Mercurial > repos > chemteam > mdanalysis_hbonds
view test-data/test.gro @ 2:d23ef0663267 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 12823af06b7926cc56aaf9b59cfea9f16d342b8c"
| author | chemteam |
|---|---|
| date | Thu, 06 Feb 2020 19:41:49 -0500 |
| parents | 5c38e38dbc35 |
| children |
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Glycine aRginine prOline Methionine Alanine Cystine Serine 61649 2SER N 1 2.371 0.440 0.529 2SER HT1 2 2.277 0.401 0.505 2SER HT2 3 2.399 0.406 0.623 2SER HT3 4 2.441 0.402 0.461 2SER CA 5 2.369 0.591 0.523 2SER HA 6 2.305 0.626 0.603 2SER CB 7 2.513 0.648 0.547 2SER HB1 8 2.550 0.611 0.645 2SER HB2 9 2.511 0.759 0.552 2SER OG 10 2.603 0.606 0.444 2SER HG1 11 2.693 0.638 0.465 2SER C 12 2.309 0.645 0.394 2SER O 13 2.229 0.574 0.331 3ALA N 14 2.342 0.767 0.352 3ALA HN 15 2.411 0.824 0.396 3ALA CA 16 2.294 0.828 0.229 3ALA HA 17 2.242 0.755 0.168 3ALA CB 18 2.201 0.948 0.258 3ALA HB1 19 2.251 1.022 0.324 3ALA HB2 20 2.109 0.913 0.308 3ALA HB3 21 2.172 0.998 0.164 3ALA C 22 2.415 0.875 0.151 3ALA O 23 2.517 0.908 0.207 4CYS N 24 2.401 0.875 0.017 4CYS HN 25 2.314 0.848 -0.026 4CYS CA 26 2.503 0.915 -0.077 4CYS HA 27 2.577 0.976 -0.027 4CYS CB 28 2.570 0.795 -0.148 4CYS HB1 29 2.626 0.829 -0.238 4CYS HB2 30 2.491 0.726 -0.185 4CYS SG 31 2.689 0.708 -0.041 4CYS C 32 2.434 1.003 -0.177 4CYS O 33 2.310 1.011 -0.185 5THR N 34 2.513 1.082 -0.251 5THR HN 35 2.612 1.073 -0.243 5THR CA 36 2.463 1.189 -0.334 5THR HA 37 2.359 1.168 -0.361 5THR CB 38 2.471 1.327 -0.267 5THR HB 39 2.436 1.406 -0.337 5THR OG1 40 2.605 1.358 -0.227 5THR HG1 41 2.654 1.352 -0.310 5THR CG2 42 2.379 1.330 -0.145 5THR HG21 43 2.413 1.259 -0.066 5THR HG22 44 2.276 1.300 -0.175 5THR HG23 45 2.375 1.431 -0.100 5THR C 46 2.539 1.190 -0.465 5THR O 47 2.581 1.296 -0.511 6LEU N 48 2.559 1.072 -0.527 6LEU HN 49 2.522 0.985 -0.489 6LEU CA 50 2.613 1.064 -0.662 6LEU HA 51 2.693 1.135 -0.673 6LEU CB 52 2.664 0.921 -0.694 6LEU HB1 53 2.704 0.919 -0.798 6LEU HB2 54 2.578 0.850 -0.687 6LEU CG 55 2.774 0.867 -0.600 6LEU HG 56 2.733 0.865 -0.496 6LEU CD1 57 2.810 0.722 -0.638 6LEU HD11 58 2.849 0.716 -0.741 6LEU HD12 59 2.718 0.658 -0.631 6LEU HD13 60 2.885 0.680 -0.568 6LEU CD2 61 2.900 0.954 -0.602 6LEU HD21 62 2.877 1.056 -0.564 6LEU HD22 63 2.939 0.964 -0.705 6LEU HD23 64 2.979 0.910 -0.538 6LEU C 65 2.505 1.102 -0.763 6LEU O 66 2.529 1.158 -0.868 7GLN N 67 2.378 1.075 -0.725 7GLN HN 68 2.357 1.024 -0.641 7GLN CA 69 2.262 1.113 -0.801 7GLN HA 70 2.291 1.166 -0.890 7GLN CB 71 2.178 0.990 -0.840 7GLN HB1 72 2.098 1.021 -0.910 7GLN HB2 73 2.128 0.948 -0.749 7GLN CG 74 2.265 0.878 -0.901 7GLN HG1 75 2.333 0.834 -0.825 7GLN HG2 76 2.327 0.921 -0.984 7GLN CD 77 2.181 0.767 -0.962 7GLN OE1 78 2.190 0.744 -1.082 7GLN NE2 79 2.097 0.701 -0.879 7GLN HE21 80 2.085 0.731 -0.785 7GLN HE22 81 2.035 0.634 -0.921 7GLN C 82 2.183 1.207 -0.712 7GLN O 83 2.176 1.194 -0.590 8SER N 84 2.125 1.313 -0.770 8SER HN 85 2.120 1.326 -0.868 8SER CA 86 2.049 1.408 -0.692 8SER HA 87 2.102 1.426 -0.599 8SER CB 88 2.035 1.544 -0.763 8SER HB1 89 2.137 1.588 -0.771 8SER HB2 90 1.971 1.615 -0.705 8SER OG 91 1.987 1.530 -0.897 8SER HG1 92 1.897 1.493 -0.894 8SER C 93 1.913 1.356 -0.653 8SER O 94 1.836 1.312 -0.739 9GLU N 95 1.878 1.361 -0.524 9GLU HN 96 1.939 1.399 -0.454 9GLU CA 97 1.747 1.325 -0.477 9GLU HA 98 1.703 1.252 -0.544 9GLU CB 99 1.749 1.263 -0.335 9GLU HB1 100 1.803 1.331 -0.266 9GLU HB2 101 1.808 1.168 -0.340 9GLU CG 102 1.609 1.230 -0.275 9GLU HG1 103 1.547 1.322 -0.264 9GLU HG2 104 1.621 1.188 -0.173 9GLU CD 105 1.533 1.126 -0.358 9GLU OE1 106 1.593 1.059 -0.442 9GLU OE2 107 1.408 1.106 -0.335 9GLU C 108 1.660 1.448 -0.481 9GLU O 109 1.694 1.553 -0.426 10THR N 110 1.548 1.441 -0.555 10THR HN 111 1.522 1.354 -0.598 10THR CA 112 1.455 1.551 -0.566 10THR HA 113 1.464 1.616 -0.480 10THR CB 114 1.471 1.632 -0.695 10THR HB 115 1.462 1.563 -0.783 10THR OG1 116 1.599 1.693 -0.700 10THR HG1 117 1.658 1.624 -0.668 10THR CG2 118 1.365 1.743 -0.706 10THR HG21 119 1.362 1.802 -0.612 10THR HG22 120 1.264 1.700 -0.724 10THR HG23 121 1.390 1.810 -0.791 10THR C 122 1.318 1.492 -0.564 10THR O 123 1.284 1.410 -0.649 11HSD N 124 1.235 1.532 -0.467 11HSD HN 125 1.265 1.597 -0.398 11HSD CA 126 1.102 1.477 -0.448 11HSD HA 127 1.105 1.370 -0.468 11HSD CB 128 1.060 1.495 -0.301 11HSD HB1 129 0.963 1.444 -0.281 11HSD HB2 130 1.048 1.603 -0.278 11HSD ND1 131 1.223 1.513 -0.106 11HSD HD1 132 1.214 1.612 -0.090 11HSD CG 133 1.161 1.439 -0.204 11HSD CE1 134 1.298 1.427 -0.033 11HSD HE1 135 1.356 1.455 0.054 11HSD NE2 136 1.288 1.304 -0.078 11HSD CD2 137 1.201 1.310 -0.185 11HSD HD2 138 1.174 1.221 -0.240 11HSD C 139 1.001 1.546 -0.538 11HSD O 140 0.996 1.671 -0.535 12PRO N 141 0.919 1.481 -0.620 12PRO CD 142 0.939 1.342 -0.663 12PRO HD1 143 0.901 1.273 -0.584 12PRO HD2 144 1.046 1.320 -0.682 12PRO CA 145 0.811 1.545 -0.693 12PRO HA 146 0.859 1.616 -0.758 12PRO CB 147 0.745 1.432 -0.774 12PRO HB1 148 0.706 1.467 -0.871 12PRO HB2 149 0.661 1.386 -0.716 12PRO CG 150 0.856 1.327 -0.790 12PRO HG1 151 0.816 1.224 -0.803 12PRO HG2 152 0.918 1.353 -0.879 12PRO C 153 0.712 1.619 -0.603 12PRO O 154 0.660 1.554 -0.513 13PRO N 155 0.682 1.749 -0.618 13PRO CD 156 0.727 1.833 -0.729 13PRO HD1 157 0.722 1.780 -0.826 13PRO HD2 158 0.832 1.864 -0.707 13PRO CA 159 0.582 1.817 -0.537 13PRO HA 160 0.605 1.803 -0.432 13PRO CB 161 0.594 1.964 -0.580 13PRO HB1 162 0.677 2.011 -0.523 13PRO HB2 163 0.501 2.021 -0.563 13PRO CG 164 0.633 1.953 -0.728 13PRO HG1 165 0.543 1.930 -0.787 13PRO HG2 166 0.680 2.046 -0.767 13PRO C 167 0.444 1.761 -0.560 13PRO O 168 0.410 1.724 -0.673 14LEU N 169 0.362 1.755 -0.454 14LEU HN 170 0.393 1.785 -0.364 14LEU CA 171 0.225 1.713 -0.465 14LEU HA 172 0.188 1.735 -0.565 14LEU CB 173 0.210 1.562 -0.435 14LEU HB1 174 0.246 1.542 -0.331 14LEU HB2 175 0.278 1.506 -0.504 14LEU CG 176 0.068 1.504 -0.450 14LEU HG 177 -0.002 1.560 -0.384 14LEU CD1 178 0.017 1.514 -0.595 14LEU HD11 179 0.087 1.464 -0.665 14LEU HD12 180 0.006 1.620 -0.626 14LEU HD13 181 -0.082 1.465 -0.604 14LEU CD2 182 0.066 1.357 -0.405 14LEU HD21 183 0.103 1.348 -0.301 14LEU HD22 184 0.131 1.295 -0.472 14LEU HD23 185 -0.037 1.317 -0.410 14LEU C 186 0.144 1.796 -0.369 14LEU O 187 0.174 1.806 -0.250 15THR N 188 0.039 1.863 -0.419 15THR HN 189 0.015 1.860 -0.516 15THR CA 190 -0.046 1.946 -0.335 15THR HA 191 0.007 1.970 -0.244 15THR CB 192 -0.086 2.080 -0.395 15THR HB 193 -0.146 2.137 -0.320 15THR OG1 194 -0.162 2.070 -0.515 15THR HG1 195 -0.194 2.160 -0.529 15THR CG2 196 0.041 2.160 -0.426 15THR HG21 197 0.103 2.109 -0.502 15THR HG22 198 0.101 2.174 -0.334 15THR HG23 199 0.015 2.261 -0.465 15THR C 200 -0.169 1.869 -0.292 15THR O 201 -0.210 1.770 -0.352 16TRP N 202 -0.229 1.913 -0.181 16TRP HN 203 -0.196 1.993 -0.132 16TRP CA 204 -0.343 1.846 -0.123 16TRP HA 205 -0.409 1.815 -0.203 16TRP CB 206 -0.303 1.720 -0.040 16TRP HB1 207 -0.257 1.648 -0.110 16TRP HB2 208 -0.394 1.672 -0.001 16TRP CG 209 -0.207 1.742 0.074 16TRP CD1 210 -0.070 1.755 0.066 16TRP HD1 211 -0.014 1.753 -0.027 16TRP NE1 212 -0.019 1.769 0.192 16TRP HE1 213 0.076 1.775 0.218 16TRP CE2 214 -0.119 1.763 0.284 16TRP CD2 215 -0.240 1.745 0.214 16TRP CE3 216 -0.360 1.734 0.284 16TRP HE3 217 -0.454 1.719 0.233 16TRP CZ3 218 -0.357 1.742 0.424 16TRP HZ3 219 -0.449 1.732 0.479 16TRP CZ2 220 -0.116 1.770 0.423 16TRP HZ2 221 -0.022 1.783 0.475 16TRP CH2 222 -0.236 1.758 0.492 16TRP HH2 223 -0.235 1.758 0.600 16TRP C 224 -0.418 1.950 -0.044 16TRP O 225 -0.373 2.065 -0.031 17GLN N 226 -0.537 1.917 0.006 17GLN HN 227 -0.573 1.824 -0.010 17GLN CA 228 -0.626 2.010 0.072 17GLN HA 229 -0.583 2.109 0.073 17GLN CB 230 -0.764 2.012 0.003 17GLN HB1 231 -0.837 2.069 0.065 17GLN HB2 232 -0.800 1.908 -0.003 17GLN CG 233 -0.764 2.073 -0.139 17GLN HG1 234 -0.863 2.058 -0.185 17GLN HG2 235 -0.689 2.021 -0.202 17GLN CD 236 -0.738 2.223 -0.135 17GLN OE1 237 -0.808 2.295 -0.063 17GLN NE2 238 -0.642 2.274 -0.215 17GLN HE21 239 -0.634 2.374 -0.218 17GLN HE22 240 -0.592 2.214 -0.277 17GLN C 241 -0.647 1.969 0.217 17GLN O 242 -0.672 1.854 0.247 18LYS N 243 -0.643 2.068 0.308 18LYS HN 244 -0.622 2.162 0.282 18LYS CA 245 -0.681 2.044 0.446 18LYS HA 246 -0.704 1.939 0.461 18LYS CB 247 -0.572 2.082 0.548 18LYS HB1 248 -0.557 2.193 0.548 18LYS HB2 249 -0.477 2.036 0.513 18LYS CG 250 -0.602 2.029 0.689 18LYS HG1 251 -0.599 1.918 0.685 18LYS HG2 252 -0.706 2.058 0.719 18LYS CD 253 -0.505 2.082 0.795 18LYS HD1 254 -0.524 2.191 0.804 18LYS HD2 255 -0.400 2.071 0.761 18LYS CE 256 -0.523 2.022 0.936 18LYS HE1 257 -0.629 2.030 0.967 18LYS HE2 258 -0.460 2.078 1.007 18LYS NZ 259 -0.484 1.879 0.943 18LYS HZ1 260 -0.382 1.870 0.916 18LYS HZ2 261 -0.543 1.823 0.879 18LYS HZ3 262 -0.494 1.842 1.040 18LYS C 263 -0.807 2.123 0.471 18LYS O 264 -0.810 2.247 0.457 19CYS N 265 -0.916 2.053 0.503 19CYS HN 266 -0.908 1.953 0.517 19CYS CA 267 -1.048 2.108 0.522 19CYS HA 268 -1.051 2.208 0.481 19CYS CB 269 -1.156 2.025 0.449 19CYS HB1 270 -1.257 2.069 0.465 19CYS HB2 271 -1.158 1.922 0.492 19CYS SG 272 -1.125 2.012 0.271 19CYS C 273 -1.080 2.122 0.669 19CYS O 274 -1.012 2.070 0.757 20SER N 275 -1.184 2.200 0.700 20SER HN 276 -1.239 2.242 0.628 20SER CA 277 -1.219 2.236 0.835 20SER HA 278 -1.175 2.165 0.905 20SER CB 279 -1.174 2.380 0.870 20SER HB1 280 -1.064 2.388 0.858 20SER HB2 281 -1.197 2.404 0.976 20SER OG 282 -1.238 2.478 0.788 20SER HG1 283 -1.200 2.474 0.699 20SER C 284 -1.368 2.228 0.854 20SER O 285 -1.447 2.229 0.760 21SER N 286 -1.412 2.226 0.981 21SER HN 287 -1.350 2.226 1.059 21SER CA 288 -1.552 2.220 1.019 21SER HA 289 -1.601 2.146 0.956 21SER CB 290 -1.566 2.177 1.167 21SER HB1 291 -1.521 2.076 1.178 21SER HB2 292 -1.673 2.169 1.196 21SER OG 293 -1.495 2.268 1.252 21SER HG1 294 -1.550 2.347 1.260 21SER C 295 -1.625 2.352 1.000 21SER O 296 -1.746 2.360 1.013 22GLY N 297 -1.549 2.461 0.971 22GLY HN 298 -1.450 2.451 0.966 22GLY CA 299 -1.604 2.591 0.933 22GLY HA1 300 -1.523 2.663 0.936 22GLY HA2 301 -1.686 2.617 0.999 22GLY C 302 -1.657 2.591 0.792 22GLY O 303 -1.741 2.674 0.755 23GLY N 304 -1.610 2.497 0.709 23GLY HN 305 -1.542 2.431 0.744 23GLY CA 306 -1.661 2.475 0.575 23GLY HA1 307 -1.756 2.525 0.561 23GLY HA2 308 -1.668 2.368 0.561 23GLY C 309 -1.567 2.526 0.470 23GLY O 310 -1.609 2.554 0.358 24THR N 311 -1.439 2.539 0.503 24THR HN 312 -1.408 2.519 0.596 24THR CA 313 -1.336 2.591 0.415 24THR HA 314 -1.376 2.602 0.315 24THR CB 315 -1.277 2.725 0.458 24THR HB 316 -1.189 2.753 0.396 24THR OG1 317 -1.238 2.724 0.595 24THR HG1 318 -1.215 2.816 0.618 24THR CG2 319 -1.386 2.832 0.441 24THR HG21 320 -1.471 2.813 0.510 24THR HG22 321 -1.424 2.830 0.337 24THR HG23 322 -1.345 2.933 0.461 24THR C 323 -1.224 2.490 0.406 24THR O 324 -1.196 2.416 0.499 25CYS N 325 -1.157 2.486 0.288 25CYS HN 326 -1.183 2.544 0.212 25CYS CA 327 -1.039 2.406 0.269 25CYS HA 328 -1.008 2.363 0.362 25CYS CB 329 -1.057 2.294 0.163 25CYS HB1 330 -0.964 2.233 0.157 25CYS HB2 331 -1.072 2.342 0.064 25CYS SG 332 -1.200 2.185 0.194 25CYS C 333 -0.928 2.498 0.227 25CYS O 334 -0.952 2.611 0.179 26THR N 335 -0.804 2.457 0.250 26THR HN 336 -0.789 2.365 0.288 26THR CA 337 -0.684 2.536 0.227 26THR HA 338 -0.705 2.612 0.154 26THR CB 339 -0.625 2.599 0.354 26THR HB 340 -0.522 2.639 0.334 26THR OG1 341 -0.621 2.507 0.463 26THR HG1 342 -0.702 2.456 0.454 26THR CG2 343 -0.715 2.715 0.397 26THR HG21 344 -0.816 2.679 0.426 26THR HG22 345 -0.728 2.788 0.314 26THR HG23 346 -0.670 2.768 0.484 26THR C 347 -0.579 2.444 0.168 26THR O 348 -0.559 2.334 0.215 27GLN N 349 -0.511 2.490 0.059 27GLN HN 350 -0.537 2.576 0.015 27GLN CA 351 -0.401 2.414 0.002 27GLN HA 352 -0.441 2.315 -0.018 27GLN CB 353 -0.355 2.470 -0.136 27GLN HB1 354 -0.321 2.574 -0.122 27GLN HB2 355 -0.445 2.473 -0.202 27GLN CG 356 -0.243 2.386 -0.204 27GLN HG1 357 -0.276 2.280 -0.209 27GLN HG2 358 -0.149 2.390 -0.146 27GLN CD 359 -0.212 2.431 -0.347 27GLN OE1 360 -0.234 2.360 -0.445 27GLN NE2 361 -0.156 2.553 -0.360 27GLN HE21 362 -0.128 2.582 -0.451 27GLN HE22 363 -0.123 2.601 -0.279 27GLN C 364 -0.283 2.392 0.096 27GLN O 365 -0.239 2.480 0.170 28GLN N 366 -0.229 2.270 0.093 28GLN HN 367 -0.271 2.199 0.035 28GLN CA 368 -0.111 2.228 0.162 28GLN HA 369 -0.066 2.310 0.217 28GLN CB 370 -0.140 2.106 0.252 28GLN HB1 371 -0.049 2.081 0.312 28GLN HB2 372 -0.163 2.018 0.188 28GLN CG 373 -0.261 2.123 0.348 28GLN HG1 374 -0.270 2.030 0.408 28GLN HG2 375 -0.354 2.134 0.289 28GLN CD 376 -0.245 2.240 0.445 28GLN OE1 377 -0.160 2.240 0.533 28GLN NE2 378 -0.333 2.343 0.434 28GLN HE21 379 -0.397 2.346 0.357 28GLN HE22 380 -0.324 2.418 0.498 28GLN C 381 -0.017 2.185 0.051 28GLN O 382 -0.061 2.140 -0.055 29THR N 383 0.115 2.199 0.070 29THR HN 384 0.152 2.230 0.157 29THR CA 385 0.212 2.159 -0.032 29THR HA 386 0.163 2.109 -0.114 29THR CB 387 0.293 2.276 -0.087 29THR HB 388 0.352 2.325 -0.007 29THR OG1 389 0.206 2.374 -0.144 29THR HG1 390 0.141 2.392 -0.075 29THR CG2 391 0.387 2.227 -0.199 29THR HG21 392 0.331 2.174 -0.278 29THR HG22 393 0.464 2.158 -0.159 29THR HG23 394 0.440 2.313 -0.245 29THR C 395 0.307 2.060 0.031 29THR O 396 0.377 2.093 0.126 30GLY N 397 0.308 1.936 -0.022 30GLY HN 398 0.253 1.913 -0.102 30GLY CA 399 0.398 1.830 0.020 30GLY HA1 400 0.337 1.747 0.053 30GLY HA2 401 0.468 1.864 0.094 30GLY C 402 0.476 1.783 -0.099 30GLY O 403 0.488 1.852 -0.201 31SER N 404 0.530 1.662 -0.092 31SER HN 405 0.521 1.604 -0.011 31SER CA 406 0.607 1.603 -0.200 31SER HA 407 0.555 1.621 -0.293 31SER CB 408 0.753 1.657 -0.211 31SER HB1 409 0.748 1.765 -0.233 31SER HB2 410 0.805 1.607 -0.295 31SER OG 411 0.826 1.639 -0.089 31SER HG1 412 0.916 1.671 -0.101 31SER C 413 0.603 1.454 -0.178 31SER O 414 0.555 1.409 -0.075 32VAL N 415 0.646 1.373 -0.277 32VAL HN 416 0.681 1.410 -0.362 32VAL CA 417 0.645 1.228 -0.266 32VAL HA 418 0.610 1.200 -0.168 32VAL CB 419 0.554 1.157 -0.367 32VAL HB 420 0.564 1.047 -0.354 32VAL CG1 421 0.407 1.194 -0.337 32VAL HG11 422 0.390 1.303 -0.350 32VAL HG12 423 0.382 1.166 -0.232 32VAL HG13 424 0.339 1.139 -0.405 32VAL CG2 425 0.591 1.192 -0.513 32VAL HG21 426 0.695 1.163 -0.536 32VAL HG22 427 0.580 1.301 -0.530 32VAL HG23 428 0.524 1.139 -0.583 32VAL C 429 0.786 1.172 -0.275 32VAL O 430 0.870 1.224 -0.348 33VAL N 431 0.814 1.066 -0.198 33VAL HN 432 0.745 1.028 -0.136 33VAL CA 433 0.944 1.003 -0.193 33VAL HA 434 1.005 1.041 -0.274 33VAL CB 435 1.018 1.031 -0.063 33VAL HB 436 1.032 1.142 -0.058 33VAL CG1 437 0.937 0.988 0.060 33VAL HG11 438 0.927 0.878 0.064 33VAL HG12 439 0.835 1.034 0.061 33VAL HG13 440 0.989 1.021 0.152 33VAL CG2 441 1.158 0.967 -0.060 33VAL HG21 442 1.219 1.002 -0.146 33VAL HG22 443 1.152 0.856 -0.059 33VAL HG23 444 1.210 0.999 0.033 33VAL C 445 0.930 0.855 -0.218 33VAL O 446 0.839 0.790 -0.165 34ILE N 447 1.015 0.797 -0.305 34ILE HN 448 1.086 0.851 -0.350 34ILE CA 449 1.013 0.654 -0.335 34ILE HA 450 0.910 0.622 -0.329 34ILE CB 451 1.063 0.621 -0.475 34ILE HB 452 1.012 0.692 -0.545 34ILE CG2 453 1.215 0.644 -0.488 34ILE HG21 454 1.272 0.571 -0.426 34ILE HG22 455 1.243 0.747 -0.455 34ILE HG23 456 1.248 0.632 -0.593 34ILE CG1 457 1.021 0.479 -0.521 34ILE HG11 458 0.914 0.464 -0.495 34ILE HG12 459 1.079 0.403 -0.464 34ILE CD 460 1.037 0.455 -0.671 34ILE HD1 461 1.144 0.460 -0.701 34ILE HD2 462 0.981 0.531 -0.729 34ILE HD3 463 0.998 0.354 -0.699 34ILE C 464 1.086 0.575 -0.227 34ILE O 465 1.186 0.617 -0.171 35ASP N 466 1.030 0.455 -0.198 35ASP HN 467 0.944 0.428 -0.241 35ASP CA 468 1.082 0.359 -0.103 35ASP HA 469 1.084 0.409 -0.007 35ASP CB 470 0.983 0.241 -0.093 35ASP HB1 471 0.967 0.195 -0.192 35ASP HB2 472 0.884 0.279 -0.058 35ASP CG 473 1.028 0.134 0.004 35ASP OD1 474 1.085 0.031 -0.040 35ASP OD2 475 1.009 0.156 0.126 35ASP C 476 1.226 0.316 -0.130 35ASP O 477 1.276 0.311 -0.243 36ALA N 478 1.299 0.284 -0.022 36ALA HN 479 1.253 0.284 0.068 36ALA CA 480 1.438 0.248 -0.022 36ALA HA 481 1.492 0.332 -0.064 36ALA CB 482 1.485 0.226 0.123 36ALA HB1 483 1.430 0.142 0.169 36ALA HB2 484 1.465 0.318 0.183 36ALA HB3 485 1.594 0.205 0.126 36ALA C 486 1.472 0.127 -0.109 36ALA O 487 1.579 0.122 -0.169 37ASN N 488 1.382 0.026 -0.119 37ASN HN 489 1.292 0.033 -0.074 37ASN CA 490 1.406 -0.093 -0.200 37ASN HA 491 1.499 -0.136 -0.165 37ASN CB 492 1.292 -0.198 -0.189 37ASN HB1 493 1.292 -0.266 -0.276 37ASN HB2 494 1.193 -0.147 -0.184 37ASN CG 495 1.312 -0.286 -0.065 37ASN OD1 496 1.399 -0.265 0.018 37ASN ND2 497 1.234 -0.398 -0.062 37ASN HD21 498 1.246 -0.464 0.012 37ASN HD22 499 1.170 -0.416 -0.135 37ASN C 500 1.432 -0.066 -0.348 37ASN O 501 1.516 -0.131 -0.409 38TRP N 502 1.360 0.033 -0.407 38TRP HN 503 1.297 0.086 -0.351 38TRP CA 504 1.372 0.071 -0.547 38TRP HA 505 1.368 -0.019 -0.607 38TRP CB 506 1.254 0.164 -0.586 38TRP HB1 507 1.281 0.225 -0.675 38TRP HB2 508 1.235 0.236 -0.503 38TRP CG 509 1.126 0.093 -0.620 38TRP CD1 510 1.080 0.072 -0.747 38TRP HD1 511 1.131 0.106 -0.837 38TRP NE1 512 0.961 0.004 -0.744 38TRP HE1 513 0.903 -0.017 -0.820 38TRP CE2 514 0.928 -0.021 -0.614 38TRP CD2 515 1.029 0.033 -0.532 38TRP CE3 516 1.019 0.021 -0.394 38TRP HE3 517 1.092 0.063 -0.326 38TRP CZ3 518 0.908 -0.045 -0.341 38TRP HZ3 519 0.899 -0.055 -0.233 38TRP CZ2 520 0.818 -0.087 -0.562 38TRP HZ2 521 0.741 -0.129 -0.626 38TRP CH2 522 0.809 -0.099 -0.423 38TRP HH2 523 0.725 -0.149 -0.378 38TRP C 524 1.503 0.140 -0.580 38TRP O 525 1.547 0.144 -0.695 39ARG N 526 1.569 0.198 -0.479 39ARG HN 527 1.533 0.189 -0.386 39ARG CA 528 1.693 0.270 -0.493 39ARG HA 529 1.679 0.337 -0.577 39ARG CB 530 1.723 0.357 -0.369 39ARG HB1 531 1.817 0.415 -0.386 39ARG HB2 532 1.740 0.291 -0.281 39ARG CG 533 1.612 0.458 -0.339 39ARG HG1 534 1.515 0.404 -0.322 39ARG HG2 535 1.598 0.524 -0.428 39ARG CD 536 1.640 0.544 -0.216 39ARG HD1 537 1.737 0.598 -0.224 39ARG HD2 538 1.644 0.480 -0.124 39ARG NE 539 1.525 0.641 -0.203 39ARG HE 540 1.448 0.614 -0.147 39ARG CZ 541 1.521 0.758 -0.264 39ARG NH1 542 1.612 0.807 -0.339 39ARG HH11 543 1.696 0.753 -0.358 39ARG HH12 544 1.600 0.900 -0.380 39ARG NH2 545 1.410 0.834 -0.243 39ARG HH21 546 1.412 0.929 -0.276 39ARG HH22 547 1.336 0.797 -0.190 39ARG C 548 1.814 0.185 -0.526 39ARG O 549 1.827 0.067 -0.494 40TRP N 550 1.913 0.250 -0.592 40TRP HN 551 1.898 0.344 -0.621 40TRP CA 552 2.049 0.203 -0.596 40TRP HA 553 2.048 0.102 -0.635 40TRP CB 554 2.132 0.295 -0.690 40TRP HB1 555 2.133 0.396 -0.644 40TRP HB2 556 2.079 0.304 -0.787 40TRP CG 557 2.274 0.256 -0.720 40TRP CD1 558 2.329 0.129 -0.727 40TRP HD1 559 2.275 0.037 -0.706 40TRP NE1 560 2.460 0.139 -0.766 40TRP HE1 561 2.525 0.064 -0.777 40TRP CE2 562 2.493 0.270 -0.784 40TRP CD2 563 2.379 0.347 -0.757 40TRP CE3 564 2.385 0.486 -0.770 40TRP HE3 565 2.300 0.549 -0.746 40TRP CZ3 566 2.506 0.544 -0.809 40TRP HZ3 567 2.513 0.652 -0.814 40TRP CZ2 568 2.613 0.327 -0.823 40TRP HZ2 569 2.700 0.267 -0.843 40TRP CH2 570 2.618 0.466 -0.836 40TRP HH2 571 2.710 0.515 -0.865 40TRP C 572 2.111 0.199 -0.457 40TRP O 573 2.095 0.292 -0.377 41THR N 574 2.181 0.090 -0.424 41THR HN 575 2.187 0.012 -0.487 41THR CA 576 2.248 0.072 -0.297 41THR HA 577 2.247 0.164 -0.241 41THR CB 578 2.189 -0.041 -0.212 41THR HB 579 2.206 -0.140 -0.261 41THR OG1 580 2.048 -0.026 -0.199 41THR HG1 581 2.016 -0.005 -0.288 41THR CG2 582 2.248 -0.039 -0.071 41THR HG21 583 2.222 0.056 -0.020 41THR HG22 584 2.359 -0.048 -0.073 41THR HG23 585 2.207 -0.124 -0.012 41THR C 586 2.391 0.034 -0.330 41THR O 587 2.418 -0.060 -0.401 42HSD N 588 2.487 0.112 -0.276 42HSD HN 589 2.466 0.186 -0.213 42HSD CA 590 2.626 0.095 -0.313 42HSD HA 591 2.647 -0.009 -0.330 42HSD CB 592 2.663 0.176 -0.440 42HSD HB1 593 2.598 0.142 -0.523 42HSD HB2 594 2.768 0.158 -0.470 42HSD ND1 595 2.739 0.414 -0.384 42HSD HD1 596 2.832 0.391 -0.348 42HSD CG 597 2.642 0.323 -0.423 42HSD CE1 598 2.684 0.535 -0.388 42HSD HE1 599 2.736 0.628 -0.360 42HSD NE2 600 2.559 0.531 -0.428 42HSD CD2 601 2.533 0.399 -0.451 42HSD HD2 602 2.434 0.368 -0.485 42HSD C 603 2.709 0.136 -0.195 42HSD O 604 2.658 0.188 -0.096 43ALA N 605 2.840 0.106 -0.200 43ALA HN 606 2.875 0.055 -0.279 43ALA CA 607 2.936 0.143 -0.099 43ALA HA 608 2.900 0.101 -0.007 43ALA CB 609 3.074 0.082 -0.131 43ALA HB1 610 3.113 0.125 -0.225 43ALA HB2 611 3.065 -0.028 -0.142 43ALA HB3 612 3.146 0.103 -0.048 43ALA C 613 2.950 0.293 -0.077 43ALA O 614 2.931 0.375 -0.168 44THR N 615 2.987 0.335 0.043 44THR HN 616 3.004 0.271 0.119 44THR CA 617 2.998 0.477 0.079 44THR HA 618 2.908 0.526 0.045 44THR CB 619 3.010 0.498 0.229 44THR HB 620 3.037 0.602 0.254 44THR OG1 621 3.105 0.407 0.285 44THR HG1 622 3.099 0.415 0.380 44THR CG2 623 2.873 0.466 0.292 44THR HG21 624 2.840 0.363 0.268 44THR HG22 625 2.797 0.537 0.252 44THR HG23 626 2.877 0.476 0.402 44THR C 627 3.114 0.548 0.011 44THR O 628 3.115 0.671 -0.002 45ASN N 629 3.215 0.472 -0.035 45ASN HN 630 3.209 0.373 -0.023 45ASN CA 631 3.338 0.525 -0.090 45ASN HA 632 3.341 0.632 -0.078 45ASN CB 633 3.457 0.463 -0.011 45ASN HB1 634 3.448 0.498 0.094 45ASN HB2 635 3.553 0.501 -0.051 45ASN CG 636 3.460 0.310 -0.012 45ASN OD1 637 3.392 0.241 -0.089 45ASN ND2 638 3.539 0.254 0.082 45ASN HD21 639 3.530 0.154 0.093 45ASN HD22 640 3.573 0.310 0.157 45ASN C 641 3.352 0.498 -0.240 45ASN O 642 3.450 0.537 -0.304 46SER N 643 3.254 0.432 -0.303 46SER HN 644 3.169 0.407 -0.257 46SER CA 645 3.270 0.387 -0.440 46SER HA 646 3.310 0.469 -0.498 46SER CB 647 3.364 0.264 -0.458 46SER HB1 648 3.466 0.292 -0.424 46SER HB2 649 3.372 0.235 -0.565 46SER OG 650 3.319 0.152 -0.382 46SER HG1 651 3.342 0.173 -0.289 46SER C 652 3.134 0.358 -0.497 46SER O 653 3.033 0.361 -0.428 47SER N 654 3.126 0.330 -0.627 47SER HN 655 3.205 0.325 -0.687 47SER CA 656 3.001 0.303 -0.696 47SER HA 657 2.918 0.348 -0.644 47SER CB 658 3.010 0.361 -0.839 47SER HB1 659 3.018 0.471 -0.830 47SER HB2 660 2.918 0.339 -0.899 47SER OG 661 3.126 0.312 -0.907 47SER HG1 662 3.102 0.225 -0.942 47SER C 663 2.976 0.154 -0.703 47SER O 664 2.898 0.106 -0.785 48THR N 665 3.045 0.076 -0.617 48THR HN 666 3.099 0.121 -0.546 48THR CA 667 3.034 -0.069 -0.610 48THR HA 668 3.033 -0.108 -0.711 48THR CB 669 3.148 -0.135 -0.532 48THR HB 670 3.142 -0.109 -0.424 48THR OG1 671 3.275 -0.090 -0.579 48THR HG1 672 3.279 0.004 -0.560 48THR CG2 673 3.145 -0.288 -0.549 48THR HG21 674 3.148 -0.315 -0.656 48THR HG22 675 3.054 -0.332 -0.503 48THR HG23 676 3.234 -0.333 -0.499 48THR C 677 2.906 -0.105 -0.541 48THR O 678 2.884 -0.066 -0.426 49ASN N 679 2.816 -0.178 -0.609 49ASN HN 680 2.834 -0.203 -0.704 49ASN CA 681 2.688 -0.219 -0.553 49ASN HA 682 2.636 -0.129 -0.524 49ASN CB 683 2.599 -0.297 -0.653 49ASN HB1 684 2.511 -0.340 -0.600 49ASN HB2 685 2.656 -0.382 -0.697 49ASN CG 686 2.547 -0.209 -0.767 49ASN OD1 687 2.612 -0.116 -0.815 49ASN ND2 688 2.422 -0.236 -0.811 49ASN HD21 689 2.371 -0.313 -0.771 49ASN HD22 690 2.384 -0.183 -0.886 49ASN C 691 2.703 -0.304 -0.426 49ASN O 692 2.790 -0.389 -0.413 50CYS N 693 2.612 -0.281 -0.328 50CYS HN 694 2.546 -0.207 -0.337 50CYS CA 695 2.604 -0.368 -0.212 50CYS HA 696 2.696 -0.423 -0.197 50CYS CB 697 2.571 -0.287 -0.083 50CYS HB1 698 2.551 -0.358 0.000 50CYS HB2 699 2.479 -0.228 -0.100 50CYS SG 700 2.707 -0.178 -0.035 50CYS C 701 2.494 -0.469 -0.231 50CYS O 702 2.489 -0.572 -0.164 51TYR N 703 2.405 -0.443 -0.329 51TYR HN 704 2.413 -0.361 -0.384 51TYR CA 705 2.299 -0.531 -0.367 51TYR HA 706 2.326 -0.634 -0.348 51TYR CB 707 2.169 -0.493 -0.291 51TYR HB1 708 2.141 -0.388 -0.313 51TYR HB2 709 2.188 -0.501 -0.182 51TYR CG 710 2.053 -0.583 -0.325 51TYR CD1 711 2.028 -0.699 -0.249 51TYR HD1 712 2.096 -0.726 -0.170 51TYR CE1 713 1.916 -0.778 -0.275 51TYR HE1 714 1.898 -0.866 -0.215 51TYR CZ 715 1.826 -0.742 -0.375 51TYR OH 716 1.707 -0.816 -0.394 51TYR HH 717 1.654 -0.774 -0.463 51TYR CD2 718 1.963 -0.550 -0.428 51TYR HD2 719 1.983 -0.463 -0.489 51TYR CE2 720 1.850 -0.628 -0.453 51TYR HE2 721 1.781 -0.603 -0.532 51TYR C 722 2.286 -0.515 -0.517 51TYR O 723 2.274 -0.402 -0.567 52ASP N 724 2.289 -0.624 -0.594 52ASP HN 725 2.297 -0.716 -0.554 52ASP CA 726 2.274 -0.619 -0.738 52ASP HA 727 2.208 -0.536 -0.762 52ASP CB 728 2.410 -0.605 -0.812 52ASP HB1 729 2.462 -0.703 -0.818 52ASP HB2 730 2.476 -0.538 -0.753 52ASP CG 731 2.399 -0.545 -0.951 52ASP OD1 732 2.283 -0.513 -0.995 52ASP OD2 733 2.500 -0.526 -1.018 52ASP C 734 2.200 -0.747 -0.775 52ASP O 735 2.226 -0.855 -0.722 53GLY N 736 2.102 -0.739 -0.867 53GLY HN 737 2.092 -0.654 -0.919 53GLY CA 738 2.007 -0.848 -0.888 53GLY HA1 739 2.062 -0.938 -0.911 53GLY HA2 740 1.941 -0.819 -0.969 53GLY C 741 1.921 -0.877 -0.768 53GLY O 742 1.852 -0.787 -0.717 54ASN N 743 1.920 -1.003 -0.720 54ASN HN 744 1.971 -1.077 -0.764 54ASN CA 745 1.845 -1.046 -0.603 54ASN HA 746 1.794 -0.961 -0.562 54ASN CB 747 1.736 -1.151 -0.638 54ASN HB1 748 1.657 -1.099 -0.696 54ASN HB2 749 1.690 -1.190 -0.545 54ASN CG 750 1.783 -1.270 -0.720 54ASN OD1 751 1.903 -1.287 -0.751 54ASN ND2 752 1.688 -1.354 -0.764 54ASN HD21 753 1.591 -1.338 -0.742 54ASN HD22 754 1.715 -1.440 -0.805 54ASN C 755 1.938 -1.092 -0.491 54ASN O 756 1.898 -1.164 -0.400 55THR N 757 2.065 -1.050 -0.495 55THR HN 758 2.096 -0.987 -0.567 55THR CA 759 2.167 -1.095 -0.402 55THR HA 760 2.119 -1.139 -0.316 55THR CB 761 2.264 -1.199 -0.460 55THR HB 762 2.356 -1.210 -0.398 55THR OG1 763 2.299 -1.168 -0.594 55THR HG1 764 2.338 -1.079 -0.594 55THR CG2 765 2.192 -1.335 -0.460 55THR HG21 766 2.104 -1.334 -0.527 55THR HG22 767 2.157 -1.361 -0.358 55THR HG23 768 2.260 -1.416 -0.495 55THR C 769 2.247 -0.980 -0.348 55THR O 770 2.267 -0.877 -0.412 56TRP N 771 2.298 -0.996 -0.225 56TRP HN 772 2.282 -1.079 -0.174 56TRP CA 773 2.385 -0.899 -0.162 56TRP HA 774 2.362 -0.800 -0.199 56TRP CB 775 2.372 -0.900 -0.007 56TRP HB1 776 2.447 -0.832 0.038 56TRP HB2 777 2.393 -1.002 0.031 56TRP CG 778 2.237 -0.857 0.043 56TRP CD1 779 2.128 -0.936 0.067 56TRP HD1 780 2.122 -1.042 0.047 56TRP NE1 781 2.026 -0.859 0.120 56TRP HE1 782 1.936 -0.888 0.142 56TRP CE2 783 2.070 -0.730 0.132 56TRP CD2 784 2.202 -0.724 0.084 56TRP CE3 785 2.271 -0.603 0.086 56TRP HE3 786 2.373 -0.595 0.052 56TRP CZ3 787 2.205 -0.489 0.134 56TRP HZ3 788 2.257 -0.394 0.137 56TRP CZ2 789 2.006 -0.618 0.184 56TRP HZ2 790 1.906 -0.625 0.222 56TRP CH2 791 2.076 -0.497 0.184 56TRP HH2 792 2.029 -0.408 0.224 56TRP C 793 2.530 -0.927 -0.196 56TRP O 794 2.570 -1.039 -0.225 57SER N 795 2.614 -0.822 -0.189 57SER HN 796 2.577 -0.731 -0.170 57SER CA 797 2.759 -0.836 -0.192 57SER HA 798 2.785 -0.901 -0.273 57SER CB 799 2.829 -0.699 -0.213 57SER HB1 800 2.798 -0.630 -0.131 57SER HB2 801 2.793 -0.655 -0.309 57SER OG 802 2.971 -0.711 -0.215 57SER HG1 803 2.993 -0.761 -0.295 57SER C 804 2.811 -0.899 -0.064 57SER O 805 2.783 -0.852 0.046 58SER N 806 2.889 -1.007 -0.073 58SER HN 807 2.920 -1.045 -0.160 58SER CA 808 2.932 -1.080 0.045 58SER HA 809 2.850 -1.084 0.116 58SER CB 810 2.969 -1.227 0.010 58SER HB1 811 2.877 -1.277 -0.026 58SER HB2 812 3.003 -1.281 0.102 58SER OG 813 3.069 -1.236 -0.092 58SER HG1 814 3.093 -1.329 -0.093 58SER C 815 3.048 -1.015 0.118 58SER O 816 3.070 -1.036 0.237 59THR N 817 3.124 -0.928 0.048 59THR HN 818 3.107 -0.912 -0.049 59THR CA 819 3.240 -0.861 0.105 59THR HA 820 3.281 -0.920 0.186 59THR CB 821 3.350 -0.839 0.001 59THR HB 822 3.431 -0.775 0.041 59THR OG1 823 3.295 -0.782 -0.118 59THR HG1 824 3.366 -0.741 -0.168 59THR CG2 825 3.411 -0.975 -0.037 59THR HG21 826 3.333 -1.042 -0.082 59THR HG22 827 3.451 -1.025 0.054 59THR HG23 828 3.493 -0.962 -0.110 59THR C 829 3.205 -0.725 0.163 59THR O 830 3.271 -0.676 0.254 60LEU N 831 3.098 -0.660 0.112 60LEU HN 832 3.053 -0.695 0.030 60LEU CA 833 3.050 -0.535 0.168 60LEU HA 834 3.130 -0.484 0.219 60LEU CB 835 2.992 -0.442 0.058 60LEU HB1 836 2.942 -0.353 0.104 60LEU HB2 837 2.915 -0.498 0.001 60LEU CG 838 3.098 -0.388 -0.041 60LEU HG 839 3.159 -0.475 -0.077 60LEU CD1 840 3.030 -0.326 -0.164 60LEU HD11 841 2.968 -0.238 -0.134 60LEU HD12 842 2.963 -0.400 -0.213 60LEU HD13 843 3.105 -0.292 -0.238 60LEU CD2 844 3.191 -0.286 0.026 60LEU HD21 845 3.244 -0.331 0.113 60LEU HD22 846 3.132 -0.199 0.063 60LEU HD23 847 3.267 -0.250 -0.045 60LEU C 848 2.942 -0.558 0.271 60LEU O 849 2.922 -0.476 0.360 61CYS N 850 2.874 -0.675 0.264 61CYS HN 851 2.893 -0.741 0.192 61CYS CA 852 2.765 -0.710 0.353 61CYS HA 853 2.767 -0.647 0.440 61CYS CB 854 2.628 -0.690 0.283 61CYS HB1 855 2.546 -0.724 0.350 61CYS HB2 856 2.621 -0.753 0.191 61CYS SG 857 2.603 -0.516 0.238 61CYS C 858 2.780 -0.853 0.402 61CYS O 859 2.703 -0.942 0.361 62PRO N 860 2.875 -0.885 0.489 62PRO CD 861 2.985 -0.797 0.531 62PRO HD1 862 2.947 -0.698 0.565 62PRO HD2 863 3.055 -0.784 0.445 62PRO CA 864 2.884 -1.016 0.552 62PRO HA 865 2.868 -1.093 0.477 62PRO CB 866 3.026 -1.018 0.610 62PRO HB1 867 3.096 -1.052 0.529 62PRO HB2 868 3.038 -1.086 0.697 62PRO CG 869 3.056 -0.872 0.644 62PRO HG1 870 3.011 -0.846 0.742 62PRO HG2 871 3.165 -0.851 0.647 62PRO C 872 2.777 -1.035 0.660 62PRO O 873 2.736 -1.147 0.686 63ASP N 874 2.740 -0.926 0.730 63ASP HN 875 2.781 -0.838 0.711 63ASP CA 876 2.642 -0.925 0.836 63ASP HA 877 2.570 -1.005 0.818 63ASP CB 878 2.708 -0.944 0.976 63ASP HB1 879 2.753 -1.045 0.980 63ASP HB2 880 2.630 -0.941 1.055 63ASP CG 881 2.816 -0.842 1.007 63ASP OD1 882 2.935 -0.876 1.005 63ASP OD2 883 2.782 -0.720 1.031 63ASP C 884 2.563 -0.796 0.828 63ASP O 885 2.601 -0.701 0.758 64ASN N 886 2.449 -0.792 0.898 64ASN HN 887 2.422 -0.871 0.955 64ASN CA 888 2.355 -0.681 0.896 64ASN HA 889 2.323 -0.668 0.793 64ASN CB 890 2.232 -0.714 0.984 64ASN HB1 891 2.162 -0.628 0.988 64ASN HB2 892 2.265 -0.738 1.087 64ASN CG 893 2.153 -0.831 0.927 64ASN OD1 894 2.163 -0.867 0.810 64ASN ND2 895 2.068 -0.892 1.013 64ASN HD21 896 2.017 -0.970 0.979 64ASN HD22 897 2.076 -0.874 1.111 64ASN C 898 2.412 -0.548 0.941 64ASN O 899 2.389 -0.444 0.876 65GLU N 900 2.489 -0.544 1.051 65GLU HN 901 2.510 -0.629 1.102 65GLU CA 902 2.555 -0.424 1.097 65GLU HA 903 2.480 -0.346 1.103 65GLU CB 904 2.618 -0.439 1.238 65GLU HB1 905 2.690 -0.356 1.251 65GLU HB2 906 2.678 -0.533 1.245 65GLU CG 907 2.519 -0.429 1.356 65GLU HG1 908 2.479 -0.530 1.380 65GLU HG2 909 2.433 -0.364 1.329 65GLU CD 910 2.586 -0.370 1.480 65GLU OE1 911 2.639 -0.252 1.461 65GLU OE2 912 2.595 -0.430 1.585 65GLU C 913 2.662 -0.373 1.004 65GLU O 914 2.668 -0.252 0.974 66THR N 915 2.751 -0.460 0.956 66THR HN 916 2.746 -0.558 0.984 66THR CA 917 2.862 -0.424 0.868 66THR HA 918 2.915 -0.343 0.916 66THR CB 919 2.961 -0.538 0.847 66THR HB 920 2.908 -0.627 0.807 66THR OG1 921 3.019 -0.571 0.972 66THR HG1 922 2.958 -0.640 1.008 66THR CG2 923 3.075 -0.498 0.752 66THR HG21 924 3.124 -0.404 0.786 66THR HG22 925 3.038 -0.483 0.649 66THR HG23 926 3.151 -0.579 0.749 66THR C 927 2.814 -0.367 0.737 66THR O 928 2.866 -0.265 0.689 67CYS N 929 2.710 -0.427 0.679 67CYS HN 930 2.670 -0.509 0.722 67CYS CA 931 2.645 -0.380 0.558 67CYS HA 932 2.718 -0.382 0.478 67CYS CB 933 2.529 -0.477 0.527 67CYS HB1 934 2.452 -0.468 0.606 67CYS HB2 935 2.568 -0.581 0.535 67CYS SG 936 2.455 -0.458 0.362 67CYS C 937 2.590 -0.239 0.568 67CYS O 938 2.612 -0.155 0.481 68ALA N 939 2.520 -0.206 0.678 68ALA HN 940 2.504 -0.274 0.749 68ALA CA 941 2.465 -0.073 0.700 68ALA HA 942 2.401 -0.049 0.617 68ALA CB 943 2.383 -0.074 0.830 68ALA HB1 944 2.445 -0.100 0.918 68ALA HB2 945 2.303 -0.150 0.820 68ALA HB3 946 2.335 0.024 0.847 68ALA C 947 2.570 0.037 0.710 68ALA O 948 2.552 0.148 0.657 69LYS N 949 2.681 0.008 0.779 69LYS HN 950 2.689 -0.083 0.820 69LYS CA 951 2.797 0.095 0.791 69LYS HA 952 2.761 0.191 0.826 69LYS CB 953 2.899 0.039 0.894 69LYS HB1 954 2.988 0.106 0.897 69LYS HB2 955 2.933 -0.061 0.857 69LYS CG 956 2.841 0.024 1.036 69LYS HG1 957 2.749 -0.038 1.029 69LYS HG2 958 2.809 0.124 1.074 69LYS CD 959 2.938 -0.042 1.136 69LYS HD1 960 2.998 0.034 1.189 69LYS HD2 961 3.010 -0.102 1.075 69LYS CE 962 2.874 -0.139 1.237 69LYS HE1 963 2.951 -0.183 1.304 69LYS HE2 964 2.827 -0.222 1.180 69LYS NZ 965 2.769 -0.076 1.322 69LYS HZ1 966 2.693 -0.037 1.263 69LYS HZ2 967 2.805 -0.003 1.386 69LYS HZ3 968 2.723 -0.150 1.384 69LYS C 969 2.868 0.122 0.659 69LYS O 970 2.914 0.234 0.632 70ASN N 971 2.880 0.019 0.573 70ASN HN 972 2.842 -0.071 0.598 70ASN CA 973 2.956 0.024 0.450 70ASN HA 974 3.041 0.089 0.462 70ASN CB 975 3.002 -0.119 0.410 70ASN HB1 976 3.044 -0.119 0.307 70ASN HB2 977 2.916 -0.189 0.414 70ASN CG 978 3.112 -0.173 0.502 70ASN OD1 979 3.163 -0.109 0.595 70ASN ND2 980 3.153 -0.298 0.472 70ASN HD21 981 3.099 -0.353 0.410 70ASN HD22 982 3.232 -0.334 0.523 70ASN C 983 2.876 0.077 0.332 70ASN O 984 2.934 0.109 0.228 71CYS N 985 2.742 0.086 0.343 71CYS HN 986 2.697 0.062 0.428 71CYS CA 987 2.656 0.108 0.228 71CYS HA 988 2.717 0.134 0.142 71CYS CB 989 2.575 -0.020 0.190 71CYS HB1 990 2.516 -0.002 0.099 71CYS HB2 991 2.505 -0.043 0.273 71CYS SG 992 2.684 -0.164 0.165 71CYS C 993 2.561 0.223 0.248 71CYS O 994 2.530 0.270 0.359 72CYS N 995 2.511 0.277 0.137 72CYS HN 996 2.537 0.242 0.046 72CYS CA 997 2.427 0.393 0.137 72CYS HA 998 2.374 0.400 0.230 72CYS CB 999 2.509 0.522 0.114 72CYS HB1 1000 2.574 0.537 0.203 72CYS HB2 1001 2.441 0.610 0.108 72CYS SG 1002 2.617 0.518 -0.032 72CYS C 1003 2.321 0.380 0.030 72CYS O 1004 2.333 0.301 -0.063 73LEU N 1005 2.213 0.458 0.047 73LEU HN 1006 2.206 0.518 0.126 73LEU CA 1007 2.108 0.473 -0.051 73LEU HA 1008 2.110 0.390 -0.121 73LEU CB 1009 1.969 0.484 0.016 73LEU HB1 1010 1.891 0.498 -0.062 73LEU HB2 1011 1.968 0.574 0.082 73LEU CG 1012 1.930 0.362 0.102 73LEU HG 1013 2.013 0.340 0.174 73LEU CD1 1014 1.805 0.394 0.185 73LEU HD11 1015 1.719 0.417 0.119 73LEU HD12 1016 1.822 0.482 0.251 73LEU HD13 1017 1.777 0.307 0.248 73LEU CD2 1018 1.907 0.236 0.016 73LEU HD21 1019 1.999 0.209 -0.039 73LEU HD22 1020 1.826 0.253 -0.057 73LEU HD23 1021 1.878 0.150 0.080 73LEU C 1022 2.137 0.600 -0.128 73LEU O 1023 2.188 0.697 -0.072 74ASP N 1024 2.103 0.602 -0.258 74ASP HN 1025 2.062 0.523 -0.302 74ASP CA 1026 2.131 0.716 -0.343 74ASP HA 1027 2.161 0.800 -0.282 74ASP CB 1028 2.248 0.684 -0.442 74ASP HB1 1029 2.212 0.631 -0.532 74ASP HB2 1030 2.320 0.617 -0.390 74ASP CG 1031 2.325 0.810 -0.483 74ASP OD1 1032 2.259 0.899 -0.546 74ASP OD2 1033 2.445 0.826 -0.456 74ASP C 1034 2.000 0.757 -0.410 74ASP O 1035 1.897 0.689 -0.401 75GLY N 1036 2.001 0.877 -0.471 75GLY HN 1037 2.092 0.919 -0.481 75GLY CA 1038 1.890 0.943 -0.537 75GLY HA1 1039 1.930 1.031 -0.585 75GLY HA2 1040 1.818 0.967 -0.461 75GLY C 1041 1.818 0.865 -0.644 75GLY O 1042 1.864 0.765 -0.696 76ALA N 1043 1.698 0.915 -0.679 76ALA HN 1044 1.663 0.997 -0.634 76ALA CA 1045 1.609 0.850 -0.771 76ALA HA 1046 1.658 0.765 -0.817 76ALA CB 1047 1.485 0.800 -0.693 76ALA HB1 1048 1.439 0.885 -0.637 76ALA HB2 1049 1.515 0.723 -0.619 76ALA HB3 1050 1.409 0.756 -0.760 76ALA C 1051 1.567 0.944 -0.883 76ALA O 1052 1.528 1.059 -0.863 77ALA N 1053 1.573 0.897 -1.009 77ALA HN 1054 1.607 0.805 -1.027 77ALA CA 1055 1.521 0.971 -1.121 77ALA HA 1056 1.521 1.077 -1.099 77ALA CB 1057 1.603 0.949 -1.250 77ALA HB1 1058 1.612 0.841 -1.273 77ALA HB2 1059 1.704 0.992 -1.236 77ALA HB3 1060 1.555 1.001 -1.335 77ALA C 1061 1.377 0.928 -1.143 77ALA O 1062 1.347 0.835 -1.218 78TYR N 1063 1.283 0.997 -1.076 78TYR HN 1064 1.312 1.069 -1.014 78TYR CA 1065 1.145 0.956 -1.066 78TYR HA 1066 1.141 0.860 -1.015 78TYR CB 1067 1.064 1.060 -0.985 78TYR HB1 1068 0.954 1.046 -0.996 78TYR HB2 1069 1.088 1.163 -1.019 78TYR CG 1070 1.097 1.048 -0.839 78TYR CD1 1071 1.212 1.109 -0.785 78TYR HD1 1072 1.280 1.165 -0.847 78TYR CE1 1073 1.243 1.094 -0.649 78TYR HE1 1074 1.333 1.138 -0.609 78TYR CZ 1075 1.157 1.024 -0.565 78TYR OH 1076 1.188 1.007 -0.428 78TYR HH 1077 1.270 1.057 -0.407 78TYR CD2 1078 1.010 0.979 -0.753 78TYR HD2 1079 0.921 0.933 -0.792 78TYR CE2 1080 1.039 0.968 -0.617 78TYR HE2 1081 0.971 0.915 -0.551 78TYR C 1082 1.075 0.935 -1.199 78TYR O 1083 1.010 0.832 -1.221 79ALA N 1084 1.089 1.029 -1.293 79ALA HN 1085 1.146 1.109 -1.275 79ALA CA 1086 1.014 1.023 -1.416 79ALA HA 1087 0.913 0.992 -1.393 79ALA CB 1088 1.010 1.164 -1.478 79ALA HB1 1089 1.110 1.195 -1.516 79ALA HB2 1090 0.978 1.238 -1.403 79ALA HB3 1091 0.937 1.166 -1.561 79ALA C 1092 1.069 0.924 -1.516 79ALA O 1093 0.995 0.849 -1.580 80SER N 1094 1.202 0.920 -1.534 80SER HN 1095 1.263 0.975 -1.477 80SER CA 1096 1.263 0.843 -1.641 80SER HA 1097 1.194 0.837 -1.725 80SER CB 1098 1.394 0.908 -1.692 80SER HB1 1099 1.367 1.003 -1.741 80SER HB2 1100 1.444 0.844 -1.768 80SER OG 1101 1.483 0.937 -1.584 80SER HG1 1102 1.506 0.853 -1.542 80SER C 1103 1.295 0.700 -1.604 80SER O 1104 1.314 0.617 -1.692 81THR N 1105 1.302 0.669 -1.474 81THR HN 1106 1.293 0.738 -1.403 81THR CA 1107 1.339 0.535 -1.430 81THR HA 1108 1.367 0.472 -1.513 81THR CB 1109 1.453 0.536 -1.330 81THR HB 1110 1.428 0.600 -1.242 81THR OG1 1111 1.569 0.591 -1.393 81THR HG1 1112 1.598 0.521 -1.451 81THR CG2 1113 1.490 0.396 -1.280 81THR HG21 1114 1.517 0.329 -1.365 81THR HG22 1115 1.407 0.349 -1.224 81THR HG23 1116 1.576 0.401 -1.210 81THR C 1117 1.221 0.468 -1.365 81THR O 1118 1.196 0.351 -1.388 82TYR N 1119 1.146 0.543 -1.282 82TYR HN 1120 1.166 0.638 -1.263 82TYR CA 1121 1.043 0.482 -1.199 82TYR HA 1122 1.054 0.375 -1.199 82TYR CB 1123 1.057 0.532 -1.052 82TYR HB1 1124 0.980 0.484 -0.988 82TYR HB2 1125 1.045 0.642 -1.045 82TYR CG 1126 1.193 0.492 -1.000 82TYR CD1 1127 1.219 0.358 -0.970 82TYR HD1 1128 1.139 0.286 -0.981 82TYR CE1 1129 1.345 0.316 -0.926 82TYR HE1 1130 1.364 0.212 -0.905 82TYR CZ 1131 1.448 0.410 -0.911 82TYR OH 1132 1.575 0.369 -0.867 82TYR HH 1133 1.566 0.276 -0.840 82TYR CD2 1134 1.297 0.586 -0.983 82TYR HD2 1135 1.278 0.690 -1.005 82TYR CE2 1136 1.424 0.545 -0.940 82TYR HE2 1137 1.503 0.616 -0.928 82TYR C 1138 0.904 0.510 -1.250 82TYR O 1139 0.806 0.454 -1.198 83GLY N 1140 0.888 0.594 -1.354 83GLY HN 1141 0.968 0.638 -1.393 83GLY CA 1142 0.758 0.624 -1.415 83GLY HA1 1143 0.709 0.530 -1.439 83GLY HA2 1144 0.776 0.685 -1.502 83GLY C 1145 0.666 0.701 -1.325 83GLY O 1146 0.543 0.691 -1.334 84VAL N 1147 0.723 0.783 -1.236 84VAL HN 1148 0.823 0.788 -1.232 84VAL CA 1149 0.650 0.859 -1.138 84VAL HA 1150 0.547 0.827 -1.134 84VAL CB 1151 0.710 0.845 -0.998 84VAL HB 1152 0.819 0.869 -1.002 84VAL CG1 1153 0.641 0.938 -0.896 84VAL HG11 1154 0.531 0.920 -0.897 84VAL HG12 1155 0.660 1.045 -0.919 84VAL HG13 1156 0.678 0.918 -0.794 84VAL CG2 1157 0.695 0.698 -0.953 84VAL HG21 1158 0.748 0.629 -1.022 84VAL HG22 1159 0.588 0.668 -0.951 84VAL HG23 1160 0.737 0.683 -0.852 84VAL C 1161 0.652 1.004 -1.181 84VAL O 1162 0.756 1.063 -1.211 85THR N 1163 0.533 1.066 -1.187 85THR HN 1164 0.449 1.018 -1.160 85THR CA 1165 0.521 1.204 -1.230 85THR HA 1166 0.611 1.257 -1.206 85THR CB 1167 0.489 1.224 -1.379 85THR HB 1168 0.458 1.329 -1.398 85THR OG1 1169 0.386 1.139 -1.425 85THR HG1 1170 0.409 1.051 -1.392 85THR CG2 1171 0.614 1.197 -1.465 85THR HG21 1172 0.646 1.091 -1.456 85THR HG22 1173 0.698 1.262 -1.434 85THR HG23 1174 0.591 1.216 -1.572 85THR C 1175 0.411 1.269 -1.150 85THR O 1176 0.318 1.204 -1.103 86THR N 1177 0.421 1.401 -1.131 86THR HN 1178 0.496 1.454 -1.168 86THR CA 1179 0.321 1.478 -1.059 86THR HA 1180 0.230 1.420 -1.052 86THR CB 1181 0.359 1.525 -0.919 86THR HB 1182 0.279 1.588 -0.874 86THR OG1 1183 0.481 1.600 -0.915 86THR HG1 1184 0.485 1.629 -0.822 86THR CG2 1185 0.375 1.402 -0.827 86THR HG21 1186 0.453 1.332 -0.865 86THR HG22 1187 0.279 1.347 -0.822 86THR HG23 1188 0.402 1.433 -0.724 86THR C 1189 0.288 1.600 -1.142 86THR O 1190 0.360 1.638 -1.234 87SER N 1191 0.174 1.663 -1.109 87SER HN 1192 0.117 1.625 -1.036 87SER CA 1193 0.130 1.785 -1.175 87SER HA 1194 0.211 1.855 -1.177 87SER CB 1195 0.074 1.762 -1.318 87SER HB1 1196 -0.013 1.693 -1.316 87SER HB2 1197 0.153 1.714 -1.379 87SER OG 1198 0.037 1.885 -1.383 87SER HG1 1199 -0.032 1.927 -1.330 87SER C 1200 0.020 1.842 -1.089 87SER O 1201 -0.095 1.795 -1.092 88GLY N 1202 0.049 1.945 -1.009 88GLY HN 1203 0.142 1.985 -1.012 88GLY CA 1204 -0.045 2.001 -0.913 88GLY HA1 1205 -0.135 2.028 -0.967 88GLY HA2 1206 0.002 2.087 -0.867 88GLY C 1207 -0.083 1.907 -0.801 88GLY O 1208 -0.000 1.865 -0.721 89ASN N 1209 -0.212 1.870 -0.795 89ASN HN 1210 -0.278 1.897 -0.865 89ASN CA 1211 -0.267 1.782 -0.693 89ASN HA 1212 -0.199 1.778 -0.609 89ASN CB 1213 -0.404 1.836 -0.641 89ASN HB1 1214 -0.386 1.935 -0.595 89ASN HB2 1215 -0.442 1.767 -0.563 89ASN CG 1216 -0.510 1.853 -0.751 89ASN OD1 1217 -0.484 1.845 -0.871 89ASN ND2 1218 -0.635 1.882 -0.709 89ASN HD21 1219 -0.707 1.879 -0.778 89ASN HD22 1220 -0.655 1.893 -0.612 89ASN C 1221 -0.282 1.640 -0.746 89ASN O 1222 -0.355 1.560 -0.691 90SER N 1223 -0.214 1.609 -0.859 90SER HN 1224 -0.156 1.678 -0.902 90SER CA 1225 -0.223 1.481 -0.928 90SER HA 1226 -0.293 1.417 -0.876 90SER CB 1227 -0.269 1.498 -1.075 90SER HB1 1228 -0.194 1.557 -1.132 90SER HB2 1229 -0.364 1.557 -1.074 90SER OG 1230 -0.296 1.375 -1.142 90SER HG1 1231 -0.213 1.325 -1.148 90SER C 1232 -0.089 1.410 -0.927 90SER O 1233 0.016 1.473 -0.942 91LEU N 1234 -0.094 1.277 -0.912 91LEU HN 1235 -0.183 1.231 -0.900 91LEU CA 1236 0.019 1.186 -0.910 91LEU HA 1237 0.108 1.235 -0.946 91LEU CB 1238 0.040 1.129 -0.767 91LEU HB1 1239 -0.060 1.095 -0.731 91LEU HB2 1240 0.072 1.212 -0.701 91LEU CG 1241 0.138 1.011 -0.752 91LEU HG 1242 0.109 0.929 -0.823 91LEU CD1 1243 0.283 1.050 -0.784 91LEU HD11 1244 0.320 1.126 -0.711 91LEU HD12 1245 0.292 1.091 -0.886 91LEU HD13 1246 0.348 0.961 -0.778 91LEU CD2 1247 0.129 0.951 -0.611 91LEU HD21 1248 0.026 0.915 -0.591 91LEU HD22 1249 0.156 1.027 -0.535 91LEU HD23 1250 0.198 0.864 -0.601 91LEU C 1251 -0.013 1.072 -1.005 91LEU O 1252 -0.120 1.011 -0.996 92SER N 1253 0.077 1.041 -1.099 92SER HN 1254 0.164 1.090 -1.106 92SER CA 1255 0.060 0.928 -1.191 92SER HA 1256 -0.029 0.872 -1.165 92SER CB 1257 0.052 0.969 -1.340 92SER HB1 1258 0.046 0.877 -1.404 92SER HB2 1259 0.144 1.025 -1.368 92SER OG 1260 -0.063 1.050 -1.367 92SER HG1 1261 -0.141 0.997 -1.344 92SER C 1262 0.178 0.836 -1.172 92SER O 1263 0.291 0.880 -1.157 93ILE N 1264 0.150 0.703 -1.170 93ILE HN 1265 0.057 0.669 -1.182 93ILE CA 1266 0.252 0.600 -1.158 93ILE HA 1267 0.351 0.643 -1.167 93ILE CB 1268 0.243 0.520 -1.027 93ILE HB 1269 0.150 0.457 -1.028 93ILE CG2 1270 0.365 0.424 -1.018 93ILE HG21 1271 0.460 0.482 -1.020 93ILE HG22 1272 0.367 0.352 -1.102 93ILE HG23 1273 0.362 0.365 -0.924 93ILE CG1 1274 0.232 0.612 -0.902 93ILE HG11 1275 0.147 0.683 -0.916 93ILE HG12 1276 0.325 0.671 -0.892 93ILE CD 1277 0.204 0.535 -0.772 93ILE HD1 1278 0.290 0.470 -0.744 93ILE HD2 1279 0.115 0.470 -0.783 93ILE HD3 1280 0.185 0.605 -0.688 93ILE C 1281 0.232 0.506 -1.276 93ILE O 1282 0.123 0.448 -1.290 94ASP N 1283 0.333 0.488 -1.362 94ASP HN 1284 0.419 0.539 -1.351 94ASP CA 1285 0.328 0.398 -1.475 94ASP HA 1286 0.224 0.383 -1.504 94ASP CB 1287 0.406 0.449 -1.600 94ASP HB1 1288 0.412 0.368 -1.676 94ASP HB2 1289 0.508 0.478 -1.570 94ASP CG 1290 0.340 0.566 -1.673 94ASP OD1 1291 0.232 0.616 -1.630 94ASP OD2 1292 0.395 0.602 -1.780 94ASP C 1293 0.382 0.260 -1.435 94ASP O 1294 0.479 0.248 -1.362 95PHE N 1295 0.313 0.152 -1.479 95PHE HN 1296 0.234 0.164 -1.540 95PHE CA 1297 0.341 0.016 -1.437 95PHE HA 1298 0.337 0.015 -1.328 95PHE CB 1299 0.229 -0.075 -1.493 95PHE HB1 1300 0.231 -0.069 -1.604 95PHE HB2 1301 0.130 -0.039 -1.458 95PHE CG 1302 0.240 -0.220 -1.452 95PHE CD1 1303 0.259 -0.256 -1.318 95PHE HD1 1304 0.270 -0.181 -1.242 95PHE CE1 1305 0.265 -0.391 -1.281 95PHE HE1 1306 0.282 -0.420 -1.178 95PHE CZ 1307 0.249 -0.491 -1.378 95PHE HZ 1308 0.254 -0.595 -1.350 95PHE CD2 1309 0.224 -0.321 -1.548 95PHE HD2 1310 0.209 -0.294 -1.652 95PHE CE2 1311 0.228 -0.456 -1.512 95PHE HE2 1312 0.214 -0.533 -1.586 95PHE C 1313 0.479 -0.038 -1.472 95PHE O 1314 0.549 -0.093 -1.388 96VAL N 1315 0.523 -0.020 -1.599 96VAL HN 1316 0.467 0.029 -1.665 96VAL CA 1317 0.652 -0.068 -1.643 96VAL HA 1318 0.710 -0.100 -1.558 96VAL CB 1319 0.645 -0.187 -1.739 96VAL HB 1320 0.584 -0.158 -1.828 96VAL CG1 1321 0.786 -0.230 -1.786 96VAL HG11 1322 0.850 -0.251 -1.698 96VAL HG12 1323 0.834 -0.153 -1.849 96VAL HG13 1324 0.778 -0.324 -1.845 96VAL CG2 1325 0.577 -0.306 -1.668 96VAL HG21 1326 0.473 -0.280 -1.639 96VAL HG22 1327 0.632 -0.333 -1.576 96VAL HG23 1328 0.573 -0.395 -1.734 96VAL C 1329 0.726 0.049 -1.702 96VAL O 1330 0.673 0.132 -1.779 97THR N 1331 0.852 0.066 -1.664 97THR HN 1332 0.892 0.000 -1.599 97THR CA 1333 0.937 0.169 -1.718 97THR HA 1334 0.892 0.211 -1.807 97THR CB 1335 0.966 0.282 -1.620 97THR HB 1336 1.021 0.242 -1.532 97THR OG1 1337 0.846 0.342 -1.573 97THR HG1 1338 0.773 0.307 -1.624 97THR CG2 1339 1.045 0.398 -1.683 97THR HG21 1340 0.989 0.441 -1.769 97THR HG22 1341 1.146 0.366 -1.716 97THR HG23 1342 1.058 0.478 -1.607 97THR C 1343 1.064 0.100 -1.760 97THR O 1344 1.114 0.012 -1.694 98GLN N 1345 1.116 0.138 -1.880 98GLN HN 1346 1.076 0.211 -1.933 98GLN CA 1347 1.241 0.087 -1.930 98GLN HA 1348 1.284 0.015 -1.861 98GLN CB 1349 1.226 0.022 -2.070 98GLN HB1 1350 1.327 0.005 -2.115 98GLN HB2 1351 1.173 0.094 -2.136 98GLN CG 1352 1.148 -0.112 -2.071 98GLN HG1 1353 1.118 -0.134 -2.175 98GLN HG2 1354 1.057 -0.104 -2.008 98GLN CD 1355 1.231 -0.231 -2.020 98GLN OE1 1356 1.347 -0.219 -1.978 98GLN NE2 1357 1.173 -0.352 -2.026 98GLN HE21 1358 1.224 -0.428 -1.986 98GLN HE22 1359 1.077 -0.362 -2.052 98GLN C 1360 1.336 0.203 -1.939 98GLN O 1361 1.301 0.313 -1.983 99SER N 1362 1.459 0.183 -1.892 99SER HN 1363 1.484 0.092 -1.857 99SER CA 1364 1.563 0.284 -1.892 99SER HA 1365 1.553 0.345 -1.980 99SER CB 1366 1.558 0.375 -1.766 99SER HB1 1367 1.463 0.433 -1.769 99SER HB2 1368 1.642 0.448 -1.768 99SER OG 1369 1.563 0.301 -1.644 99SER HG1 1370 1.486 0.242 -1.642 99SER C 1371 1.693 0.209 -1.908 99SER O 1372 1.708 0.134 -2.003 100ALA N 1373 1.789 0.221 -1.814 100ALA HN 1374 1.774 0.279 -1.735 100ALA CA 1375 1.905 0.134 -1.812 100ALA HA 1376 1.945 0.122 -1.912 100ALA CB 1377 2.013 0.192 -1.718 100ALA HB1 1378 1.975 0.199 -1.614 100ALA HB2 1379 2.044 0.293 -1.752 100ALA HB3 1380 2.103 0.126 -1.717 100ALA C 1381 1.868 -0.006 -1.762 100ALA O 1382 1.939 -0.103 -1.783 101GLN N 1383 1.752 -0.014 -1.695 101GLN HN 1384 1.698 0.068 -1.677 101GLN CA 1385 1.693 -0.137 -1.652 101GLN HA 1386 1.714 -0.212 -1.727 101GLN CB 1387 1.750 -0.188 -1.516 101GLN HB1 1388 1.847 -0.236 -1.540 101GLN HB2 1389 1.683 -0.266 -1.474 101GLN CG 1390 1.779 -0.081 -1.406 101GLN HG1 1391 1.868 -0.022 -1.437 101GLN HG2 1392 1.803 -0.130 -1.310 101GLN CD 1393 1.668 0.021 -1.381 101GLN OE1 1394 1.690 0.141 -1.390 101GLN NE2 1395 1.546 -0.027 -1.344 101GLN HE21 1396 1.473 0.038 -1.331 101GLN HE22 1397 1.529 -0.125 -1.338 101GLN C 1398 1.542 -0.126 -1.652 101GLN O 1399 1.486 -0.014 -1.656 102LYS N 1400 1.473 -0.240 -1.654 102LYS HN 1401 1.522 -0.327 -1.666 102LYS CA 1402 1.332 -0.252 -1.627 102LYS HA 1403 1.282 -0.178 -1.687 102LYS CB 1404 1.279 -0.391 -1.668 102LYS HB1 1405 1.335 -0.469 -1.611 102LYS HB2 1406 1.303 -0.405 -1.776 102LYS CG 1407 1.128 -0.414 -1.647 102LYS HG1 1408 1.070 -0.335 -1.698 102LYS HG2 1409 1.105 -0.410 -1.538 102LYS CD 1410 1.085 -0.552 -1.699 102LYS HD1 1411 1.158 -0.627 -1.661 102LYS HD2 1412 1.091 -0.551 -1.810 102LYS CE 1413 0.944 -0.593 -1.656 102LYS HE1 1414 0.865 -0.532 -1.705 102LYS HE2 1415 0.933 -0.583 -1.546 102LYS NZ 1416 0.922 -0.735 -1.690 102LYS HZ1 1417 0.998 -0.791 -1.646 102LYS HZ2 1418 0.914 -0.753 -1.791 102LYS HZ3 1419 0.835 -0.770 -1.639 102LYS C 1420 1.300 -0.221 -1.481 102LYS O 1421 1.368 -0.264 -1.390 103ASN N 1422 1.192 -0.143 -1.462 103ASN HN 1423 1.143 -0.106 -1.541 103ASN CA 1424 1.136 -0.112 -1.334 103ASN HA 1425 1.184 -0.168 -1.255 103ASN CB 1426 1.146 0.041 -1.308 103ASN HB1 1427 1.109 0.096 -1.396 103ASN HB2 1428 1.253 0.068 -1.292 103ASN CG 1429 1.069 0.083 -1.183 103ASN OD1 1430 1.118 0.057 -1.072 103ASN ND2 1431 0.952 0.147 -1.199 103ASN HD21 1432 0.895 0.164 -1.118 103ASN HD22 1433 0.916 0.168 -1.290 103ASN C 1434 0.992 -0.157 -1.340 103ASN O 1435 0.929 -0.147 -1.446 104VAL N 1436 0.938 -0.206 -1.227 104VAL HN 1437 0.990 -0.216 -1.143 104VAL CA 1438 0.798 -0.239 -1.214 104VAL HA 1439 0.744 -0.208 -1.302 104VAL CB 1440 0.775 -0.388 -1.194 104VAL HB 1441 0.825 -0.424 -1.101 104VAL CG1 1442 0.624 -0.418 -1.184 104VAL HG11 1443 0.569 -0.379 -1.273 104VAL HG12 1444 0.579 -0.374 -1.093 104VAL HG13 1445 0.607 -0.528 -1.180 104VAL CG2 1446 0.835 -0.462 -1.314 104VAL HG21 1447 0.945 -0.449 -1.321 104VAL HG22 1448 0.788 -0.428 -1.409 104VAL HG23 1449 0.816 -0.571 -1.302 104VAL C 1450 0.744 -0.159 -1.097 104VAL O 1451 0.794 -0.167 -0.985 105GLY N 1452 0.642 -0.075 -1.124 105GLY HN 1453 0.608 -0.072 -1.218 105GLY CA 1454 0.573 0.009 -1.026 105GLY HA1 1455 0.520 -0.058 -0.961 105GLY HA2 1456 0.508 0.075 -1.082 105GLY C 1457 0.659 0.098 -0.938 105GLY O 1458 0.773 0.130 -0.964 106ALA N 1459 0.596 0.144 -0.827 106ALA HN 1460 0.504 0.116 -0.805 106ALA CA 1461 0.663 0.225 -0.729 106ALA HA 1462 0.761 0.184 -0.710 106ALA CB 1463 0.675 0.373 -0.773 106ALA HB1 1464 0.575 0.417 -0.791 106ALA HB2 1465 0.733 0.380 -0.867 106ALA HB3 1466 0.727 0.434 -0.695 106ALA C 1467 0.584 0.218 -0.601 106ALA O 1468 0.465 0.185 -0.602 107ARG N 1469 0.648 0.250 -0.488 107ARG HN 1470 0.746 0.271 -0.488 107ARG CA 1471 0.581 0.270 -0.362 107ARG HA 1472 0.475 0.279 -0.377 107ARG CB 1473 0.610 0.156 -0.262 107ARG HB1 1474 0.719 0.145 -0.247 107ARG HB2 1475 0.574 0.062 -0.309 107ARG CG 1476 0.540 0.173 -0.125 107ARG HG1 1477 0.433 0.201 -0.144 107ARG HG2 1478 0.586 0.256 -0.068 107ARG CD 1479 0.538 0.045 -0.039 107ARG HD1 1480 0.483 -0.035 -0.094 107ARG HD2 1481 0.485 0.066 0.057 107ARG NE 1482 0.678 0.007 -0.007 107ARG HE 1483 0.732 0.072 0.049 107ARG CZ 1484 0.729 -0.117 -0.007 107ARG NH1 1485 0.658 -0.220 -0.060 107ARG HH11 1486 0.575 -0.202 -0.107 107ARG HH12 1487 0.706 -0.308 -0.064 107ARG NH2 1488 0.844 -0.143 0.036 107ARG HH21 1489 0.910 -0.067 0.057 107ARG HH22 1490 0.880 -0.236 0.025 107ARG C 1491 0.633 0.403 -0.311 107ARG O 1492 0.751 0.427 -0.302 108LEU N 1493 0.537 0.496 -0.286 108LEU HN 1494 0.440 0.474 -0.293 108LEU CA 1495 0.566 0.635 -0.262 108LEU HA 1496 0.673 0.650 -0.253 108LEU CB 1497 0.507 0.724 -0.374 108LEU HB1 1498 0.523 0.831 -0.351 108LEU HB2 1499 0.397 0.705 -0.377 108LEU CG 1500 0.562 0.695 -0.515 108LEU HG 1501 0.561 0.585 -0.533 108LEU CD1 1502 0.471 0.757 -0.622 108LEU HD11 1503 0.469 0.868 -0.611 108LEU HD12 1504 0.368 0.718 -0.611 108LEU HD13 1505 0.507 0.732 -0.723 108LEU CD2 1506 0.705 0.747 -0.531 108LEU HD21 1507 0.771 0.698 -0.457 108LEU HD22 1508 0.710 0.856 -0.516 108LEU HD23 1509 0.744 0.723 -0.633 108LEU C 1510 0.503 0.677 -0.131 108LEU O 1511 0.393 0.633 -0.097 109TYR N 1512 0.570 0.765 -0.056 109TYR HN 1513 0.661 0.796 -0.085 109TYR CA 1514 0.520 0.816 0.070 109TYR HA 1515 0.425 0.771 0.094 109TYR CB 1516 0.621 0.794 0.186 109TYR HB1 1517 0.577 0.822 0.284 109TYR HB2 1518 0.712 0.854 0.169 109TYR CG 1519 0.660 0.649 0.192 109TYR CD1 1520 0.562 0.552 0.214 109TYR HD1 1521 0.460 0.584 0.229 109TYR CE1 1522 0.594 0.416 0.208 109TYR HE1 1523 0.517 0.341 0.222 109TYR CZ 1524 0.726 0.376 0.183 109TYR OH 1525 0.759 0.240 0.166 109TYR HH 1526 0.857 0.230 0.167 109TYR CD2 1527 0.793 0.609 0.173 109TYR HD2 1528 0.871 0.682 0.159 109TYR CE2 1529 0.826 0.472 0.169 109TYR HE2 1530 0.928 0.442 0.152 109TYR C 1531 0.499 0.965 0.056 109TYR O 1532 0.579 1.034 -0.006 110LEU N 1533 0.389 1.018 0.113 110LEU HN 1534 0.324 0.959 0.161 110LEU CA 1535 0.372 1.163 0.120 110LEU HA 1536 0.403 1.204 0.025 110LEU CB 1537 0.224 1.205 0.143 110LEU HB1 1538 0.195 1.174 0.246 110LEU HB2 1539 0.161 1.148 0.072 110LEU CG 1540 0.195 1.356 0.125 110LEU HG 1541 0.268 1.415 0.185 110LEU CD1 1542 0.206 1.400 -0.021 110LEU HD11 1543 0.132 1.345 -0.083 110LEU HD12 1544 0.307 1.379 -0.062 110LEU HD13 1545 0.186 1.509 -0.031 110LEU CD2 1546 0.056 1.391 0.180 110LEU HD21 1547 0.049 1.364 0.287 110LEU HD22 1548 -0.023 1.337 0.124 110LEU HD23 1549 0.037 1.500 0.170 110LEU C 1550 0.461 1.224 0.227 110LEU O 1551 0.474 1.176 0.339 111MET N 1552 0.524 1.338 0.194 111MET HN 1553 0.516 1.375 0.101 111MET CA 1554 0.615 1.407 0.281 111MET HA 1555 0.632 1.348 0.370 111MET CB 1556 0.751 1.432 0.214 111MET HB1 1557 0.817 1.480 0.289 111MET HB2 1558 0.740 1.501 0.128 111MET CG 1559 0.823 1.306 0.165 111MET HG1 1560 0.773 1.270 0.072 111MET HG2 1561 0.814 1.224 0.240 111MET SD 1562 0.999 1.339 0.131 111MET CE 1563 1.060 1.299 0.297 111MET HE1 1564 1.035 1.194 0.324 111MET HE2 1565 1.015 1.366 0.373 111MET HE3 1566 1.170 1.309 0.301 111MET C 1567 0.561 1.540 0.327 111MET O 1568 0.479 1.605 0.259 112ALA N 1569 0.604 1.585 0.445 112ALA HN 1570 0.669 1.529 0.498 112ALA CA 1571 0.569 1.715 0.498 112ALA HA 1572 0.481 1.753 0.448 112ALA CB 1573 0.542 1.703 0.649 112ALA HB1 1574 0.628 1.659 0.703 112ALA HB2 1575 0.454 1.638 0.667 112ALA HB3 1576 0.519 1.802 0.693 112ALA C 1577 0.683 1.814 0.481 112ALA O 1578 0.664 1.935 0.493 113SER N 1579 0.803 1.763 0.450 113SER HN 1580 0.817 1.664 0.440 113SER CA 1581 0.921 1.842 0.422 113SER HA 1582 0.895 1.918 0.351 113SER CB 1583 0.989 1.902 0.549 113SER HB1 1584 0.914 1.958 0.607 113SER HB2 1585 1.066 1.976 0.515 113SER OG 1586 1.054 1.805 0.632 113SER HG1 1587 0.986 1.757 0.683 113SER C 1588 1.015 1.745 0.355 113SER O 1589 0.987 1.626 0.352 114ASP N 1590 1.130 1.791 0.304 114ASP HN 1591 1.151 1.888 0.304 114ASP CA 1592 1.225 1.704 0.237 114ASP HA 1593 1.172 1.648 0.160 114ASP CB 1594 1.340 1.787 0.175 114ASP HB1 1595 1.422 1.721 0.141 114ASP HB2 1596 1.379 1.858 0.250 114ASP CG 1597 1.299 1.865 0.052 114ASP OD1 1598 1.197 1.834 -0.013 114ASP OD2 1599 1.386 1.949 0.014 114ASP C 1600 1.291 1.600 0.328 114ASP O 1601 1.356 1.508 0.281 115THR N 1602 1.281 1.617 0.462 115THR HN 1603 1.235 1.698 0.498 115THR CA 1604 1.340 1.523 0.556 115THR HA 1605 1.386 1.441 0.502 115THR CB 1606 1.450 1.585 0.644 115THR HB 1607 1.487 1.514 0.721 115THR OG1 1608 1.412 1.706 0.708 115THR HG1 1609 1.324 1.693 0.745 115THR CG2 1610 1.569 1.619 0.552 115THR HG21 1611 1.538 1.693 0.476 115THR HG22 1612 1.605 1.527 0.501 115THR HG23 1613 1.651 1.663 0.612 115THR C 1614 1.240 1.454 0.647 115THR O 1615 1.281 1.381 0.735 116THR N 1616 1.107 1.475 0.628 116THR HN 1617 1.074 1.531 0.553 116THR CA 1618 1.007 1.416 0.717 116THR HA 1619 1.046 1.324 0.758 116THR CB 1620 0.960 1.506 0.834 116THR HB 1621 0.885 1.450 0.896 116THR OG1 1622 0.901 1.628 0.789 116THR HG1 1623 0.818 1.600 0.748 116THR CG2 1624 1.077 1.542 0.926 116THR HG21 1625 1.151 1.606 0.872 116THR HG22 1626 1.128 1.450 0.961 116THR HG23 1627 1.040 1.598 1.014 116THR C 1628 0.881 1.378 0.643 116THR O 1629 0.832 1.452 0.556 117TYR N 1630 0.819 1.265 0.680 117TYR HN 1631 0.859 1.206 0.751 117TYR CA 1632 0.689 1.224 0.632 117TYR HA 1633 0.691 1.233 0.525 117TYR CB 1634 0.654 1.077 0.667 117TYR HB1 1635 0.555 1.048 0.626 117TYR HB2 1636 0.652 1.064 0.777 117TYR CG 1637 0.754 0.983 0.606 117TYR CD1 1638 0.778 0.980 0.468 117TYR HD1 1639 0.726 1.049 0.402 117TYR CE1 1640 0.868 0.887 0.414 117TYR HE1 1641 0.887 0.885 0.308 117TYR CZ 1642 0.932 0.795 0.497 117TYR OH 1643 1.020 0.700 0.442 117TYR HH 1644 1.042 0.635 0.511 117TYR CD2 1645 0.819 0.890 0.688 117TYR HD2 1646 0.798 0.888 0.794 117TYR CE2 1647 0.908 0.797 0.634 117TYR HE2 1648 0.956 0.724 0.699 117TYR C 1649 0.575 1.312 0.679 117TYR O 1650 0.585 1.387 0.777 118GLN N 1651 0.462 1.309 0.606 118GLN HN 1652 0.456 1.250 0.525 118GLN CA 1653 0.340 1.372 0.649 118GLN HA 1654 0.362 1.453 0.717 118GLN CB 1655 0.261 1.427 0.527 118GLN HB1 1656 0.237 1.342 0.459 118GLN HB2 1657 0.329 1.495 0.472 118GLN CG 1658 0.131 1.505 0.561 118GLN HG1 1659 0.058 1.438 0.610 118GLN HG2 1660 0.086 1.542 0.467 118GLN CD 1661 0.160 1.625 0.650 118GLN OE1 1662 0.211 1.728 0.603 118GLN NE2 1663 0.129 1.615 0.780 118GLN HE21 1664 0.083 1.533 0.814 118GLN HE22 1665 0.163 1.690 0.838 118GLN C 1666 0.254 1.271 0.724 118GLN O 1667 0.209 1.172 0.669 119GLU N 1668 0.229 1.300 0.853 119GLU HN 1669 0.269 1.380 0.896 119GLU CA 1670 0.147 1.217 0.939 119GLU HA 1671 0.153 1.113 0.907 119GLU CB 1672 0.191 1.229 1.087 119GLU HB1 1673 0.126 1.164 1.151 119GLU HB2 1674 0.178 1.334 1.120 119GLU CG 1675 0.338 1.188 1.112 119GLU HG1 1676 0.368 1.213 1.216 119GLU HG2 1677 0.407 1.237 1.041 119GLU CD 1678 0.359 1.037 1.099 119GLU OE1 1679 0.257 0.964 1.093 119GLU OE2 1680 0.477 0.998 1.100 119GLU C 1681 0.004 1.262 0.932 119GLU O 1682 -0.025 1.382 0.920 120PHE N 1683 -0.090 1.167 0.942 120PHE HN 1684 -0.062 1.070 0.941 120PHE CA 1685 -0.232 1.192 0.943 120PHE HA 1686 -0.251 1.298 0.957 120PHE CB 1687 -0.302 1.142 0.814 120PHE HB1 1688 -0.412 1.148 0.823 120PHE HB2 1689 -0.274 1.036 0.796 120PHE CG 1690 -0.260 1.222 0.694 120PHE CD1 1691 -0.140 1.193 0.625 120PHE HD1 1692 -0.074 1.116 0.663 120PHE CE1 1693 -0.109 1.259 0.506 120PHE HE1 1694 -0.018 1.233 0.454 120PHE CZ 1695 -0.196 1.357 0.455 120PHE HZ 1696 -0.172 1.408 0.363 120PHE CD2 1697 -0.346 1.320 0.641 120PHE HD2 1698 -0.439 1.340 0.692 120PHE CE2 1699 -0.314 1.388 0.523 120PHE HE2 1700 -0.382 1.462 0.483 120PHE C 1701 -0.294 1.120 1.060 120PHE O 1702 -0.275 1.002 1.080 121THR N 1703 -0.374 1.192 1.141 121THR HN 1704 -0.384 1.290 1.130 121THR CA 1705 -0.452 1.130 1.247 121THR HA 1706 -0.413 1.032 1.272 121THR CB 1707 -0.455 1.214 1.374 121THR HB 1708 -0.495 1.315 1.352 121THR OG1 1709 -0.322 1.227 1.423 121THR HG1 1710 -0.296 1.135 1.442 121THR CG2 1711 -0.539 1.148 1.484 121THR HG21 1712 -0.500 1.046 1.508 121THR HG22 1713 -0.646 1.139 1.455 121THR HG23 1714 -0.534 1.209 1.577 121THR C 1715 -0.591 1.110 1.194 121THR O 1716 -0.667 1.207 1.175 122LEU N 1717 -0.627 0.986 1.160 122LEU HN 1718 -0.565 0.909 1.177 122LEU CA 1719 -0.749 0.957 1.087 122LEU HA 1720 -0.762 1.032 1.010 122LEU CB 1721 -0.738 0.818 1.018 122LEU HB1 1722 -0.835 0.793 0.968 122LEU HB2 1723 -0.719 0.741 1.095 122LEU CG 1724 -0.628 0.807 0.910 122LEU HG 1725 -0.530 0.836 0.955 122LEU CD1 1726 -0.615 0.661 0.863 122LEU HD11 1727 -0.709 0.627 0.817 122LEU HD12 1728 -0.590 0.594 0.948 122LEU HD13 1729 -0.533 0.652 0.788 122LEU CD2 1730 -0.655 0.899 0.790 122LEU HD21 1731 -0.655 1.005 0.820 122LEU HD22 1732 -0.753 0.874 0.744 122LEU HD23 1733 -0.576 0.884 0.713 122LEU C 1734 -0.874 0.961 1.172 122LEU O 1735 -0.983 0.991 1.122 123LEU N 1736 -0.864 0.936 1.303 123LEU HN 1737 -0.775 0.919 1.345 123LEU CA 1738 -0.981 0.925 1.389 123LEU HA 1739 -1.048 0.855 1.339 123LEU CB 1740 -0.946 0.867 1.528 123LEU HB1 1741 -0.880 0.940 1.580 123LEU HB2 1742 -0.887 0.775 1.513 123LEU CG 1743 -1.067 0.834 1.618 123LEU HG 1744 -1.134 0.923 1.623 123LEU CD1 1745 -1.147 0.715 1.562 123LEU HD11 1746 -1.082 0.626 1.551 123LEU HD12 1747 -1.189 0.739 1.462 123LEU HD13 1748 -1.231 0.689 1.629 123LEU CD2 1749 -1.023 0.803 1.762 123LEU HD21 1750 -0.963 0.888 1.802 123LEU HD22 1751 -0.959 0.712 1.764 123LEU HD23 1752 -1.111 0.787 1.827 123LEU C 1753 -1.059 1.055 1.405 123LEU O 1754 -1.006 1.157 1.452 124GLY N 1755 -1.188 1.056 1.367 124GLY HN 1756 -1.230 0.974 1.325 124GLY CA 1757 -1.274 1.174 1.373 124GLY HA1 1758 -1.245 1.236 1.457 124GLY HA2 1759 -1.376 1.140 1.378 124GLY C 1760 -1.263 1.258 1.249 124GLY O 1761 -1.309 1.373 1.245 125ASN N 1762 -1.203 1.204 1.143 125ASN HN 1763 -1.173 1.108 1.147 125ASN CA 1764 -1.172 1.274 1.021 125ASN HA 1765 -1.235 1.361 1.012 125ASN CB 1766 -1.022 1.315 1.013 125ASN HB1 1767 -1.001 1.366 0.916 125ASN HB2 1768 -0.957 1.226 1.019 125ASN CG 1769 -0.986 1.415 1.122 125ASN OD1 1770 -1.017 1.533 1.113 125ASN ND2 1771 -0.909 1.370 1.224 125ASN HD21 1772 -0.873 1.276 1.222 125ASN HD22 1773 -0.893 1.428 1.301 125ASN C 1774 -1.208 1.183 0.904 125ASN O 1775 -1.238 1.066 0.919 126GLU N 1776 -1.208 1.242 0.783 126GLU HN 1777 -1.185 1.338 0.772 126GLU CA 1778 -1.236 1.169 0.662 126GLU HA 1779 -1.228 1.063 0.680 126GLU CB 1780 -1.378 1.204 0.607 126GLU HB1 1781 -1.450 1.191 0.691 126GLU HB2 1782 -1.405 1.129 0.529 126GLU CG 1783 -1.391 1.346 0.546 126GLU HG1 1784 -1.332 1.352 0.453 126GLU HG2 1785 -1.352 1.420 0.618 126GLU CD 1786 -1.534 1.388 0.513 126GLU OE1 1787 -1.632 1.318 0.544 126GLU OE2 1788 -1.546 1.502 0.455 126GLU C 1789 -1.130 1.204 0.561 126GLU O 1790 -1.061 1.308 0.571 127PHE N 1791 -1.112 1.117 0.462 127PHE HN 1792 -1.173 1.036 0.457 127PHE CA 1793 -1.013 1.128 0.359 127PHE HA 1794 -0.971 1.228 0.358 127PHE CB 1795 -0.901 1.023 0.382 127PHE HB1 1796 -0.941 0.920 0.373 127PHE HB2 1797 -0.861 1.035 0.484 127PHE CG 1798 -0.787 1.040 0.284 127PHE CD1 1799 -0.680 1.125 0.315 127PHE HD1 1800 -0.680 1.179 0.408 127PHE CE1 1801 -0.571 1.137 0.228 127PHE HE1 1802 -0.487 1.201 0.254 127PHE CZ 1803 -0.569 1.064 0.109 127PHE HZ 1804 -0.484 1.072 0.041 127PHE CD2 1805 -0.784 0.967 0.164 127PHE HD2 1806 -0.865 0.900 0.140 127PHE CE2 1807 -0.676 0.981 0.076 127PHE HE2 1808 -0.674 0.924 -0.016 127PHE C 1809 -1.085 1.107 0.226 127PHE O 1810 -1.158 1.012 0.208 128SER N 1811 -1.065 1.203 0.133 128SER HN 1812 -1.002 1.278 0.151 128SER CA 1813 -1.126 1.202 0.002 128SER HA 1814 -1.181 1.111 -0.015 128SER CB 1815 -1.222 1.324 -0.017 128SER HB1 1816 -1.167 1.417 0.011 128SER HB2 1817 -1.306 1.312 0.055 128SER OG 1818 -1.276 1.339 -0.149 128SER HG1 1819 -1.201 1.344 -0.211 128SER C 1820 -1.016 1.210 -0.101 128SER O 1821 -0.917 1.281 -0.082 129PHE N 1822 -1.031 1.138 -0.213 129PHE HN 1823 -1.108 1.075 -0.226 129PHE CA 1824 -0.937 1.147 -0.323 129PHE HA 1825 -0.909 1.250 -0.336 129PHE CB 1826 -0.808 1.061 -0.302 129PHE HB1 1827 -0.759 1.091 -0.207 129PHE HB2 1828 -0.737 1.081 -0.385 129PHE CG 1829 -0.835 0.912 -0.295 129PHE CD1 1830 -0.896 0.856 -0.182 129PHE HD1 1831 -0.923 0.919 -0.099 129PHE CE1 1832 -0.926 0.719 -0.178 129PHE HE1 1833 -0.978 0.678 -0.093 129PHE CZ 1834 -0.893 0.637 -0.286 129PHE HZ 1835 -0.920 0.533 -0.285 129PHE CD2 1836 -0.798 0.828 -0.402 129PHE HD2 1837 -0.749 0.869 -0.489 129PHE CE2 1838 -0.827 0.691 -0.397 129PHE HE2 1839 -0.800 0.626 -0.479 129PHE C 1840 -1.013 1.106 -0.448 129PHE O 1841 -1.112 1.034 -0.443 130ASP N 1842 -0.967 1.156 -0.565 130ASP HN 1843 -0.887 1.215 -0.567 130ASP CA 1844 -1.013 1.111 -0.694 130ASP HA 1845 -1.109 1.062 -0.684 130ASP CB 1846 -1.020 1.224 -0.802 130ASP HB1 1847 -1.050 1.178 -0.897 130ASP HB2 1848 -0.919 1.269 -0.812 130ASP CG 1849 -1.119 1.337 -0.778 130ASP OD1 1850 -1.200 1.337 -0.685 130ASP OD2 1851 -1.115 1.430 -0.867 130ASP C 1852 -0.913 1.006 -0.744 130ASP O 1853 -0.792 1.014 -0.717 131VAL N 1854 -0.959 0.907 -0.821 131VAL HN 1855 -1.057 0.897 -0.839 131VAL CA 1856 -0.872 0.802 -0.872 131VAL HA 1857 -0.773 0.844 -0.888 131VAL CB 1858 -0.857 0.686 -0.773 131VAL HB 1859 -0.826 0.731 -0.676 131VAL CG1 1860 -0.992 0.614 -0.750 131VAL HG11 1861 -1.026 0.561 -0.841 131VAL HG12 1862 -1.071 0.685 -0.717 131VAL HG13 1863 -0.980 0.538 -0.669 131VAL CG2 1864 -0.746 0.589 -0.816 131VAL HG21 1865 -0.650 0.643 -0.830 131VAL HG22 1866 -0.771 0.537 -0.911 131VAL HG23 1867 -0.731 0.512 -0.738 131VAL C 1868 -0.922 0.758 -1.008 131VAL O 1869 -1.041 0.757 -1.036 132ASP N 1870 -0.828 0.726 -1.099 132ASP HN 1871 -0.731 0.732 -1.073 132ASP CA 1872 -0.854 0.670 -1.230 132ASP HA 1873 -0.960 0.655 -1.244 132ASP CB 1874 -0.798 0.762 -1.342 132ASP HB1 1875 -0.689 0.775 -1.325 132ASP HB2 1876 -0.845 0.862 -1.335 132ASP CG 1877 -0.816 0.710 -1.485 132ASP OD1 1878 -0.901 0.623 -1.511 132ASP OD2 1879 -0.744 0.765 -1.574 132ASP C 1880 -0.786 0.534 -1.230 132ASP O 1881 -0.664 0.523 -1.213 133VAL N 1882 -0.866 0.427 -1.246 133VAL HN 1883 -0.964 0.439 -1.258 133VAL CA 1884 -0.819 0.289 -1.240 133VAL HA 1885 -0.713 0.286 -1.220 133VAL CB 1886 -0.892 0.210 -1.131 133VAL HB 1887 -0.859 0.103 -1.134 133VAL CG1 1888 -0.854 0.266 -0.992 133VAL HG11 1889 -0.893 0.368 -0.979 133VAL HG12 1890 -0.744 0.267 -0.980 133VAL HG13 1891 -0.897 0.201 -0.913 133VAL CG2 1892 -1.045 0.214 -1.153 133VAL HG21 1893 -1.072 0.175 -1.252 133VAL HG22 1894 -1.085 0.317 -1.141 133VAL HG23 1895 -1.094 0.151 -1.077 133VAL C 1896 -0.841 0.223 -1.375 133VAL O 1897 -0.827 0.101 -1.390 134SER N 1898 -0.873 0.301 -1.479 134SER HN 1899 -0.879 0.401 -1.466 134SER CA 1900 -0.916 0.251 -1.609 134SER HA 1901 -0.998 0.182 -1.590 134SER CB 1902 -0.968 0.363 -1.703 134SER HB1 1903 -1.054 0.412 -1.652 134SER HB2 1904 -1.006 0.317 -1.797 134SER OG 1905 -0.871 0.463 -1.734 134SER HG1 1906 -0.866 0.522 -1.655 134SER C 1907 -0.811 0.170 -1.683 134SER O 1908 -0.844 0.081 -1.763 135GLN N 1909 -0.683 0.200 -1.659 135GLN HN 1910 -0.662 0.271 -1.592 135GLN CA 1911 -0.570 0.137 -1.724 135GLN HA 1912 -0.603 0.093 -1.818 135GLN CB 1913 -0.459 0.242 -1.752 135GLN HB1 1914 -0.376 0.192 -1.807 135GLN HB2 1915 -0.419 0.279 -1.656 135GLN CG 1916 -0.504 0.364 -1.835 135GLN HG1 1917 -0.416 0.426 -1.861 135GLN HG2 1918 -0.572 0.427 -1.774 135GLN CD 1919 -0.573 0.324 -1.967 135GLN OE1 1920 -0.513 0.266 -2.057 135GLN NE2 1921 -0.703 0.360 -1.979 135GLN HE21 1922 -0.750 0.399 -1.901 135GLN HE22 1923 -0.748 0.329 -2.063 135GLN C 1924 -0.513 0.023 -1.641 135GLN O 1925 -0.406 -0.027 -1.671 136LEU N 1926 -0.585 -0.022 -1.536 136LEU HN 1927 -0.672 0.021 -1.510 136LEU CA 1928 -0.544 -0.134 -1.454 136LEU HA 1929 -0.440 -0.157 -1.471 136LEU CB 1930 -0.558 -0.102 -1.302 136LEU HB1 1931 -0.525 -0.191 -1.243 136LEU HB2 1932 -0.666 -0.083 -1.279 136LEU CG 1933 -0.479 0.020 -1.252 136LEU HG 1934 -0.510 0.110 -1.309 136LEU CD1 1935 -0.511 0.044 -1.104 136LEU HD11 1936 -0.481 -0.045 -1.043 136LEU HD12 1937 -0.620 0.060 -1.089 136LEU HD13 1938 -0.457 0.132 -1.065 136LEU CD2 1939 -0.327 0.001 -1.271 136LEU HD21 1940 -0.302 -0.006 -1.379 136LEU HD22 1941 -0.293 -0.091 -1.220 136LEU HD23 1942 -0.273 0.088 -1.229 136LEU C 1943 -0.631 -0.255 -1.485 136LEU O 1944 -0.750 -0.257 -1.450 137PRO N 1945 -0.582 -0.360 -1.550 137PRO CD 1946 -0.456 -0.361 -1.625 137PRO HD1 1947 -0.369 -0.345 -1.558 137PRO HD2 1948 -0.459 -0.283 -1.704 137PRO CA 1949 -0.660 -0.482 -1.571 137PRO HA 1950 -0.766 -0.461 -1.579 137PRO CB 1951 -0.597 -0.537 -1.700 137PRO HB1 1952 -0.640 -0.484 -1.787 137PRO HB2 1953 -0.612 -0.646 -1.716 137PRO CG 1954 -0.449 -0.500 -1.689 137PRO HG1 1955 -0.397 -0.570 -1.620 137PRO HG2 1956 -0.397 -0.500 -1.787 137PRO C 1957 -0.638 -0.576 -1.453 137PRO O 1958 -0.587 -0.535 -1.350 138CYS N 1959 -0.676 -0.705 -1.470 138CYS HN 1960 -0.717 -0.734 -1.554 138CYS CA 1961 -0.653 -0.811 -1.373 138CYS HA 1962 -0.704 -0.785 -1.281 138CYS CB 1963 -0.705 -0.947 -1.427 138CYS HB1 1964 -0.687 -1.026 -1.350 138CYS HB2 1965 -0.646 -0.974 -1.518 138CYS SG 1966 -0.881 -0.947 -1.471 138CYS C 1967 -0.506 -0.832 -1.341 138CYS O 1968 -0.421 -0.831 -1.431 139GLY N 1969 -0.474 -0.854 -1.212 139GLY HN 1970 -0.549 -0.860 -1.144 139GLY CA 1971 -0.339 -0.885 -1.167 139GLY HA1 1972 -0.281 -0.924 -1.249 139GLY HA2 1973 -0.347 -0.956 -1.086 139GLY C 1974 -0.260 -0.767 -1.117 139GLY O 1975 -0.150 -0.782 -1.067 140LEU N 1976 -0.317 -0.646 -1.130 140LEU HN 1977 -0.408 -0.640 -1.170 140LEU CA 1978 -0.255 -0.523 -1.088 140LEU HA 1979 -0.155 -0.542 -1.051 140LEU CB 1980 -0.248 -0.416 -1.201 140LEU HB1 1981 -0.231 -0.315 -1.155 140LEU HB2 1982 -0.344 -0.412 -1.255 140LEU CG 1983 -0.131 -0.433 -1.301 140LEU HG 1984 -0.037 -0.448 -1.241 140LEU CD1 1985 -0.146 -0.555 -1.393 140LEU HD11 1986 -0.243 -0.551 -1.448 140LEU HD12 1987 -0.142 -0.649 -1.335 140LEU HD13 1988 -0.063 -0.557 -1.467 140LEU CD2 1989 -0.113 -0.305 -1.383 140LEU HD21 1990 -0.085 -0.220 -1.317 140LEU HD22 1991 -0.207 -0.279 -1.436 140LEU HD23 1992 -0.033 -0.319 -1.458 140LEU C 1993 -0.333 -0.466 -0.973 140LEU O 1994 -0.452 -0.495 -0.955 141ASN N 1995 -0.268 -0.383 -0.891 141ASN HN 1996 -0.169 -0.366 -0.903 141ASN CA 1997 -0.331 -0.316 -0.780 141ASN HA 1998 -0.437 -0.302 -0.801 141ASN CB 1999 -0.315 -0.403 -0.653 141ASN HB1 2000 -0.207 -0.424 -0.635 141ASN HB2 2001 -0.367 -0.499 -0.673 141ASN CG 2002 -0.376 -0.344 -0.526 141ASN OD1 2003 -0.436 -0.236 -0.525 141ASN ND2 2004 -0.361 -0.418 -0.414 141ASN HD21 2005 -0.395 -0.381 -0.328 141ASN HD22 2006 -0.310 -0.504 -0.419 141ASN C 2007 -0.268 -0.178 -0.771 141ASN O 2008 -0.149 -0.163 -0.752 142GLY N 2009 -0.352 -0.074 -0.789 142GLY HN 2010 -0.449 -0.091 -0.806 142GLY CA 2011 -0.316 0.063 -0.755 142GLY HA1 2012 -0.363 0.128 -0.826 142GLY HA2 2013 -0.208 0.075 -0.749 142GLY C 2014 -0.375 0.091 -0.621 142GLY O 2015 -0.496 0.102 -0.607 143ALA N 2016 -0.289 0.106 -0.519 143ALA HN 2017 -0.191 0.105 -0.533 143ALA CA 2018 -0.333 0.113 -0.381 143ALA HA 2019 -0.440 0.098 -0.376 143ALA CB 2020 -0.266 0.004 -0.296 143ALA HB1 2021 -0.156 0.015 -0.295 143ALA HB2 2022 -0.290 -0.097 -0.338 143ALA HB3 2023 -0.303 0.006 -0.191 143ALA C 2024 -0.303 0.249 -0.323 143ALA O 2025 -0.207 0.319 -0.360 144LEU N 2026 -0.389 0.292 -0.229 144LEU HN 2027 -0.462 0.230 -0.199 144LEU CA 2028 -0.369 0.411 -0.151 144LEU HA 2029 -0.264 0.439 -0.153 144LEU CB 2030 -0.457 0.530 -0.200 144LEU HB1 2031 -0.564 0.501 -0.199 144LEU HB2 2032 -0.428 0.547 -0.306 144LEU CG 2033 -0.438 0.663 -0.123 144LEU HG 2034 -0.331 0.669 -0.093 144LEU CD1 2035 -0.469 0.782 -0.215 144LEU HD11 2036 -0.575 0.779 -0.246 144LEU HD12 2037 -0.406 0.779 -0.306 144LEU HD13 2038 -0.449 0.878 -0.162 144LEU CD2 2039 -0.526 0.673 0.003 144LEU HD21 2040 -0.504 0.592 0.076 144LEU HD22 2041 -0.634 0.666 -0.024 144LEU HD23 2042 -0.508 0.769 0.055 144LEU C 2043 -0.403 0.371 -0.010 144LEU O 2044 -0.511 0.318 0.016 145TYR N 2045 -0.312 0.394 0.085 145TYR HN 2046 -0.225 0.441 0.066 145TYR CA 2047 -0.326 0.335 0.215 145TYR HA 2048 -0.428 0.346 0.248 145TYR CB 2049 -0.293 0.182 0.214 145TYR HB1 2050 -0.360 0.131 0.142 145TYR HB2 2051 -0.312 0.135 0.313 145TYR CG 2052 -0.152 0.149 0.174 145TYR CD1 2053 -0.112 0.154 0.040 145TYR HD1 2054 -0.182 0.185 -0.036 145TYR CE1 2055 0.017 0.114 0.002 145TYR HE1 2056 0.047 0.119 -0.101 145TYR CZ 2057 0.105 0.063 0.099 145TYR OH 2058 0.232 0.016 0.063 145TYR HH 2059 0.264 -0.035 0.140 145TYR CD2 2060 -0.063 0.098 0.270 145TYR HD2 2061 -0.096 0.084 0.372 145TYR CE2 2062 0.065 0.055 0.233 145TYR HE2 2063 0.130 0.012 0.308 145TYR C 2064 -0.243 0.413 0.314 145TYR O 2065 -0.169 0.504 0.279 146PHE N 2066 -0.261 0.383 0.444 146PHE HN 2067 -0.322 0.307 0.468 146PHE CA 2068 -0.187 0.444 0.551 146PHE HA 2069 -0.107 0.505 0.511 146PHE CB 2070 -0.276 0.528 0.646 146PHE HB1 2071 -0.218 0.562 0.734 146PHE HB2 2072 -0.361 0.467 0.683 146PHE CG 2073 -0.330 0.650 0.579 146PHE CD1 2074 -0.261 0.772 0.591 146PHE HD1 2075 -0.167 0.775 0.644 146PHE CE1 2076 -0.313 0.889 0.535 146PHE HE1 2077 -0.258 0.980 0.542 146PHE CZ 2078 -0.435 0.886 0.468 146PHE HZ 2079 -0.475 0.976 0.424 146PHE CD2 2080 -0.454 0.648 0.512 146PHE HD2 2081 -0.507 0.555 0.505 146PHE CE2 2082 -0.506 0.765 0.456 146PHE HE2 2083 -0.601 0.763 0.405 146PHE C 2084 -0.123 0.336 0.635 146PHE O 2085 -0.179 0.229 0.653 147VAL N 2086 -0.005 0.365 0.693 147VAL HN 2087 0.040 0.452 0.676 147VAL CA 2088 0.066 0.272 0.779 147VAL HA 2089 -0.003 0.201 0.822 147VAL CB 2090 0.176 0.193 0.707 147VAL HB 2091 0.238 0.137 0.781 147VAL CG1 2092 0.114 0.087 0.615 147VAL HG11 2093 0.056 0.134 0.533 147VAL HG12 2094 0.046 0.020 0.671 147VAL HG13 2095 0.193 0.024 0.568 147VAL CG2 2096 0.267 0.287 0.627 147VAL HG21 2097 0.314 0.364 0.692 147VAL HG22 2098 0.209 0.339 0.548 147VAL HG23 2099 0.348 0.229 0.578 147VAL C 2100 0.127 0.350 0.893 147VAL O 2101 0.162 0.467 0.880 148SER N 2102 0.138 0.289 1.013 148SER HN 2103 0.105 0.194 1.022 148SER CA 2104 0.196 0.354 1.129 148SER HA 2105 0.168 0.458 1.128 148SER CB 2106 0.146 0.296 1.264 148SER HB1 2107 0.202 0.340 1.349 148SER HB2 2108 0.163 0.185 1.264 148SER OG 2109 0.007 0.322 1.285 148SER HG1 2110 -0.004 0.417 1.279 148SER C 2111 0.349 0.352 1.130 148SER O 2112 0.412 0.289 1.214 149MET N 2113 0.410 0.427 1.036 149MET HN 2114 0.354 0.478 0.971 149MET CA 2115 0.553 0.449 1.028 149MET HA 2116 0.603 0.359 1.059 149MET CB 2117 0.598 0.483 0.883 149MET HB1 2118 0.705 0.515 0.883 149MET HB2 2119 0.537 0.568 0.846 149MET CG 2120 0.588 0.365 0.785 149MET HG1 2121 0.492 0.311 0.804 149MET HG2 2122 0.669 0.292 0.807 149MET SD 2123 0.593 0.413 0.609 149MET CE 2124 0.757 0.488 0.603 149MET HE1 2125 0.836 0.416 0.634 149MET HE2 2126 0.763 0.576 0.671 149MET HE3 2127 0.781 0.524 0.501 149MET C 2128 0.598 0.559 1.122 149MET O 2129 0.518 0.635 1.177 150ASP N 2130 0.730 0.570 1.145 150ASP HN 2131 0.795 0.505 1.105 150ASP CA 2132 0.787 0.682 1.216 150ASP HA 2133 0.716 0.717 1.290 150ASP CB 2134 0.919 0.641 1.287 150ASP HB1 2135 0.960 0.728 1.342 150ASP HB2 2136 0.994 0.611 1.211 150ASP CG 2137 0.907 0.526 1.388 150ASP OD1 2138 0.806 0.517 1.464 150ASP OD2 2139 1.005 0.452 1.405 150ASP C 2140 0.814 0.796 1.117 150ASP O 2141 0.862 0.774 1.005 151ALA N 2142 0.788 0.923 1.156 151ALA HN 2143 0.743 0.936 1.243 151ALA CA 2144 0.794 1.041 1.070 151ALA HA 2145 0.721 1.026 0.991 151ALA CB 2146 0.755 1.168 1.150 151ALA HB1 2147 0.831 1.190 1.228 151ALA HB2 2148 0.657 1.152 1.198 151ALA HB3 2149 0.747 1.255 1.081 151ALA C 2150 0.929 1.068 1.006 151ALA O 2151 0.939 1.123 0.896 152ASP N 2152 1.038 1.033 1.076 152ASP HN 2153 1.030 0.984 1.163 152ASP CA 2154 1.173 1.060 1.034 152ASP HA 2155 1.173 1.142 0.964 152ASP CB 2156 1.259 1.099 1.159 152ASP HB1 2157 1.211 1.186 1.208 152ASP HB2 2158 1.361 1.128 1.125 152ASP CG 2159 1.277 0.990 1.264 152ASP OD1 2160 1.211 0.884 1.253 152ASP OD2 2161 1.358 1.010 1.359 152ASP C 2162 1.232 0.940 0.959 152ASP O 2163 1.344 0.946 0.909 153GLY N 2164 1.156 0.830 0.946 153GLY HN 2165 1.062 0.829 0.984 153GLY CA 2166 1.200 0.707 0.881 153GLY HA1 2167 1.263 0.732 0.797 153GLY HA2 2168 1.111 0.652 0.852 153GLY C 2169 1.279 0.618 0.973 153GLY O 2170 1.339 0.521 0.929 154GLY N 2171 1.279 0.649 1.104 154GLY HN 2172 1.233 0.733 1.137 154GLY CA 2173 1.341 0.567 1.208 154GLY HA1 2174 1.348 0.464 1.175 154GLY HA2 2175 1.279 0.577 1.296 154GLY C 2176 1.480 0.611 1.247 154GLY O 2177 1.553 0.539 1.312 155VAL N 2178 1.521 0.733 1.206 155VAL HN 2179 1.457 0.791 1.156 155VAL CA 2180 1.653 0.789 1.234 155VAL HA 2181 1.728 0.719 1.198 155VAL CB 2182 1.674 0.923 1.163 155VAL HB 2183 1.593 0.993 1.193 155VAL CG1 2184 1.811 0.986 1.196 155VAL HG11 2185 1.893 0.915 1.170 155VAL HG12 2186 1.821 1.012 1.303 155VAL HG13 2187 1.826 1.079 1.136 155VAL CG2 2188 1.665 0.899 1.011 155VAL HG21 2189 1.566 0.858 0.983 155VAL HG22 2190 1.744 0.828 0.979 155VAL HG23 2191 1.679 0.995 0.956 155VAL C 2192 1.681 0.805 1.383 155VAL O 2193 1.786 0.771 1.434 156SER N 2194 1.582 0.859 1.458 156SER HN 2195 1.497 0.891 1.415 156SER CA 2196 1.592 0.876 1.602 156SER HA 2197 1.682 0.934 1.621 156SER CB 2198 1.471 0.954 1.659 156SER HB1 2199 1.472 1.057 1.615 156SER HB2 2200 1.479 0.965 1.770 156SER OG 2201 1.346 0.894 1.624 156SER HG1 2202 1.329 0.917 1.531 156SER C 2203 1.610 0.748 1.684 156SER O 2204 1.691 0.742 1.775 157LYS N 2205 1.532 0.643 1.650 157LYS HN 2206 1.466 0.654 1.577 157LYS CA 2207 1.538 0.513 1.714 157LYS HA 2208 1.539 0.528 1.822 157LYS CB 2209 1.414 0.428 1.676 157LYS HB1 2210 1.424 0.326 1.719 157LYS HB2 2211 1.410 0.419 1.565 157LYS CG 2212 1.281 0.485 1.725 157LYS HG1 2213 1.266 0.588 1.685 157LYS HG2 2214 1.282 0.493 1.837 157LYS CD 2215 1.163 0.398 1.681 157LYS HD1 2216 1.178 0.294 1.720 157LYS HD2 2217 1.165 0.392 1.570 157LYS CE 2218 1.027 0.451 1.727 157LYS HE1 2219 1.011 0.555 1.689 157LYS HE2 2220 1.020 0.452 1.838 157LYS NZ 2221 0.918 0.368 1.673 157LYS HZ1 2222 0.932 0.268 1.700 157LYS HZ2 2223 0.918 0.381 1.568 157LYS HZ3 2224 0.827 0.403 1.708 157LYS C 2225 1.663 0.433 1.681 157LYS O 2226 1.719 0.361 1.763 158TYR N 2227 1.708 0.447 1.554 158TYR HN 2228 1.663 0.509 1.490 158TYR CA 2229 1.814 0.365 1.498 158TYR HA 2230 1.856 0.301 1.574 158TYR CB 2231 1.758 0.273 1.385 158TYR HB1 2232 1.833 0.198 1.356 158TYR HB2 2233 1.732 0.334 1.295 158TYR CG 2234 1.631 0.203 1.430 158TYR CD1 2235 1.633 0.119 1.542 158TYR HD1 2236 1.725 0.101 1.594 158TYR CE1 2237 1.513 0.064 1.592 158TYR HE1 2238 1.515 0.003 1.681 158TYR CZ 2239 1.391 0.090 1.528 158TYR OH 2240 1.270 0.038 1.577 158TYR HH 2241 1.203 0.052 1.507 158TYR CD2 2242 1.509 0.225 1.364 158TYR HD2 2243 1.506 0.289 1.277 158TYR CE2 2244 1.390 0.170 1.413 158TYR HE2 2245 1.296 0.191 1.363 158TYR C 2246 1.923 0.455 1.443 158TYR O 2247 1.912 0.499 1.324 159PRO N 2248 2.033 0.484 1.511 159PRO CD 2249 2.044 0.459 1.656 159PRO HD1 2250 2.097 0.362 1.670 159PRO HD2 2251 1.946 0.457 1.708 159PRO CA 2252 2.126 0.589 1.469 159PRO HA 2253 2.069 0.677 1.444 159PRO CB 2254 2.218 0.608 1.591 159PRO HB1 2255 2.259 0.711 1.595 159PRO HB2 2256 2.302 0.535 1.589 159PRO CG 2257 2.126 0.576 1.709 159PRO HG1 2258 2.179 0.554 1.803 159PRO HG2 2259 2.058 0.663 1.726 159PRO C 2260 2.211 0.552 1.349 159PRO O 2261 2.278 0.639 1.292 160THR N 2262 2.215 0.423 1.311 160THR HN 2263 2.163 0.354 1.360 160THR CA 2264 2.288 0.373 1.195 160THR HA 2265 2.382 0.426 1.188 160THR CB 2266 2.316 0.224 1.203 160THR HB 2267 2.342 0.180 1.104 160THR OG1 2268 2.206 0.154 1.260 160THR HG1 2269 2.169 0.101 1.187 160THR CG2 2270 2.437 0.202 1.296 160THR HG21 2271 2.414 0.237 1.399 160THR HG22 2272 2.525 0.257 1.258 160THR HG23 2273 2.462 0.094 1.301 160THR C 2274 2.213 0.402 1.066 160THR O 2275 2.270 0.402 0.957 161ASN N 2276 2.083 0.435 1.078 161ASN HN 2277 2.040 0.440 1.168 161ASN CA 2278 2.007 0.493 0.971 161ASN HA 2279 2.041 0.453 0.876 161ASN CB 2280 1.856 0.461 0.990 161ASN HB1 2281 1.820 0.507 1.085 161ASN HB2 2282 1.843 0.352 0.998 161ASN CG 2283 1.772 0.511 0.874 161ASN OD1 2284 1.823 0.550 0.768 161ASN ND2 2285 1.638 0.514 0.894 161ASN HD21 2286 1.579 0.535 0.817 161ASN HD22 2287 1.600 0.491 0.984 161ASN C 2288 2.030 0.643 0.972 161ASN O 2289 1.990 0.714 1.064 162THR N 2290 2.097 0.696 0.869 162THR HN 2291 2.135 0.637 0.799 162THR CA 2292 2.121 0.839 0.853 162THR HA 2293 2.068 0.894 0.930 162THR CB 2294 2.269 0.878 0.862 162THR HB 2295 2.281 0.988 0.841 162THR OG1 2296 2.352 0.804 0.773 162THR HG1 2297 2.430 0.860 0.765 162THR CG2 2298 2.319 0.850 1.004 162THR HG21 2299 2.313 0.742 1.028 162THR HG22 2300 2.257 0.905 1.078 162THR HG23 2301 2.424 0.883 1.015 162THR C 2302 2.064 0.885 0.722 162THR O 2303 2.096 0.993 0.672 163ALA N 2304 1.977 0.803 0.661 163ALA HN 2305 1.947 0.718 0.706 163ALA CA 2306 1.917 0.832 0.533 163ALA HA 2307 1.972 0.910 0.482 163ALA CB 2308 1.919 0.703 0.449 163ALA HB1 2309 1.849 0.627 0.490 163ALA HB2 2310 2.021 0.660 0.447 163ALA HB3 2311 1.890 0.725 0.344 163ALA C 2312 1.775 0.881 0.553 163ALA O 2313 1.730 0.977 0.487 164GLY N 2314 1.703 0.821 0.649 164GLY HN 2315 1.741 0.740 0.695 164GLY CA 2316 1.570 0.860 0.691 164GLY HA1 2317 1.579 0.959 0.734 164GLY HA2 2318 1.535 0.787 0.762 164GLY C 2319 1.464 0.870 0.585 164GLY O 2320 1.470 0.806 0.478 165ALA N 2321 1.362 0.952 0.612 165ALA HN 2322 1.359 0.997 0.701 165ALA CA 2323 1.245 0.971 0.528 165ALA HA 2324 1.198 0.874 0.516 165ALA CB 2325 1.148 1.068 0.597 165ALA HB1 2326 1.194 1.168 0.608 165ALA HB2 2327 1.120 1.029 0.697 165ALA HB3 2328 1.054 1.077 0.538 165ALA C 2329 1.278 1.020 0.387 165ALA O 2330 1.210 0.985 0.290 166LYS N 2331 1.387 1.098 0.373 166LYS HN 2332 1.443 1.115 0.453 166LYS CA 2333 1.437 1.151 0.246 166LYS HA 2334 1.357 1.207 0.200 166LYS CB 2335 1.559 1.244 0.272 166LYS HB1 2336 1.640 1.185 0.320 166LYS HB2 2337 1.526 1.322 0.344 166LYS CG 2338 1.611 1.313 0.144 166LYS HG1 2339 1.523 1.354 0.090 166LYS HG2 2340 1.657 1.236 0.077 166LYS CD 2341 1.713 1.425 0.170 166LYS HD1 2342 1.804 1.380 0.218 166LYS HD2 2343 1.667 1.497 0.242 166LYS CE 2344 1.754 1.499 0.041 166LYS HE1 2345 1.663 1.546 -0.004 166LYS HE2 2346 1.797 1.428 -0.032 166LYS NZ 2347 1.854 1.606 0.066 166LYS HZ1 2348 1.942 1.567 0.106 166LYS HZ2 2349 1.818 1.677 0.133 166LYS HZ3 2350 1.878 1.656 -0.023 166LYS C 2351 1.475 1.042 0.147 166LYS O 2352 1.467 1.059 0.025 167TYR N 2353 1.520 0.925 0.195 167TYR HN 2354 1.526 0.910 0.294 167TYR CA 2355 1.554 0.814 0.109 167TYR HA 2356 1.541 0.842 0.005 167TYR CB 2357 1.701 0.770 0.125 167TYR HB1 2358 1.722 0.676 0.069 167TYR HB2 2359 1.721 0.752 0.233 167TYR CG 2360 1.795 0.877 0.074 167TYR CD1 2361 1.851 0.867 -0.054 167TYR HD1 2362 1.828 0.783 -0.117 167TYR CE1 2363 1.937 0.967 -0.103 167TYR HE1 2364 1.980 0.958 -0.202 167TYR CZ 2365 1.966 1.079 -0.024 167TYR OH 2366 2.051 1.179 -0.075 167TYR HH 2367 2.094 1.142 -0.152 167TYR CD2 2368 1.829 0.988 0.153 167TYR HD2 2369 1.786 0.997 0.252 167TYR CE2 2370 1.913 1.089 0.105 167TYR HE2 2371 1.938 1.174 0.166 167TYR C 2372 1.457 0.699 0.127 167TYR O 2373 1.485 0.585 0.090 168GLY N 2374 1.336 0.727 0.182 168GLY HN 2375 1.316 0.820 0.213 168GLY CA 2376 1.225 0.633 0.184 168GLY HA1 2377 1.213 0.591 0.086 168GLY HA2 2378 1.137 0.687 0.216 168GLY C 2379 1.242 0.517 0.278 168GLY O 2380 1.198 0.406 0.248 169THR N 2381 1.310 0.537 0.392 169THR HN 2382 1.347 0.627 0.414 169THR CA 2383 1.336 0.429 0.487 169THR HA 2384 1.337 0.336 0.432 169THR CB 2385 1.470 0.440 0.561 169THR HB 2386 1.490 0.345 0.617 169THR OG1 2387 1.475 0.547 0.655 169THR HG1 2388 1.393 0.540 0.707 169THR CG2 2389 1.583 0.459 0.459 169THR HG21 2390 1.569 0.553 0.402 169THR HG22 2391 1.584 0.374 0.388 169THR HG23 2392 1.681 0.465 0.511 169THR C 2393 1.226 0.418 0.591 169THR O 2394 1.156 0.516 0.621 170GLY N 2395 1.214 0.300 0.654 170GLY HN 2396 1.261 0.219 0.617 170GLY CA 2397 1.136 0.282 0.775 170GLY HA1 2398 1.119 0.377 0.823 170GLY HA2 2399 1.191 0.213 0.839 170GLY C 2400 1.003 0.221 0.750 170GLY O 2401 0.918 0.221 0.839 171TYR N 2402 0.981 0.165 0.630 171TYR HN 2403 1.051 0.165 0.560 171TYR CA 2404 0.855 0.104 0.592 171TYR HA 2405 0.779 0.180 0.607 171TYR CB 2406 0.854 0.067 0.441 171TYR HB1 2407 0.935 -0.007 0.421 171TYR HB2 2408 0.876 0.158 0.381 171TYR CG 2409 0.722 0.011 0.394 171TYR CD1 2410 0.605 0.090 0.392 171TYR HD1 2411 0.610 0.192 0.426 171TYR CE1 2412 0.484 0.038 0.345 171TYR HE1 2413 0.395 0.098 0.345 171TYR CZ 2414 0.479 -0.094 0.299 171TYR OH 2415 0.360 -0.150 0.247 171TYR HH 2416 0.359 -0.244 0.274 171TYR CD2 2417 0.713 -0.122 0.350 171TYR HD2 2418 0.801 -0.184 0.352 171TYR CE2 2419 0.592 -0.175 0.303 171TYR HE2 2420 0.587 -0.277 0.269 171TYR C 2421 0.814 -0.013 0.683 171TYR O 2422 0.896 -0.086 0.738 172CYS N 2423 0.682 -0.028 0.702 172CYS HN 2424 0.614 0.031 0.658 172CYS CA 2425 0.626 -0.135 0.779 172CYS HA 2426 0.679 -0.227 0.756 172CYS CB 2427 0.632 -0.104 0.931 172CYS HB1 2428 0.739 -0.097 0.957 172CYS HB2 2429 0.589 -0.189 0.987 172CYS SG 2430 0.552 0.053 0.980 172CYS C 2431 0.485 -0.153 0.731 172CYS O 2432 0.425 -0.057 0.682 173ASP N 2433 0.430 -0.274 0.743 173ASP HN 2434 0.480 -0.351 0.784 173ASP CA 2435 0.294 -0.304 0.704 173ASP HA 2436 0.231 -0.225 0.745 173ASP CB 2437 0.273 -0.303 0.550 173ASP HB1 2438 0.316 -0.212 0.506 173ASP HB2 2439 0.163 -0.298 0.532 173ASP CG 2440 0.320 -0.423 0.469 173ASP OD1 2441 0.288 -0.540 0.510 173ASP OD2 2442 0.377 -0.402 0.361 173ASP C 2443 0.253 -0.430 0.777 173ASP O 2444 0.328 -0.486 0.857 174SER N 2445 0.128 -0.475 0.756 174SER HN 2446 0.071 -0.433 0.684 174SER CA 2447 0.067 -0.583 0.831 174SER HA 2448 0.097 -0.572 0.934 174SER CB 2449 -0.087 -0.572 0.827 174SER HB1 2450 -0.116 -0.469 0.859 174SER HB2 2451 -0.132 -0.643 0.898 174SER OG 2452 -0.140 -0.595 0.696 174SER HG1 2453 -0.128 -0.513 0.642 174SER C 2454 0.109 -0.723 0.788 174SER O 2455 0.090 -0.821 0.862 175GLN N 2456 0.176 -0.737 0.672 175GLN HN 2457 0.191 -0.658 0.610 175GLN CA 2458 0.241 -0.861 0.632 175GLN HA 2459 0.177 -0.945 0.658 175GLN CB 2460 0.277 -0.863 0.480 175GLN HB1 2461 0.323 -0.961 0.456 175GLN HB2 2462 0.352 -0.784 0.459 175GLN CG 2463 0.159 -0.839 0.385 175GLN HG1 2464 0.186 -0.865 0.281 175GLN HG2 2465 0.133 -0.731 0.387 175GLN CD 2466 0.039 -0.923 0.427 175GLN OE1 2467 0.048 -1.046 0.420 175GLN NE2 2468 -0.072 -0.857 0.469 175GLN HE21 2469 -0.072 -0.756 0.468 175GLN HE22 2470 -0.154 -0.905 0.497 175GLN C 2471 0.372 -0.878 0.704 175GLN O 2472 0.433 -0.985 0.703 176CYS N 2473 0.419 -0.768 0.765 176CYS HN 2474 0.362 -0.686 0.761 176CYS CA 2475 0.548 -0.755 0.827 176CYS HA 2476 0.554 -0.652 0.859 176CYS CB 2477 0.559 -0.840 0.956 176CYS HB1 2478 0.655 -0.817 1.005 176CYS HB2 2479 0.558 -0.948 0.929 176CYS SG 2480 0.421 -0.809 1.071 176CYS C 2481 0.665 -0.779 0.732 176CYS O 2482 0.749 -0.865 0.760 177PRO N 2483 0.674 -0.706 0.619 177PRO CD 2484 0.601 -0.582 0.595 177PRO HD1 2485 0.575 -0.526 0.687 177PRO HD2 2486 0.508 -0.609 0.540 177PRO CA 2487 0.758 -0.737 0.504 177PRO HA 2488 0.716 -0.825 0.458 177PRO CB 2489 0.745 -0.615 0.411 177PRO HB1 2490 0.666 -0.637 0.335 177PRO HB2 2491 0.838 -0.587 0.358 177PRO CG 2492 0.693 -0.504 0.503 177PRO HG1 2493 0.776 -0.461 0.562 177PRO HG2 2494 0.639 -0.424 0.448 177PRO C 2495 0.902 -0.772 0.535 177PRO O 2496 0.974 -0.696 0.599 178ARG N 2497 0.946 -0.889 0.484 178ARG HN 2498 0.883 -0.946 0.433 178ARG CA 2499 1.080 -0.940 0.504 178ARG HA 2500 1.128 -0.887 0.585 178ARG CB 2501 1.076 -1.092 0.535 178ARG HB1 2502 1.180 -1.132 0.539 178ARG HB2 2503 1.023 -1.142 0.452 178ARG CG 2504 1.006 -1.131 0.667 178ARG HG1 2505 0.910 -1.077 0.676 178ARG HG2 2506 1.069 -1.099 0.754 178ARG CD 2507 0.975 -1.281 0.679 178ARG HD1 2508 0.908 -1.312 0.595 178ARG HD2 2509 0.924 -1.303 0.776 178ARG NE 2510 1.100 -1.361 0.673 178ARG HE 2511 1.190 -1.312 0.662 178ARG CZ 2512 1.109 -1.491 0.679 178ARG NH1 2513 0.994 -1.568 0.691 178ARG HH11 2514 0.909 -1.521 0.691 178ARG HH12 2515 0.999 -1.666 0.693 178ARG NH2 2516 1.219 -1.553 0.675 178ARG HH21 2517 1.303 -1.494 0.659 178ARG HH22 2518 1.223 -1.651 0.683 178ARG C 2519 1.164 -0.921 0.379 178ARG O 2520 1.278 -0.964 0.373 179ASP N 2521 1.110 -0.853 0.275 179ASP HN 2522 1.018 -0.814 0.278 179ASP CA 2523 1.181 -0.830 0.152 179ASP HA 2524 1.256 -0.906 0.138 179ASP CB 2525 1.082 -0.839 0.030 179ASP HB1 2526 1.031 -0.937 0.032 179ASP HB2 2527 1.142 -0.833 -0.063 179ASP CG 2528 0.976 -0.730 0.023 179ASP OD1 2529 0.964 -0.647 0.115 179ASP OD2 2530 0.901 -0.729 -0.080 179ASP C 2531 1.254 -0.696 0.157 179ASP O 2532 1.333 -0.661 0.070 180LEU N 2533 1.230 -0.617 0.264 180LEU HN 2534 1.159 -0.644 0.329 180LEU CA 2535 1.297 -0.492 0.288 180LEU HA 2536 1.285 -0.433 0.198 180LEU CB 2537 1.237 -0.411 0.405 180LEU HB1 2538 1.284 -0.310 0.408 180LEU HB2 2539 1.260 -0.462 0.501 180LEU CG 2540 1.084 -0.392 0.398 180LEU HG 2541 1.037 -0.493 0.406 180LEU CD1 2542 1.036 -0.309 0.518 180LEU HD11 2543 1.082 -0.208 0.518 180LEU HD12 2544 1.064 -0.360 0.613 180LEU HD13 2545 0.926 -0.298 0.516 180LEU CD2 2546 1.038 -0.329 0.266 180LEU HD21 2547 1.071 -0.391 0.179 180LEU HD22 2548 1.078 -0.226 0.255 180LEU HD23 2549 0.927 -0.326 0.262 180LEU C 2550 1.446 -0.511 0.309 180LEU O 2551 1.492 -0.593 0.387 181LYS N 2552 1.526 -0.432 0.235 181LYS HN 2553 1.486 -0.368 0.170 181LYS CA 2554 1.669 -0.448 0.238 181LYS HA 2555 1.691 -0.554 0.248 181LYS CB 2556 1.729 -0.403 0.103 181LYS HB1 2557 1.838 -0.386 0.111 181LYS HB2 2558 1.681 -0.306 0.076 181LYS CG 2559 1.704 -0.507 -0.007 181LYS HG1 2560 1.596 -0.532 -0.013 181LYS HG2 2561 1.757 -0.602 0.021 181LYS CD 2562 1.753 -0.464 -0.146 181LYS HD1 2563 1.743 -0.553 -0.212 181LYS HD2 2564 1.861 -0.438 -0.139 181LYS CE 2565 1.673 -0.348 -0.206 181LYS HE1 2566 1.687 -0.255 -0.147 181LYS HE2 2567 1.564 -0.374 -0.208 181LYS NZ 2568 1.714 -0.319 -0.345 181LYS HZ1 2569 1.706 -0.403 -0.405 181LYS HZ2 2570 1.811 -0.284 -0.346 181LYS HZ3 2571 1.651 -0.245 -0.386 181LYS C 2572 1.737 -0.384 0.358 181LYS O 2573 1.845 -0.424 0.398 182PHE N 2574 1.669 -0.286 0.421 182PHE HN 2575 1.579 -0.259 0.389 182PHE CA 2576 1.717 -0.225 0.543 182PHE HA 2577 1.789 -0.290 0.589 182PHE CB 2578 1.780 -0.084 0.523 182PHE HB1 2579 1.805 -0.038 0.620 182PHE HB2 2580 1.709 -0.018 0.469 182PHE CG 2581 1.907 -0.095 0.443 182PHE CD1 2582 2.030 -0.119 0.507 182PHE HD1 2583 2.032 -0.130 0.615 182PHE CE1 2584 2.148 -0.131 0.434 182PHE HE1 2585 2.241 -0.152 0.484 182PHE CZ 2586 2.145 -0.117 0.294 182PHE HZ 2587 2.237 -0.127 0.237 182PHE CD2 2588 1.906 -0.078 0.304 182PHE HD2 2589 1.813 -0.058 0.254 182PHE CE2 2590 2.024 -0.090 0.229 182PHE HE2 2591 2.021 -0.078 0.122 182PHE C 2592 1.604 -0.214 0.643 182PHE O 2593 1.500 -0.152 0.615 183ILE N 2594 1.621 -0.272 0.762 183ILE HN 2595 1.709 -0.317 0.783 183ILE CA 2596 1.523 -0.273 0.870 183ILE HA 2597 1.448 -0.198 0.850 183ILE CB 2598 1.451 -0.407 0.887 183ILE HB 2599 1.526 -0.487 0.910 183ILE CG2 2600 1.350 -0.398 1.004 183ILE HG21 2601 1.275 -0.318 0.985 183ILE HG22 2602 1.400 -0.377 1.101 183ILE HG23 2603 1.295 -0.494 1.016 183ILE CG1 2604 1.379 -0.450 0.756 183ILE HG11 2605 1.452 -0.449 0.671 183ILE HG12 2606 1.300 -0.375 0.732 183ILE CD 2607 1.318 -0.590 0.761 183ILE HD1 2608 1.237 -0.596 0.836 183ILE HD2 2609 1.395 -0.666 0.786 183ILE HD3 2610 1.274 -0.618 0.662 183ILE C 2611 1.598 -0.235 0.997 183ILE O 2612 1.701 -0.292 1.030 184ASN N 2613 1.549 -0.131 1.069 184ASN HN 2614 1.464 -0.089 1.041 184ASN CA 2615 1.606 -0.084 1.195 184ASN HA 2616 1.548 0.003 1.222 184ASN CB 2617 1.595 -0.185 1.313 184ASN HB1 2618 1.652 -0.149 1.401 184ASN HB2 2619 1.637 -0.284 1.283 184ASN CG 2620 1.450 -0.201 1.354 184ASN OD1 2621 1.355 -0.166 1.286 184ASN ND2 2622 1.432 -0.254 1.478 184ASN HD21 2623 1.337 -0.268 1.505 184ASN HD22 2624 1.512 -0.284 1.529 184ASN C 2625 1.748 -0.030 1.185 184ASN O 2626 1.829 -0.038 1.276 185GLY N 2627 1.779 0.031 1.068 185GLY HN 2628 1.712 0.028 0.996 185GLY CA 2629 1.909 0.090 1.040 185GLY HA1 2630 1.939 0.152 1.123 185GLY HA2 2631 1.901 0.145 0.947 185GLY C 2632 2.019 -0.011 1.020 185GLY O 2633 2.135 0.020 1.029 186GLN N 2634 1.979 -0.137 0.991 186GLN HN 2635 1.882 -0.160 0.987 186GLN CA 2636 2.067 -0.247 0.966 186GLN HA 2637 2.169 -0.214 0.955 186GLN CB 2638 2.057 -0.356 1.076 186GLN HB1 2639 2.137 -0.431 1.055 186GLN HB2 2640 1.958 -0.407 1.069 186GLN CG 2641 2.076 -0.303 1.219 186GLN HG1 2642 1.993 -0.237 1.249 186GLN HG2 2643 2.171 -0.245 1.226 186GLN CD 2644 2.086 -0.419 1.318 186GLN OE1 2645 2.189 -0.439 1.383 186GLN NE2 2646 1.978 -0.499 1.330 186GLN HE21 2647 1.985 -0.577 1.392 186GLN HE22 2648 1.898 -0.481 1.274 186GLN C 2649 2.020 -0.308 0.836 186GLN O 2650 1.907 -0.280 0.792 187ALA N 2651 2.102 -0.389 0.770 187ALA HN 2652 2.194 -0.411 0.805 187ALA CA 2653 2.059 -0.461 0.652 187ALA HA 2654 1.993 -0.397 0.595 187ALA CB 2655 2.179 -0.497 0.563 187ALA HB1 2656 2.247 -0.567 0.614 187ALA HB2 2657 2.235 -0.404 0.539 187ALA HB3 2658 2.146 -0.542 0.466 187ALA C 2659 1.981 -0.586 0.689 187ALA O 2660 1.964 -0.618 0.806 188ASN N 2661 1.929 -0.656 0.587 188ASN HN 2662 1.937 -0.621 0.495 188ASN CA 2663 1.851 -0.777 0.605 188ASN HA 2664 1.847 -0.803 0.711 188ASN CB 2665 1.709 -0.752 0.549 188ASN HB1 2666 1.707 -0.761 0.439 188ASN HB2 2667 1.679 -0.648 0.576 188ASN CG 2668 1.605 -0.845 0.612 188ASN OD1 2669 1.632 -0.923 0.704 188ASN ND2 2670 1.480 -0.837 0.561 188ASN HD21 2671 1.408 -0.891 0.603 188ASN HD22 2672 1.462 -0.771 0.487 188ASN C 2673 1.922 -0.892 0.535 188ASN O 2674 1.862 -0.993 0.498 189VAL N 2675 2.054 -0.878 0.512 189VAL HN 2676 2.099 -0.798 0.549 189VAL CA 2677 2.140 -0.975 0.444 189VAL HA 2678 2.093 -0.995 0.349 189VAL CB 2679 2.279 -0.918 0.415 189VAL HB 2680 2.266 -0.829 0.349 189VAL CG1 2681 2.351 -0.871 0.544 189VAL HG11 2682 2.364 -0.955 0.615 189VAL HG12 2683 2.295 -0.791 0.595 189VAL HG13 2684 2.452 -0.833 0.520 189VAL CG2 2685 2.365 -1.021 0.339 189VAL HG21 2686 2.309 -1.064 0.254 189VAL HG22 2687 2.395 -1.105 0.406 189VAL HG23 2688 2.458 -0.973 0.301 189VAL C 2689 2.146 -1.109 0.514 189VAL O 2690 2.147 -1.215 0.449 190GLU N 2691 2.148 -1.113 0.649 190GLU HN 2692 2.146 -1.027 0.702 190GLU CA 2693 2.143 -1.236 0.724 190GLU HA 2694 2.222 -1.299 0.685 190GLU CB 2695 2.170 -1.216 0.874 190GLU HB1 2696 2.153 -1.312 0.929 190GLU HB2 2697 2.096 -1.143 0.913 190GLU CG 2698 2.314 -1.169 0.905 190GLU HG1 2699 2.338 -1.080 0.844 190GLU HG2 2700 2.385 -1.250 0.879 190GLU CD 2701 2.331 -1.131 1.052 190GLU OE1 2702 2.289 -1.211 1.140 190GLU OE2 2703 2.384 -1.020 1.078 190GLU C 2704 2.015 -1.314 0.706 190GLU O 2705 1.903 -1.267 0.739 191GLY N 2706 2.023 -1.436 0.654 191GLY HN 2707 2.114 -1.468 0.623 191GLY CA 2708 1.908 -1.521 0.627 191GLY HA1 2709 1.836 -1.510 0.707 191GLY HA2 2710 1.944 -1.621 0.615 191GLY C 2711 1.837 -1.486 0.500 191GLY O 2712 1.717 -1.513 0.487 192TRP N 2713 1.909 -1.428 0.403 192TRP HN 2714 2.006 -1.407 0.416 192TRP CA 2715 1.853 -1.387 0.276 192TRP HA 2716 1.752 -1.354 0.294 192TRP CB 2717 1.933 -1.267 0.218 192TRP HB1 2718 2.037 -1.300 0.198 192TRP HB2 2719 1.938 -1.190 0.299 192TRP CG 2720 1.876 -1.202 0.096 192TRP CD1 2721 1.905 -1.232 -0.035 192TRP HD1 2722 1.971 -1.313 -0.065 192TRP NE1 2723 1.835 -1.149 -0.118 192TRP HE1 2724 1.835 -1.151 -0.217 192TRP CE2 2725 1.758 -1.064 -0.044 192TRP CD2 2726 1.782 -1.094 0.093 192TRP CE3 2727 1.717 -1.019 0.191 192TRP HE3 2728 1.733 -1.040 0.296 192TRP CZ3 2729 1.628 -0.918 0.153 192TRP HZ3 2730 1.574 -0.862 0.228 192TRP CZ2 2731 1.671 -0.963 -0.082 192TRP HZ2 2732 1.651 -0.943 -0.186 192TRP CH2 2733 1.605 -0.891 0.018 192TRP HH2 2734 1.533 -0.814 -0.009 192TRP C 2735 1.847 -1.501 0.176 192TRP O 2736 1.946 -1.561 0.139 193GLU N 2737 1.723 -1.529 0.129 193GLU HN 2738 1.645 -1.479 0.165 193GLU CA 2739 1.697 -1.627 0.026 193GLU HA 2740 1.786 -1.684 0.003 193GLU CB 2741 1.588 -1.728 0.071 193GLU HB1 2742 1.552 -1.787 -0.016 193GLU HB2 2743 1.502 -1.670 0.111 193GLU CG 2744 1.635 -1.827 0.181 193GLU HG1 2745 1.548 -1.886 0.215 193GLU HG2 2746 1.677 -1.770 0.267 193GLU CD 2747 1.741 -1.928 0.136 193GLU OE1 2748 1.720 -1.990 0.026 193GLU OE2 2749 1.835 -1.953 0.213 193GLU C 2750 1.649 -1.553 -0.096 193GLU O 2751 1.539 -1.490 -0.088 194PRO N 2752 1.717 -1.546 -0.208 194PRO CD 2753 1.856 -1.594 -0.222 194PRO HD1 2754 1.852 -1.705 -0.233 194PRO HD2 2755 1.918 -1.565 -0.135 194PRO CA 2756 1.666 -1.498 -0.335 194PRO HA 2757 1.649 -1.391 -0.323 194PRO CB 2758 1.777 -1.528 -0.436 194PRO HB1 2759 1.782 -1.452 -0.516 194PRO HB2 2760 1.763 -1.628 -0.482 194PRO CG 2761 1.904 -1.530 -0.351 194PRO HG1 2762 1.986 -1.586 -0.400 194PRO HG2 2763 1.936 -1.425 -0.331 194PRO C 2764 1.531 -1.556 -0.377 194PRO O 2765 1.507 -1.677 -0.362 195SER N 2766 1.441 -1.472 -0.429 195SER HN 2767 1.457 -1.373 -0.434 195SER CA 2768 1.317 -1.517 -0.490 195SER HA 2769 1.269 -1.583 -0.420 195SER CB 2770 1.218 -1.402 -0.520 195SER HB1 2771 1.127 -1.440 -0.572 195SER HB2 2772 1.268 -1.326 -0.584 195SER OG 2773 1.177 -1.343 -0.397 195SER HG1 2774 1.152 -1.251 -0.418 195SER C 2775 1.341 -1.596 -0.617 195SER O 2776 1.431 -1.570 -0.695 196SER N 2777 1.257 -1.699 -0.640 196SER HN 2778 1.184 -1.722 -0.576 196SER CA 2779 1.281 -1.794 -0.748 196SER HA 2780 1.387 -1.803 -0.766 196SER CB 2781 1.224 -1.933 -0.711 196SER HB1 2782 1.247 -2.007 -0.790 196SER HB2 2783 1.113 -1.927 -0.701 196SER OG 2784 1.279 -1.978 -0.586 196SER HG1 2785 1.374 -1.988 -0.600 196SER C 2786 1.215 -1.751 -0.877 196SER O 2787 1.247 -1.802 -0.984 197ASN N 2788 1.122 -1.654 -0.869 197ASN HN 2789 1.096 -1.614 -0.781 197ASN CA 2790 1.045 -1.605 -0.982 197ASN HA 2791 1.078 -1.653 -1.073 197ASN CB 2792 0.894 -1.634 -0.960 197ASN HB1 2793 0.883 -1.743 -0.945 197ASN HB2 2794 0.837 -1.604 -1.051 197ASN CG 2795 0.830 -1.567 -0.838 197ASN OD1 2796 0.899 -1.523 -0.743 197ASN ND2 2797 0.696 -1.559 -0.837 197ASN HD21 2798 0.648 -1.519 -0.759 197ASN HD22 2799 0.644 -1.589 -0.918 197ASN C 2800 1.066 -1.456 -1.003 197ASN O 2801 1.002 -1.398 -1.090 198ASN N 2802 1.153 -1.391 -0.925 198ASN HN 2803 1.210 -1.440 -0.859 198ASN CA 2804 1.173 -1.249 -0.933 198ASN HA 2805 1.146 -1.214 -1.032 198ASN CB 2806 1.086 -1.175 -0.827 198ASN HB1 2807 1.121 -1.203 -0.725 198ASN HB2 2808 0.982 -1.212 -0.838 198ASN CG 2809 1.088 -1.022 -0.837 198ASN OD1 2810 1.184 -0.961 -0.887 198ASN ND2 2811 0.979 -0.957 -0.790 198ASN HD21 2812 0.973 -0.859 -0.805 198ASN HD22 2813 0.898 -1.009 -0.765 198ASN C 2814 1.322 -1.225 -0.916 198ASN O 2815 1.388 -1.280 -0.831 199ALA N 2816 1.377 -1.140 -1.004 199ALA HN 2817 1.317 -1.092 -1.068 199ALA CA 2818 1.519 -1.119 -1.017 199ALA HA 2819 1.572 -1.205 -0.979 199ALA CB 2820 1.549 -1.098 -1.166 199ALA HB1 2821 1.494 -1.010 -1.204 199ALA HB2 2822 1.517 -1.187 -1.223 199ALA HB3 2823 1.658 -1.082 -1.184 199ALA C 2824 1.566 -0.998 -0.939 199ALA O 2825 1.683 -0.961 -0.947 200ASN N 2826 1.476 -0.933 -0.862 200ASN HN 2827 1.380 -0.962 -0.863 200ASN CA 2828 1.510 -0.815 -0.785 200ASN HA 2829 1.617 -0.801 -0.783 200ASN CB 2830 1.440 -0.691 -0.846 200ASN HB1 2831 1.455 -0.601 -0.783 200ASN HB2 2832 1.331 -0.709 -0.857 200ASN CG 2833 1.496 -0.661 -0.984 200ASN OD1 2834 1.428 -0.664 -1.087 200ASN ND2 2835 1.627 -0.629 -0.990 200ASN HD21 2836 1.660 -0.605 -1.082 200ASN HD22 2837 1.685 -0.644 -0.911 200ASN C 2838 1.471 -0.827 -0.638 200ASN O 2839 1.494 -0.735 -0.561 201THR N 2840 1.416 -0.943 -0.594 201THR HN 2841 1.406 -1.022 -0.653 201THR CA 2842 1.365 -0.959 -0.458 201THR HA 2843 1.402 -0.878 -0.396 201THR CB 2844 1.212 -0.961 -0.444 201THR HB 2845 1.183 -0.967 -0.336 201THR OG1 2846 1.150 -1.069 -0.513 201THR HG1 2847 1.056 -1.053 -0.501 201THR CG2 2848 1.155 -0.830 -0.500 201THR HG21 2849 1.180 -0.816 -0.607 201THR HG22 2850 1.196 -0.745 -0.442 201THR HG23 2851 1.044 -0.826 -0.490 201THR C 2852 1.419 -1.085 -0.396 201THR O 2853 1.462 -1.179 -0.463 202GLY N 2854 1.417 -1.088 -0.262 202GLY HN 2855 1.383 -1.011 -0.208 202GLY CA 2856 1.443 -1.206 -0.184 202GLY HA1 2857 1.549 -1.213 -0.164 202GLY HA2 2858 1.400 -1.293 -0.232 202GLY C 2859 1.372 -1.187 -0.056 202GLY O 2860 1.300 -1.088 -0.038 203ILE N 2861 1.389 -1.281 0.036 203ILE HN 2862 1.447 -1.361 0.015 203ILE CA 2863 1.327 -1.279 0.167 203ILE HA 2864 1.277 -1.184 0.184 203ILE CB 2865 1.225 -1.392 0.184 203ILE HB 2866 1.275 -1.488 0.157 203ILE CG2 2867 1.177 -1.401 0.331 203ILE HG21 2868 1.131 -1.306 0.362 203ILE HG22 2869 1.261 -1.425 0.400 203ILE HG23 2870 1.102 -1.482 0.343 203ILE CG1 2871 1.107 -1.371 0.086 203ILE HG11 2872 1.146 -1.361 -0.017 203ILE HG12 2873 1.058 -1.274 0.112 203ILE CD 2874 1.003 -1.484 0.088 203ILE HD1 2875 0.952 -1.490 0.187 203ILE HD2 2876 1.052 -1.582 0.068 203ILE HD3 2877 0.925 -1.467 0.011 203ILE C 2878 1.439 -1.289 0.267 203ILE O 2879 1.514 -1.386 0.268 204GLY N 2880 1.455 -1.186 0.353 204GLY HN 2881 1.395 -1.106 0.347 204GLY CA 2882 1.553 -1.185 0.460 204GLY HA1 2883 1.576 -1.082 0.481 204GLY HA2 2884 1.642 -1.238 0.428 204GLY C 2885 1.508 -1.248 0.588 204GLY O 2886 1.400 -1.312 0.599 205GLY N 2887 1.589 -1.233 0.693 205GLY HN 2888 1.674 -1.180 0.683 205GLY CA 2889 1.564 -1.293 0.824 205GLY HA1 2890 1.660 -1.299 0.874 205GLY HA2 2891 1.518 -1.389 0.810 205GLY C 2892 1.475 -1.211 0.912 205GLY O 2893 1.411 -1.265 1.003 206HSD N 2894 1.469 -1.079 0.891 206HSD HN 2895 1.522 -1.038 0.817 206HSD CA 2896 1.389 -0.988 0.970 206HSD HA 2897 1.348 -1.038 1.057 206HSD CB 2898 1.470 -0.865 1.016 206HSD HB1 2899 1.407 -0.797 1.077 206HSD HB2 2900 1.505 -0.809 0.926 206HSD ND1 2901 1.710 -0.832 1.092 206HSD HD1 2902 1.730 -0.754 1.033 206HSD CG 2903 1.592 -0.901 1.097 206HSD CE1 2904 1.798 -0.896 1.174 206HSD HE1 2905 1.899 -0.861 1.194 206HSD NE2 2906 1.744 -1.003 1.229 206HSD CD2 2907 1.613 -1.005 1.183 206HSD HD2 2908 1.544 -1.081 1.217 206HSD C 2909 1.273 -0.937 0.888 206HSD O 2910 1.279 -0.933 0.765 207GLY N 2911 1.164 -0.896 0.956 207GLY HN 2912 1.162 -0.906 1.056 207GLY CA 2913 1.050 -0.829 0.896 207GLY HA1 2914 0.964 -0.893 0.905 207GLY HA2 2915 1.072 -0.801 0.794 207GLY C 2916 1.022 -0.701 0.971 207GLY O 2917 1.087 -0.670 1.069 208SER N 2918 0.922 -0.624 0.924 208SER HN 2919 0.871 -0.651 0.843 208SER CA 2920 0.890 -0.495 0.986 208SER HA 2921 0.929 -0.492 1.087 208SER CB 2922 0.952 -0.380 0.903 208SER HB1 2923 0.903 -0.375 0.803 208SER HB2 2924 1.059 -0.406 0.886 208SER OG 2925 0.948 -0.252 0.966 208SER HG1 2926 0.939 -0.189 0.892 208SER C 2927 0.740 -0.480 0.998 208SER O 2928 0.671 -0.447 0.900 209CYS N 2929 0.683 -0.503 1.117 209CYS HN 2930 0.741 -0.519 1.197 209CYS CA 2931 0.540 -0.498 1.143 209CYS HA 2932 0.485 -0.530 1.055 209CYS CB 2933 0.500 -0.585 1.266 209CYS HB1 2934 0.395 -0.563 1.296 209CYS HB2 2935 0.564 -0.555 1.352 209CYS SG 2936 0.512 -0.765 1.247 209CYS C 2937 0.496 -0.357 1.179 209CYS O 2938 0.565 -0.287 1.251 210CYS N 2939 0.376 -0.315 1.132 210CYS HN 2940 0.326 -0.366 1.061 210CYS CA 2941 0.301 -0.208 1.196 210CYS HA 2942 0.300 -0.229 1.302 210CYS CB 2943 0.357 -0.064 1.176 210CYS HB1 2944 0.461 -0.064 1.215 210CYS HB2 2945 0.300 0.007 1.240 210CYS SG 2946 0.359 -0.001 1.006 210CYS C 2947 0.157 -0.213 1.152 210CYS O 2948 0.122 -0.283 1.057 211SER N 2949 0.068 -0.141 1.223 211SER HN 2950 0.101 -0.085 1.299 211SER CA 2951 -0.072 -0.126 1.186 211SER HA 2952 -0.115 -0.225 1.177 211SER CB 2953 -0.154 -0.046 1.291 211SER HB1 2954 -0.261 -0.038 1.260 211SER HB2 2955 -0.112 0.057 1.299 211SER OG 2956 -0.148 -0.109 1.419 211SER HG1 2957 -0.054 -0.115 1.439 211SER C 2958 -0.094 -0.056 1.053 211SER O 2959 -0.018 0.034 1.016 212GLU N 2960 -0.200 -0.095 0.980 212GLU HN 2961 -0.264 -0.164 1.013 212GLU CA 2962 -0.220 -0.056 0.843 212GLU HA 2963 -0.169 0.038 0.824 212GLU CB 2964 -0.159 -0.163 0.749 212GLU HB1 2965 -0.192 -0.264 0.783 212GLU HB2 2966 -0.049 -0.159 0.762 212GLU CG 2967 -0.193 -0.152 0.599 212GLU HG1 2968 -0.180 -0.048 0.562 212GLU HG2 2969 -0.297 -0.184 0.576 212GLU CD 2970 -0.098 -0.243 0.521 212GLU OE1 2971 -0.087 -0.364 0.557 212GLU OE2 2972 -0.028 -0.190 0.431 212GLU C 2973 -0.366 -0.032 0.813 212GLU O 2974 -0.455 -0.100 0.865 213MET N 2975 -0.395 0.071 0.732 213MET HN 2976 -0.319 0.123 0.691 213MET CA 2977 -0.528 0.101 0.687 213MET HA 2978 -0.598 0.024 0.718 213MET CB 2979 -0.572 0.241 0.737 213MET HB1 2980 -0.505 0.318 0.695 213MET HB2 2981 -0.558 0.247 0.847 213MET CG 2982 -0.718 0.278 0.701 213MET HG1 2983 -0.728 0.282 0.591 213MET HG2 2984 -0.736 0.381 0.739 213MET SD 2985 -0.841 0.165 0.771 213MET CE 2986 -0.922 0.121 0.616 213MET HE1 2987 -0.854 0.060 0.553 213MET HE2 2988 -0.952 0.211 0.558 213MET HE3 2989 -1.013 0.059 0.634 213MET C 2990 -0.527 0.105 0.536 213MET O 2991 -0.484 0.204 0.477 214ASP N 2992 -0.583 0.003 0.469 214ASP HN 2993 -0.618 -0.080 0.513 214ASP CA 2994 -0.603 0.006 0.326 214ASP HA 2995 -0.522 0.062 0.280 214ASP CB 2996 -0.610 -0.134 0.263 214ASP HB1 2997 -0.666 -0.133 0.166 214ASP HB2 2998 -0.658 -0.207 0.331 214ASP CG 2999 -0.471 -0.180 0.227 214ASP OD1 3000 -0.408 -0.106 0.146 214ASP OD2 3001 -0.431 -0.289 0.269 214ASP C 3002 -0.729 0.081 0.295 214ASP O 3003 -0.842 0.031 0.305 215ILE N 3004 -0.715 0.209 0.259 215ILE HN 3005 -0.623 0.247 0.256 215ILE CA 3006 -0.823 0.289 0.205 215ILE HA 3007 -0.906 0.285 0.275 215ILE CB 3008 -0.780 0.434 0.182 215ILE HB 3009 -0.698 0.435 0.106 215ILE CG2 3010 -0.897 0.517 0.123 215ILE HG21 3011 -0.986 0.507 0.189 215ILE HG22 3012 -0.924 0.481 0.022 215ILE HG23 3013 -0.867 0.623 0.116 215ILE CG1 3014 -0.721 0.500 0.309 215ILE HG11 3015 -0.676 0.597 0.277 215ILE HG12 3016 -0.637 0.438 0.348 215ILE CD 3017 -0.823 0.526 0.420 215ILE HD1 3018 -0.874 0.431 0.448 215ILE HD2 3019 -0.900 0.599 0.388 215ILE HD3 3020 -0.771 0.565 0.510 215ILE C 3021 -0.873 0.232 0.073 215ILE O 3022 -0.991 0.224 0.046 216TRP N 3023 -0.775 0.194 -0.011 216TRP HN 3024 -0.679 0.197 0.015 216TRP CA 3025 -0.803 0.156 -0.147 216TRP HA 3026 -0.901 0.112 -0.154 216TRP CB 3027 -0.787 0.283 -0.234 216TRP HB1 3028 -0.681 0.317 -0.229 216TRP HB2 3029 -0.847 0.362 -0.185 216TRP CG 3030 -0.830 0.275 -0.377 216TRP CD1 3031 -0.750 0.287 -0.488 216TRP HD1 3032 -0.642 0.287 -0.486 216TRP NE1 3033 -0.829 0.287 -0.601 216TRP HE1 3034 -0.798 0.276 -0.693 216TRP CE2 3035 -0.960 0.272 -0.565 216TRP CD2 3036 -0.965 0.263 -0.424 216TRP CE3 3037 -1.087 0.245 -0.360 216TRP HE3 3038 -1.093 0.233 -0.253 216TRP CZ3 3039 -1.202 0.234 -0.438 216TRP HZ3 3040 -1.297 0.212 -0.390 216TRP CZ2 3041 -1.075 0.263 -0.642 216TRP HZ2 3042 -1.071 0.266 -0.750 216TRP CH2 3043 -1.196 0.243 -0.577 216TRP HH2 3044 -1.287 0.229 -0.634 216TRP C 3045 -0.700 0.055 -0.190 216TRP O 3046 -0.581 0.078 -0.181 217GLU N 3047 -0.750 -0.057 -0.244 217GLU HN 3048 -0.848 -0.075 -0.243 217GLU CA 3049 -0.672 -0.149 -0.321 217GLU HA 3050 -0.581 -0.105 -0.358 217GLU CB 3051 -0.646 -0.280 -0.244 217GLU HB1 3052 -0.604 -0.356 -0.313 217GLU HB2 3053 -0.743 -0.319 -0.206 217GLU CG 3054 -0.552 -0.261 -0.124 217GLU HG1 3055 -0.596 -0.193 -0.047 217GLU HG2 3056 -0.454 -0.217 -0.154 217GLU CD 3057 -0.529 -0.394 -0.062 217GLU OE1 3058 -0.615 -0.459 0.007 217GLU OE2 3059 -0.407 -0.450 -0.087 217GLU HE2 3060 -0.393 -0.518 -0.022 217GLU C 3061 -0.763 -0.180 -0.435 217GLU O 3062 -0.873 -0.228 -0.414 218ALA N 3063 -0.724 -0.148 -0.559 218ALA HN 3064 -0.634 -0.110 -0.579 218ALA CA 3065 -0.817 -0.167 -0.667 218ALA HA 3066 -0.866 -0.263 -0.653 218ALA CB 3067 -0.924 -0.055 -0.672 218ALA HB1 3068 -0.878 0.041 -0.700 218ALA HB2 3069 -0.972 -0.044 -0.573 218ALA HB3 3070 -1.003 -0.080 -0.745 218ALA C 3071 -0.750 -0.174 -0.801 218ALA O 3072 -0.638 -0.127 -0.825 219ASN N 3073 -0.824 -0.233 -0.894 219ASN HN 3074 -0.911 -0.275 -0.867 219ASN CA 3075 -0.798 -0.225 -1.035 219ASN HA 3076 -0.734 -0.140 -1.054 219ASN CB 3077 -0.727 -0.353 -1.089 219ASN HB1 3078 -0.626 -0.354 -1.043 219ASN HB2 3079 -0.714 -0.349 -1.198 219ASN CG 3080 -0.799 -0.484 -1.054 219ASN OD1 3081 -0.920 -0.489 -1.039 219ASN ND2 3082 -0.718 -0.594 -1.044 219ASN HD21 3083 -0.756 -0.684 -1.025 219ASN HD22 3084 -0.619 -0.581 -1.046 219ASN C 3085 -0.932 -0.190 -1.097 219ASN O 3086 -1.022 -0.138 -1.031 220SER N 3087 -0.949 -0.214 -1.228 220SER HN 3088 -0.875 -0.250 -1.284 220SER CA 3089 -1.076 -0.185 -1.293 220SER HA 3090 -1.112 -0.091 -1.254 220SER CB 3091 -1.063 -0.170 -1.447 220SER HB1 3092 -0.990 -0.088 -1.467 220SER HB2 3093 -1.160 -0.139 -1.491 220SER OG 3094 -1.016 -0.288 -1.512 220SER HG1 3095 -0.925 -0.300 -1.482 220SER C 3096 -1.185 -0.287 -1.264 220SER O 3097 -1.302 -0.261 -1.294 221ILE N 3098 -1.150 -0.404 -1.206 221ILE HN 3099 -1.056 -0.420 -1.176 221ILE CA 3100 -1.242 -0.514 -1.186 221ILE HA 3101 -1.328 -0.502 -1.250 221ILE CB 3102 -1.174 -0.647 -1.221 221ILE HB 3103 -1.085 -0.662 -1.154 221ILE CG2 3104 -1.271 -0.766 -1.195 221ILE HG21 3105 -1.367 -0.749 -1.246 221ILE HG22 3106 -1.290 -0.778 -1.086 221ILE HG23 3107 -1.226 -0.860 -1.232 221ILE CG1 3108 -1.121 -0.647 -1.367 221ILE HG11 3109 -1.077 -0.747 -1.387 221ILE HG12 3110 -1.039 -0.573 -1.376 221ILE CD 3111 -1.227 -0.618 -1.474 221ILE HD1 3112 -1.270 -0.517 -1.459 221ILE HD2 3113 -1.309 -0.693 -1.469 221ILE HD3 3114 -1.181 -0.622 -1.575 221ILE C 3115 -1.298 -0.516 -1.045 221ILE O 3116 -1.418 -0.527 -1.026 222SER N 3117 -1.211 -0.500 -0.942 222SER HN 3118 -1.113 -0.485 -0.959 222SER CA 3119 -1.252 -0.510 -0.803 222SER HA 3120 -1.357 -0.487 -0.795 222SER CB 3121 -1.227 -0.651 -0.742 222SER HB1 3122 -1.255 -0.652 -0.634 222SER HB2 3123 -1.120 -0.677 -0.750 222SER OG 3124 -1.306 -0.752 -0.806 222SER HG1 3125 -1.313 -0.825 -0.742 222SER C 3126 -1.180 -0.408 -0.718 222SER O 3127 -1.081 -0.347 -0.762 223GLU N 3128 -1.231 -0.384 -0.596 223GLU HN 3129 -1.310 -0.434 -0.560 223GLU CA 3130 -1.177 -0.289 -0.501 223GLU HA 3131 -1.070 -0.286 -0.514 223GLU CB 3132 -1.236 -0.146 -0.517 223GLU HB1 3133 -1.211 -0.116 -0.622 223GLU HB2 3134 -1.183 -0.074 -0.450 223GLU CG 3135 -1.391 -0.132 -0.501 223GLU HG1 3136 -1.439 -0.231 -0.512 223GLU HG2 3137 -1.426 -0.069 -0.585 223GLU CD 3138 -1.446 -0.064 -0.375 223GLU OE1 3139 -1.368 -0.014 -0.287 223GLU OE2 3140 -1.569 -0.050 -0.366 223GLU C 3141 -1.203 -0.341 -0.361 223GLU O 3142 -1.288 -0.428 -0.341 224ALA N 3143 -1.126 -0.293 -0.261 224ALA HN 3144 -1.055 -0.225 -0.279 224ALA CA 3145 -1.139 -0.336 -0.124 224ALA HA 3146 -1.243 -0.359 -0.105 224ALA CB 3147 -1.053 -0.462 -0.096 224ALA HB1 3148 -0.945 -0.441 -0.112 224ALA HB2 3149 -1.084 -0.544 -0.164 224ALA HB3 3150 -1.067 -0.497 0.009 224ALA C 3151 -1.101 -0.224 -0.028 224ALA O 3152 -1.028 -0.130 -0.062 225LEU N 3153 -1.156 -0.231 0.094 225LEU HN 3154 -1.217 -0.308 0.114 225LEU CA 3155 -1.133 -0.140 0.204 225LEU HA 3156 -1.045 -0.080 0.186 225LEU CB 3157 -1.260 -0.051 0.223 225LEU HB1 3158 -1.348 -0.120 0.214 225LEU HB2 3159 -1.265 0.019 0.137 225LEU CG 3160 -1.276 0.027 0.356 225LEU HG 3161 -1.271 -0.046 0.440 225LEU CD1 3162 -1.166 0.131 0.376 225LEU HD11 3163 -1.166 0.206 0.294 225LEU HD12 3164 -1.066 0.081 0.376 225LEU HD13 3165 -1.178 0.183 0.473 225LEU CD2 3166 -1.414 0.094 0.363 225LEU HD21 3167 -1.494 0.016 0.355 225LEU HD22 3168 -1.426 0.166 0.280 225LEU HD23 3169 -1.427 0.146 0.460 225LEU C 3170 -1.107 -0.223 0.328 225LEU O 3171 -1.197 -0.294 0.374 226THR N 3172 -0.985 -0.218 0.384 226THR HN 3173 -0.914 -0.159 0.347 226THR CA 3174 -0.942 -0.317 0.483 226THR HA 3175 -1.028 -0.371 0.521 226THR CB 3176 -0.849 -0.423 0.424 226THR HB 3177 -0.745 -0.385 0.409 226THR OG1 3178 -0.896 -0.469 0.298 226THR HG1 3179 -0.824 -0.523 0.263 226THR CG2 3180 -0.845 -0.544 0.518 226THR HG21 3181 -0.946 -0.585 0.536 226THR HG22 3182 -0.798 -0.517 0.614 226THR HG23 3183 -0.783 -0.625 0.473 226THR C 3184 -0.870 -0.251 0.600 226THR O 3185 -0.763 -0.188 0.579 227PRO N 3186 -0.914 -0.257 0.724 227PRO CD 3187 -1.057 -0.266 0.758 227PRO HD1 3188 -1.097 -0.365 0.729 227PRO HD2 3189 -1.112 -0.185 0.706 227PRO CA 3190 -0.832 -0.221 0.839 227PRO HA 3191 -0.758 -0.146 0.813 227PRO CB 3192 -0.934 -0.171 0.943 227PRO HB1 3193 -0.951 -0.063 0.926 227PRO HB2 3194 -0.900 -0.186 1.047 227PRO CG 3195 -1.063 -0.248 0.910 227PRO HG1 3196 -1.060 -0.348 0.959 227PRO HG2 3197 -1.153 -0.193 0.943 227PRO C 3198 -0.757 -0.343 0.891 227PRO O 3199 -0.813 -0.453 0.895 228HSD N 3200 -0.631 -0.325 0.936 228HSD HN 3201 -0.586 -0.236 0.927 228HSD CA 3202 -0.549 -0.431 0.990 228HSD HA 3203 -0.605 -0.524 0.995 228HSD CB 3204 -0.426 -0.458 0.900 228HSD HB1 3205 -0.357 -0.531 0.948 228HSD HB2 3206 -0.371 -0.364 0.881 228HSD ND1 3207 -0.461 -0.649 0.739 228HSD HD1 3208 -0.425 -0.721 0.798 228HSD CG 3209 -0.468 -0.515 0.769 228HSD CE1 3210 -0.493 -0.661 0.608 228HSD HE1 3211 -0.493 -0.756 0.554 228HSD NE2 3212 -0.520 -0.545 0.554 228HSD CD2 3213 -0.501 -0.452 0.654 228HSD HD2 3214 -0.512 -0.346 0.631 228HSD C 3215 -0.495 -0.394 1.128 228HSD O 3216 -0.414 -0.301 1.139 229PRO N 3217 -0.533 -0.460 1.236 229PRO CD 3218 -0.654 -0.543 1.245 229PRO HD1 3219 -0.647 -0.631 1.177 229PRO HD2 3220 -0.742 -0.481 1.218 229PRO CA 3221 -0.476 -0.433 1.367 229PRO HA 3222 -0.449 -0.329 1.376 229PRO CB 3223 -0.587 -0.476 1.465 229PRO HB1 3224 -0.656 -0.390 1.481 229PRO HB2 3225 -0.549 -0.509 1.564 229PRO CG 3226 -0.662 -0.587 1.391 229PRO HG1 3227 -0.607 -0.683 1.401 229PRO HG2 3228 -0.766 -0.601 1.426 229PRO C 3229 -0.351 -0.515 1.388 229PRO O 3230 -0.333 -0.623 1.331 230CYS N 3231 -0.261 -0.465 1.472 230CYS HN 3232 -0.275 -0.376 1.514 230CYS CA 3233 -0.145 -0.539 1.515 230CYS HA 3234 -0.159 -0.645 1.497 230CYS CB 3235 -0.014 -0.488 1.450 230CYS HB1 3236 0.072 -0.548 1.486 230CYS HB2 3237 0.003 -0.382 1.480 230CYS SG 3238 -0.019 -0.491 1.269 230CYS C 3239 -0.138 -0.518 1.664 230CYS O 3240 -0.186 -0.417 1.717 231THR N 3241 -0.079 -0.613 1.738 231THR HN 3242 -0.042 -0.696 1.695 231THR CA 3243 -0.064 -0.602 1.883 231THR HA 3244 -0.163 -0.586 1.923 231THR CB 3245 -0.010 -0.729 1.947 231THR HB 3246 -0.002 -0.718 2.058 231THR OG1 3247 0.116 -0.766 1.894 231THR HG1 3248 0.181 -0.701 1.922 231THR CG2 3249 -0.108 -0.845 1.917 231THR HG21 3250 -0.112 -0.866 1.808 231THR HG22 3251 -0.210 -0.820 1.952 231THR HG23 3252 -0.074 -0.937 1.969 231THR C 3253 0.019 -0.482 1.925 231THR O 3254 -0.013 -0.408 2.019 232THR N 3255 0.127 -0.456 1.848 232THR HN 3256 0.145 -0.514 1.769 232THR CA 3257 0.213 -0.340 1.861 232THR HA 3258 0.196 -0.292 1.956 232THR CB 3259 0.362 -0.373 1.851 232THR HB 3260 0.384 -0.425 1.755 232THR OG1 3261 0.400 -0.457 1.959 232THR HG1 3262 0.486 -0.498 1.930 232THR CG2 3263 0.447 -0.245 1.863 232THR HG21 3264 0.424 -0.191 1.957 232THR HG22 3265 0.431 -0.178 1.776 232THR HG23 3266 0.554 -0.273 1.865 232THR C 3267 0.173 -0.246 1.750 232THR O 3268 0.177 -0.280 1.632 233VAL N 3269 0.123 -0.126 1.786 233VAL HN 3270 0.121 -0.101 1.882 233VAL CA 3271 0.065 -0.031 1.692 233VAL HA 3272 -0.013 -0.082 1.638 233VAL CB 3273 0.001 0.086 1.768 233VAL HB 3274 0.076 0.131 1.837 233VAL CG1 3275 -0.050 0.197 1.673 233VAL HG11 3276 -0.116 0.152 1.595 233VAL HG12 3277 0.033 0.249 1.621 233VAL HG13 3278 -0.109 0.273 1.729 233VAL CG2 3279 -0.118 0.031 1.850 233VAL HG21 3280 -0.087 -0.048 1.920 233VAL HG22 3281 -0.194 -0.013 1.781 233VAL HG23 3282 -0.167 0.113 1.907 233VAL C 3283 0.162 0.021 1.587 233VAL O 3284 0.129 0.026 1.468 234GLY N 3285 0.284 0.059 1.628 234GLY HN 3286 0.313 0.038 1.722 234GLY CA 3287 0.383 0.121 1.542 234GLY HA1 3288 0.437 0.190 1.602 234GLY HA2 3289 0.335 0.168 1.457 234GLY C 3290 0.484 0.025 1.490 234GLY O 3291 0.473 -0.095 1.507 235GLN N 3292 0.590 0.080 1.427 235GLN HN 3293 0.593 0.178 1.410 235GLN CA 3294 0.698 0.004 1.369 235GLN HA 3295 0.655 -0.063 1.297 235GLN CB 3296 0.792 0.101 1.292 235GLN HB1 3297 0.843 0.171 1.362 235GLN HB2 3298 0.725 0.163 1.227 235GLN CG 3299 0.896 0.035 1.197 235GLN HG1 3300 0.931 0.112 1.125 235GLN HG2 3301 0.844 -0.044 1.139 235GLN CD 3302 1.020 -0.023 1.267 235GLN OE1 3303 1.085 0.038 1.352 235GLN NE2 3304 1.058 -0.145 1.224 235GLN HE21 3305 1.144 -0.183 1.263 235GLN HE22 3306 1.008 -0.192 1.153 235GLN C 3307 0.774 -0.081 1.471 235GLN O 3308 0.817 -0.036 1.576 236GLU N 3309 0.788 -0.212 1.438 236GLU HN 3310 0.746 -0.246 1.354 236GLU CA 3311 0.844 -0.312 1.525 236GLU HA 3312 0.916 -0.266 1.590 236GLU CB 3313 0.731 -0.381 1.608 236GLU HB1 3314 0.655 -0.421 1.536 236GLU HB2 3315 0.680 -0.301 1.667 236GLU CG 3316 0.775 -0.495 1.702 236GLU HG1 3317 0.849 -0.458 1.776 236GLU HG2 3318 0.820 -0.578 1.645 236GLU CD 3319 0.659 -0.555 1.782 236GLU OE1 3320 0.566 -0.614 1.720 236GLU OE2 3321 0.661 -0.544 1.907 236GLU C 3322 0.917 -0.412 1.438 236GLU O 3323 0.873 -0.446 1.327 237ILE N 3324 1.034 -0.461 1.482 237ILE HN 3325 1.068 -0.439 1.573 237ILE CA 3326 1.107 -0.565 1.412 237ILE HA 3327 1.083 -0.560 1.306 237ILE CB 3328 1.258 -0.550 1.426 237ILE HB 3329 1.280 -0.444 1.400 237ILE CG2 3330 1.303 -0.578 1.571 237ILE HG21 3331 1.293 -0.687 1.594 237ILE HG22 3332 1.242 -0.522 1.645 237ILE HG23 3333 1.410 -0.551 1.585 237ILE CG1 3334 1.337 -0.636 1.323 237ILE HG11 3335 1.289 -0.623 1.223 237ILE HG12 3336 1.329 -0.744 1.350 237ILE CD 3337 1.485 -0.597 1.312 237ILE HD1 3338 1.538 -0.619 1.407 237ILE HD2 3339 1.496 -0.489 1.288 237ILE HD3 3340 1.533 -0.656 1.232 237ILE C 3341 1.061 -0.701 1.461 237ILE O 3342 1.021 -0.718 1.577 238CYS N 3343 1.064 -0.801 1.373 238CYS HN 3344 1.101 -0.788 1.282 238CYS CA 3345 1.015 -0.934 1.403 238CYS HA 3346 1.022 -0.953 1.508 238CYS CB 3347 0.868 -0.954 1.359 238CYS HB1 3348 0.803 -0.908 1.437 238CYS HB2 3349 0.842 -1.062 1.355 238CYS SG 3350 0.832 -0.873 1.200 238CYS HG1 3351 0.845 -0.749 1.247 238CYS C 3352 1.107 -1.033 1.336 238CYS O 3353 1.184 -0.999 1.248 239GLU N 3354 1.101 -1.161 1.383 239GLU HN 3355 1.032 -1.189 1.449 239GLU CA 3356 1.204 -1.258 1.354 239GLU HA 3357 1.285 -1.212 1.299 239GLU CB 3358 1.260 -1.318 1.486 239GLU HB1 3359 1.340 -1.389 1.458 239GLU HB2 3360 1.179 -1.374 1.539 239GLU CG 3361 1.320 -1.216 1.585 239GLU HG1 3362 1.364 -1.270 1.672 239GLU HG2 3363 1.242 -1.146 1.623 239GLU CD 3364 1.433 -1.134 1.523 239GLU OE1 3365 1.531 -1.199 1.481 239GLU OE2 3366 1.424 -1.008 1.527 239GLU C 3367 1.152 -1.373 1.271 239GLU O 3368 1.051 -1.438 1.306 240GLY N 3369 1.222 -1.409 1.162 240GLY HN 3370 1.297 -1.349 1.131 240GLY CA 3371 1.198 -1.528 1.079 240GLY HA1 3372 1.228 -1.613 1.138 240GLY HA2 3373 1.258 -1.515 0.990 240GLY C 3374 1.056 -1.550 1.035 240GLY O 3375 0.987 -1.459 0.992 241ASP N 3376 1.004 -1.673 1.048 241ASP HN 3377 1.061 -1.751 1.072 241ASP CA 3378 0.868 -1.706 1.009 241ASP HA 3379 0.837 -1.640 0.929 241ASP CB 3380 0.860 -1.852 0.960 241ASP HB1 3381 0.757 -1.877 0.929 241ASP HB2 3382 0.890 -1.923 1.041 241ASP CG 3383 0.955 -1.874 0.842 241ASP OD1 3384 0.908 -1.861 0.722 241ASP OD2 3385 1.074 -1.891 0.863 241ASP C 3386 0.772 -1.679 1.126 241ASP O 3387 0.653 -1.714 1.124 242GLY N 3388 0.821 -1.610 1.231 242GLY HN 3389 0.918 -1.583 1.230 242GLY CA 3390 0.743 -1.551 1.338 242GLY HA1 3391 0.808 -1.536 1.422 242GLY HA2 3392 0.658 -1.615 1.360 242GLY C 3393 0.691 -1.416 1.300 242GLY O 3394 0.605 -1.361 1.370 243CYS N 3395 0.743 -1.357 1.190 243CYS HN 3396 0.818 -1.402 1.142 243CYS CA 3397 0.693 -1.236 1.127 243CYS HA 3398 0.693 -1.157 1.201 243CYS CB 3399 0.779 -1.194 1.005 243CYS HB1 3400 0.736 -1.102 0.959 243CYS HB2 3401 0.774 -1.274 0.928 243CYS SG 3402 0.953 -1.162 1.048 243CYS HG1 3403 0.986 -1.288 1.071 243CYS C 3404 0.550 -1.250 1.079 243CYS O 3405 0.468 -1.161 1.097 244GLY N 3406 0.518 -1.366 1.019 244GLY HN 3407 0.588 -1.437 1.009 244GLY CA 3408 0.391 -1.391 0.952 244GLY HA1 3409 0.311 -1.356 1.015 244GLY HA2 3410 0.387 -1.497 0.932 244GLY C 3411 0.379 -1.324 0.819 244GLY O 3412 0.478 -1.294 0.752 245GLY N 3413 0.253 -1.307 0.775 245GLY HN 3414 0.178 -1.341 0.832 245GLY CA 3415 0.215 -1.250 0.647 245GLY HA1 3416 0.258 -1.151 0.642 245GLY HA2 3417 0.107 -1.249 0.642 245GLY C 3418 0.264 -1.326 0.527 245GLY O 3419 0.295 -1.446 0.531 246THR N 3420 0.267 -1.257 0.414 246THR HN 3421 0.235 -1.161 0.418 246THR CA 3422 0.297 -1.309 0.280 246THR HA 3423 0.224 -1.385 0.258 246THR CB 3424 0.283 -1.199 0.177 246THR HB 3425 0.348 -1.112 0.203 246THR OG1 3426 0.147 -1.158 0.175 246THR HG1 3427 0.131 -1.100 0.251 246THR CG2 3428 0.318 -1.246 0.035 246THR HG21 3429 0.257 -1.334 0.007 246THR HG22 3430 0.426 -1.271 0.024 246THR HG23 3431 0.297 -1.164 -0.038 246THR C 3432 0.431 -1.376 0.268 246THR O 3433 0.447 -1.479 0.201 247TYR N 3434 0.533 -1.321 0.336 247TYR HN 3435 0.515 -1.242 0.394 247TYR CA 3436 0.671 -1.360 0.322 247TYR HA 3437 0.687 -1.403 0.223 247TYR CB 3438 0.763 -1.237 0.339 247TYR HB1 3439 0.870 -1.265 0.324 247TYR HB2 3440 0.752 -1.193 0.441 247TYR CG 3441 0.729 -1.131 0.237 247TYR CD1 3442 0.780 -1.142 0.107 247TYR HD1 3443 0.841 -1.227 0.080 247TYR CE1 3444 0.753 -1.044 0.010 247TYR HE1 3445 0.794 -1.053 -0.089 247TYR CZ 3446 0.673 -0.935 0.043 247TYR OH 3447 0.654 -0.837 -0.056 247TYR HH 3448 0.743 -0.802 -0.078 247TYR CD2 3449 0.648 -1.020 0.269 247TYR HD2 3450 0.608 -1.010 0.369 247TYR CE2 3451 0.619 -0.923 0.172 247TYR HE2 3452 0.557 -0.837 0.196 247TYR C 3453 0.714 -1.467 0.422 247TYR O 3454 0.831 -1.492 0.440 248SER N 3455 0.617 -1.533 0.490 248SER HN 3456 0.520 -1.511 0.477 248SER CA 3457 0.647 -1.641 0.584 248SER HA 3458 0.750 -1.672 0.572 248SER CB 3459 0.624 -1.600 0.732 248SER HB1 3460 0.653 -1.683 0.800 248SER HB2 3461 0.516 -1.577 0.748 248SER OG 3462 0.702 -1.484 0.763 248SER HG1 3463 0.648 -1.408 0.732 248SER C 3464 0.564 -1.763 0.556 248SER O 3465 0.455 -1.755 0.495 249ASP N 3466 0.610 -1.883 0.595 249ASP HN 3467 0.699 -1.891 0.643 249ASP CA 3468 0.539 -2.009 0.572 249ASP HA 3469 0.515 -2.009 0.467 249ASP CB 3470 0.630 -2.134 0.597 249ASP HB1 3471 0.729 -2.115 0.550 249ASP HB2 3472 0.584 -2.220 0.545 249ASP CG 3473 0.654 -2.178 0.742 249ASP OD1 3474 0.650 -2.094 0.833 249ASP OD2 3475 0.689 -2.299 0.757 249ASP C 3476 0.406 -2.017 0.646 249ASP O 3477 0.304 -2.067 0.593 250ASN N 3478 0.402 -1.966 0.768 250ASN HN 3479 0.490 -1.937 0.807 250ASN CA 3480 0.285 -1.954 0.851 250ASN HA 3481 0.206 -2.014 0.810 250ASN CB 3482 0.317 -2.002 0.995 250ASN HB1 3483 0.403 -1.944 1.034 250ASN HB2 3484 0.347 -2.109 0.991 250ASN CG 3485 0.197 -1.987 1.087 250ASN OD1 3486 0.084 -1.968 1.044 250ASN ND2 3487 0.222 -1.992 1.220 250ASN HD21 3488 0.143 -1.975 1.280 250ASN HD22 3489 0.316 -1.996 1.251 250ASN C 3490 0.241 -1.809 0.848 250ASN O 3491 0.299 -1.722 0.909 251ARG N 3492 0.131 -1.783 0.773 251ARG HN 3493 0.084 -1.858 0.729 251ARG CA 3494 0.078 -1.650 0.749 251ARG HA 3495 0.159 -1.590 0.710 251ARG CB 3496 -0.032 -1.659 0.641 251ARG HB1 3497 -0.112 -1.729 0.675 251ARG HB2 3498 0.017 -1.703 0.550 251ARG CG 3499 -0.096 -1.525 0.601 251ARG HG1 3500 -0.015 -1.451 0.583 251ARG HG2 3501 -0.157 -1.487 0.687 251ARG CD 3502 -0.187 -1.532 0.477 251ARG HD1 3503 -0.275 -1.597 0.498 251ARG HD2 3504 -0.131 -1.576 0.391 251ARG NE 3505 -0.234 -1.395 0.445 251ARG HE 3506 -0.325 -1.361 0.482 251ARG CZ 3507 -0.176 -1.308 0.363 251ARG NH1 3508 -0.065 -1.340 0.295 251ARG HH11 3509 -0.025 -1.427 0.308 251ARG HH12 3510 -0.025 -1.268 0.237 251ARG NH2 3511 -0.227 -1.191 0.347 251ARG HH21 3512 -0.308 -1.165 0.402 251ARG HH22 3513 -0.184 -1.122 0.288 251ARG C 3514 0.030 -1.579 0.875 251ARG O 3515 0.052 -1.461 0.895 252TYR N 3516 -0.033 -1.654 0.967 252TYR HN 3517 -0.043 -1.752 0.955 252TYR CA 3518 -0.103 -1.597 1.082 252TYR HA 3519 -0.120 -1.491 1.066 252TYR CB 3520 -0.240 -1.667 1.101 252TYR HB1 3521 -0.301 -1.615 1.178 252TYR HB2 3522 -0.227 -1.773 1.132 252TYR CG 3523 -0.316 -1.664 0.971 252TYR CD1 3524 -0.380 -1.546 0.931 252TYR HD1 3525 -0.377 -1.458 0.993 252TYR CE1 3526 -0.451 -1.542 0.810 252TYR HE1 3527 -0.502 -1.450 0.782 252TYR CZ 3528 -0.459 -1.655 0.729 252TYR OH 3529 -0.534 -1.650 0.609 252TYR HH 3530 -0.569 -1.558 0.599 252TYR CD2 3531 -0.323 -1.777 0.888 252TYR HD2 3532 -0.273 -1.868 0.918 252TYR CE2 3533 -0.393 -1.773 0.767 252TYR HE2 3534 -0.399 -1.860 0.703 252TYR C 3535 -0.019 -1.611 1.207 252TYR O 3536 -0.068 -1.602 1.321 253GLY N 3537 0.112 -1.635 1.190 253GLY HN 3538 0.146 -1.643 1.096 253GLY CA 3539 0.207 -1.653 1.299 253GLY HA1 3540 0.299 -1.691 1.255 253GLY HA2 3541 0.165 -1.720 1.372 253GLY C 3542 0.244 -1.525 1.370 253GLY O 3543 0.283 -1.528 1.487 254GLY N 3544 0.235 -1.411 1.299 254GLY HN 3545 0.195 -1.413 1.207 254GLY CA 3546 0.284 -1.282 1.344 254GLY HA1 3547 0.292 -1.220 1.256 254GLY HA2 3548 0.379 -1.298 1.392 254GLY C 3549 0.201 -1.207 1.443 254GLY O 3550 0.094 -1.248 1.489 255THR N 3551 0.253 -1.088 1.480 255THR HN 3552 0.341 -1.057 1.444 255THR CA 3553 0.192 -0.992 1.571 255THR HA 3554 0.141 -1.046 1.649 255THR CB 3555 0.293 -0.897 1.635 255THR HB 3556 0.250 -0.797 1.660 255THR OG1 3557 0.408 -0.879 1.553 255THR HG1 3558 0.453 -0.799 1.586 255THR CG2 3559 0.343 -0.960 1.766 255THR HG21 3560 0.385 -1.061 1.747 255THR HG22 3561 0.259 -0.970 1.838 255THR HG23 3562 0.421 -0.896 1.812 255THR C 3563 0.086 -0.909 1.501 255THR O 3564 -0.003 -0.853 1.566 256CYS N 3565 0.093 -0.901 1.368 256CYS HN 3566 0.167 -0.947 1.319 256CYS CA 3567 -0.007 -0.836 1.285 256CYS HA 3568 -0.063 -0.766 1.344 256CYS CB 3569 0.057 -0.761 1.166 256CYS HB1 3570 -0.019 -0.735 1.089 256CYS HB2 3571 0.131 -0.828 1.116 256CYS SG 3572 0.138 -0.607 1.215 256CYS C 3573 -0.107 -0.935 1.231 256CYS O 3574 -0.082 -1.055 1.223 257ASP N 3575 -0.225 -0.884 1.195 257ASP HN 3576 -0.247 -0.787 1.207 257ASP CA 3577 -0.326 -0.955 1.120 257ASP HA 3578 -0.320 -1.061 1.140 257ASP CB 3579 -0.463 -0.904 1.168 257ASP HB1 3580 -0.461 -0.792 1.168 257ASP HB2 3581 -0.485 -0.938 1.271 257ASP CG 3582 -0.579 -0.944 1.079 257ASP OD1 3583 -0.570 -1.052 1.011 257ASP OD2 3584 -0.680 -0.874 1.084 257ASP C 3585 -0.302 -0.924 0.972 257ASP O 3586 -0.303 -0.807 0.938 258PRO N 3587 -0.281 -1.020 0.882 258PRO CD 3588 -0.249 -1.158 0.917 258PRO HD1 3589 -0.340 -1.210 0.955 258PRO HD2 3590 -0.168 -1.160 0.994 258PRO CA 3591 -0.239 -0.986 0.747 258PRO HA 3592 -0.195 -0.887 0.741 258PRO CB 3593 -0.140 -1.099 0.714 258PRO HB1 3594 -0.041 -1.072 0.754 258PRO HB2 3595 -0.130 -1.117 0.604 258PRO CG 3596 -0.197 -1.220 0.788 258PRO HG1 3597 -0.283 -1.263 0.730 258PRO HG2 3598 -0.122 -1.299 0.805 258PRO C 3599 -0.356 -0.991 0.652 258PRO O 3600 -0.336 -0.962 0.534 259ASP N 3601 -0.477 -1.031 0.697 259ASP HN 3602 -0.491 -1.055 0.793 259ASP CA 3603 -0.591 -1.044 0.609 259ASP HA 3604 -0.561 -1.037 0.505 259ASP CB 3605 -0.664 -1.180 0.631 259ASP HB1 3606 -0.763 -1.177 0.580 259ASP HB2 3607 -0.682 -1.195 0.739 259ASP CG 3608 -0.587 -1.300 0.576 259ASP OD1 3609 -0.470 -1.288 0.530 259ASP OD2 3610 -0.643 -1.414 0.581 259ASP C 3611 -0.685 -0.926 0.631 259ASP O 3612 -0.737 -0.869 0.535 260GLY N 3613 -0.702 -0.881 0.758 260GLY HN 3614 -0.658 -0.927 0.835 260GLY CA 3615 -0.794 -0.775 0.795 260GLY HA1 3616 -0.771 -0.688 0.737 260GLY HA2 3617 -0.782 -0.757 0.900 260GLY C 3618 -0.940 -0.807 0.775 260GLY O 3619 -0.980 -0.919 0.743 261CYS N 3620 -1.026 -0.707 0.798 261CYS HN 3621 -0.990 -0.618 0.823 261CYS CA 3622 -1.171 -0.719 0.783 261CYS HA 3623 -1.201 -0.823 0.775 261CYS CB 3624 -1.240 -0.654 0.907 261CYS HB1 3625 -1.199 -0.552 0.920 261CYS HB2 3626 -1.209 -0.714 0.995 261CYS SG 3627 -1.421 -0.645 0.903 261CYS C 3628 -1.208 -0.651 0.653 261CYS O 3629 -1.255 -0.538 0.652 262ASP N 3630 -1.177 -0.717 0.539 262ASP HN 3631 -1.147 -0.812 0.538 262ASP CA 3632 -1.191 -0.658 0.408 262ASP HA 3633 -1.153 -0.557 0.417 262ASP CB 3634 -1.102 -0.725 0.298 262ASP HB1 3635 -0.998 -0.725 0.337 262ASP HB2 3636 -1.103 -0.662 0.206 262ASP CG 3637 -1.134 -0.869 0.260 262ASP OD1 3638 -1.126 -0.957 0.347 262ASP OD2 3639 -1.159 -0.897 0.139 262ASP C 3640 -1.335 -0.640 0.364 262ASP O 3641 -1.421 -0.730 0.367 263TRP N 3642 -1.371 -0.520 0.319 263TRP HN 3643 -1.305 -0.444 0.324 263TRP CA 3644 -1.499 -0.496 0.258 263TRP HA 3645 -1.566 -0.580 0.274 263TRP CB 3646 -1.566 -0.368 0.314 263TRP HB1 3647 -1.505 -0.279 0.287 263TRP HB2 3648 -1.561 -0.379 0.425 263TRP CG 3649 -1.709 -0.347 0.275 263TRP CD1 3650 -1.761 -0.331 0.149 263TRP HD1 3651 -1.700 -0.327 0.059 263TRP NE1 3652 -1.898 -0.321 0.155 263TRP HE1 3653 -1.960 -0.314 0.080 263TRP CE2 3654 -1.938 -0.330 0.285 263TRP CD2 3655 -1.822 -0.344 0.365 263TRP CE3 3656 -1.834 -0.352 0.503 263TRP HE3 3657 -1.747 -0.365 0.566 263TRP CZ3 3658 -1.962 -0.348 0.559 263TRP HZ3 3659 -1.973 -0.358 0.667 263TRP CZ2 3660 -2.065 -0.328 0.341 263TRP HZ2 3661 -2.153 -0.322 0.279 263TRP CH2 3662 -2.076 -0.338 0.479 263TRP HH2 3663 -2.173 -0.341 0.526 263TRP C 3664 -1.475 -0.484 0.109 263TRP O 3665 -1.422 -0.384 0.061 264ASN N 3666 -1.517 -0.586 0.033 264ASN HN 3667 -1.555 -0.667 0.076 264ASN CA 3668 -1.509 -0.586 -0.112 264ASN HA 3669 -1.471 -0.492 -0.148 264ASN CB 3670 -1.408 -0.696 -0.159 264ASN HB1 3671 -1.432 -0.791 -0.108 264ASN HB2 3672 -1.307 -0.664 -0.125 264ASN CG 3673 -1.406 -0.723 -0.310 264ASN OD1 3674 -1.499 -0.701 -0.385 264ASN ND2 3675 -1.290 -0.779 -0.356 264ASN HD21 3676 -1.282 -0.796 -0.454 264ASN HD22 3677 -1.214 -0.794 -0.294 264ASN C 3678 -1.653 -0.608 -0.159 264ASN O 3679 -1.711 -0.711 -0.127 265PRO N 3680 -1.718 -0.517 -0.234 265PRO CD 3681 -1.673 -0.378 -0.247 265PRO HD1 3682 -1.603 -0.371 -0.333 265PRO HD2 3683 -1.621 -0.340 -0.156 265PRO CA 3684 -1.861 -0.530 -0.261 265PRO HA 3685 -1.912 -0.543 -0.167 265PRO CB 3686 -1.896 -0.399 -0.333 265PRO HB1 3687 -2.003 -0.372 -0.320 265PRO HB2 3688 -1.873 -0.407 -0.442 265PRO CG 3689 -1.801 -0.296 -0.272 265PRO HG1 3690 -1.781 -0.210 -0.339 265PRO HG2 3691 -1.840 -0.259 -0.175 265PRO C 3692 -1.895 -0.650 -0.349 265PRO O 3693 -2.003 -0.706 -0.332 266TYR N 3694 -1.806 -0.689 -0.442 266TYR HN 3695 -1.719 -0.638 -0.452 266TYR CA 3696 -1.822 -0.808 -0.525 266TYR HA 3697 -1.917 -0.799 -0.576 266TYR CB 3698 -1.707 -0.818 -0.629 266TYR HB1 3699 -1.612 -0.854 -0.582 266TYR HB2 3700 -1.686 -0.717 -0.668 266TYR CG 3701 -1.742 -0.909 -0.745 266TYR CD1 3702 -1.738 -1.050 -0.734 266TYR HD1 3703 -1.712 -1.095 -0.640 266TYR CE1 3704 -1.766 -1.131 -0.845 266TYR HE1 3705 -1.765 -1.238 -0.835 266TYR CZ 3706 -1.795 -1.073 -0.969 266TYR OH 3707 -1.820 -1.155 -1.081 266TYR HH 3708 -1.823 -1.245 -1.048 266TYR CD2 3709 -1.773 -0.853 -0.870 266TYR HD2 3710 -1.776 -0.746 -0.880 266TYR CE2 3711 -1.799 -0.934 -0.982 266TYR HE2 3712 -1.822 -0.889 -1.077 266TYR C 3713 -1.826 -0.933 -0.439 266TYR O 3714 -1.910 -1.021 -0.456 267ARG N 3715 -1.735 -0.940 -0.339 267ARG HN 3716 -1.675 -0.861 -0.324 267ARG CA 3717 -1.716 -1.053 -0.250 267ARG HA 3718 -1.708 -1.142 -0.309 267ARG CB 3719 -1.586 -1.030 -0.168 267ARG HB1 3720 -1.601 -0.945 -0.097 267ARG HB2 3721 -1.506 -1.000 -0.239 267ARG CG 3722 -1.536 -1.153 -0.089 267ARG HG1 3723 -1.519 -1.235 -0.161 267ARG HG2 3724 -1.615 -1.185 -0.018 267ARG CD 3725 -1.407 -1.126 -0.007 267ARG HD1 3726 -1.427 -1.050 0.072 267ARG HD2 3727 -1.325 -1.089 -0.073 267ARG NE 3728 -1.367 -1.258 0.051 267ARG HE 3729 -1.383 -1.342 0.002 267ARG CZ 3730 -1.310 -1.269 0.173 267ARG NH1 3731 -1.277 -1.171 0.248 267ARG HH11 3732 -1.240 -1.178 0.343 267ARG HH12 3733 -1.274 -1.073 0.222 267ARG NH2 3734 -1.290 -1.393 0.216 267ARG HH21 3735 -1.321 -1.469 0.164 267ARG HH22 3736 -1.247 -1.400 0.307 267ARG C 3737 -1.836 -1.071 -0.156 267ARG O 3738 -1.869 -1.181 -0.113 268LEU N 3739 -1.909 -0.961 -0.132 268LEU HN 3740 -1.878 -0.873 -0.167 268LEU CA 3741 -2.027 -0.958 -0.048 268LEU HA 3742 -2.025 -1.041 0.021 268LEU CB 3743 -2.028 -0.826 0.033 268LEU HB1 3744 -2.122 -0.816 0.090 268LEU HB2 3745 -2.022 -0.740 -0.038 268LEU CG 3746 -1.910 -0.816 0.132 268LEU HG 3747 -1.815 -0.837 0.079 268LEU CD1 3748 -1.897 -0.674 0.189 268LEU HD11 3749 -1.983 -0.647 0.253 268LEU HD12 3750 -1.889 -0.600 0.106 268LEU HD13 3751 -1.805 -0.665 0.250 268LEU CD2 3752 -1.924 -0.919 0.246 268LEU HD21 3753 -1.924 -1.022 0.207 268LEU HD22 3754 -2.017 -0.902 0.303 268LEU HD23 3755 -1.838 -0.910 0.316 268LEU C 3756 -2.155 -0.974 -0.129 268LEU O 3757 -2.266 -0.977 -0.078 269GLY N 3758 -2.141 -0.995 -0.262 269GLY HN 3759 -2.049 -0.986 -0.303 269GLY CA 3760 -2.247 -1.045 -0.348 269GLY HA1 3761 -2.328 -1.084 -0.288 269GLY HA2 3762 -2.203 -1.122 -0.411 269GLY C 3763 -2.308 -0.944 -0.440 269GLY O 3764 -2.398 -0.975 -0.516 270ASN N 3765 -2.261 -0.817 -0.437 270ASN HN 3766 -2.186 -0.792 -0.376 270ASN CA 3767 -2.308 -0.717 -0.530 270ASN HA 3768 -2.403 -0.749 -0.572 270ASN CB 3769 -2.332 -0.580 -0.461 270ASN HB1 3770 -2.234 -0.535 -0.432 270ASN HB2 3771 -2.391 -0.598 -0.368 270ASN CG 3772 -2.409 -0.484 -0.551 270ASN OD1 3773 -2.439 -0.510 -0.667 270ASN ND2 3774 -2.449 -0.368 -0.492 270ASN HD21 3775 -2.493 -0.300 -0.553 270ASN HD22 3776 -2.421 -0.349 -0.400 270ASN C 3777 -2.210 -0.706 -0.646 270ASN O 3778 -2.110 -0.635 -0.642 271THR N 3779 -2.240 -0.775 -0.757 271THR HN 3780 -2.321 -0.832 -0.762 271THR CA 3781 -2.145 -0.793 -0.867 271THR HA 3782 -2.044 -0.781 -0.831 271THR CB 3783 -2.160 -0.931 -0.929 271THR HB 3784 -2.089 -0.945 -1.014 271THR OG1 3785 -2.294 -0.955 -0.971 271THR HG1 3786 -2.312 -0.892 -1.041 271THR CG2 3787 -2.127 -1.036 -0.822 271THR HG21 3788 -2.202 -1.037 -0.741 271THR HG22 3789 -2.027 -1.017 -0.777 271THR HG23 3790 -2.126 -1.136 -0.870 271THR C 3791 -2.169 -0.691 -0.975 271THR O 3792 -2.109 -0.696 -1.084 272SER N 3793 -2.262 -0.597 -0.952 272SER HN 3794 -2.312 -0.600 -0.866 272SER CA 3795 -2.297 -0.494 -1.048 272SER HA 3796 -2.242 -0.506 -1.140 272SER CB 3797 -2.449 -0.496 -1.082 272SER HB1 3798 -2.475 -0.414 -1.151 272SER HB2 3799 -2.508 -0.482 -0.988 272SER OG 3800 -2.485 -0.621 -1.142 272SER HG1 3801 -2.434 -0.627 -1.224 272SER C 3802 -2.262 -0.357 -0.995 272SER O 3803 -2.286 -0.256 -1.061 273PHE N 3804 -2.204 -0.347 -0.873 273PHE HN 3805 -2.183 -0.429 -0.820 273PHE CA 3806 -2.165 -0.219 -0.817 273PHE HA 3807 -2.250 -0.153 -0.830 273PHE CB 3808 -2.136 -0.231 -0.665 273PHE HB1 3809 -2.051 -0.301 -0.646 273PHE HB2 3810 -2.225 -0.271 -0.613 273PHE CG 3811 -2.104 -0.097 -0.604 273PHE CD1 3812 -2.200 0.006 -0.609 273PHE HD1 3813 -2.296 -0.013 -0.655 273PHE CE1 3814 -2.172 0.132 -0.555 273PHE HE1 3815 -2.246 0.211 -0.560 273PHE CZ 3816 -2.049 0.156 -0.494 273PHE HZ 3817 -2.027 0.253 -0.453 273PHE CD2 3818 -1.980 -0.071 -0.543 273PHE HD2 3819 -1.905 -0.149 -0.539 273PHE CE2 3820 -1.952 0.054 -0.488 273PHE HE2 3821 -1.856 0.072 -0.442 273PHE C 3822 -2.049 -0.152 -0.890 273PHE O 3823 -2.050 -0.032 -0.918 274TYR N 3824 -1.945 -0.229 -0.924 274TYR HN 3825 -1.947 -0.328 -0.913 274TYR CA 3826 -1.818 -0.172 -0.962 274TYR HA 3827 -1.831 -0.073 -1.003 274TYR CB 3828 -1.726 -0.168 -0.837 274TYR HB1 3829 -1.714 -0.270 -0.795 274TYR HB2 3830 -1.776 -0.107 -0.758 274TYR CG 3831 -1.589 -0.111 -0.860 274TYR CD1 3832 -1.566 0.026 -0.839 274TYR HD1 3833 -1.648 0.090 -0.811 274TYR CE1 3834 -1.436 0.079 -0.846 274TYR HE1 3835 -1.419 0.184 -0.827 274TYR CZ 3836 -1.328 -0.005 -0.875 274TYR OH 3837 -1.198 0.046 -0.882 274TYR HH 3838 -1.139 -0.028 -0.900 274TYR CD2 3839 -1.479 -0.194 -0.891 274TYR HD2 3840 -1.494 -0.300 -0.905 274TYR CE2 3841 -1.350 -0.141 -0.899 274TYR HE2 3842 -1.266 -0.206 -0.921 274TYR C 3843 -1.761 -0.259 -1.071 274TYR O 3844 -1.764 -0.382 -1.061 275GLY N 3845 -1.711 -0.197 -1.179 275GLY HN 3846 -1.716 -0.098 -1.189 275GLY CA 3847 -1.655 -0.271 -1.291 275GLY HA1 3848 -1.710 -0.362 -1.306 275GLY HA2 3849 -1.550 -0.285 -1.268 275GLY C 3850 -1.664 -0.189 -1.418 275GLY O 3851 -1.712 -0.078 -1.416 276PRO N 3852 -1.617 -0.241 -1.531 276PRO CD 3853 -1.539 -0.365 -1.541 276PRO HD1 3854 -1.602 -0.441 -1.591 276PRO HD2 3855 -1.503 -0.405 -1.443 276PRO CA 3856 -1.594 -0.154 -1.647 276PRO HA 3857 -1.567 -0.055 -1.614 276PRO CB 3858 -1.478 -0.221 -1.724 276PRO HB1 3859 -1.401 -0.146 -1.752 276PRO HB2 3860 -1.512 -0.274 -1.815 276PRO CG 3861 -1.420 -0.326 -1.628 276PRO HG1 3862 -1.375 -0.412 -1.680 276PRO HG2 3863 -1.342 -0.278 -1.564 276PRO C 3864 -1.715 -0.144 -1.736 276PRO O 3865 -1.763 -0.245 -1.788 277GLY N 3866 -1.763 -0.021 -1.764 277GLY HN 3867 -1.726 0.062 -1.719 277GLY CA 3868 -1.875 0.002 -1.853 277GLY HA1 3869 -1.904 -0.090 -1.903 277GLY HA2 3870 -1.846 0.080 -1.922 277GLY C 3871 -1.995 0.051 -1.779 277GLY O 3872 -2.002 0.056 -1.656 278SER N 3873 -2.100 0.085 -1.854 278SER HN 3874 -2.098 0.075 -1.954 278SER CA 3875 -2.218 0.150 -1.800 278SER HA 3876 -2.191 0.208 -1.714 278SER CB 3877 -2.279 0.245 -1.906 278SER HB1 3878 -2.204 0.325 -1.925 278SER HB2 3879 -2.372 0.293 -1.869 278SER OG 3880 -2.303 0.176 -2.029 278SER HG1 3881 -2.379 0.119 -2.014 278SER C 3882 -2.323 0.049 -1.755 278SER O 3883 -2.439 0.081 -1.734 279SER N 3884 -2.280 -0.076 -1.735 279SER HN 3885 -2.186 -0.101 -1.758 279SER CA 3886 -2.357 -0.184 -1.678 279SER HA 3887 -2.463 -0.166 -1.692 279SER CB 3888 -2.316 -0.318 -1.745 279SER HB1 3889 -2.357 -0.319 -1.848 279SER HB2 3890 -2.359 -0.406 -1.691 279SER OG 3891 -2.174 -0.331 -1.753 279SER HG1 3892 -2.141 -0.359 -1.666 279SER C 3893 -2.333 -0.196 -1.530 279SER O 3894 -2.394 -0.279 -1.463 280PHE N 3895 -2.244 -0.109 -1.477 280PHE HN 3896 -2.199 -0.042 -1.535 280PHE CA 3897 -2.204 -0.105 -1.339 280PHE HA 3898 -2.258 -0.180 -1.283 280PHE CB 3899 -2.052 -0.127 -1.321 280PHE HB1 3900 -2.022 -0.119 -1.214 280PHE HB2 3901 -1.993 -0.051 -1.379 280PHE CG 3902 -2.015 -0.264 -1.371 280PHE CD1 3903 -2.010 -0.373 -1.283 280PHE HD1 3904 -2.034 -0.358 -1.179 280PHE CE1 3905 -1.970 -0.500 -1.327 280PHE HE1 3906 -1.963 -0.581 -1.257 280PHE CZ 3907 -1.935 -0.518 -1.462 280PHE HZ 3908 -1.903 -0.615 -1.496 280PHE CD2 3909 -1.978 -0.284 -1.505 280PHE HD2 3910 -1.977 -0.200 -1.573 280PHE CE2 3911 -1.939 -0.411 -1.551 280PHE HE2 3912 -1.911 -0.424 -1.654 280PHE C 3913 -2.243 0.029 -1.280 280PHE O 3914 -2.253 0.131 -1.350 281THR N 3915 -2.274 0.031 -1.150 281THR HN 3916 -2.271 -0.055 -1.097 281THR CA 3917 -2.312 0.150 -1.075 281THR HA 3918 -2.397 0.194 -1.124 281THR CB 3919 -2.349 0.117 -0.931 281THR HB 3920 -2.259 0.086 -0.873 281THR OG1 3921 -2.442 0.009 -0.925 281THR HG1 3922 -2.513 0.028 -0.989 281THR CG2 3923 -2.415 0.236 -0.861 281THR HG21 3924 -2.502 0.272 -0.919 281THR HG22 3925 -2.342 0.320 -0.850 281THR HG23 3926 -2.448 0.207 -0.759 281THR C 3927 -2.202 0.256 -1.075 281THR O 3928 -2.227 0.373 -1.100 282LEU N 3929 -2.077 0.212 -1.056 282LEU HN 3930 -2.061 0.116 -1.031 282LEU CA 3931 -1.958 0.292 -1.073 282LEU HA 3932 -1.983 0.394 -1.096 282LEU CB 3933 -1.867 0.287 -0.947 282LEU HB1 3934 -1.774 0.345 -0.965 282LEU HB2 3935 -1.838 0.181 -0.928 282LEU CG 3936 -1.930 0.343 -0.818 282LEU HG 3937 -2.024 0.287 -0.797 282LEU CD1 3938 -1.835 0.319 -0.700 282LEU HD11 3939 -1.739 0.372 -0.715 282LEU HD12 3940 -1.813 0.210 -0.689 282LEU HD13 3941 -1.881 0.354 -0.606 282LEU CD2 3942 -1.962 0.493 -0.830 282LEU HD21 3943 -2.039 0.510 -0.907 282LEU HD22 3944 -1.870 0.549 -0.856 282LEU HD23 3945 -1.999 0.530 -0.732 282LEU C 3946 -1.882 0.234 -1.191 282LEU O 3947 -1.841 0.118 -1.192 283ASP N 3948 -1.862 0.316 -1.296 283ASP HN 3949 -1.889 0.413 -1.291 283ASP CA 3950 -1.801 0.276 -1.421 283ASP HA 3951 -1.816 0.169 -1.436 283ASP CB 3952 -1.869 0.355 -1.536 283ASP HB1 3953 -1.863 0.463 -1.512 283ASP HB2 3954 -1.977 0.326 -1.538 283ASP CG 3955 -1.814 0.336 -1.676 283ASP OD1 3956 -1.707 0.270 -1.696 283ASP OD2 3957 -1.874 0.395 -1.768 283ASP C 3958 -1.651 0.301 -1.410 283ASP O 3959 -1.608 0.414 -1.386 284THR N 3960 -1.567 0.198 -1.424 284THR HN 3961 -1.602 0.105 -1.442 284THR CA 3962 -1.424 0.208 -1.395 284THR HA 3963 -1.408 0.284 -1.321 284THR CB 3964 -1.364 0.078 -1.342 284THR HB 3965 -1.255 0.087 -1.326 284THR OG1 3966 -1.388 -0.031 -1.430 284THR HG1 3967 -1.358 -0.110 -1.383 284THR CG2 3968 -1.430 0.044 -1.208 284THR HG21 3969 -1.541 0.041 -1.216 284THR HG22 3970 -1.402 0.119 -1.131 284THR HG23 3971 -1.396 -0.055 -1.171 284THR C 3972 -1.345 0.251 -1.517 284THR O 3973 -1.222 0.257 -1.515 285THR N 3974 -1.415 0.292 -1.625 285THR HN 3975 -1.515 0.283 -1.625 285THR CA 3976 -1.352 0.351 -1.742 285THR HA 3977 -1.251 0.316 -1.750 285THR CB 3978 -1.424 0.315 -1.873 285THR HB 3979 -1.363 0.352 -1.959 285THR OG1 3980 -1.556 0.371 -1.885 285THR HG1 3981 -1.610 0.327 -1.816 285THR CG2 3982 -1.435 0.162 -1.884 285THR HG21 3983 -1.501 0.121 -1.805 285THR HG22 3984 -1.335 0.115 -1.874 285THR HG23 3985 -1.478 0.134 -1.983 285THR C 3986 -1.348 0.502 -1.727 285THR O 3987 -1.300 0.574 -1.815 286LYS N 3988 -1.396 0.552 -1.612 286LYS HN 3989 -1.428 0.488 -1.541 286LYS CA 3990 -1.410 0.691 -1.580 286LYS HA 3991 -1.352 0.751 -1.648 286LYS CB 3992 -1.560 0.733 -1.583 286LYS HB1 3993 -1.571 0.839 -1.551 286LYS HB2 3994 -1.615 0.669 -1.510 286LYS CG 3995 -1.625 0.715 -1.722 286LYS HG1 3996 -1.603 0.611 -1.757 286LYS HG2 3997 -1.578 0.786 -1.793 286LYS CD 3998 -1.778 0.733 -1.720 286LYS HD1 3999 -1.801 0.832 -1.676 286LYS HD2 4000 -1.822 0.655 -1.652 286LYS CE 4001 -1.844 0.722 -1.859 286LYS HE1 4002 -1.806 0.804 -1.924 286LYS HE2 4003 -1.954 0.732 -1.849 286LYS NZ 4004 -1.814 0.592 -1.923 286LYS HZ1 4005 -1.847 0.514 -1.859 286LYS HZ2 4006 -1.712 0.575 -1.934 286LYS HZ3 4007 -1.864 0.578 -2.013 286LYS C 4008 -1.356 0.711 -1.440 286LYS O 4009 -1.362 0.624 -1.355 287LYS N 4010 -1.299 0.832 -1.414 287LYS HN 4011 -1.289 0.898 -1.487 287LYS CA 4012 -1.253 0.872 -1.283 287LYS HA 4013 -1.184 0.796 -1.248 287LYS CB 4014 -1.179 1.009 -1.293 287LYS HB1 4015 -1.253 1.089 -1.313 287LYS HB2 4016 -1.110 1.002 -1.380 287LYS CG 4017 -1.093 1.046 -1.170 287LYS HG1 4018 -1.015 0.967 -1.159 287LYS HG2 4019 -1.155 1.044 -1.078 287LYS CD 4020 -1.021 1.182 -1.180 287LYS HD1 4021 -0.957 1.182 -1.271 287LYS HD2 4022 -0.954 1.189 -1.092 287LYS CE 4023 -1.117 1.302 -1.184 287LYS HE1 4024 -1.196 1.291 -1.107 287LYS HE2 4025 -1.163 1.311 -1.284 287LYS NZ 4026 -1.044 1.427 -1.154 287LYS HZ1 4027 -0.953 1.427 -1.205 287LYS HZ2 4028 -1.030 1.433 -1.050 287LYS HZ3 4029 -1.100 1.509 -1.186 287LYS C 4030 -1.368 0.878 -1.182 287LYS O 4031 -1.481 0.911 -1.214 288LEU N 4032 -1.339 0.844 -1.055 288LEU HN 4033 -1.247 0.813 -1.029 288LEU CA 4034 -1.436 0.847 -0.949 288LEU HA 4035 -1.517 0.913 -0.975 288LEU CB 4036 -1.494 0.707 -0.913 288LEU HB1 4037 -1.548 0.667 -1.001 288LEU HB2 4038 -1.570 0.720 -0.832 288LEU CG 4039 -1.394 0.599 -0.865 288LEU HG 4040 -1.320 0.644 -0.794 288LEU CD1 4041 -1.469 0.490 -0.787 288LEU HD11 4042 -1.545 0.441 -0.851 288LEU HD12 4043 -1.520 0.534 -0.698 288LEU HD13 4044 -1.398 0.412 -0.751 288LEU CD2 4045 -1.316 0.535 -0.981 288LEU HD21 4046 -1.243 0.606 -1.025 288LEU HD22 4047 -1.385 0.503 -1.061 288LEU HD23 4048 -1.259 0.446 -0.946 288LEU C 4049 -1.370 0.907 -0.827 288LEU O 4050 -1.247 0.914 -0.817 289THR N 4051 -1.452 0.954 -0.733 289THR HN 4052 -1.551 0.954 -0.748 289THR CA 4053 -1.408 1.009 -0.607 289THR HA 4054 -1.301 1.020 -0.605 289THR CB 4055 -1.474 1.143 -0.574 289THR HB 4056 -1.583 1.127 -0.558 289THR OG1 4057 -1.457 1.236 -0.680 289THR HG1 4058 -1.361 1.256 -0.681 289THR CG2 4059 -1.413 1.208 -0.449 289THR HG21 4060 -1.304 1.222 -0.464 289THR HG22 4061 -1.429 1.146 -0.358 289THR HG23 4062 -1.460 1.307 -0.432 289THR C 4063 -1.447 0.908 -0.501 289THR O 4064 -1.555 0.853 -0.503 290VAL N 4065 -1.355 0.883 -0.406 290VAL HN 4066 -1.267 0.931 -0.407 290VAL CA 4067 -1.370 0.783 -0.302 290VAL HA 4068 -1.469 0.740 -0.304 290VAL CB 4069 -1.265 0.673 -0.316 290VAL HB 4070 -1.163 0.717 -0.307 290VAL CG1 4071 -1.284 0.566 -0.207 290VAL HG11 4072 -1.385 0.521 -0.213 290VAL HG12 4073 -1.268 0.607 -0.105 290VAL HG13 4074 -1.210 0.484 -0.222 290VAL CG2 4075 -1.275 0.608 -0.456 290VAL HG21 4076 -1.251 0.681 -0.536 290VAL HG22 4077 -1.376 0.568 -0.474 290VAL HG23 4078 -1.202 0.525 -0.464 290VAL C 4079 -1.353 0.857 -0.171 290VAL O 4080 -1.252 0.926 -0.150 291VAL N 4081 -1.452 0.850 -0.080 291VAL HN 4082 -1.535 0.797 -0.097 291VAL CA 4083 -1.448 0.921 0.046 291VAL HA 4084 -1.352 0.970 0.059 291VAL CB 4085 -1.557 1.027 0.060 291VAL HB 4086 -1.657 0.979 0.062 291VAL CG1 4087 -1.536 1.108 0.190 291VAL HG11 4088 -1.433 1.151 0.194 291VAL HG12 4089 -1.550 1.045 0.280 291VAL HG13 4090 -1.608 1.192 0.196 291VAL CG2 4091 -1.552 1.121 -0.063 291VAL HG21 4092 -1.582 1.066 -0.155 291VAL HG22 4093 -1.450 1.161 -0.077 291VAL HG23 4094 -1.622 1.206 -0.049 291VAL C 4095 -1.464 0.820 0.157 291VAL O 4096 -1.556 0.741 0.161 292THR N 4097 -1.368 0.820 0.252 292THR HN 4098 -1.295 0.888 0.250 292THR CA 4099 -1.365 0.722 0.361 292THR HA 4100 -1.453 0.659 0.358 292THR CB 4101 -1.242 0.634 0.356 292THR HB 4102 -1.150 0.691 0.383 292THR OG1 4103 -1.226 0.583 0.224 292THR HG1 4104 -1.208 0.662 0.170 292THR CG2 4105 -1.257 0.513 0.449 292THR HG21 4106 -1.347 0.453 0.423 292THR HG22 4107 -1.265 0.545 0.555 292THR HG23 4108 -1.168 0.447 0.440 292THR C 4109 -1.369 0.800 0.488 292THR O 4110 -1.290 0.895 0.506 293GLN N 4111 -1.462 0.769 0.579 293GLN HN 4112 -1.520 0.688 0.566 293GLN CA 4113 -1.489 0.848 0.698 293GLN HA 4114 -1.423 0.933 0.703 293GLN CB 4115 -1.638 0.894 0.702 293GLN HB1 4116 -1.651 0.964 0.787 293GLN HB2 4117 -1.702 0.805 0.721 293GLN CG 4118 -1.687 0.961 0.571 293GLN HG1 4119 -1.675 0.891 0.485 293GLN HG2 4120 -1.627 1.051 0.550 293GLN CD 4121 -1.836 0.998 0.576 293GLN OE1 4122 -1.926 0.913 0.581 293GLN NE2 4123 -1.865 1.130 0.574 293GLN HE21 4124 -1.789 1.196 0.567 293GLN HE22 4125 -1.959 1.158 0.593 293GLN C 4126 -1.464 0.758 0.818 293GLN O 4127 -1.510 0.647 0.823 294PHE N 4128 -1.387 0.810 0.918 294PHE HN 4129 -1.347 0.901 0.913 294PHE CA 4130 -1.354 0.732 1.036 294PHE HA 4131 -1.389 0.630 1.028 294PHE CB 4132 -1.202 0.734 1.063 294PHE HB1 4133 -1.177 0.682 1.158 294PHE HB2 4134 -1.166 0.839 1.069 294PHE CG 4135 -1.127 0.669 0.951 294PHE CD1 4136 -1.088 0.739 0.836 294PHE HD1 4137 -1.114 0.844 0.826 294PHE CE1 4138 -1.018 0.675 0.733 294PHE HE1 4139 -0.990 0.730 0.644 294PHE CZ 4140 -0.985 0.540 0.746 294PHE HZ 4141 -0.931 0.488 0.668 294PHE CD2 4142 -1.090 0.534 0.964 294PHE HD2 4143 -1.117 0.479 1.053 294PHE CE2 4144 -1.020 0.470 0.862 294PHE HE2 4145 -0.994 0.366 0.873 294PHE C 4146 -1.421 0.794 1.156 294PHE O 4147 -1.373 0.897 1.209 295GLU N 4148 -1.530 0.737 1.207 295GLU HN 4149 -1.564 0.649 1.172 295GLU CA 4150 -1.601 0.797 1.318 295GLU HA 4151 -1.586 0.904 1.312 295GLU CB 4152 -1.755 0.777 1.315 295GLU HB1 4153 -1.794 0.809 1.215 295GLU HB2 4154 -1.798 0.848 1.389 295GLU CG 4155 -1.807 0.636 1.346 295GLU HG1 4156 -1.736 0.580 1.411 295GLU HG2 4157 -1.819 0.576 1.253 295GLU CD 4158 -1.939 0.641 1.422 295GLU OE1 4159 -2.041 0.700 1.369 295GLU OE2 4160 -1.941 0.594 1.536 295GLU C 4161 -1.542 0.755 1.451 295GLU O 4162 -1.453 0.670 1.463 296THR N 4163 -1.589 0.817 1.560 296THR HN 4164 -1.666 0.880 1.554 296THR CA 4165 -1.525 0.810 1.691 296THR HA 4166 -1.418 0.809 1.674 296THR CB 4167 -1.555 0.932 1.777 296THR HB 4168 -1.514 0.920 1.880 296THR OG1 4169 -1.695 0.958 1.785 296THR HG1 4170 -1.704 1.051 1.806 296THR CG2 4171 -1.486 1.052 1.711 296THR HG21 4172 -1.528 1.072 1.610 296THR HG22 4173 -1.378 1.030 1.697 296THR HG23 4174 -1.497 1.144 1.772 296THR C 4175 -1.554 0.685 1.769 296THR O 4176 -1.489 0.658 1.870 297SER N 4177 -1.651 0.602 1.727 297SER HN 4178 -1.709 0.624 1.648 297SER CA 4179 -1.664 0.466 1.779 297SER HA 4180 -1.669 0.474 1.887 297SER CB 4181 -1.793 0.395 1.731 297SER HB1 4182 -1.880 0.458 1.761 297SER HB2 4183 -1.804 0.296 1.778 297SER OG 4184 -1.798 0.383 1.588 297SER HG1 4185 -1.857 0.454 1.557 297SER C 4186 -1.542 0.380 1.748 297SER O 4187 -1.483 0.318 1.836 298GLY N 4188 -1.497 0.388 1.620 298GLY HN 4189 -1.542 0.452 1.559 298GLY CA 4190 -1.394 0.307 1.558 298GLY HA1 4191 -1.365 0.225 1.622 298GLY HA2 4192 -1.312 0.372 1.531 298GLY C 4193 -1.445 0.247 1.430 298GLY O 4194 -1.373 0.174 1.362 299ALA N 4195 -1.571 0.276 1.393 299ALA HN 4196 -1.631 0.331 1.451 299ALA CA 4197 -1.632 0.233 1.270 299ALA HA 4198 -1.598 0.132 1.248 299ALA CB 4199 -1.786 0.230 1.282 299ALA HB1 4200 -1.826 0.332 1.300 299ALA HB2 4201 -1.816 0.166 1.367 299ALA HB3 4202 -1.833 0.190 1.190 299ALA C 4203 -1.593 0.318 1.151 299ALA O 4204 -1.557 0.437 1.164 300ILE N 4205 -1.599 0.259 1.031 300ILE HN 4206 -1.633 0.164 1.023 300ILE CA 4207 -1.555 0.321 0.908 300ILE HA 4208 -1.528 0.424 0.927 300ILE CB 4209 -1.434 0.250 0.847 300ILE HB 4210 -1.463 0.148 0.814 300ILE CG2 4211 -1.385 0.330 0.723 300ILE HG21 4212 -1.354 0.432 0.753 300ILE HG22 4213 -1.465 0.338 0.646 300ILE HG23 4214 -1.299 0.279 0.676 300ILE CG1 4215 -1.321 0.233 0.952 300ILE HG11 4216 -1.360 0.181 1.042 300ILE HG12 4217 -1.286 0.334 0.984 300ILE CD 4218 -1.202 0.150 0.902 300ILE HD1 4219 -1.152 0.199 0.816 300ILE HD2 4220 -1.235 0.049 0.870 300ILE HD3 4221 -1.126 0.138 0.983 300ILE C 4222 -1.674 0.322 0.813 300ILE O 4223 -1.738 0.223 0.785 301ASN N 4224 -1.707 0.443 0.760 301ASN HN 4225 -1.650 0.522 0.783 301ASN CA 4226 -1.810 0.460 0.660 301ASN HA 4227 -1.863 0.366 0.647 301ASN CB 4228 -1.912 0.572 0.695 301ASN HB1 4229 -1.992 0.579 0.619 301ASN HB2 4230 -1.860 0.669 0.700 301ASN CG 4231 -1.977 0.552 0.832 301ASN OD1 4232 -1.956 0.634 0.922 301ASN ND2 4233 -2.063 0.449 0.844 301ASN HD21 4234 -2.100 0.428 0.937 301ASN HD22 4235 -2.077 0.384 0.771 301ASN C 4236 -1.745 0.493 0.527 301ASN O 4237 -1.630 0.539 0.520 302ARG N 4238 -1.818 0.474 0.418 302ARG HN 4239 -1.911 0.438 0.422 302ARG CA 4240 -1.766 0.493 0.284 302ARG HA 4241 -1.690 0.570 0.286 302ARG CB 4242 -1.702 0.361 0.234 302ARG HB1 4243 -1.768 0.277 0.266 302ARG HB2 4244 -1.605 0.346 0.287 302ARG CG 4245 -1.680 0.343 0.081 302ARG HG1 4246 -1.778 0.350 0.030 302ARG HG2 4247 -1.645 0.239 0.064 302ARG CD 4248 -1.582 0.438 0.013 302ARG HD1 4249 -1.609 0.544 0.031 302ARG HD2 4250 -1.580 0.423 -0.097 302ARG NE 4251 -1.444 0.415 0.069 302ARG HE 4252 -1.406 0.478 0.135 302ARG CZ 4253 -1.361 0.322 0.023 302ARG NH1 4254 -1.389 0.232 -0.066 302ARG HH11 4255 -1.483 0.221 -0.101 302ARG HH12 4256 -1.324 0.162 -0.096 302ARG NH2 4257 -1.238 0.327 0.076 302ARG HH21 4258 -1.217 0.397 0.142 302ARG HH22 4259 -1.168 0.261 0.048 302ARG C 4260 -1.876 0.543 0.192 302ARG O 4261 -1.989 0.500 0.198 303TYR N 4262 -1.840 0.640 0.104 303TYR HN 4263 -1.749 0.679 0.104 303TYR CA 4264 -1.926 0.677 -0.006 303TYR HA 4265 -1.981 0.590 -0.038 303TYR CB 4266 -2.028 0.791 0.027 303TYR HB1 4267 -2.085 0.761 0.118 303TYR HB2 4268 -2.102 0.799 -0.055 303TYR CG 4269 -1.969 0.928 0.051 303TYR CD1 4270 -1.956 1.018 -0.056 303TYR HD1 4271 -1.979 0.986 -0.157 303TYR CE1 4272 -1.915 1.151 -0.034 303TYR HE1 4273 -1.905 1.219 -0.116 303TYR CZ 4274 -1.886 1.193 0.096 303TYR OH 4275 -1.848 1.327 0.119 303TYR HH 4276 -1.815 1.334 0.210 303TYR CD2 4277 -1.939 0.972 0.180 303TYR HD2 4278 -1.950 0.903 0.263 303TYR CE2 4279 -1.897 1.104 0.203 303TYR HE2 4280 -1.873 1.136 0.303 303TYR C 4281 -1.837 0.712 -0.123 303TYR O 4282 -1.714 0.733 -0.108 304TYR N 4283 -1.894 0.716 -0.242 304TYR HN 4284 -1.994 0.698 -0.250 304TYR CA 4285 -1.826 0.738 -0.366 304TYR HA 4286 -1.726 0.774 -0.348 304TYR CB 4287 -1.825 0.613 -0.459 304TYR HB1 4288 -1.759 0.631 -0.547 304TYR HB2 4289 -1.927 0.591 -0.497 304TYR CG 4290 -1.778 0.488 -0.388 304TYR CD1 4291 -1.864 0.415 -0.304 304TYR HD1 4292 -1.965 0.450 -0.287 304TYR CE1 4293 -1.819 0.298 -0.241 304TYR HE1 4294 -1.885 0.244 -0.173 304TYR CZ 4295 -1.691 0.250 -0.264 304TYR OH 4296 -1.638 0.139 -0.192 304TYR HH 4297 -1.602 0.074 -0.254 304TYR CD2 4298 -1.650 0.437 -0.413 304TYR HD2 4299 -1.583 0.488 -0.480 304TYR CE2 4300 -1.606 0.317 -0.352 304TYR HE2 4301 -1.507 0.279 -0.371 304TYR C 4302 -1.906 0.846 -0.436 304TYR O 4303 -2.025 0.862 -0.414 305VAL N 4304 -1.839 0.923 -0.524 305VAL HN 4305 -1.742 0.909 -0.540 305VAL CA 4306 -1.909 1.019 -0.608 305VAL HA 4307 -2.014 0.998 -0.608 305VAL CB 4308 -1.890 1.166 -0.567 305VAL HB 4309 -1.783 1.196 -0.580 305VAL CG1 4310 -1.977 1.258 -0.655 305VAL HG11 4311 -2.085 1.231 -0.645 305VAL HG12 4312 -1.948 1.251 -0.762 305VAL HG13 4313 -1.964 1.363 -0.623 305VAL CG2 4314 -1.926 1.184 -0.419 305VAL HG21 4315 -1.855 1.128 -0.354 305VAL HG22 4316 -2.029 1.148 -0.398 305VAL HG23 4317 -1.920 1.291 -0.390 305VAL C 4318 -1.859 0.997 -0.748 305VAL O 4319 -1.737 0.999 -0.774 306GLN N 4320 -1.948 0.975 -0.845 306GLN HN 4321 -2.046 0.966 -0.823 306GLN CA 4322 -1.909 0.973 -0.984 306GLN HA 4323 -1.817 1.028 -0.996 306GLN CB 4324 -1.886 0.831 -1.040 306GLN HB1 4325 -1.979 0.770 -1.028 306GLN HB2 4326 -1.808 0.783 -0.977 306GLN CG 4327 -1.840 0.830 -1.187 306GLN HG1 4328 -1.753 0.898 -1.200 306GLN HG2 4329 -1.922 0.866 -1.253 306GLN CD 4330 -1.802 0.690 -1.235 306GLN OE1 4331 -1.890 0.609 -1.269 306GLN NE2 4332 -1.671 0.660 -1.239 306GLN HE21 4333 -1.643 0.568 -1.270 306GLN HE22 4334 -1.602 0.728 -1.214 306GLN C 4335 -2.013 1.047 -1.065 306GLN O 4336 -2.132 1.022 -1.058 307ASN N 4337 -1.967 1.148 -1.142 307ASN HN 4338 -1.869 1.165 -1.140 307ASN CA 4339 -2.049 1.230 -1.229 307ASN HA 4340 -1.982 1.301 -1.274 307ASN CB 4341 -2.118 1.150 -1.344 307ASN HB1 4342 -2.176 1.219 -1.409 307ASN HB2 4343 -2.188 1.075 -1.301 307ASN CG 4344 -2.013 1.082 -1.431 307ASN OD1 4345 -1.898 1.124 -1.437 307ASN ND2 4346 -2.055 0.975 -1.501 307ASN HD21 4347 -1.984 0.918 -1.545 307ASN HD22 4348 -2.149 0.944 -1.495 307ASN C 4349 -2.149 1.317 -1.153 307ASN O 4350 -2.254 1.356 -1.205 308GLY N 4351 -2.114 1.350 -1.027 308GLY HN 4352 -2.029 1.313 -0.992 308GLY CA 4353 -2.192 1.436 -0.938 308GLY HA1 4354 -2.246 1.509 -0.996 308GLY HA2 4355 -2.122 1.478 -0.868 308GLY C 4356 -2.293 1.360 -0.857 308GLY O 4357 -2.365 1.417 -0.776 309VAL N 4358 -2.298 1.227 -0.877 309VAL HN 4359 -2.232 1.182 -0.937 309VAL CA 4360 -2.397 1.140 -0.820 309VAL HA 4361 -2.481 1.197 -0.782 309VAL CB 4362 -2.446 1.036 -0.920 309VAL HB 4363 -2.361 0.971 -0.952 309VAL CG1 4364 -2.555 0.948 -0.856 309VAL HG11 4365 -2.639 1.010 -0.819 309VAL HG12 4366 -2.515 0.886 -0.773 309VAL HG13 4367 -2.595 0.878 -0.932 309VAL CG2 4368 -2.502 1.106 -1.046 309VAL HG21 4369 -2.435 1.187 -1.082 309VAL HG22 4370 -2.603 1.147 -1.025 309VAL HG23 4371 -2.512 1.031 -1.127 309VAL C 4372 -2.330 1.070 -0.705 309VAL O 4373 -2.224 1.010 -0.720 310THR N 4374 -2.390 1.080 -0.585 310THR HN 4375 -2.478 1.125 -0.576 310THR CA 4376 -2.333 1.022 -0.464 310THR HA 4377 -2.227 1.010 -0.477 310THR CB 4378 -2.355 1.110 -0.343 310THR HB 4379 -2.464 1.127 -0.326 310THR OG1 4380 -2.293 1.237 -0.364 310THR HG1 4381 -2.316 1.262 -0.454 310THR CG2 4382 -2.292 1.050 -0.216 310THR HG21 4383 -2.186 1.024 -0.235 310THR HG22 4384 -2.346 0.959 -0.183 310THR HG23 4385 -2.296 1.123 -0.133 310THR C 4386 -2.393 0.885 -0.441 310THR O 4387 -2.513 0.865 -0.440 311PHE N 4388 -2.304 0.785 -0.421 311PHE HN 4389 -2.206 0.804 -0.422 311PHE CA 4390 -2.342 0.649 -0.391 311PHE HA 4391 -2.450 0.639 -0.384 311PHE CB 4392 -2.286 0.547 -0.494 311PHE HB1 4393 -2.318 0.444 -0.468 311PHE HB2 4394 -2.175 0.549 -0.495 311PHE CG 4395 -2.336 0.579 -0.632 311PHE CD1 4396 -2.458 0.528 -0.677 311PHE HD1 4397 -2.519 0.468 -0.611 311PHE CE1 4398 -2.502 0.551 -0.809 311PHE HE1 4399 -2.596 0.511 -0.842 311PHE CZ 4400 -2.421 0.624 -0.897 311PHE HZ 4401 -2.453 0.639 -0.999 311PHE CD2 4402 -2.257 0.654 -0.721 311PHE HD2 4403 -2.162 0.693 -0.688 311PHE CE2 4404 -2.299 0.676 -0.853 311PHE HE2 4405 -2.236 0.732 -0.921 311PHE C 4406 -2.283 0.618 -0.257 311PHE O 4407 -2.162 0.633 -0.236 312GLN N 4408 -2.364 0.575 -0.160 312GLN HN 4409 -2.461 0.563 -0.177 312GLN CA 4410 -2.314 0.516 -0.037 312GLN HA 4411 -2.235 0.578 0.002 312GLN CB 4412 -2.429 0.502 0.067 312GLN HB1 4413 -2.499 0.421 0.034 312GLN HB2 4414 -2.487 0.597 0.066 312GLN CG 4415 -2.385 0.475 0.213 312GLN HG1 4416 -2.324 0.382 0.217 312GLN HG2 4417 -2.476 0.459 0.274 312GLN CD 4418 -2.306 0.591 0.274 312GLN OE1 4419 -2.307 0.705 0.228 312GLN NE2 4420 -2.240 0.563 0.389 312GLN HE21 4421 -2.181 0.635 0.424 312GLN HE22 4422 -2.234 0.468 0.420 312GLN C 4423 -2.257 0.379 -0.071 312GLN O 4424 -2.300 0.317 -0.168 313GLN N 4425 -2.159 0.329 0.008 313GLN HN 4426 -2.118 0.385 0.079 313GLN CA 4427 -2.122 0.187 0.013 313GLN HA 4428 -2.056 0.169 -0.070 313GLN CB 4429 -2.045 0.162 0.146 313GLN HB1 4430 -2.115 0.180 0.231 313GLN HB2 4431 -1.965 0.238 0.154 313GLN CG 4432 -1.982 0.022 0.166 313GLN HG1 4433 -2.054 -0.058 0.142 313GLN HG2 4434 -1.952 0.009 0.272 313GLN CD 4435 -1.860 0.003 0.075 313GLN OE1 4436 -1.875 -0.005 -0.046 313GLN NE2 4437 -1.738 -0.002 0.134 313GLN HE21 4438 -1.661 -0.021 0.074 313GLN HE22 4439 -1.730 -0.007 0.233 313GLN C 4440 -2.244 0.094 0.004 313GLN O 4441 -2.340 0.118 0.075 314PRO N 4442 -2.251 -0.009 -0.083 314PRO CD 4443 -2.161 -0.034 -0.194 314PRO HD1 4444 -2.072 -0.091 -0.158 314PRO HD2 4445 -2.128 0.061 -0.243 314PRO CA 4446 -2.364 -0.100 -0.085 314PRO HA 4447 -2.451 -0.040 -0.109 314PRO CB 4448 -2.331 -0.201 -0.195 314PRO HB1 4449 -2.422 -0.241 -0.243 314PRO HB2 4450 -2.270 -0.286 -0.154 314PRO CG 4451 -2.243 -0.120 -0.290 314PRO HG1 4452 -2.179 -0.184 -0.354 314PRO HG2 4453 -2.306 -0.054 -0.354 314PRO C 4454 -2.392 -0.167 0.047 314PRO O 4455 -2.299 -0.198 0.121 315ASN N 4456 -2.520 -0.194 0.078 315ASN HN 4457 -2.594 -0.158 0.024 315ASN CA 4458 -2.554 -0.289 0.181 315ASN HA 4459 -2.500 -0.259 0.270 315ASN CB 4460 -2.706 -0.296 0.211 315ASN HB1 4461 -2.730 -0.388 0.267 315ASN HB2 4462 -2.763 -0.298 0.116 315ASN CG 4463 -2.748 -0.174 0.292 315ASN OD1 4464 -2.734 -0.058 0.252 315ASN ND2 4465 -2.806 -0.199 0.411 315ASN HD21 4466 -2.835 -0.124 0.470 315ASN HD22 4467 -2.832 -0.293 0.436 315ASN C 4468 -2.503 -0.428 0.147 315ASN O 4469 -2.507 -0.471 0.030 316ALA N 4470 -2.455 -0.496 0.250 316ALA HN 4471 -2.450 -0.455 0.341 316ALA CA 4472 -2.411 -0.632 0.246 316ALA HA 4473 -2.435 -0.678 0.151 316ALA CB 4474 -2.260 -0.638 0.274 316ALA HB1 4475 -2.235 -0.588 0.370 316ALA HB2 4476 -2.204 -0.586 0.193 316ALA HB3 4477 -2.223 -0.743 0.279 316ALA C 4478 -2.489 -0.700 0.356 316ALA O 4479 -2.507 -0.647 0.463 317GLU N 4480 -2.540 -0.822 0.326 317GLU HN 4481 -2.529 -0.863 0.237 317GLU CA 4482 -2.610 -0.900 0.425 317GLU HA 4483 -2.613 -0.849 0.521 317GLU CB 4484 -2.755 -0.934 0.382 317GLU HB1 4485 -2.803 -0.988 0.468 317GLU HB2 4486 -2.754 -1.001 0.294 317GLU CG 4487 -2.837 -0.807 0.348 317GLU HG1 4488 -2.807 -0.767 0.249 317GLU HG2 4489 -2.816 -0.729 0.425 317GLU CD 4490 -2.988 -0.831 0.349 317GLU OE1 4491 -3.040 -0.859 0.458 317GLU OE2 4492 -3.053 -0.812 0.241 317GLU C 4493 -2.527 -1.024 0.443 317GLU O 4494 -2.507 -1.103 0.348 318LEU N 4495 -2.470 -1.042 0.562 318LEU HN 4496 -2.495 -0.981 0.638 318LEU CA 4497 -2.371 -1.142 0.588 318LEU HA 4498 -2.380 -1.223 0.517 318LEU CB 4499 -2.230 -1.077 0.578 318LEU HB1 4500 -2.220 -0.999 0.658 318LEU HB2 4501 -2.225 -1.024 0.481 318LEU CG 4502 -2.109 -1.172 0.584 318LEU HG 4503 -2.113 -1.230 0.679 318LEU CD1 4504 -2.108 -1.270 0.467 318LEU HD11 4505 -2.107 -1.215 0.370 318LEU HD12 4506 -2.197 -1.337 0.468 318LEU HD13 4507 -2.017 -1.334 0.472 318LEU CD2 4508 -1.980 -1.090 0.585 318LEU HD21 4509 -1.969 -1.032 0.679 318LEU HD22 4510 -1.978 -1.018 0.500 318LEU HD23 4511 -1.891 -1.156 0.574 318LEU C 4512 -2.400 -1.195 0.727 318LEU O 4513 -2.394 -1.123 0.825 319GLY N 4514 -2.437 -1.325 0.740 319GLY HN 4515 -2.440 -1.384 0.660 319GLY CA 4516 -2.472 -1.382 0.870 319GLY HA1 4517 -2.386 -1.372 0.934 319GLY HA2 4518 -2.497 -1.486 0.852 319GLY C 4519 -2.591 -1.319 0.939 319GLY O 4520 -2.705 -1.327 0.895 320SER N 4521 -2.568 -1.257 1.057 320SER HN 4522 -2.476 -1.258 1.095 320SER CA 4523 -2.669 -1.183 1.130 320SER HA 4524 -2.768 -1.209 1.095 320SER CB 4525 -2.661 -1.212 1.283 320SER HB1 4526 -2.681 -1.320 1.296 320SER HB2 4527 -2.740 -1.156 1.339 320SER OG 4528 -2.532 -1.185 1.339 320SER HG1 4529 -2.509 -1.094 1.316 320SER C 4530 -2.656 -1.033 1.112 320SER O 4531 -2.729 -0.955 1.171 321TYR N 4532 -2.559 -0.992 1.027 321TYR HN 4533 -2.506 -1.058 0.974 321TYR CA 4534 -2.532 -0.855 0.994 321TYR HA 4535 -2.568 -0.791 1.074 321TYR CB 4536 -2.378 -0.831 0.980 321TYR HB1 4537 -2.335 -0.905 0.910 321TYR HB2 4538 -2.329 -0.846 1.079 321TYR CG 4539 -2.343 -0.694 0.929 321TYR CD1 4540 -2.327 -0.670 0.791 321TYR HD1 4541 -2.337 -0.752 0.721 321TYR CE1 4542 -2.303 -0.540 0.744 321TYR HE1 4543 -2.293 -0.522 0.638 321TYR CZ 4544 -2.292 -0.435 0.835 321TYR OH 4545 -2.270 -0.301 0.795 321TYR HH 4546 -2.209 -0.264 0.859 321TYR CD2 4547 -2.328 -0.588 1.019 321TYR HD2 4548 -2.338 -0.605 1.125 321TYR CE2 4549 -2.301 -0.459 0.972 321TYR HE2 4550 -2.289 -0.378 1.042 321TYR C 4551 -2.610 -0.812 0.870 321TYR O 4552 -2.629 -0.889 0.774 322SER N 4553 -2.654 -0.687 0.868 322SER HN 4554 -2.632 -0.627 0.944 322SER CA 4555 -2.707 -0.620 0.751 322SER HA 4556 -2.659 -0.658 0.662 322SER CB 4557 -2.861 -0.629 0.739 322SER HB1 4558 -2.910 -0.580 0.826 322SER HB2 4559 -2.891 -0.736 0.739 322SER OG 4560 -2.907 -0.568 0.618 322SER HG1 4561 -2.932 -0.641 0.559 322SER C 4562 -2.666 -0.476 0.774 322SER O 4563 -2.669 -0.428 0.885 323GLY N 4564 -2.621 -0.408 0.665 323GLY HN 4565 -2.607 -0.456 0.579 323GLY CA 4566 -2.578 -0.269 0.673 323GLY HA1 4567 -2.533 -0.250 0.769 323GLY HA2 4568 -2.663 -0.206 0.651 323GLY C 4569 -2.474 -0.240 0.569 323GLY O 4570 -2.440 -0.326 0.486 324ASN N 4571 -2.423 -0.116 0.567 324ASN HN 4572 -2.457 -0.048 0.632 324ASN CA 4573 -2.320 -0.069 0.475 324ASN HA 4574 -2.280 -0.153 0.419 324ASN CB 4575 -2.383 0.030 0.374 324ASN HB1 4576 -2.454 -0.027 0.311 324ASN HB2 4577 -2.304 0.071 0.308 324ASN CG 4578 -2.458 0.147 0.438 324ASN OD1 4579 -2.446 0.184 0.556 324ASN ND2 4580 -2.547 0.209 0.357 324ASN HD21 4581 -2.554 0.177 0.263 324ASN HD22 4582 -2.605 0.279 0.397 324ASN C 4583 -2.203 -0.005 0.547 324ASN O 4584 -2.129 0.079 0.491 325GLU N 4585 -2.183 -0.039 0.674 325GLU HN 4586 -2.236 -0.116 0.712 325GLU CA 4587 -2.086 0.022 0.762 325GLU HA 4588 -2.027 0.094 0.708 325GLU CB 4589 -2.157 0.091 0.881 325GLU HB1 4590 -2.229 0.019 0.924 325GLU HB2 4591 -2.216 0.176 0.839 325GLU CG 4592 -2.066 0.142 0.996 325GLU HG1 4593 -1.990 0.214 0.959 325GLU HG2 4594 -2.012 0.058 1.042 325GLU CD 4595 -2.150 0.210 1.104 325GLU OE1 4596 -2.157 0.154 1.216 325GLU OE2 4597 -2.214 0.316 1.075 325GLU C 4598 -1.990 -0.084 0.814 325GLU O 4599 -2.032 -0.183 0.871 326LEU N 4600 -1.858 -0.061 0.794 326LEU HN 4601 -1.824 0.022 0.752 326LEU CA 4602 -1.755 -0.149 0.846 326LEU HA 4603 -1.786 -0.252 0.830 326LEU CB 4604 -1.622 -0.125 0.771 326LEU HB1 4605 -1.576 -0.029 0.803 326LEU HB2 4606 -1.648 -0.114 0.663 326LEU CG 4607 -1.517 -0.238 0.777 326LEU HG 4608 -1.567 -0.335 0.753 326LEU CD1 4609 -1.410 -0.215 0.668 326LEU HD11 4610 -1.353 -0.122 0.687 326LEU HD12 4611 -1.457 -0.208 0.567 326LEU HD13 4612 -1.339 -0.300 0.666 326LEU CD2 4613 -1.448 -0.253 0.914 326LEU HD21 4614 -1.520 -0.282 0.992 326LEU HD22 4615 -1.398 -0.158 0.943 326LEU HD23 4616 -1.371 -0.333 0.907 326LEU C 4617 -1.745 -0.123 0.996 326LEU O 4618 -1.704 -0.016 1.042 327ASN N 4619 -1.787 -0.222 1.076 327ASN HN 4620 -1.818 -0.308 1.037 327ASN CA 4621 -1.801 -0.209 1.219 327ASN HA 4622 -1.723 -0.145 1.255 327ASN CB 4623 -1.939 -0.148 1.262 327ASN HB1 4624 -1.943 -0.044 1.222 327ASN HB2 4625 -1.945 -0.142 1.372 327ASN CG 4626 -2.062 -0.224 1.212 327ASN OD1 4627 -2.059 -0.341 1.176 327ASN ND2 4628 -2.177 -0.152 1.214 327ASN HD21 4629 -2.175 -0.055 1.234 327ASN HD22 4630 -2.261 -0.200 1.186 327ASN C 4631 -1.775 -0.346 1.279 327ASN O 4632 -1.757 -0.445 1.207 328ASP N 4633 -1.770 -0.358 1.413 328ASP HN 4634 -1.779 -0.279 1.473 328ASP CA 4635 -1.741 -0.483 1.481 328ASP HA 4636 -1.644 -0.517 1.446 328ASP CB 4637 -1.735 -0.461 1.635 328ASP HB1 4638 -1.719 -0.559 1.686 328ASP HB2 4639 -1.831 -0.418 1.670 328ASP CG 4640 -1.622 -0.368 1.677 328ASP OD1 4641 -1.504 -0.414 1.681 328ASP OD2 4642 -1.653 -0.250 1.706 328ASP C 4643 -1.841 -0.594 1.448 328ASP O 4644 -1.801 -0.711 1.432 329ASP N 4645 -1.972 -0.561 1.434 329ASP HN 4646 -2.002 -0.468 1.449 329ASP CA 4647 -2.076 -0.654 1.393 329ASP HA 4648 -2.073 -0.737 1.462 329ASP CB 4649 -2.220 -0.590 1.397 329ASP HB1 4650 -2.292 -0.662 1.352 329ASP HB2 4651 -2.221 -0.497 1.337 329ASP CG 4652 -2.276 -0.559 1.536 329ASP OD1 4653 -2.211 -0.596 1.638 329ASP OD2 4654 -2.389 -0.504 1.543 329ASP C 4655 -2.050 -0.712 1.255 329ASP O 4656 -2.065 -0.835 1.236 330TYR N 4657 -2.009 -0.632 1.155 330TYR HN 4658 -2.001 -0.532 1.170 330TYR CA 4659 -1.967 -0.678 1.023 330TYR HA 4660 -2.049 -0.736 0.981 330TYR CB 4661 -1.938 -0.558 0.927 330TYR HB1 4662 -1.870 -0.487 0.977 330TYR HB2 4663 -2.032 -0.503 0.904 330TYR CG 4664 -1.875 -0.600 0.796 330TYR CD1 4665 -1.949 -0.670 0.699 330TYR HD1 4666 -2.054 -0.688 0.715 330TYR CE1 4667 -1.887 -0.720 0.584 330TYR HE1 4668 -1.944 -0.776 0.511 330TYR CZ 4669 -1.750 -0.703 0.565 330TYR OH 4670 -1.687 -0.758 0.452 330TYR HH 4671 -1.592 -0.771 0.469 330TYR CD2 4672 -1.738 -0.579 0.773 330TYR HD2 4673 -1.678 -0.527 0.846 330TYR CE2 4674 -1.675 -0.631 0.659 330TYR HE2 4675 -1.568 -0.620 0.644 330TYR C 4676 -1.849 -0.774 1.029 330TYR O 4677 -1.853 -0.883 0.974 331CYS N 4678 -1.742 -0.736 1.102 331CYS HN 4679 -1.742 -0.648 1.148 331CYS CA 4680 -1.619 -0.815 1.108 331CYS HA 4681 -1.591 -0.840 1.007 331CYS CB 4682 -1.506 -0.734 1.175 331CYS HB1 4683 -1.413 -0.795 1.176 331CYS HB2 4684 -1.535 -0.710 1.280 331CYS SG 4685 -1.474 -0.579 1.087 331CYS C 4686 -1.638 -0.945 1.181 331CYS O 4687 -1.584 -1.051 1.141 332THR N 4688 -1.718 -0.946 1.287 332THR HN 4689 -1.761 -0.859 1.315 332THR CA 4690 -1.757 -1.067 1.360 332THR HA 4691 -1.666 -1.118 1.390 332THR CB 4692 -1.841 -1.035 1.484 332THR HB 4693 -1.936 -0.985 1.454 332THR OG1 4694 -1.771 -0.947 1.572 332THR HG1 4695 -1.764 -0.863 1.523 332THR CG2 4696 -1.872 -1.163 1.564 332THR HG21 4697 -1.777 -1.211 1.595 332THR HG22 4698 -1.929 -1.235 1.503 332THR HG23 4699 -1.930 -1.138 1.655 332THR C 4700 -1.837 -1.161 1.272 332THR O 4701 -1.816 -1.284 1.271 333ALA N 4702 -1.931 -1.107 1.194 333ALA HN 4703 -1.946 -1.008 1.193 333ALA CA 4704 -2.007 -1.182 1.095 333ALA HA 4705 -2.053 -1.265 1.145 333ALA CB 4706 -2.116 -1.092 1.033 333ALA HB1 4707 -2.071 -1.005 0.980 333ALA HB2 4708 -2.183 -1.052 1.113 333ALA HB3 4709 -2.177 -1.149 0.960 333ALA C 4710 -1.921 -1.237 0.984 333ALA O 4711 -1.937 -1.357 0.946 334GLU N 4712 -1.826 -1.161 0.931 334GLU HN 4713 -1.816 -1.064 0.959 334GLU CA 4714 -1.736 -1.202 0.826 334GLU HA 4715 -1.795 -1.236 0.743 334GLU CB 4716 -1.650 -1.083 0.780 334GLU HB1 4717 -1.584 -1.048 0.861 334GLU HB2 4718 -1.717 -0.998 0.753 334GLU CG 4719 -1.565 -1.119 0.655 334GLU HG1 4720 -1.633 -1.148 0.573 334GLU HG2 4721 -1.494 -1.201 0.674 334GLU CD 4722 -1.485 -0.999 0.606 334GLU OE1 4723 -1.466 -0.903 0.680 334GLU OE2 4724 -1.446 -1.010 0.484 334GLU C 4725 -1.648 -1.320 0.865 334GLU O 4726 -1.639 -1.419 0.794 335GLU N 4727 -1.589 -1.316 0.987 335GLU HN 4728 -1.594 -1.233 1.042 335GLU CA 4729 -1.513 -1.428 1.043 335GLU HA 4730 -1.435 -1.453 0.972 335GLU CB 4731 -1.448 -1.390 1.178 335GLU HB1 4732 -1.406 -1.482 1.225 335GLU HB2 4733 -1.526 -1.348 1.246 335GLU CG 4734 -1.330 -1.288 1.168 335GLU HG1 4735 -1.367 -1.193 1.126 335GLU HG2 4736 -1.252 -1.327 1.101 335GLU CD 4737 -1.271 -1.260 1.307 335GLU OE1 4738 -1.346 -1.257 1.404 335GLU OE2 4739 -1.144 -1.242 1.319 335GLU C 4740 -1.599 -1.553 1.062 335GLU O 4741 -1.554 -1.668 1.045 336ALA N 4742 -1.725 -1.539 1.103 336ALA HN 4743 -1.762 -1.447 1.119 336ALA CA 4744 -1.818 -1.651 1.110 336ALA HA 4745 -1.771 -1.729 1.167 336ALA CB 4746 -1.946 -1.607 1.184 336ALA HB1 4747 -2.002 -1.532 1.123 336ALA HB2 4748 -1.920 -1.560 1.281 336ALA HB3 4749 -2.012 -1.694 1.202 336ALA C 4750 -1.853 -1.713 0.976 336ALA O 4751 -1.860 -1.838 0.966 337GLU N 4752 -1.876 -1.634 0.872 337GLU HN 4753 -1.869 -1.534 0.883 337GLU CA 4754 -1.927 -1.680 0.744 337GLU HA 4755 -1.989 -1.767 0.761 337GLU CB 4756 -2.013 -1.570 0.678 337GLU HB1 4757 -2.039 -1.598 0.574 337GLU HB2 4758 -1.953 -1.476 0.674 337GLU CG 4759 -2.146 -1.540 0.753 337GLU HG1 4760 -2.194 -1.453 0.705 337GLU HG2 4761 -2.125 -1.513 0.859 337GLU CD 4762 -2.247 -1.655 0.753 337GLU OE1 4763 -2.296 -1.689 0.640 337GLU OE2 4764 -2.281 -1.709 0.860 337GLU C 4765 -1.816 -1.721 0.649 337GLU O 4766 -1.829 -1.825 0.580 338PHE N 4767 -1.706 -1.646 0.642 338PHE HN 4768 -1.696 -1.562 0.699 338PHE CA 4769 -1.595 -1.668 0.549 338PHE HA 4770 -1.625 -1.737 0.471 338PHE CB 4771 -1.544 -1.535 0.486 338PHE HB1 4772 -1.459 -1.557 0.418 338PHE HB2 4773 -1.509 -1.466 0.566 338PHE CG 4774 -1.644 -1.458 0.401 338PHE CD1 4775 -1.766 -1.511 0.356 338PHE HD1 4776 -1.796 -1.610 0.384 338PHE CE1 4777 -1.850 -1.435 0.273 338PHE HE1 4778 -1.945 -1.476 0.241 338PHE CZ 4779 -1.812 -1.306 0.234 338PHE HZ 4780 -1.876 -1.248 0.169 338PHE CD2 4781 -1.608 -1.328 0.362 338PHE HD2 4782 -1.515 -1.285 0.397 338PHE CE2 4783 -1.691 -1.253 0.278 338PHE HE2 4784 -1.661 -1.153 0.251 338PHE C 4785 -1.478 -1.730 0.621 338PHE O 4786 -1.375 -1.764 0.558 339GLY N 4787 -1.487 -1.753 0.752 339GLY HN 4788 -1.566 -1.717 0.803 339GLY CA 4789 -1.380 -1.811 0.831 339GLY HA1 4790 -1.336 -1.892 0.774 339GLY HA2 4791 -1.423 -1.844 0.924 339GLY C 4792 -1.268 -1.718 0.865 339GLY O 4793 -1.260 -1.603 0.822 340GLY N 4794 -1.175 -1.769 0.948 340GLY HN 4795 -1.192 -1.860 0.986 340GLY CA 4796 -1.063 -1.694 1.001 340GLY HA1 4797 -1.044 -1.606 0.941 340GLY HA2 4798 -0.979 -1.761 1.006 340GLY C 4799 -1.088 -1.648 1.142 340GLY O 4800 -1.190 -1.678 1.205 341SER N 4801 -0.989 -1.578 1.197 341SER HN 4802 -0.909 -1.555 1.142 341SER CA 4803 -0.995 -1.529 1.333 341SER HA 4804 -1.088 -1.475 1.345 341SER CB 4805 -0.985 -1.642 1.441 341SER HB1 4806 -1.069 -1.712 1.423 341SER HB2 4807 -0.997 -1.597 1.542 341SER OG 4808 -0.863 -1.717 1.437 341SER HG1 4809 -0.791 -1.652 1.443 341SER C 4810 -0.884 -1.431 1.362 341SER O 4811 -0.873 -1.378 1.472 342SER N 4812 -0.795 -1.403 1.265 342SER HN 4813 -0.802 -1.438 1.171 342SER CA 4814 -0.680 -1.317 1.282 342SER HA 4815 -0.625 -1.357 1.366 342SER CB 4816 -0.586 -1.324 1.160 342SER HB1 4817 -0.539 -1.425 1.161 342SER HB2 4818 -0.505 -1.248 1.165 342SER OG 4819 -0.658 -1.311 1.038 342SER HG1 4820 -0.655 -1.215 1.015 342SER C 4821 -0.714 -1.174 1.322 342SER O 4822 -0.646 -1.117 1.408 343PHE N 4823 -0.821 -1.115 1.265 343PHE HN 4824 -0.875 -1.163 1.196 343PHE CA 4825 -0.869 -0.982 1.300 343PHE HA 4826 -0.786 -0.914 1.289 343PHE CB 4827 -0.984 -0.940 1.203 343PHE HB1 4828 -1.071 -1.007 1.214 343PHE HB2 4829 -0.946 -0.950 1.099 343PHE CG 4830 -1.028 -0.796 1.221 343PHE CD1 4831 -0.956 -0.693 1.159 343PHE HD1 4832 -0.866 -0.718 1.104 343PHE CE1 4833 -0.999 -0.560 1.164 343PHE HE1 4834 -0.943 -0.484 1.113 343PHE CZ 4835 -1.117 -0.529 1.232 343PHE HZ 4836 -1.152 -0.427 1.232 343PHE CD2 4837 -1.148 -0.763 1.288 343PHE HD2 4838 -1.207 -0.842 1.332 343PHE CE2 4839 -1.192 -0.630 1.293 343PHE HE2 4840 -1.285 -0.605 1.341 343PHE C 4841 -0.913 -0.973 1.446 343PHE O 4842 -0.874 -0.883 1.522 344SER N 4843 -0.993 -1.071 1.493 344SER HN 4844 -1.027 -1.142 1.429 344SER CA 4845 -1.036 -1.081 1.632 344SER HA 4846 -1.071 -0.982 1.659 344SER CB 4847 -1.155 -1.176 1.655 344SER HB1 4848 -1.242 -1.137 1.597 344SER HB2 4849 -1.184 -1.177 1.762 344SER OG 4850 -1.129 -1.309 1.611 344SER HG1 4851 -1.137 -1.303 1.513 344SER C 4852 -0.925 -1.112 1.731 344SER O 4853 -0.923 -1.057 1.842 345ASP N 4854 -0.827 -1.198 1.692 345ASP HN 4855 -0.838 -1.245 1.603 345ASP CA 4856 -0.707 -1.233 1.767 345ASP HA 4857 -0.739 -1.275 1.862 345ASP CB 4858 -0.617 -1.337 1.691 345ASP HB1 4859 -0.520 -1.346 1.744 345ASP HB2 4860 -0.598 -1.298 1.589 345ASP CG 4861 -0.671 -1.479 1.680 345ASP OD1 4862 -0.764 -1.519 1.753 345ASP OD2 4863 -0.605 -1.558 1.604 345ASP C 4864 -0.622 -1.110 1.798 345ASP O 4865 -0.565 -1.095 1.907 346LYS N 4866 -0.613 -1.016 1.702 346LYS HN 4867 -0.658 -1.031 1.614 346LYS CA 4868 -0.534 -0.894 1.715 346LYS HA 4869 -0.456 -0.909 1.788 346LYS CB 4870 -0.464 -0.858 1.581 346LYS HB1 4871 -0.444 -0.749 1.574 346LYS HB2 4872 -0.533 -0.883 1.497 346LYS CG 4873 -0.329 -0.928 1.560 346LYS HG1 4874 -0.259 -0.892 1.639 346LYS HG2 4875 -0.288 -0.894 1.462 346LYS CD 4876 -0.333 -1.082 1.561 346LYS HD1 4877 -0.402 -1.115 1.481 346LYS HD2 4878 -0.374 -1.116 1.659 346LYS CE 4879 -0.194 -1.143 1.541 346LYS HE1 4880 -0.127 -1.114 1.625 346LYS HE2 4881 -0.149 -1.108 1.447 346LYS NZ 4882 -0.201 -1.290 1.537 346LYS HZ1 4883 -0.264 -1.323 1.460 346LYS HZ2 4884 -0.240 -1.326 1.625 346LYS HZ3 4885 -0.105 -1.328 1.520 346LYS C 4886 -0.615 -0.778 1.769 346LYS O 4887 -0.568 -0.665 1.780 347GLY N 4888 -0.740 -0.805 1.812 347GLY HN 4889 -0.776 -0.897 1.797 347GLY CA 4890 -0.816 -0.714 1.898 347GLY HA1 4891 -0.749 -0.648 1.949 347GLY HA2 4892 -0.872 -0.776 1.965 347GLY C 4893 -0.915 -0.629 1.824 347GLY O 4894 -0.972 -0.536 1.881 348GLY N 4895 -0.940 -0.661 1.695 348GLY HN 4896 -0.889 -0.738 1.653 348GLY CA 4897 -1.033 -0.595 1.604 348GLY HA1 4898 -1.133 -0.622 1.636 348GLY HA2 4899 -1.009 -0.632 1.505 348GLY C 4900 -1.026 -0.445 1.597 348GLY O 4901 -0.918 -0.383 1.613 349LEU N 4902 -1.139 -0.377 1.576 349LEU HN 4903 -1.227 -0.424 1.566 349LEU CA 4904 -1.144 -0.232 1.558 349LEU HA 4905 -1.073 -0.207 1.481 349LEU CB 4906 -1.284 -0.184 1.514 349LEU HB1 4907 -1.289 -0.072 1.516 349LEU HB2 4908 -1.360 -0.222 1.585 349LEU CG 4909 -1.325 -0.226 1.371 349LEU HG 4910 -1.319 -0.337 1.363 349LEU CD1 4911 -1.470 -0.185 1.346 349LEU HD11 4912 -1.480 -0.074 1.348 349LEU HD12 4913 -1.536 -0.228 1.424 349LEU HD13 4914 -1.503 -0.222 1.246 349LEU CD2 4915 -1.235 -0.163 1.264 349LEU HD21 4916 -1.129 -0.196 1.274 349LEU HD22 4917 -1.239 -0.052 1.269 349LEU HD23 4918 -1.270 -0.194 1.163 349LEU C 4919 -1.103 -0.157 1.683 349LEU O 4920 -1.052 -0.044 1.677 350THR N 4921 -1.122 -0.216 1.801 350THR HN 4922 -1.160 -0.308 1.799 350THR CA 4923 -1.076 -0.159 1.927 350THR HA 4924 -1.116 -0.059 1.933 350THR CB 4925 -1.128 -0.238 2.046 350THR HB 4926 -1.111 -0.347 2.027 350THR OG1 4927 -1.267 -0.211 2.061 350THR HG1 4928 -1.311 -0.247 1.982 350THR CG2 4929 -1.063 -0.200 2.180 350THR HG21 4930 -1.072 -0.091 2.198 350THR HG22 4931 -0.956 -0.227 2.183 350THR HG23 4932 -1.113 -0.255 2.262 350THR C 4933 -0.927 -0.142 1.938 350THR O 4934 -0.878 -0.036 1.981 351GLN N 4935 -0.849 -0.243 1.898 351GLN HN 4936 -0.889 -0.329 1.863 351GLN CA 4937 -0.705 -0.232 1.887 351GLN HA 4938 -0.668 -0.190 1.979 351GLN CB 4939 -0.639 -0.370 1.862 351GLN HB1 4940 -0.682 -0.415 1.770 351GLN HB2 4941 -0.667 -0.437 1.946 351GLN CG 4942 -0.485 -0.367 1.850 351GLN HG1 4943 -0.456 -0.311 1.758 351GLN HG2 4944 -0.446 -0.470 1.839 351GLN CD 4945 -0.417 -0.303 1.972 351GLN OE1 4946 -0.469 -0.286 2.080 351GLN NE2 4947 -0.287 -0.268 1.951 351GLN HE21 4948 -0.245 -0.291 1.863 351GLN HE22 4949 -0.233 -0.241 2.030 351GLN C 4950 -0.663 -0.138 1.776 351GLN O 4951 -0.574 -0.052 1.794 352PHE N 4952 -0.730 -0.147 1.661 352PHE HN 4953 -0.801 -0.218 1.652 352PHE CA 4954 -0.706 -0.071 1.541 352PHE HA 4955 -0.603 -0.088 1.513 352PHE CB 4956 -0.802 -0.121 1.430 352PHE HB1 4957 -0.906 -0.095 1.455 352PHE HB2 4958 -0.794 -0.231 1.416 352PHE CG 4959 -0.766 -0.056 1.301 352PHE CD1 4960 -0.639 -0.082 1.246 352PHE HD1 4961 -0.573 -0.153 1.293 352PHE CE1 4962 -0.596 -0.013 1.133 352PHE HE1 4963 -0.498 -0.032 1.093 352PHE CZ 4964 -0.680 0.080 1.072 352PHE HZ 4965 -0.647 0.131 0.984 352PHE CD2 4966 -0.851 0.037 1.238 352PHE HD2 4967 -0.948 0.057 1.280 352PHE CE2 4968 -0.808 0.105 1.124 352PHE HE2 4969 -0.873 0.177 1.076 352PHE C 4970 -0.722 0.079 1.564 352PHE O 4971 -0.646 0.163 1.512 353LYS N 4972 -0.818 0.118 1.648 353LYS HN 4973 -0.877 0.047 1.687 353LYS CA 4974 -0.853 0.255 1.681 353LYS HA 4975 -0.881 0.303 1.589 353LYS CB 4976 -0.974 0.252 1.777 353LYS HB1 4977 -0.949 0.190 1.865 353LYS HB2 4978 -1.057 0.202 1.722 353LYS CG 4979 -1.023 0.390 1.824 353LYS HG1 4980 -1.042 0.454 1.735 353LYS HG2 4981 -0.946 0.439 1.887 353LYS CD 4982 -1.152 0.375 1.906 353LYS HD1 4983 -1.127 0.315 1.997 353LYS HD2 4984 -1.225 0.317 1.845 353LYS CE 4985 -1.214 0.508 1.946 353LYS HE1 4986 -1.250 0.562 1.856 353LYS HE2 4987 -1.140 0.572 1.998 353LYS NZ 4988 -1.329 0.484 2.036 353LYS HZ1 4989 -1.298 0.443 2.127 353LYS HZ2 4990 -1.394 0.418 1.988 353LYS HZ3 4991 -1.378 0.574 2.052 353LYS C 4992 -0.738 0.335 1.741 353LYS O 4993 -0.729 0.458 1.726 354LYS N 4994 -0.646 0.267 1.811 354LYS HN 4995 -0.655 0.168 1.818 354LYS CA 4996 -0.521 0.323 1.860 354LYS HA 4997 -0.546 0.408 1.921 354LYS CB 4998 -0.444 0.219 1.944 354LYS HB1 4999 -0.351 0.266 1.984 354LYS HB2 5000 -0.414 0.135 1.878 354LYS CG 5001 -0.525 0.162 2.061 354LYS HG1 5002 -0.620 0.117 2.022 354LYS HG2 5003 -0.553 0.243 2.131 354LYS CD 5004 -0.448 0.051 2.134 354LYS HD1 5005 -0.354 0.094 2.175 354LYS HD2 5006 -0.420 -0.025 2.058 354LYS CE 5007 -0.529 -0.015 2.246 354LYS HE1 5008 -0.624 -0.055 2.205 354LYS HE2 5009 -0.551 0.059 2.326 354LYS NZ 5010 -0.453 -0.128 2.305 354LYS HZ1 5011 -0.355 -0.097 2.329 354LYS HZ2 5012 -0.445 -0.203 2.232 354LYS HZ3 5013 -0.499 -0.168 2.389 354LYS C 5014 -0.431 0.373 1.748 354LYS O 5015 -0.373 0.483 1.759 355ALA N 5016 -0.419 0.299 1.637 355ALA HN 5017 -0.472 0.214 1.625 355ALA CA 5018 -0.344 0.337 1.518 355ALA HA 5019 -0.242 0.359 1.548 355ALA CB 5020 -0.343 0.223 1.415 355ALA HB1 5021 -0.444 0.204 1.373 355ALA HB2 5022 -0.307 0.129 1.462 355ALA HB3 5023 -0.275 0.247 1.331 355ALA C 5024 -0.399 0.464 1.455 355ALA O 5025 -0.325 0.558 1.425 356THR N 5026 -0.532 0.474 1.442 356THR HN 5027 -0.591 0.396 1.466 356THR CA 5028 -0.598 0.590 1.383 356THR HA 5029 -0.539 0.620 1.297 356THR CB 5030 -0.740 0.561 1.335 356THR HB 5031 -0.789 0.654 1.297 356THR OG1 5032 -0.821 0.504 1.437 356THR HG1 5033 -0.818 0.563 1.513 356THR CG2 5034 -0.734 0.461 1.219 356THR HG21 5035 -0.690 0.364 1.252 356THR HG22 5036 -0.672 0.500 1.136 356THR HG23 5037 -0.836 0.440 1.180 356THR C 5038 -0.602 0.709 1.476 356THR O 5039 -0.626 0.823 1.433 357SER N 5040 -0.582 0.687 1.607 357SER HN 5041 -0.570 0.593 1.638 357SER CA 5042 -0.569 0.793 1.708 357SER HA 5043 -0.638 0.872 1.685 357SER CB 5044 -0.593 0.744 1.853 357SER HB1 5045 -0.582 0.829 1.924 357SER HB2 5046 -0.519 0.665 1.880 357SER OG 5047 -0.725 0.691 1.868 357SER HG1 5048 -0.729 0.610 1.814 357SER C 5049 -0.430 0.852 1.709 357SER O 5050 -0.409 0.966 1.755 358GLY N 5051 -0.330 0.776 1.661 358GLY HN 5052 -0.350 0.684 1.628 358GLY CA 5053 -0.194 0.822 1.638 358GLY HA1 5054 -0.130 0.736 1.643 358GLY HA2 5055 -0.169 0.899 1.710 358GLY C 5056 -0.176 0.884 1.502 358GLY O 5057 -0.272 0.931 1.439 359GLY N 5058 -0.051 0.888 1.455 359GLY HN 5059 0.025 0.854 1.509 359GLY CA 5060 -0.018 0.928 1.319 359GLY HA1 5061 0.078 0.978 1.322 359GLY HA2 5062 -0.096 0.989 1.277 359GLY C 5063 -0.000 0.806 1.234 359GLY O 5064 0.037 0.700 1.279 360MET N 5065 -0.029 0.824 1.104 360MET HN 5066 -0.065 0.910 1.069 360MET CA 5067 -0.005 0.723 1.004 360MET HA 5068 0.078 0.661 1.035 360MET CB 5069 -0.131 0.637 0.976 360MET HB1 5070 -0.100 0.554 0.908 360MET HB2 5071 -0.208 0.699 0.924 360MET CG 5072 -0.198 0.575 1.101 360MET HG1 5073 -0.233 0.658 1.166 360MET HG2 5074 -0.121 0.520 1.158 360MET SD 5075 -0.340 0.465 1.066 360MET CE 5076 -0.248 0.319 1.010 360MET HE1 5077 -0.182 0.279 1.090 360MET HE2 5078 -0.184 0.342 0.923 360MET HE3 5079 -0.317 0.237 0.980 360MET C 5080 0.037 0.797 0.879 360MET O 5081 -0.017 0.904 0.846 361VAL N 5082 0.136 0.742 0.807 361VAL HN 5083 0.174 0.654 0.836 361VAL CA 5084 0.196 0.800 0.689 361VAL HA 5085 0.188 0.908 0.694 361VAL CB 5086 0.343 0.762 0.678 361VAL HB 5087 0.354 0.651 0.686 361VAL CG1 5088 0.406 0.808 0.544 361VAL HG11 5089 0.388 0.916 0.527 361VAL HG12 5090 0.364 0.750 0.459 361VAL HG13 5091 0.516 0.789 0.546 361VAL CG2 5092 0.418 0.827 0.797 361VAL HG21 5093 0.382 0.788 0.894 361VAL HG22 5094 0.403 0.937 0.798 361VAL HG23 5095 0.527 0.806 0.791 361VAL C 5096 0.119 0.753 0.567 361VAL O 5097 0.093 0.634 0.550 362LEU N 5098 0.076 0.847 0.480 362LEU HN 5099 0.094 0.943 0.500 362LEU CA 5100 0.013 0.816 0.353 362LEU HA 5101 -0.067 0.746 0.372 362LEU CB 5102 -0.045 0.944 0.287 362LEU HB1 5103 0.038 1.017 0.275 362LEU HB2 5104 -0.119 0.989 0.357 362LEU CG 5105 -0.113 0.927 0.149 362LEU HG 5106 -0.039 0.884 0.077 362LEU CD1 5107 -0.233 0.832 0.154 362LEU HD11 5108 -0.310 0.869 0.225 362LEU HD12 5109 -0.203 0.730 0.185 362LEU HD13 5110 -0.279 0.824 0.053 362LEU CD2 5111 -0.158 1.062 0.093 362LEU HD21 5112 -0.071 1.129 0.079 362LEU HD22 5113 -0.231 1.110 0.162 362LEU HD23 5114 -0.207 1.047 -0.006 362LEU C 5115 0.108 0.749 0.255 362LEU O 5116 0.218 0.798 0.229 363VAL N 5117 0.063 0.637 0.196 363VAL HN 5118 -0.026 0.598 0.220 363VAL CA 5119 0.136 0.558 0.100 363VAL HA 5120 0.229 0.608 0.076 363VAL CB 5121 0.166 0.417 0.148 363VAL HB 5122 0.074 0.354 0.145 363VAL CG1 5123 0.274 0.353 0.058 363VAL HG11 5124 0.361 0.421 0.046 363VAL HG12 5125 0.233 0.328 -0.042 363VAL HG13 5126 0.310 0.259 0.104 363VAL CG2 5127 0.212 0.418 0.295 363VAL HG21 5128 0.128 0.446 0.362 363VAL HG22 5129 0.296 0.488 0.312 363VAL HG23 5130 0.245 0.316 0.324 363VAL C 5131 0.052 0.552 -0.025 363VAL O 5132 -0.072 0.545 -0.020 364MET N 5133 0.115 0.556 -0.143 364MET HN 5134 0.215 0.564 -0.145 364MET CA 5135 0.048 0.536 -0.270 364MET HA 5136 -0.042 0.478 -0.255 364MET CB 5137 0.015 0.669 -0.343 364MET HB1 5138 -0.020 0.646 -0.447 364MET HB2 5139 0.109 0.728 -0.351 364MET CG 5140 -0.095 0.751 -0.274 364MET HG1 5141 -0.073 0.758 -0.165 364MET HG2 5142 -0.190 0.693 -0.283 364MET SD 5143 -0.119 0.919 -0.338 364MET CE 5144 0.027 0.991 -0.257 364MET HE1 5145 0.120 0.942 -0.292 364MET HE2 5146 0.022 0.977 -0.147 364MET HE3 5147 0.036 1.099 -0.278 364MET C 5148 0.141 0.451 -0.355 364MET O 5149 0.261 0.475 -0.361 365SER N 5150 0.087 0.346 -0.419 365SER HN 5151 -0.011 0.324 -0.412 365SER CA 5152 0.170 0.248 -0.486 365SER HA 5153 0.260 0.296 -0.520 365SER CB 5154 0.210 0.128 -0.394 365SER HB1 5155 0.263 0.169 -0.305 365SER HB2 5156 0.281 0.060 -0.446 365SER OG 5157 0.097 0.053 -0.349 365SER HG1 5158 0.131 -0.019 -0.292 365SER C 5159 0.102 0.195 -0.609 365SER O 5160 -0.016 0.221 -0.637 366LEU N 5161 0.179 0.122 -0.690 366LEU HN 5162 0.275 0.108 -0.668 366LEU CA 5163 0.128 0.044 -0.800 366LEU HA 5164 0.026 0.015 -0.781 366LEU CB 5165 0.142 0.121 -0.934 366LEU HB1 5166 0.248 0.153 -0.947 366LEU HB2 5167 0.080 0.213 -0.926 366LEU CG 5168 0.099 0.044 -1.061 366LEU HG 5169 0.167 -0.044 -1.074 366LEU CD1 5170 -0.045 -0.009 -1.053 366LEU HD11 5171 -0.116 0.074 -1.036 366LEU HD12 5172 -0.056 -0.082 -0.970 366LEU HD13 5173 -0.072 -0.061 -1.147 366LEU CD2 5174 0.114 0.133 -1.185 366LEU HD21 5175 0.219 0.170 -1.194 366LEU HD22 5176 0.047 0.221 -1.178 366LEU HD23 5177 0.088 0.077 -1.277 366LEU C 5178 0.215 -0.079 -0.801 366LEU O 5179 0.336 -0.069 -0.791 367TRP N 5180 0.153 -0.199 -0.809 367TRP HN 5181 0.054 -0.208 -0.812 367TRP CA 5182 0.227 -0.322 -0.796 367TRP HA 5183 0.321 -0.313 -0.850 367TRP CB 5184 0.257 -0.356 -0.646 367TRP HB1 5185 0.318 -0.273 -0.604 367TRP HB2 5186 0.321 -0.447 -0.641 367TRP CG 5187 0.139 -0.376 -0.555 367TRP CD1 5188 0.055 -0.279 -0.506 367TRP HD1 5189 0.059 -0.174 -0.533 367TRP NE1 5190 -0.033 -0.334 -0.415 367TRP HE1 5191 -0.090 -0.288 -0.350 367TRP CE2 5192 -0.008 -0.468 -0.404 367TRP CD2 5193 0.100 -0.499 -0.489 367TRP CE3 5194 0.150 -0.629 -0.491 367TRP HE3 5195 0.235 -0.656 -0.551 367TRP CZ3 5196 0.090 -0.725 -0.409 367TRP HZ3 5197 0.128 -0.827 -0.407 367TRP CZ2 5198 -0.068 -0.563 -0.322 367TRP HZ2 5199 -0.147 -0.536 -0.254 367TRP CH2 5200 -0.017 -0.692 -0.326 367TRP HH2 5201 -0.059 -0.769 -0.261 367TRP C 5202 0.151 -0.434 -0.862 367TRP O 5203 0.030 -0.423 -0.889 368ASP N 5204 0.220 -0.544 -0.891 368ASP HN 5205 0.320 -0.551 -0.884 368ASP CA 5206 0.164 -0.672 -0.927 368ASP HA 5207 0.057 -0.668 -0.912 368ASP CB 5208 0.190 -0.710 -1.075 368ASP HB1 5209 0.148 -0.631 -1.140 368ASP HB2 5210 0.138 -0.805 -1.099 368ASP CG 5211 0.337 -0.726 -1.112 368ASP OD1 5212 0.425 -0.680 -1.040 368ASP OD2 5213 0.356 -0.783 -1.226 368ASP C 5214 0.219 -0.772 -0.825 368ASP O 5215 0.317 -0.751 -0.757 369ASP N 5216 0.144 -0.885 -0.810 369ASP HN 5217 0.068 -0.902 -0.871 369ASP CA 5218 0.164 -0.977 -0.701 369ASP HA 5219 0.225 -0.930 -0.624 369ASP CB 5220 0.027 -1.011 -0.639 369ASP HB1 5221 -0.038 -1.052 -0.719 369ASP HB2 5222 -0.020 -0.918 -0.601 369ASP CG 5223 0.023 -1.112 -0.526 369ASP OD1 5224 0.133 -1.168 -0.488 369ASP OD2 5225 -0.086 -1.148 -0.484 369ASP C 5226 0.242 -1.099 -0.747 369ASP O 5227 0.198 -1.177 -0.838 370TYR N 5228 0.355 -1.126 -0.685 370TYR HN 5229 0.378 -1.067 -0.606 370TYR CA 5230 0.446 -1.235 -0.715 370TYR HA 5231 0.429 -1.268 -0.817 370TYR CB 5232 0.593 -1.188 -0.698 370TYR HB1 5233 0.662 -1.272 -0.675 370TYR HB2 5234 0.600 -1.116 -0.614 370TYR CG 5235 0.645 -1.121 -0.823 370TYR CD1 5236 0.619 -0.986 -0.852 370TYR HD1 5237 0.553 -0.929 -0.788 370TYR CE1 5238 0.675 -0.924 -0.965 370TYR HE1 5239 0.652 -0.821 -0.987 370TYR CZ 5240 0.760 -0.997 -1.049 370TYR OH 5241 0.821 -0.934 -1.161 370TYR HH 5242 0.760 -0.867 -1.197 370TYR CD2 5243 0.728 -1.194 -0.911 370TYR HD2 5244 0.748 -1.298 -0.892 370TYR CE2 5245 0.785 -1.132 -1.023 370TYR HE2 5246 0.848 -1.189 -1.090 370TYR C 5247 0.422 -1.357 -0.629 370TYR O 5248 0.497 -1.456 -0.637 371TYR N 5249 0.318 -1.357 -0.544 371TYR HN 5250 0.259 -1.274 -0.535 371TYR CA 5251 0.293 -1.462 -0.447 371TYR HA 5252 0.363 -1.543 -0.462 371TYR CB 5253 0.308 -1.407 -0.303 371TYR HB1 5254 0.271 -1.480 -0.227 371TYR HB2 5255 0.251 -1.312 -0.291 371TYR CG 5256 0.454 -1.381 -0.275 371TYR CD1 5257 0.513 -1.260 -0.313 371TYR HD1 5258 0.453 -1.186 -0.363 371TYR CE1 5259 0.649 -1.236 -0.290 371TYR HE1 5260 0.693 -1.142 -0.320 371TYR CZ 5261 0.727 -1.334 -0.229 371TYR OH 5262 0.864 -1.309 -0.208 371TYR HH 5263 0.901 -1.383 -0.161 371TYR CD2 5264 0.533 -1.479 -0.213 371TYR HD2 5265 0.487 -1.572 -0.185 371TYR CE2 5266 0.669 -1.456 -0.190 371TYR HE2 5267 0.729 -1.531 -0.142 371TYR C 5268 0.157 -1.525 -0.460 371TYR O 5269 0.145 -1.648 -0.442 372ALA N 5270 0.052 -1.448 -0.489 372ALA HN 5271 0.062 -1.346 -0.488 372ALA CA 5272 -0.081 -1.502 -0.507 372ALA HA 5273 -0.077 -1.610 -0.515 372ALA CB 5274 -0.168 -1.462 -0.386 372ALA HB1 5275 -0.171 -1.352 -0.377 372ALA HB2 5276 -0.122 -1.502 -0.294 372ALA HB3 5277 -0.271 -1.502 -0.396 372ALA C 5278 -0.146 -1.454 -0.635 372ALA O 5279 -0.258 -1.498 -0.668 373ASN N 5280 -0.082 -1.364 -0.711 373ASN HN 5281 0.001 -1.322 -0.673 373ASN CA 5282 -0.120 -1.321 -0.845 373ASN HA 5283 -0.040 -1.257 -0.880 373ASN CB 5284 -0.134 -1.439 -0.945 373ASN HB1 5285 -0.159 -1.401 -1.046 373ASN HB2 5286 -0.216 -1.507 -0.915 373ASN CG 5287 -0.007 -1.523 -0.956 373ASN OD1 5288 -0.012 -1.647 -0.973 373ASN ND2 5289 0.112 -1.461 -0.942 373ASN HD21 5290 0.115 -1.362 -0.923 373ASN HD22 5291 0.195 -1.515 -0.944 373ASN C 5292 -0.240 -1.227 -0.844 373ASN O 5293 -0.303 -1.204 -0.948 374MET N 5294 -0.273 -1.170 -0.727 374MET HN 5295 -0.215 -1.188 -0.646 374MET CA 5296 -0.376 -1.070 -0.704 374MET HA 5297 -0.360 -1.033 -0.604 374MET CB 5298 -0.366 -0.949 -0.802 374MET HB1 5299 -0.433 -0.965 -0.889 374MET HB2 5300 -0.262 -0.944 -0.841 374MET CG 5301 -0.400 -0.814 -0.735 374MET HG1 5302 -0.500 -0.824 -0.688 374MET HG2 5303 -0.409 -0.737 -0.814 374MET SD 5304 -0.279 -0.761 -0.610 374MET CE 5305 -0.152 -0.706 -0.728 374MET HE1 5306 -0.191 -0.628 -0.796 374MET HE2 5307 -0.115 -0.790 -0.790 374MET HE3 5308 -0.064 -0.662 -0.674 374MET C 5309 -0.515 -1.132 -0.705 374MET O 5310 -0.618 -1.066 -0.703 375LEU N 5311 -0.521 -1.267 -0.697 375LEU HN 5312 -0.436 -1.319 -0.695 375LEU CA 5313 -0.644 -1.342 -0.714 375LEU HA 5314 -0.697 -1.303 -0.800 375LEU CB 5315 -0.611 -1.492 -0.734 375LEU HB1 5316 -0.704 -1.553 -0.741 375LEU HB2 5317 -0.553 -1.526 -0.645 375LEU CG 5318 -0.524 -1.524 -0.858 375LEU HG 5319 -0.432 -1.460 -0.854 375LEU CD1 5320 -0.478 -1.671 -0.856 375LEU HD11 5321 -0.566 -1.738 -0.864 375LEU HD12 5322 -0.423 -1.693 -0.762 375LEU HD13 5323 -0.411 -1.690 -0.942 375LEU CD2 5324 -0.595 -1.493 -0.991 375LEU HD21 5325 -0.622 -1.385 -0.996 375LEU HD22 5326 -0.687 -1.554 -1.001 375LEU HD23 5327 -0.527 -1.516 -1.076 375LEU C 5328 -0.735 -1.327 -0.594 375LEU O 5329 -0.857 -1.349 -0.600 376TRP N 5330 -0.679 -1.283 -0.480 376TRP HN 5331 -0.582 -1.259 -0.481 376TRP CA 5332 -0.749 -1.254 -0.357 376TRP HA 5333 -0.818 -1.334 -0.338 376TRP CB 5334 -0.650 -1.245 -0.238 376TRP HB1 5335 -0.607 -1.346 -0.223 376TRP HB2 5336 -0.705 -1.219 -0.145 376TRP CG 5337 -0.537 -1.148 -0.257 376TRP CD1 5338 -0.413 -1.177 -0.308 376TRP HD1 5339 -0.379 -1.277 -0.334 376TRP NE1 5340 -0.340 -1.062 -0.323 376TRP HE1 5341 -0.249 -1.055 -0.361 376TRP CE2 5342 -0.416 -0.956 -0.280 376TRP CD2 5343 -0.540 -1.006 -0.236 376TRP CE3 5344 -0.637 -0.918 -0.186 376TRP HE3 5345 -0.732 -0.953 -0.147 376TRP CZ3 5346 -0.609 -0.781 -0.186 376TRP HZ3 5347 -0.683 -0.711 -0.149 376TRP CZ2 5348 -0.388 -0.820 -0.279 376TRP HZ2 5349 -0.294 -0.781 -0.315 376TRP CH2 5350 -0.488 -0.734 -0.235 376TRP HH2 5351 -0.472 -0.627 -0.240 376TRP C 5352 -0.832 -1.126 -0.369 376TRP O 5353 -0.929 -1.110 -0.295 377LEU N 5354 -0.799 -1.038 -0.466 377LEU HN 5355 -0.722 -1.057 -0.527 377LEU CA 5356 -0.867 -0.913 -0.489 377LEU HA 5357 -0.915 -0.880 -0.398 377LEU CB 5358 -0.766 -0.806 -0.537 377LEU HB1 5359 -0.713 -0.843 -0.628 377LEU HB2 5360 -0.689 -0.793 -0.458 377LEU CG 5361 -0.824 -0.666 -0.572 377LEU HG 5362 -0.895 -0.677 -0.657 377LEU CD1 5363 -0.901 -0.604 -0.454 377LEU HD11 5364 -0.834 -0.592 -0.366 377LEU HD12 5365 -0.987 -0.667 -0.425 377LEU HD13 5366 -0.939 -0.503 -0.482 377LEU CD2 5367 -0.712 -0.571 -0.618 377LEU HD21 5368 -0.658 -0.613 -0.706 377LEU HD22 5369 -0.639 -0.554 -0.536 377LEU HD23 5370 -0.755 -0.473 -0.647 377LEU C 5371 -0.974 -0.931 -0.596 377LEU O 5372 -1.088 -0.889 -0.579 378ASP N 5373 -0.937 -0.992 -0.711 378ASP HN 5374 -0.845 -1.029 -0.723 378ASP CA 5375 -1.015 -0.979 -0.833 378ASP HA 5376 -1.106 -0.925 -0.812 378ASP CB 5377 -0.931 -0.895 -0.934 378ASP HB1 5378 -0.900 -0.802 -0.882 378ASP HB2 5379 -0.996 -0.866 -1.019 378ASP CG 5380 -0.805 -0.958 -0.992 378ASP OD1 5381 -0.788 -1.084 -0.977 378ASP OD2 5382 -0.730 -0.885 -1.058 378ASP C 5383 -1.061 -1.112 -0.890 378ASP O 5384 -1.125 -1.116 -0.999 379SER N 5385 -1.041 -1.225 -0.822 379SER HN 5386 -0.995 -1.222 -0.733 379SER CA 5387 -1.065 -1.355 -0.881 379SER HA 5388 -1.140 -1.347 -0.959 379SER CB 5389 -0.936 -1.416 -0.942 379SER HB1 5390 -0.865 -1.444 -0.861 379SER HB2 5391 -0.885 -1.338 -1.003 379SER OG 5392 -0.963 -1.530 -1.025 379SER HG1 5393 -1.006 -1.496 -1.106 379SER C 5394 -1.125 -1.446 -0.774 379SER O 5395 -1.164 -1.408 -0.668 380THR N 5396 -1.137 -1.577 -0.811 380THR HN 5397 -1.099 -1.602 -0.899 380THR CA 5398 -1.172 -1.681 -0.715 380THR HA 5399 -1.237 -1.639 -0.640 380THR CB 5400 -1.242 -1.800 -0.779 380THR HB 5401 -1.172 -1.856 -0.845 380THR OG1 5402 -1.349 -1.755 -0.861 380THR HG1 5403 -1.318 -1.672 -0.900 380THR CG2 5404 -1.299 -1.894 -0.672 380THR HG21 5405 -1.365 -1.839 -0.602 380THR HG22 5406 -1.217 -1.940 -0.612 380THR HG23 5407 -1.357 -1.976 -0.718 380THR C 5408 -1.046 -1.728 -0.647 380THR O 5409 -0.950 -1.772 -0.715 381TYR N 5410 -1.039 -1.720 -0.515 381TYR HN 5411 -1.119 -1.688 -0.462 381TYR CA 5412 -0.921 -1.751 -0.439 381TYR HA 5413 -0.859 -1.817 -0.497 381TYR CB 5414 -0.839 -1.623 -0.409 381TYR HB1 5415 -0.896 -1.554 -0.344 381TYR HB2 5416 -0.820 -1.572 -0.505 381TYR CG 5417 -0.705 -1.653 -0.346 381TYR CD1 5418 -0.599 -1.696 -0.427 381TYR HD1 5419 -0.614 -1.709 -0.533 381TYR CE1 5420 -0.472 -1.720 -0.372 381TYR HE1 5421 -0.390 -1.749 -0.437 381TYR CZ 5422 -0.451 -1.704 -0.235 381TYR OH 5423 -0.324 -1.731 -0.180 381TYR HH 5424 -0.264 -1.745 -0.253 381TYR CD2 5425 -0.683 -1.636 -0.208 381TYR HD2 5426 -0.763 -1.602 -0.145 381TYR CE2 5427 -0.557 -1.664 -0.153 381TYR HE2 5428 -0.543 -1.653 -0.047 381TYR C 5429 -0.965 -1.816 -0.307 381TYR O 5430 -1.054 -1.768 -0.243 382PRO N 5431 -0.900 -1.926 -0.265 382PRO CD 5432 -0.922 -1.969 -0.126 382PRO HD1 5433 -1.025 -2.009 -0.119 382PRO HD2 5434 -0.908 -1.884 -0.055 382PRO CA 5435 -0.825 -2.025 -0.340 382PRO HA 5436 -0.730 -1.978 -0.364 382PRO CB 5437 -0.808 -2.143 -0.243 382PRO HB1 5438 -0.713 -2.197 -0.259 382PRO HB2 5439 -0.892 -2.215 -0.255 382PRO CG 5440 -0.818 -2.079 -0.105 382PRO HG1 5441 -0.850 -2.150 -0.026 382PRO HG2 5442 -0.722 -2.032 -0.076 382PRO C 5443 -0.881 -2.068 -0.474 382PRO O 5444 -1.003 -2.063 -0.495 383THR N 5445 -0.796 -2.108 -0.568 383THR HN 5446 -0.698 -2.120 -0.551 383THR CA 5447 -0.832 -2.134 -0.707 383THR HA 5448 -0.899 -2.055 -0.740 383THR CB 5449 -0.710 -2.134 -0.797 383THR HB 5450 -0.735 -2.167 -0.901 383THR OG1 5451 -0.608 -2.217 -0.741 383THR HG1 5452 -0.540 -2.231 -0.808 383THR CG2 5453 -0.654 -1.992 -0.802 383THR HG21 5454 -0.619 -1.959 -0.701 383THR HG22 5455 -0.731 -1.920 -0.836 383THR HG23 5456 -0.567 -1.985 -0.870 383THR C 5457 -0.907 -2.264 -0.726 383THR O 5458 -0.971 -2.286 -0.829 384ASN N 5459 -0.904 -2.352 -0.624 384ASN HN 5460 -0.849 -2.333 -0.543 384ASN CA 5461 -0.975 -2.478 -0.624 384ASN HA 5462 -0.993 -2.509 -0.726 384ASN CB 5463 -0.892 -2.588 -0.552 384ASN HB1 5464 -0.794 -2.597 -0.604 384ASN HB2 5465 -0.944 -2.686 -0.561 384ASN CG 5466 -0.865 -2.558 -0.405 384ASN OD1 5467 -0.793 -2.458 -0.374 384ASN ND2 5468 -0.916 -2.637 -0.313 384ASN HD21 5469 -0.904 -2.613 -0.216 384ASN HD22 5470 -0.975 -2.714 -0.339 384ASN C 5471 -1.111 -2.463 -0.559 384ASN O 5472 -1.189 -2.560 -0.558 385GLU N 5473 -1.147 -2.344 -0.508 385GLU HN 5474 -1.087 -2.264 -0.514 385GLU CA 5475 -1.278 -2.318 -0.453 385GLU HA 5476 -1.312 -2.409 -0.405 385GLU CB 5477 -1.280 -2.207 -0.345 385GLU HB1 5478 -1.384 -2.184 -0.315 385GLU HB2 5479 -1.237 -2.114 -0.389 385GLU CG 5480 -1.202 -2.244 -0.216 385GLU HG1 5481 -1.195 -2.154 -0.152 385GLU HG2 5482 -1.100 -2.277 -0.241 385GLU CD 5483 -1.268 -2.352 -0.130 385GLU OE1 5484 -1.383 -2.395 -0.166 385GLU OE2 5485 -1.210 -2.387 -0.025 385GLU C 5486 -1.380 -2.289 -0.559 385GLU O 5487 -1.349 -2.254 -0.677 386THR N 5488 -1.507 -2.302 -0.525 386THR HN 5489 -1.526 -2.324 -0.429 386THR CA 5490 -1.620 -2.286 -0.615 386THR HA 5491 -1.584 -2.274 -0.716 386THR CB 5492 -1.718 -2.403 -0.612 386THR HB 5493 -1.794 -2.391 -0.692 386THR OG1 5494 -1.787 -2.414 -0.487 386THR HG1 5495 -1.718 -2.406 -0.419 386THR CG2 5496 -1.642 -2.533 -0.640 386THR HG21 5497 -1.569 -2.556 -0.560 386THR HG22 5498 -1.586 -2.524 -0.736 386THR HG23 5499 -1.712 -2.619 -0.649 386THR C 5500 -1.692 -2.157 -0.576 386THR O 5501 -1.666 -2.094 -0.480 387SER N 5502 -1.796 -2.121 -0.659 387SER HN 5503 -1.816 -2.168 -0.742 387SER CA 5504 -1.879 -2.007 -0.627 387SER HA 5505 -1.817 -1.927 -0.588 387SER CB 5506 -1.952 -1.957 -0.754 387SER HB1 5507 -1.873 -1.925 -0.827 387SER HB2 5508 -2.014 -1.867 -0.732 387SER OG 5509 -2.031 -2.060 -0.816 387SER HG1 5510 -2.089 -2.099 -0.750 387SER C 5511 -1.985 -2.035 -0.522 387SER O 5512 -2.057 -1.948 -0.479 388SER N 5513 -1.998 -2.165 -0.481 388SER HN 5514 -1.939 -2.236 -0.517 388SER CA 5515 -2.087 -2.201 -0.371 388SER HA 5516 -2.172 -2.135 -0.373 388SER CB 5517 -2.144 -2.346 -0.384 388SER HB1 5518 -2.191 -2.357 -0.484 388SER HB2 5519 -2.224 -2.358 -0.307 388SER OG 5520 -2.048 -2.450 -0.364 388SER HG1 5521 -1.974 -2.439 -0.426 388SER C 5522 -2.021 -2.183 -0.235 388SER O 5523 -2.086 -2.177 -0.134 389THR N 5524 -1.886 -2.171 -0.236 389THR HN 5525 -1.834 -2.173 -0.320 389THR CA 5526 -1.806 -2.150 -0.116 389THR HA 5527 -1.845 -2.216 -0.040 389THR CB 5528 -1.659 -2.187 -0.136 389THR HB 5529 -1.612 -2.119 -0.209 389THR OG1 5530 -1.643 -2.320 -0.187 389THR HG1 5531 -1.549 -2.344 -0.172 389THR CG2 5532 -1.584 -2.181 -0.002 389THR HG21 5533 -1.633 -2.245 0.075 389THR HG22 5534 -1.580 -2.077 0.037 389THR HG23 5535 -1.479 -2.216 -0.013 389THR C 5536 -1.815 -2.003 -0.071 389THR O 5537 -1.782 -1.916 -0.153 390PRO N 5538 -1.859 -1.967 0.050 390PRO CD 5539 -1.912 -2.059 0.151 390PRO HD1 5540 -1.826 -2.103 0.206 390PRO HD2 5541 -1.975 -2.138 0.106 390PRO CA 5542 -1.873 -1.827 0.093 390PRO HA 5543 -1.947 -1.782 0.030 390PRO CB 5544 -1.920 -1.837 0.239 390PRO HB1 5545 -1.982 -1.750 0.269 390PRO HB2 5546 -1.833 -1.844 0.308 390PRO CG 5547 -1.996 -1.970 0.243 390PRO HG1 5548 -2.004 -2.011 0.346 390PRO HG2 5549 -2.097 -1.958 0.199 390PRO C 5550 -1.748 -1.742 0.081 390PRO O 5551 -1.645 -1.774 0.140 391GLY N 5552 -1.753 -1.631 0.004 391GLY HN 5553 -1.837 -1.609 -0.045 391GLY CA 5554 -1.645 -1.533 -0.003 391GLY HA1 5555 -1.612 -1.511 0.097 391GLY HA2 5556 -1.683 -1.446 -0.053 391GLY C 5557 -1.523 -1.579 -0.080 391GLY O 5558 -1.420 -1.512 -0.080 392ALA N 5559 -1.533 -1.695 -0.149 392ALA HN 5560 -1.614 -1.752 -0.139 392ALA CA 5561 -1.428 -1.747 -0.236 392ALA HA 5562 -1.336 -1.748 -0.180 392ALA CB 5563 -1.460 -1.891 -0.280 392ALA HB1 5564 -1.556 -1.896 -0.336 392ALA HB2 5565 -1.468 -1.957 -0.191 392ALA HB3 5566 -1.380 -1.930 -0.345 392ALA C 5567 -1.406 -1.662 -0.358 392ALA O 5568 -1.292 -1.641 -0.403 393VAL N 5569 -1.514 -1.609 -0.416 393VAL HN 5570 -1.604 -1.625 -0.374 393VAL CA 5571 -1.511 -1.528 -0.536 393VAL HA 5572 -1.423 -1.552 -0.593 393VAL CB 5573 -1.634 -1.551 -0.623 393VAL HB 5574 -1.726 -1.518 -0.571 393VAL CG1 5575 -1.618 -1.474 -0.756 393VAL HG11 5576 -1.526 -1.507 -0.809 393VAL HG12 5577 -1.611 -1.364 -0.739 393VAL HG13 5578 -1.705 -1.493 -0.822 393VAL CG2 5579 -1.651 -1.702 -0.651 393VAL HG21 5580 -1.671 -1.758 -0.558 393VAL HG22 5581 -1.558 -1.743 -0.698 393VAL HG23 5582 -1.735 -1.719 -0.721 393VAL C 5583 -1.506 -1.382 -0.494 393VAL O 5584 -1.591 -1.334 -0.425 394ARG N 5585 -1.399 -1.310 -0.540 394ARG HN 5586 -1.326 -1.351 -0.592 394ARG CA 5587 -1.381 -1.170 -0.505 394ARG HA 5588 -1.461 -1.135 -0.441 394ARG CB 5589 -1.245 -1.150 -0.433 394ARG HB1 5590 -1.239 -1.043 -0.400 394ARG HB2 5591 -1.161 -1.166 -0.504 394ARG CG 5592 -1.223 -1.239 -0.309 394ARG HG1 5593 -1.321 -1.270 -0.267 394ARG HG2 5594 -1.173 -1.177 -0.231 394ARG CD 5595 -1.135 -1.362 -0.336 394ARG HD1 5596 -1.033 -1.333 -0.370 394ARG HD2 5597 -1.181 -1.423 -0.418 394ARG NE 5598 -1.129 -1.449 -0.216 394ARG HE 5599 -1.177 -1.534 -0.214 394ARG CZ 5600 -1.047 -1.425 -0.106 394ARG NH1 5601 -0.975 -1.322 -0.094 394ARG HH11 5602 -0.984 -1.242 -0.155 394ARG HH12 5603 -0.932 -1.301 -0.003 394ARG NH2 5604 -1.044 -1.520 -0.015 394ARG HH21 5605 -1.088 -1.606 -0.029 394ARG HH22 5606 -0.977 -1.507 0.061 394ARG C 5607 -1.385 -1.081 -0.630 394ARG O 5608 -1.378 -0.961 -0.625 395GLY N 5609 -1.401 -1.144 -0.749 395GLY HN 5610 -1.407 -1.242 -0.756 395GLY CA 5611 -1.411 -1.067 -0.872 395GLY HA1 5612 -1.318 -1.016 -0.889 395GLY HA2 5613 -1.495 -0.999 -0.865 395GLY C 5614 -1.437 -1.156 -0.989 395GLY O 5615 -1.471 -1.276 -0.973 396SER N 5616 -1.426 -1.103 -1.110 396SER HN 5617 -1.397 -1.007 -1.120 396SER CA 5618 -1.461 -1.173 -1.233 396SER HA 5619 -1.515 -1.264 -1.208 396SER CB 5620 -1.553 -1.087 -1.324 396SER HB1 5621 -1.643 -1.060 -1.263 396SER HB2 5622 -1.587 -1.145 -1.412 396SER OG 5623 -1.492 -0.965 -1.367 396SER HG1 5624 -1.412 -0.989 -1.416 396SER C 5625 -1.340 -1.215 -1.312 396SER O 5626 -1.356 -1.277 -1.420 397CYS N 5627 -1.218 -1.186 -1.268 397CYS HN 5628 -1.204 -1.140 -1.179 397CYS CA 5629 -1.096 -1.230 -1.333 397CYS HA 5630 -1.105 -1.201 -1.437 397CYS CB 5631 -0.968 -1.163 -1.277 397CYS HB1 5632 -0.878 -1.201 -1.329 397CYS HB2 5633 -0.956 -1.189 -1.169 397CYS SG 5634 -0.972 -0.982 -1.294 397CYS C 5635 -1.076 -1.380 -1.331 397CYS O 5636 -1.115 -1.451 -1.238 398SER N 5637 -1.012 -1.433 -1.436 398SER HN 5638 -0.979 -1.372 -1.507 398SER CA 5639 -0.975 -1.574 -1.445 398SER HA 5640 -1.064 -1.633 -1.433 398SER CB 5641 -0.908 -1.608 -1.582 398SER HB1 5642 -0.811 -1.554 -1.589 398SER HB2 5643 -0.976 -1.567 -1.661 398SER OG 5644 -0.890 -1.749 -1.602 398SER HG1 5645 -0.810 -1.765 -1.655 398SER C 5646 -0.875 -1.613 -1.337 398SER O 5647 -0.788 -1.538 -1.301 399THR N 5648 -0.883 -1.740 -1.291 399THR HN 5649 -0.955 -1.802 -1.321 399THR CA 5650 -0.791 -1.796 -1.192 399THR HA 5651 -0.783 -1.725 -1.110 399THR CB 5652 -0.839 -1.929 -1.137 399THR HB 5653 -0.760 -1.979 -1.075 399THR OG1 5654 -0.882 -2.017 -1.241 399THR HG1 5655 -0.910 -2.097 -1.194 399THR CG2 5656 -0.959 -1.903 -1.045 399THR HG21 5657 -1.042 -1.855 -1.101 399THR HG22 5658 -0.929 -1.833 -0.964 399THR HG23 5659 -0.996 -1.996 -0.998 399THR C 5660 -0.650 -1.817 -1.244 399THR O 5661 -0.558 -1.849 -1.172 400SER N 5662 -0.635 -1.801 -1.378 400SER HN 5663 -0.715 -1.780 -1.431 400SER CA 5664 -0.508 -1.812 -1.448 400SER HA 5665 -0.437 -1.866 -1.387 400SER CB 5666 -0.531 -1.886 -1.583 400SER HB1 5667 -0.585 -1.981 -1.562 400SER HB2 5668 -0.432 -1.912 -1.627 400SER OG 5669 -0.607 -1.808 -1.678 400SER HG1 5670 -0.541 -1.745 -1.711 400SER C 5671 -0.450 -1.676 -1.479 400SER O 5672 -0.355 -1.665 -1.557 401SER N 5673 -0.509 -1.567 -1.428 401SER HN 5674 -0.582 -1.576 -1.360 401SER CA 5675 -0.464 -1.431 -1.456 401SER HA 5676 -0.414 -1.431 -1.552 401SER CB 5677 -0.580 -1.328 -1.467 401SER HB1 5678 -0.655 -1.365 -1.539 401SER HB2 5679 -0.541 -1.231 -1.504 401SER OG 5680 -0.646 -1.302 -1.343 401SER HG1 5681 -0.679 -1.385 -1.303 401SER C 5682 -0.361 -1.384 -1.355 401SER O 5683 -0.338 -1.446 -1.253 402GLY N 5684 -0.294 -1.271 -1.388 402GLY HN 5685 -0.308 -1.226 -1.475 402GLY CA 5686 -0.213 -1.198 -1.291 402GLY HA1 5687 -0.264 -1.196 -1.195 402GLY HA2 5688 -0.197 -1.100 -1.331 402GLY C 5689 -0.076 -1.254 -1.267 402GLY O 5690 -0.012 -1.225 -1.168 403VAL N 5691 -0.027 -1.337 -1.361 403VAL HN 5692 -0.085 -1.365 -1.436 403VAL CA 5693 0.110 -1.385 -1.361 403VAL HA 5694 0.131 -1.424 -1.263 403VAL CB 5695 0.129 -1.500 -1.460 403VAL HB 5696 0.096 -1.467 -1.562 403VAL CG1 5697 0.278 -1.542 -1.469 403VAL HG11 5698 0.316 -1.569 -1.368 403VAL HG12 5699 0.341 -1.462 -1.512 403VAL HG13 5700 0.287 -1.631 -1.535 403VAL CG2 5701 0.041 -1.619 -1.417 403VAL HG21 5702 -0.067 -1.592 -1.417 403VAL HG22 5703 0.068 -1.651 -1.314 403VAL HG23 5704 0.056 -1.704 -1.486 403VAL C 5705 0.205 -1.270 -1.395 403VAL O 5706 0.192 -1.220 -1.509 404PRO N 5707 0.296 -1.223 -1.309 404PRO CD 5708 0.319 -1.280 -1.175 404PRO HD1 5709 0.373 -1.376 -1.183 404PRO HD2 5710 0.223 -1.294 -1.120 404PRO CA 5711 0.377 -1.103 -1.328 404PRO HA 5712 0.311 -1.018 -1.314 404PRO CB 5713 0.480 -1.108 -1.216 404PRO HB1 5714 0.513 -1.005 -1.188 404PRO HB2 5715 0.569 -1.169 -1.242 404PRO CG 5716 0.403 -1.176 -1.102 404PRO HG1 5717 0.470 -1.220 -1.026 404PRO HG2 5718 0.337 -1.100 -1.054 404PRO C 5719 0.438 -1.083 -1.465 404PRO O 5720 0.410 -0.985 -1.533 405ALA N 5721 0.514 -1.183 -1.513 405ALA HN 5722 0.533 -1.261 -1.453 405ALA CA 5723 0.583 -1.176 -1.640 405ALA HA 5724 0.649 -1.090 -1.634 405ALA CB 5725 0.663 -1.306 -1.664 405ALA HB1 5726 0.596 -1.394 -1.664 405ALA HB2 5727 0.738 -1.319 -1.582 405ALA HB3 5728 0.716 -1.302 -1.760 405ALA C 5729 0.489 -1.154 -1.757 405ALA O 5730 0.520 -1.079 -1.852 406GLN N 5731 0.373 -1.222 -1.756 406GLN HN 5732 0.350 -1.276 -1.675 406GLN CA 5733 0.269 -1.206 -1.854 406GLN HA 5734 0.315 -1.214 -1.951 406GLN CB 5735 0.163 -1.318 -1.842 406GLN HB1 5736 0.115 -1.314 -1.742 406GLN HB2 5737 0.218 -1.415 -1.848 406GLN CG 5738 0.054 -1.312 -1.952 406GLN HG1 5739 0.104 -1.303 -2.051 406GLN HG2 5740 -0.012 -1.224 -1.936 406GLN CD 5741 -0.033 -1.438 -1.951 406GLN OE1 5742 -0.049 -1.509 -1.853 406GLN NE2 5743 -0.095 -1.469 -2.069 406GLN HE21 5744 -0.075 -1.412 -2.151 406GLN HE22 5745 -0.143 -1.554 -2.072 406GLN C 5746 0.201 -1.069 -1.851 406GLN O 5747 0.184 -1.007 -1.957 407VAL N 5748 0.163 -1.017 -1.733 407VAL HN 5749 0.184 -1.064 -1.646 407VAL CA 5750 0.095 -0.888 -1.721 407VAL HA 5751 0.021 -0.886 -1.799 407VAL CB 5752 0.018 -0.867 -1.591 407VAL HB 5753 -0.031 -0.766 -1.594 407VAL CG1 5754 -0.092 -0.974 -1.580 407VAL HG11 5755 -0.047 -1.074 -1.563 407VAL HG12 5756 -0.154 -0.978 -1.671 407VAL HG13 5757 -0.157 -0.951 -1.493 407VAL CG2 5758 0.109 -0.868 -1.467 407VAL HG21 5759 0.190 -0.793 -1.472 407VAL HG22 5760 0.155 -0.968 -1.453 407VAL HG23 5761 0.050 -0.846 -1.375 407VAL C 5762 0.186 -0.771 -1.754 407VAL O 5763 0.146 -0.677 -1.823 408GLU N 5764 0.314 -0.776 -1.713 408GLU HN 5765 0.345 -0.850 -1.651 408GLU CA 5766 0.415 -0.679 -1.750 408GLU HA 5767 0.383 -0.581 -1.716 408GLU CB 5768 0.548 -0.716 -1.683 408GLU HB1 5769 0.633 -0.660 -1.728 408GLU HB2 5770 0.563 -0.825 -1.704 408GLU CG 5771 0.556 -0.693 -1.530 408GLU HG1 5772 0.462 -0.724 -1.479 408GLU HG2 5773 0.572 -0.586 -1.507 408GLU CD 5774 0.671 -0.775 -1.469 408GLU OE1 5775 0.738 -0.844 -1.552 408GLU OE2 5776 0.704 -0.766 -1.350 408GLU C 5777 0.438 -0.671 -1.900 408GLU O 5778 0.454 -0.564 -1.960 409SER N 5779 0.443 -0.788 -1.967 409SER HN 5780 0.432 -0.873 -1.914 409SER CA 5781 0.460 -0.798 -2.110 409SER HA 5782 0.540 -0.731 -2.138 409SER CB 5783 0.499 -0.942 -2.151 409SER HB1 5784 0.414 -1.012 -2.129 409SER HB2 5785 0.584 -0.974 -2.086 409SER OG 5786 0.539 -0.952 -2.287 409SER HG1 5787 0.460 -0.938 -2.342 409SER C 5788 0.340 -0.754 -2.192 409SER O 5789 0.353 -0.696 -2.299 410GLN N 5790 0.218 -0.785 -2.143 410GLN HN 5791 0.208 -0.832 -2.056 410GLN CA 5792 0.096 -0.760 -2.219 410GLN HA 5793 0.118 -0.763 -2.325 410GLN CB 5794 -0.008 -0.870 -2.188 410GLN HB1 5795 -0.108 -0.839 -2.227 410GLN HB2 5796 -0.016 -0.879 -2.077 410GLN CG 5797 0.027 -1.008 -2.251 410GLN HG1 5798 0.124 -1.043 -2.211 410GLN HG2 5799 0.035 -0.996 -2.361 410GLN CD 5800 -0.077 -1.115 -2.223 410GLN OE1 5801 -0.078 -1.225 -2.284 410GLN NE2 5802 -0.173 -1.092 -2.132 410GLN HE21 5803 -0.230 -1.163 -2.099 410GLN HE22 5804 -0.173 -0.998 -2.088 410GLN C 5805 0.033 -0.625 -2.193 410GLN O 5806 -0.043 -0.574 -2.276 411SER N 5807 0.066 -0.561 -2.080 411SER HN 5808 0.125 -0.605 -2.010 411SER CA 5809 0.011 -0.432 -2.044 411SER HA 5810 -0.018 -0.380 -2.134 411SER CB 5811 -0.116 -0.445 -1.955 411SER HB1 5812 -0.153 -0.346 -1.923 411SER HB2 5813 -0.090 -0.503 -1.863 411SER OG 5814 -0.221 -0.513 -2.025 411SER HG1 5815 -0.252 -0.456 -2.096 411SER C 5816 0.114 -0.342 -1.977 411SER O 5817 0.089 -0.296 -1.866 412PRO N 5818 0.227 -0.307 -2.039 412PRO CD 5819 0.263 -0.342 -2.177 412PRO HD1 5820 0.179 -0.321 -2.247 412PRO HD2 5821 0.292 -0.449 -2.181 412PRO CA 5822 0.331 -0.227 -1.974 412PRO HA 5823 0.352 -0.266 -1.875 412PRO CB 5824 0.450 -0.237 -2.071 412PRO HB1 5825 0.508 -0.329 -2.045 412PRO HB2 5826 0.519 -0.150 -2.066 412PRO CG 5827 0.386 -0.256 -2.209 412PRO HG1 5828 0.353 -0.157 -2.249 412PRO HG2 5829 0.452 -0.306 -2.283 412PRO C 5830 0.289 -0.082 -1.958 412PRO O 5831 0.346 -0.012 -1.875 413ASN N 5832 0.193 -0.036 -2.039 413ASN HN 5833 0.151 -0.099 -2.104 413ASN CA 5834 0.148 0.102 -2.043 413ASN HA 5835 0.227 0.166 -2.004 413ASN CB 5836 0.112 0.144 -2.188 413ASN HB1 5837 0.083 0.251 -2.192 413ASN HB2 5838 0.027 0.083 -2.227 413ASN CG 5839 0.230 0.122 -2.283 413ASN OD1 5840 0.224 0.042 -2.376 413ASN ND2 5841 0.343 0.192 -2.258 413ASN HD21 5842 0.422 0.176 -2.316 413ASN HD22 5843 0.354 0.244 -2.172 413ASN C 5844 0.028 0.122 -1.952 413ASN O 5845 -0.038 0.225 -1.956 414ALA N 5846 -0.002 0.021 -1.867 414ALA HN 5847 0.054 -0.062 -1.867 414ALA CA 5848 -0.092 0.031 -1.755 414ALA HA 5849 -0.188 0.062 -1.793 414ALA CB 5850 -0.104 -0.105 -1.685 414ALA HB1 5851 -0.005 -0.142 -1.651 414ALA HB2 5852 -0.147 -0.181 -1.755 414ALA HB3 5853 -0.171 -0.099 -1.597 414ALA C 5854 -0.045 0.136 -1.654 414ALA O 5855 0.073 0.159 -1.635 415LYS N 5856 -0.140 0.203 -1.587 415LYS HN 5857 -0.237 0.182 -1.596 415LYS CA 5858 -0.102 0.305 -1.492 415LYS HA 5859 -0.021 0.267 -1.431 415LYS CB 5860 -0.060 0.439 -1.558 415LYS HB1 5861 0.026 0.419 -1.626 415LYS HB2 5862 -0.022 0.507 -1.479 415LYS CG 5863 -0.169 0.513 -1.637 415LYS HG1 5864 -0.260 0.525 -1.575 415LYS HG2 5865 -0.196 0.453 -1.727 415LYS CD 5866 -0.119 0.652 -1.679 415LYS HD1 5867 -0.032 0.639 -1.747 415LYS HD2 5868 -0.080 0.703 -1.587 415LYS CE 5869 -0.227 0.738 -1.744 415LYS HE1 5870 -0.316 0.744 -1.678 415LYS HE2 5871 -0.258 0.693 -1.842 415LYS NZ 5872 -0.177 0.874 -1.768 415LYS HZ1 5873 -0.090 0.871 -1.825 415LYS HZ2 5874 -0.152 0.918 -1.676 415LYS HZ3 5875 -0.249 0.932 -1.815 415LYS C 5876 -0.217 0.330 -1.398 415LYS O 5877 -0.333 0.299 -1.426 416VAL N 5878 -0.186 0.393 -1.284 416VAL HN 5879 -0.090 0.417 -1.265 416VAL CA 5880 -0.284 0.442 -1.190 416VAL HA 5881 -0.384 0.429 -1.231 416VAL CB 5882 -0.278 0.371 -1.055 416VAL HB 5883 -0.283 0.261 -1.076 416VAL CG1 5884 -0.146 0.398 -0.981 416VAL HG11 5885 -0.138 0.504 -0.950 416VAL HG12 5886 -0.059 0.372 -1.045 416VAL HG13 5887 -0.141 0.335 -0.889 416VAL CG2 5888 -0.401 0.408 -0.969 416VAL HG21 5889 -0.496 0.389 -1.023 416VAL HG22 5890 -0.398 0.515 -0.938 416VAL HG23 5891 -0.402 0.347 -0.876 416VAL C 5892 -0.260 0.591 -1.179 416VAL O 5893 -0.148 0.640 -1.191 417THR N 5894 -0.368 0.669 -1.163 417THR HN 5895 -0.459 0.629 -1.155 417THR CA 5896 -0.354 0.812 -1.137 417THR HA 5897 -0.252 0.835 -1.110 417THR CB 5898 -0.393 0.901 -1.255 417THR HB 5899 -0.500 0.883 -1.282 417THR OG1 5900 -0.312 0.871 -1.368 417THR HG1 5901 -0.315 0.775 -1.373 417THR CG2 5902 -0.372 1.049 -1.223 417THR HG21 5903 -0.267 1.068 -1.190 417THR HG22 5904 -0.440 1.084 -1.143 417THR HG23 5905 -0.390 1.111 -1.313 417THR C 5906 -0.439 0.845 -1.018 417THR O 5907 -0.559 0.820 -1.018 418PHE N 5908 -0.377 0.903 -0.915 418PHE HN 5909 -0.280 0.926 -0.921 418PHE CA 5910 -0.444 0.952 -0.796 418PHE HA 5911 -0.547 0.917 -0.794 418PHE CB 5912 -0.372 0.912 -0.664 418PHE HB1 5913 -0.426 0.951 -0.576 418PHE HB2 5914 -0.269 0.954 -0.663 418PHE CG 5915 -0.362 0.763 -0.651 418PHE CD1 5916 -0.474 0.688 -0.611 418PHE HD1 5917 -0.568 0.738 -0.594 418PHE CE1 5918 -0.466 0.550 -0.594 418PHE HE1 5919 -0.553 0.493 -0.563 418PHE CZ 5920 -0.344 0.484 -0.615 418PHE HZ 5921 -0.336 0.378 -0.600 418PHE CD2 5922 -0.240 0.696 -0.670 418PHE HD2 5923 -0.152 0.752 -0.698 418PHE CE2 5924 -0.231 0.557 -0.653 418PHE HE2 5925 -0.137 0.506 -0.667 418PHE C 5926 -0.445 1.102 -0.807 418PHE O 5927 -0.353 1.163 -0.865 419SER N 5928 -0.548 1.169 -0.757 419SER HN 5929 -0.626 1.122 -0.712 419SER CA 5930 -0.551 1.314 -0.761 419SER HA 5931 -0.453 1.348 -0.729 419SER CB 5932 -0.583 1.373 -0.902 419SER HB1 5933 -0.500 1.345 -0.970 419SER HB2 5934 -0.587 1.484 -0.899 419SER OG 5935 -0.704 1.321 -0.957 419SER HG1 5936 -0.696 1.225 -0.950 419SER C 5937 -0.648 1.365 -0.659 419SER O 5938 -0.725 1.291 -0.601 420ASN N 5939 -0.643 1.497 -0.630 420ASN HN 5940 -0.570 1.551 -0.672 420ASN CA 5941 -0.746 1.567 -0.553 420ASN HA 5942 -0.712 1.669 -0.546 420ASN CB 5943 -0.882 1.563 -0.629 420ASN HB1 5944 -0.928 1.463 -0.617 420ASN HB2 5945 -0.863 1.578 -0.737 420ASN CG 5946 -0.982 1.670 -0.585 420ASN OD1 5947 -0.951 1.773 -0.525 420ASN ND2 5948 -1.111 1.646 -0.619 420ASN HD21 5949 -1.133 1.559 -0.665 420ASN HD22 5950 -1.184 1.696 -0.571 420ASN C 5951 -0.759 1.517 -0.410 420ASN O 5952 -0.868 1.496 -0.359 421ILE N 5953 -0.645 1.498 -0.341 421ILE HN 5954 -0.556 1.510 -0.384 421ILE CA 5955 -0.644 1.460 -0.201 421ILE HA 5956 -0.711 1.375 -0.190 421ILE CB 5957 -0.506 1.412 -0.154 421ILE HB 5958 -0.431 1.490 -0.179 421ILE CG2 5959 -0.506 1.391 -0.000 421ILE HG21 5960 -0.590 1.325 0.029 421ILE HG22 5961 -0.516 1.487 0.055 421ILE HG23 5962 -0.411 1.344 0.033 421ILE CG1 5963 -0.468 1.281 -0.229 421ILE HG11 5964 -0.492 1.291 -0.337 421ILE HG12 5965 -0.532 1.199 -0.189 421ILE CD 5966 -0.320 1.244 -0.215 421ILE HD1 5967 -0.291 1.234 -0.109 421ILE HD2 5968 -0.255 1.321 -0.262 421ILE HD3 5969 -0.301 1.146 -0.265 421ILE C 5970 -0.699 1.570 -0.112 421ILE O 5971 -0.655 1.686 -0.118 422LYS N 5972 -0.797 1.537 -0.028 422LYS HN 5973 -0.832 1.442 -0.026 422LYS CA 5974 -0.858 1.631 0.062 422LYS HA 5975 -0.789 1.711 0.082 422LYS CB 5976 -0.994 1.686 0.012 422LYS HB1 5977 -1.023 1.770 0.079 422LYS HB2 5978 -1.072 1.607 0.020 422LYS CG 5979 -0.995 1.732 -0.135 422LYS HG1 5980 -0.981 1.643 -0.199 422LYS HG2 5981 -0.908 1.799 -0.155 422LYS CD 5982 -1.125 1.802 -0.179 422LYS HD1 5983 -1.209 1.729 -0.167 422LYS HD2 5984 -1.116 1.825 -0.287 422LYS CE 5985 -1.158 1.930 -0.100 422LYS HE1 5986 -1.075 2.003 -0.108 422LYS HE2 5987 -1.175 1.906 0.007 422LYS NZ 5988 -1.281 1.992 -0.151 422LYS HZ1 5989 -1.360 1.925 -0.139 422LYS HZ2 5990 -1.271 2.015 -0.252 422LYS HZ3 5991 -1.307 2.079 -0.099 422LYS C 5992 -0.881 1.556 0.191 422LYS O 5993 -0.921 1.442 0.194 423PHE N 5994 -0.849 1.624 0.304 423PHE HN 5995 -0.812 1.716 0.300 423PHE CA 5996 -0.854 1.562 0.433 423PHE HA 5997 -0.926 1.480 0.433 423PHE CB 5998 -0.713 1.506 0.467 423PHE HB1 5999 -0.637 1.584 0.444 423PHE HB2 6000 -0.692 1.418 0.403 423PHE CG 6001 -0.697 1.465 0.611 423PHE CD1 6002 -0.751 1.343 0.657 423PHE HD1 6003 -0.805 1.279 0.588 423PHE CE1 6004 -0.735 1.304 0.790 423PHE HE1 6005 -0.776 1.211 0.824 423PHE CZ 6006 -0.664 1.387 0.879 423PHE HZ 6007 -0.651 1.355 0.981 423PHE CD2 6008 -0.626 1.546 0.701 423PHE HD2 6009 -0.583 1.639 0.665 423PHE CE2 6010 -0.609 1.508 0.834 423PHE HE2 6011 -0.552 1.569 0.902 423PHE C 6012 -0.906 1.663 0.532 423PHE O 6013 -0.858 1.778 0.537 424GLY N 6014 -1.006 1.629 0.613 424GLY HN 6015 -1.046 1.536 0.611 424GLY CA 6016 -1.059 1.722 0.711 424GLY HA1 6017 -1.123 1.792 0.660 424GLY HA2 6018 -0.978 1.768 0.765 424GLY C 6019 -1.144 1.643 0.808 424GLY O 6020 -1.153 1.524 0.795 425PRO N 6021 -1.207 1.711 0.905 425PRO CD 6022 -1.178 1.849 0.941 425PRO HD1 6023 -1.219 1.917 0.863 425PRO HD2 6024 -1.069 1.865 0.954 425PRO CA 6025 -1.322 1.658 0.979 425PRO HA 6026 -1.283 1.581 1.044 425PRO CB 6027 -1.376 1.780 1.054 425PRO HB1 6028 -1.423 1.751 1.151 425PRO HB2 6029 -1.450 1.835 0.992 425PRO CG 6030 -1.252 1.868 1.074 425PRO HG1 6031 -1.277 1.974 1.095 425PRO HG2 6032 -1.191 1.826 1.157 425PRO C 6033 -1.429 1.592 0.895 425PRO O 6034 -1.442 1.624 0.776 426ILE N 6035 -1.509 1.502 0.953 426ILE HN 6036 -1.495 1.480 1.049 426ILE CA 6037 -1.620 1.437 0.884 426ILE HA 6038 -1.578 1.389 0.796 426ILE CB 6039 -1.684 1.327 0.968 426ILE HB 6040 -1.715 1.371 1.065 426ILE CG2 6041 -1.810 1.270 0.901 426ILE HG21 6042 -1.784 1.229 0.801 426ILE HG22 6043 -1.890 1.346 0.888 426ILE HG23 6044 -1.854 1.187 0.961 426ILE CG1 6045 -1.579 1.217 0.995 426ILE HG11 6046 -1.483 1.261 1.030 426ILE HG12 6047 -1.557 1.166 0.899 426ILE CD 6048 -1.622 1.114 1.099 426ILE HD1 6049 -1.713 1.059 1.066 426ILE HD2 6050 -1.642 1.162 1.197 426ILE HD3 6051 -1.541 1.040 1.113 426ILE C 6052 -1.724 1.535 0.832 426ILE O 6053 -1.781 1.614 0.909 427GLY N 6054 -1.751 1.532 0.700 427GLY HN 6055 -1.702 1.466 0.641 427GLY CA 6056 -1.845 1.621 0.633 427GLY HA1 6057 -1.927 1.643 0.700 427GLY HA2 6058 -1.876 1.572 0.542 427GLY C 6059 -1.784 1.752 0.593 427GLY O 6060 -1.855 1.854 0.580 428SER N 6061 -1.651 1.758 0.572 428SER HN 6062 -1.597 1.674 0.581 428SER CA 6063 -1.585 1.882 0.533 428SER HA 6064 -1.659 1.960 0.523 428SER CB 6065 -1.482 1.933 0.638 428SER HB1 6066 -1.533 1.942 0.737 428SER HB2 6067 -1.447 2.034 0.609 428SER OG 6068 -1.369 1.848 0.651 428SER HG1 6069 -1.401 1.763 0.688 428SER C 6070 -1.516 1.875 0.400 428SER O 6071 -1.481 1.980 0.343 429THR N 6072 -1.497 1.756 0.340 429THR HN 6073 -1.529 1.670 0.384 429THR CA 6074 -1.413 1.743 0.221 429THR HA 6075 -1.339 1.821 0.223 429THR CB 6076 -1.336 1.612 0.214 429THR HB 6077 -1.277 1.606 0.120 429THR OG1 6078 -1.422 1.498 0.219 429THR HG1 6079 -1.467 1.498 0.306 429THR CG2 6080 -1.237 1.603 0.331 429THR HG21 6081 -1.291 1.602 0.429 429THR HG22 6082 -1.167 1.688 0.331 429THR HG23 6083 -1.179 1.508 0.325 429THR C 6084 -1.490 1.763 0.093 429THR O 6085 -1.432 1.776 -0.016 430GLY N 6086 -1.624 1.776 0.102 430GLY HN 6087 -1.668 1.761 0.192 430GLY CA 6088 -1.710 1.815 -0.009 430GLY HA1 6089 -1.812 1.795 0.020 430GLY HA2 6090 -1.680 1.762 -0.098 430GLY C 6091 -1.702 1.962 -0.036 430GLY O 6092 -1.715 2.007 -0.151 431ASN N 6093 -1.680 2.041 0.069 431ASN HN 6094 -1.665 1.999 0.158 431ASN CA 6095 -1.676 2.186 0.067 431ASN HA 6096 -1.771 2.214 0.023 431ASN CB 6097 -1.668 2.244 0.211 431ASN HB1 6098 -1.670 2.355 0.207 431ASN HB2 6099 -1.573 2.212 0.259 431ASN CG 6100 -1.789 2.200 0.292 431ASN OD1 6101 -1.902 2.193 0.245 431ASN ND2 6102 -1.766 2.165 0.421 431ASN HD21 6103 -1.844 2.125 0.471 431ASN HD22 6104 -1.675 2.171 0.458 431ASN C 6105 -1.564 2.241 -0.024 431ASN O 6106 -1.460 2.174 -0.038 432PRO N 6107 -1.582 2.355 -0.091 432PRO CD 6108 -1.700 2.442 -0.076 432PRO HD1 6109 -1.696 2.491 0.024 432PRO HD2 6110 -1.795 2.386 -0.088 432PRO CA 6111 -1.486 2.414 -0.184 432PRO HA 6112 -1.497 2.356 -0.275 432PRO CB 6113 -1.535 2.559 -0.203 432PRO HB1 6114 -1.505 2.601 -0.301 432PRO HB2 6115 -1.495 2.623 -0.121 432PRO CG 6116 -1.686 2.547 -0.186 432PRO HG1 6117 -1.734 2.643 -0.158 432PRO HG2 6118 -1.732 2.508 -0.280 432PRO C 6119 -1.338 2.407 -0.151 432PRO O 6120 -1.297 2.436 -0.039 433SER N 6121 -1.255 2.369 -0.249 433SER HN 6122 -1.291 2.343 -0.338 433SER CA 6123 -1.111 2.379 -0.239 433SER HA 6124 -1.081 2.332 -0.146 433SER CB 6125 -1.039 2.306 -0.354 433SER HB1 6126 -0.929 2.313 -0.340 433SER HB2 6127 -1.064 2.355 -0.451 433SER OG 6128 -1.078 2.168 -0.360 433SER HG1 6129 -1.018 2.131 -0.426 433SER C 6130 -1.060 2.522 -0.235 433SER O 6131 -1.117 2.610 -0.303 434GLY N 6132 -0.952 2.549 -0.161 434GLY HN 6133 -0.903 2.476 -0.112 434GLY CA 6134 -0.886 2.679 -0.153 434GLY HA1 6135 -0.918 2.727 -0.061 434GLY HA2 6136 -0.910 2.737 -0.241 434GLY C 6137 -0.733 2.661 -0.149 434GLY OT1 6138 -0.679 2.585 -0.234 434GLY OT2 6139 -0.666 2.723 -0.062 1BGLC C1 6140 -0.706 -1.426 0.189 1BGLC H1 6141 -0.691 -1.434 0.299 1BGLC O1 6142 -0.753 -1.549 0.139 1BGLC HO1 6143 -0.691 -1.613 0.175 1BGLC C5 6144 -0.763 -1.201 0.224 1BGLC H5 6145 -0.746 -1.222 0.333 1BGLC O5 6146 -0.799 -1.324 0.157 1BGLC C2 6147 -0.576 -1.389 0.119 1BGLC H2 6148 -0.600 -1.378 0.011 1BGLC O2 6149 -0.473 -1.490 0.129 1BGLC HO2 6150 -0.395 -1.450 0.090 1BGLC C3 6151 -0.524 -1.255 0.167 1BGLC H3 6152 -0.490 -1.267 0.273 1BGLC O3 6153 -0.411 -1.215 0.089 1BGLC HO3 6154 -0.374 -1.134 0.128 1BGLC C4 6155 -0.632 -1.148 0.166 1BGLC H4 6156 -0.653 -1.116 0.062 1BGLC O4 6157 -0.590 -1.038 0.247 1BGLC C6 6158 -0.880 -1.105 0.218 1BGLC H61 6159 -0.855 -1.011 0.274 1BGLC H62 6160 -0.967 -1.150 0.271 1BGLC O6 6161 -0.922 -1.072 0.085 1BGLC HO6 6162 -0.990 -1.003 0.096 2BGLC C1 6163 -0.523 -0.933 0.181 2BGLC H1 6164 -0.555 -0.926 0.075 2BGLC C5 6165 -0.309 -0.850 0.119 2BGLC H5 6166 -0.350 -0.843 0.016 2BGLC O5 6167 -0.381 -0.953 0.190 2BGLC C2 6168 -0.556 -0.803 0.252 2BGLC H2 6169 -0.521 -0.812 0.357 2BGLC O2 6170 -0.698 -0.783 0.254 2BGLC HO2 6171 -0.727 -0.789 0.347 2BGLC C3 6172 -0.481 -0.687 0.188 2BGLC H3 6173 -0.516 -0.678 0.082 2BGLC O3 6174 -0.512 -0.566 0.255 2BGLC HO3 6175 -0.484 -0.482 0.213 2BGLC C4 6176 -0.332 -0.715 0.188 2BGLC H4 6177 -0.295 -0.721 0.293 2BGLC O4 6178 -0.257 -0.617 0.115 2BGLC C6 6179 -0.164 -0.891 0.108 2BGLC H61 6180 -0.116 -0.886 0.208 2BGLC H62 6181 -0.109 -0.821 0.041 2BGLC O6 6182 -0.149 -1.025 0.058 2BGLC HO6 6183 -0.169 -1.026 -0.036 3BGLC C1 6184 -0.204 -0.507 0.187 3BGLC H1 6185 -0.270 -0.482 0.273 3BGLC C5 6186 -0.098 -0.309 0.089 3BGLC H5 6187 -0.089 -0.248 0.182 3BGLC O5 6188 -0.212 -0.395 0.097 3BGLC C2 6189 -0.066 -0.548 0.243 3BGLC H2 6190 -0.044 -0.647 0.196 3BGLC O2 6191 -0.069 -0.573 0.384 3BGLC HO2 6192 -0.078 -0.488 0.432 3BGLC C3 6193 0.052 -0.461 0.204 3BGLC H3 6194 0.064 -0.380 0.281 3BGLC O3 6195 0.174 -0.537 0.204 3BGLC HO3 6196 0.233 -0.503 0.275 3BGLC C4 6197 0.026 -0.394 0.072 3BGLC H4 6198 0.003 -0.473 -0.004 3BGLC O4 6199 0.134 -0.311 0.027 3BGLC C6 6200 -0.125 -0.213 -0.026 3BGLC H61 6201 -0.036 -0.151 -0.047 3BGLC H62 6202 -0.207 -0.145 0.005 3BGLC O6 6203 -0.165 -0.282 -0.145 3BGLC HO6 6204 -0.243 -0.332 -0.116 4BGLC C1 6205 0.197 -0.364 -0.087 4BGLC H1 6206 0.121 -0.390 -0.165 4BGLC C5 6207 0.327 -0.548 -0.162 4BGLC H5 6208 0.244 -0.573 -0.232 4BGLC O5 6209 0.277 -0.476 -0.050 4BGLC C2 6210 0.295 -0.262 -0.140 4BGLC H2 6211 0.368 -0.243 -0.058 4BGLC O2 6212 0.232 -0.136 -0.172 4BGLC HO2 6213 0.211 -0.093 -0.087 4BGLC C3 6214 0.368 -0.321 -0.259 4BGLC H3 6215 0.291 -0.336 -0.339 4BGLC O3 6216 0.469 -0.234 -0.310 4BGLC HO3 6217 0.485 -0.262 -0.401 4BGLC C4 6218 0.428 -0.457 -0.230 4BGLC H4 6219 0.514 -0.444 -0.160 4BGLC O4 6220 0.472 -0.513 -0.355 4BGLC C6 6221 0.385 -0.675 -0.105 4BGLC H61 6222 0.461 -0.651 -0.027 4BGLC H62 6223 0.435 -0.734 -0.185 4BGLC O6 6224 0.284 -0.758 -0.046 4BGLC HO6 6225 0.243 -0.707 0.026 5BGLC C1 6226 0.604 -0.561 -0.357 5BGLC H1 6227 0.613 -0.648 -0.289 5BGLC C5 6228 0.831 -0.509 -0.321 5BGLC H5 6229 0.835 -0.609 -0.272 5BGLC O5 6230 0.697 -0.459 -0.319 5BGLC C2 6231 0.632 -0.605 -0.501 5BGLC H2 6232 0.607 -0.518 -0.567 5BGLC O2 6233 0.549 -0.715 -0.541 5BGLC HO2 6234 0.486 -0.690 -0.611 5BGLC C3 6235 0.779 -0.638 -0.521 5BGLC H3 6236 0.801 -0.731 -0.463 5BGLC O3 6237 0.809 -0.668 -0.658 5BGLC HO3 6238 0.749 -0.736 -0.689 5BGLC C4 6239 0.866 -0.527 -0.468 5BGLC H4 6240 0.842 -0.434 -0.524 5BGLC O4 6241 1.006 -0.558 -0.479 5BGLC C6 6242 0.925 -0.419 -0.242 5BGLC H61 6243 0.919 -0.315 -0.283 5BGLC H62 6244 1.029 -0.455 -0.255 5BGLC O6 6245 0.895 -0.417 -0.102 5BGLC HO6 6246 0.904 -0.507 -0.064 6BGLC C1 6247 1.080 -0.454 -0.537 6BGLC H1 6248 1.051 -0.357 -0.489 6BGLC C5 6249 1.116 -0.331 -0.735 6BGLC H5 6250 1.080 -0.243 -0.677 6BGLC O5 6251 1.058 -0.449 -0.678 6BGLC C2 6252 1.228 -0.479 -0.519 6BGLC H2 6253 1.253 -0.571 -0.577 6BGLC O2 6254 1.265 -0.501 -0.382 6BGLC HO2 6255 1.326 -0.575 -0.380 6BGLC C3 6256 1.307 -0.363 -0.578 6BGLC H3 6257 1.279 -0.272 -0.521 6BGLC O3 6258 1.449 -0.381 -0.566 6BGLC HO3 6259 1.489 -0.298 -0.598 6BGLC C4 6260 1.267 -0.341 -0.722 6BGLC H4 6261 1.301 -0.427 -0.784 6BGLC O4 6262 1.320 -0.218 -0.770 6BGLC C6 6263 1.064 -0.313 -0.877 6BGLC H61 6264 1.076 -0.206 -0.908 6BGLC H62 6265 0.955 -0.336 -0.879 6BGLC O6 6266 1.132 -0.394 -0.974 6BGLC HO6 6267 1.212 -0.350 -1.004 7BGLC C1 6268 1.439 -0.224 -0.842 7BGLC H1 6269 1.446 -0.318 -0.902 7BGLC C5 6270 1.676 -0.215 -0.824 7BGLC H5 6271 1.678 -0.305 -0.891 7BGLC O5 6272 1.551 -0.210 -0.753 7BGLC C2 6273 1.433 -0.103 -0.933 7BGLC H2 6274 1.407 -0.015 -0.869 7BGLC O2 6275 1.329 -0.120 -1.031 7BGLC HO2 6276 1.264 -0.048 -1.026 7BGLC C3 6277 1.566 -0.073 -1.000 7BGLC H3 6278 1.577 -0.147 -1.084 7BGLC O3 6279 1.564 0.058 -1.055 7BGLC HO3 6280 1.629 0.064 -1.126 7BGLC C4 6281 1.685 -0.090 -0.910 7BGLC H4 6282 1.692 -0.002 -0.841 7BGLC O4 6283 1.804 -0.102 -0.990 7BGLC C6 6284 1.789 -0.225 -0.724 7BGLC H61 6285 1.780 -0.140 -0.652 7BGLC H62 6286 1.887 -0.214 -0.777 7BGLC O6 6287 1.791 -0.347 -0.649 7BGLC HO6 6288 1.811 -0.421 -0.708 8BGLC C1 6289 1.890 0.009 -0.988 8BGLC H1 6290 1.909 0.041 -0.882 8BGLC C5 6291 1.921 0.232 -1.061 8BGLC H5 6292 1.942 0.255 -0.954 8BGLC O5 6293 1.838 0.116 -1.067 8BGLC C2 6294 2.020 -0.035 -1.053 8BGLC H2 6295 1.995 -0.071 -1.155 8BGLC O2 6296 2.079 -0.145 -0.981 8BGLC HO2 6297 2.138 -0.193 -1.042 8BGLC C3 6298 2.118 0.080 -1.066 8BGLC H3 6299 2.150 0.110 -0.964 8BGLC O3 6300 2.235 0.042 -1.139 8BGLC HO3 6301 2.299 0.114 -1.132 8BGLC C4 6302 2.053 0.201 -1.131 8BGLC H4 6303 2.031 0.176 -1.238 8BGLC O4 6304 2.138 0.315 -1.127 8BGLC HO4 6305 2.114 0.375 -1.199 8BGLC C6 6306 1.847 0.351 -1.118 8BGLC H61 6307 1.901 0.444 -1.090 8BGLC H62 6308 1.745 0.357 -1.073 8BGLC O6 6309 1.838 0.347 -1.261 8BGLC HO6 6310 1.773 0.279 -1.289 1TIP3 OH2 6311 -3.158 -3.372 -3.629 1TIP3 H1 6312 -3.161 -3.275 -3.620 1TIP3 H2 6313 -3.237 -3.387 -3.684 2TIP3 OH2 6314 -3.276 -3.423 -3.320 2TIP3 H1 6315 -3.276 -3.477 -3.240 2TIP3 H2 6316 -3.303 -3.487 -3.387 3TIP3 OH2 6317 -4.028 -3.463 -3.156 3TIP3 H1 6318 -4.033 -3.537 -3.092 3TIP3 H2 6319 -3.959 -3.408 -3.116 4TIP3 OH2 6320 -2.928 -3.166 -3.453 4TIP3 H1 6321 -2.954 -3.233 -3.387 4TIP3 H2 6322 -2.839 -3.141 -3.424 5TIP3 OH2 6323 -3.959 -3.001 -3.307 5TIP3 H1 6324 -3.988 -3.091 -3.332 5TIP3 H2 6325 -3.867 -3.017 -3.283 6TIP3 OH2 6326 -4.213 -3.615 -3.872 6TIP3 H1 6327 -4.231 -3.533 -3.823 6TIP3 H2 6328 -4.303 -3.641 -3.897 7TIP3 OH2 6329 -4.206 -3.429 -3.604 7TIP3 H1 6330 -4.188 -3.489 -3.530 7TIP3 H2 6331 -4.121 -3.384 -3.615 8TIP3 OH2 6332 -3.198 -2.738 -3.375 8TIP3 H1 6333 -3.220 -2.687 -3.419 8TIP3 H2 6334 -3.287 -2.757 -3.329 9TIP3 OH2 6335 -3.425 -3.171 -3.266 9TIP3 H1 6336 -3.392 -3.244 -3.319 9TIP3 H2 6337 -3.345 -3.155 -3.211 10TIP3 OH2 6338 -2.572 -4.016 -3.207 10TIP3 H1 6339 -2.537 -3.974 -3.127 10TIP3 H2 6340 -2.505 -3.987 -3.272 11TIP3 OH2 6341 -3.098 -3.740 -3.212 11TIP3 H1 6342 -3.078 -3.835 -3.209 11TIP3 H2 6343 -3.106 -3.725 -3.307 12TIP3 OH2 6344 -3.803 -3.941 -3.502 12TIP3 H1 6345 -3.784 -3.857 -3.547 12TIP3 H2 6346 -3.833 -3.995 -3.577 13TIP3 OH2 6347 -3.013 -3.923 -3.671 13TIP3 H1 6348 -2.953 -3.966 -3.607 13TIP3 H2 6349 -2.949 -3.878 -3.728 14TIP3 OH2 6350 -4.139 -3.663 -3.451 14TIP3 H1 6351 -4.080 -3.705 -3.386 14TIP3 H2 6352 -4.120 -3.717 -3.530 15TIP3 OH2 6353 -3.592 -3.526 -3.509 15TIP3 H1 6354 -3.521 -3.580 -3.469 15TIP3 H2 6355 -3.643 -3.593 -3.557 16TIP3 OH2 6356 -2.477 -3.848 -2.944 16TIP3 H1 6357 -2.554 -3.797 -2.974 16TIP3 H2 6358 -2.512 -3.888 -2.863 17TIP3 OH2 6359 -3.917 -4.052 -3.082 17TIP3 H1 6360 -3.957 -4.008 -3.159 17TIP3 H2 6361 -3.987 -4.035 -3.015 18TIP3 OH2 6362 -3.187 -3.111 -3.745 18TIP3 H1 6363 -3.198 -3.122 -3.840 18TIP3 H2 6364 -3.220 -3.022 -3.729 19TIP3 OH2 6365 -3.626 -3.270 -3.078 19TIP3 H1 6366 -3.698 -3.210 -3.050 19TIP3 H2 6367 -3.563 -3.208 -3.118 20TIP3 OH2 6368 -2.825 -4.012 -3.467 20TIP3 H1 6369 -2.871 -4.061 -3.398 20TIP3 H2 6370 -2.771 -3.950 -3.415 21TIP3 OH2 6371 -3.958 -3.851 -3.295 21TIP3 H1 6372 -3.894 -3.793 -3.250 21TIP3 H2 6373 -3.902 -3.888 -3.366 22TIP3 OH2 6374 -3.828 -3.084 -3.005 22TIP3 H1 6375 -3.829 -2.990 -3.034 22TIP3 H2 6376 -3.916 -3.089 -2.963 23TIP3 OH2 6377 -4.183 -3.120 -3.917 23TIP3 H1 6378 -4.261 -3.100 -3.973 23TIP3 H2 6379 -4.196 -3.058 -3.842 24TIP3 OH2 6380 -2.843 -2.960 -3.213 24TIP3 H1 6381 -2.938 -2.970 -3.236 24TIP3 H2 6382 -2.821 -2.885 -3.271 25TIP3 OH2 6383 -2.808 -4.110 -3.066 25TIP3 H1 6384 -2.888 -4.077 -3.110 25TIP3 H2 6385 -2.742 -4.097 -3.136 26TIP3 OH2 6386 -3.497 4.382 -3.359 26TIP3 H1 6387 -3.500 4.286 -3.355 26TIP3 H2 6388 -3.587 4.411 -3.334 27TIP3 OH2 6389 -3.010 -2.683 -3.610 27TIP3 H1 6390 -3.068 -2.749 -3.642 27TIP3 H2 6391 -2.942 -2.674 -3.682 28TIP3 OH2 6392 -2.838 -3.072 -3.688 28TIP3 H1 6393 -2.922 -3.051 -3.699 28TIP3 H2 6394 -2.835 -3.152 -3.647 29TIP3 OH2 6395 -2.722 -3.105 -2.871 29TIP3 H1 6396 -2.732 -3.169 -2.943 29TIP3 H2 6397 -2.710 -3.021 -2.921 30TIP3 OH2 6398 -3.292 -3.418 -3.906 30TIP3 H1 6399 -3.359 -3.356 -3.941 30TIP3 H2 6400 -3.219 -3.409 -3.969 31TIP3 OH2 6401 -3.275 -3.594 -4.204 31TIP3 H1 6402 -3.207 -3.562 -4.143 31TIP3 H2 6403 -3.221 -3.655 -4.259 32TIP3 OH2 6404 -2.546 -3.488 -3.077 32TIP3 H1 6405 -2.618 -3.423 -3.068 32TIP3 H2 6406 -2.498 -3.454 -3.155 33TIP3 OH2 6407 -2.955 -3.462 -3.797 33TIP3 H1 6408 -3.019 -3.431 -3.730 33TIP3 H2 6409 -2.883 -3.497 -3.741 34TIP3 OH2 6410 -2.961 -3.562 -2.911 34TIP3 H1 6411 -2.954 -3.482 -2.856 34TIP3 H2 6412 -3.024 -3.530 -2.977 35TIP3 OH2 6413 -3.780 -3.335 -3.618 35TIP3 H1 6414 -3.815 -3.380 -3.697 35TIP3 H2 6415 -3.718 -3.402 -3.583 36TIP3 OH2 6416 -3.644 -2.997 -3.345 36TIP3 H1 6417 -3.658 -3.042 -3.428 36TIP3 H2 6418 -3.566 -3.045 -3.308 37TIP3 OH2 6419 -3.728 -3.453 -3.269 37TIP3 H1 6420 -3.668 -3.453 -3.346 37TIP3 H2 6421 -3.686 -3.389 -3.208 38TIP3 OH2 6422 -3.129 -2.922 -3.197 38TIP3 H1 6423 -3.123 -2.847 -3.134 38TIP3 H2 6424 -3.152 -3.001 -3.151 39TIP3 OH2 6425 -3.642 -3.025 -2.784 39TIP3 H1 6426 -3.693 -2.958 -2.734 39TIP3 H2 6427 -3.707 -3.050 -2.853 40TIP3 OH2 6428 -3.040 -3.466 -4.062 40TIP3 H1 6429 -2.998 -3.453 -3.974 40TIP3 H2 6430 -2.972 -3.425 -4.120 41TIP3 OH2 6431 -3.956 -3.390 -2.868 41TIP3 H1 6432 -3.947 -3.329 -2.792 41TIP3 H2 6433 -4.053 -3.393 -2.878 42TIP3 OH2 6434 -3.290 -2.776 -3.693 42TIP3 H1 6435 -3.285 -2.806 -3.602 42TIP3 H2 6436 -3.377 -2.734 -3.699 43TIP3 OH2 6437 -3.835 -2.810 -2.700 43TIP3 H1 6438 -3.844 -2.804 -2.797 43TIP3 H2 6439 -3.927 -2.826 -2.671 44TIP3 OH2 6440 -2.717 -4.336 -4.128 44TIP3 H1 6441 -2.763 -4.332 -4.043 44TIP3 H2 6442 -2.651 -4.266 -4.114 45TIP3 OH2 6443 -3.893 -3.464 -3.866 45TIP3 H1 6444 -3.919 -3.387 -3.919 45TIP3 H2 6445 -3.963 -3.527 -3.887 46TIP3 OH2 6446 -2.534 -2.901 -4.310 46TIP3 H1 6447 -2.508 -2.811 -4.287 46TIP3 H2 6448 -2.489 -2.953 -4.241 47TIP3 OH2 6449 -4.266 -3.181 -3.010 47TIP3 H1 6450 -4.288 -3.214 -3.099 47TIP3 H2 6451 -4.307 -3.249 -2.954 48TIP3 OH2 6452 -4.281 -2.902 -3.313 48TIP3 H1 6453 -4.196 -2.942 -3.293 48TIP3 H2 6454 -4.301 -2.852 -3.233 49TIP3 OH2 6455 -2.443 -2.842 -2.720 49TIP3 H1 6456 -2.454 -2.938 -2.737 49TIP3 H2 6457 -2.533 -2.818 -2.691 50TIP3 OH2 6458 -3.378 -2.919 -2.841 50TIP3 H1 6459 -3.369 -2.837 -2.786 50TIP3 H2 6460 -3.468 -2.949 -2.816 51TIP3 OH2 6461 -3.973 -2.628 -3.679 51TIP3 H1 6462 -3.954 -2.667 -3.591 51TIP3 H2 6463 -4.053 -2.678 -3.702 52TIP3 OH2 6464 -2.963 -2.857 -3.893 52TIP3 H1 6465 -2.950 -2.933 -3.951 52TIP3 H2 6466 -2.890 -2.871 -3.832 53TIP3 OH2 6467 -3.216 -2.477 -3.767 53TIP3 H1 6468 -3.255 -2.547 -3.812 53TIP3 H2 6469 -3.127 -2.517 -3.743 54TIP3 OH2 6470 -2.763 -3.709 -2.680 54TIP3 H1 6471 -2.814 -3.669 -2.752 54TIP3 H2 6472 -2.756 -3.801 -2.709 55TIP3 OH2 6473 -4.070 -3.041 -2.864 55TIP3 H1 6474 -4.042 -3.097 -2.789 55TIP3 H2 6475 -4.147 -3.091 -2.902 56TIP3 OH2 6476 -3.752 -4.222 -3.273 56TIP3 H1 6477 -3.838 -4.230 -3.317 56TIP3 H2 6478 -3.764 -4.135 -3.230 57TIP3 OH2 6479 -3.291 -4.261 -2.917 57TIP3 H1 6480 -3.270 -4.310 -2.836 57TIP3 H2 6481 -3.386 -4.278 -2.925 58TIP3 OH2 6482 -2.995 -3.863 -2.876 58TIP3 H1 6483 -3.051 -3.875 -2.797 58TIP3 H2 6484 -2.999 -3.767 -2.892 59TIP3 OH2 6485 -2.829 -3.383 -4.248 59TIP3 H1 6486 -2.846 -3.411 -4.338 59TIP3 H2 6487 -2.779 -3.301 -4.262 60TIP3 OH2 6488 -3.329 -3.997 -4.213 60TIP3 H1 6489 -3.384 -3.996 -4.133 60TIP3 H2 6490 -3.378 -4.062 -4.266 61TIP3 OH2 6491 -3.762 -3.715 -3.148 61TIP3 H1 6492 -3.820 -3.703 -3.072 61TIP3 H2 6493 -3.755 -3.624 -3.184 62TIP3 OH2 6494 -3.769 -3.709 -3.659 62TIP3 H1 6495 -3.865 -3.716 -3.677 62TIP3 H2 6496 -3.733 -3.727 -3.748 63TIP3 OH2 6497 -3.207 -3.657 -3.787 63TIP3 H1 6498 -3.245 -3.573 -3.819 63TIP3 H2 6499 -3.135 -3.670 -3.850 64TIP3 OH2 6500 -3.287 -3.632 -2.650 64TIP3 H1 6501 -3.338 -3.706 -2.611 64TIP3 H2 6502 -3.200 -3.642 -2.606 65TIP3 OH2 6503 -3.120 -3.712 -3.505 65TIP3 H1 6504 -3.149 -3.655 -3.579 65TIP3 H2 6505 -3.100 -3.793 -3.555 66TIP3 OH2 6506 -4.026 -3.697 -2.965 66TIP3 H1 6507 -3.995 -3.662 -2.881 66TIP3 H2 6508 -4.052 -3.788 -2.941 67TIP3 OH2 6509 -3.653 -3.961 -4.315 67TIP3 H1 6510 -3.685 -3.987 -4.227 67TIP3 H2 6511 -3.727 -3.908 -4.348 68TIP3 OH2 6512 -4.321 -3.942 -3.601 68TIP3 H1 6513 -4.303 -3.970 -3.510 68TIP3 H2 6514 -4.287 -4.015 -3.653 69TIP3 OH2 6515 -4.206 -3.894 -4.021 69TIP3 H1 6516 -4.147 -3.868 -4.093 69TIP3 H2 6517 -4.289 -3.851 -4.045 70TIP3 OH2 6518 -3.215 -3.544 -3.060 70TIP3 H1 6519 -3.168 -3.616 -3.109 70TIP3 H2 6520 -3.243 -3.589 -2.980 71TIP3 OH2 6521 -3.490 -3.941 -3.560 71TIP3 H1 6522 -3.583 -3.961 -3.539 71TIP3 H2 6523 -3.445 -3.973 -3.480 72TIP3 OH2 6524 -4.040 -3.822 -3.695 72TIP3 H1 6525 -4.115 -3.808 -3.755 72TIP3 H2 6526 -4.003 -3.906 -3.730 73TIP3 OH2 6527 -3.674 -3.786 -3.921 73TIP3 H1 6528 -3.577 -3.784 -3.917 73TIP3 H2 6529 -3.695 -3.727 -3.996 74TIP3 OH2 6530 -3.056 -4.032 -3.256 74TIP3 H1 6531 -3.119 -4.035 -3.181 74TIP3 H2 6532 -3.114 -4.063 -3.327 75TIP3 OH2 6533 -3.814 -3.672 -4.160 75TIP3 H1 6534 -3.875 -3.722 -4.216 75TIP3 H2 6535 -3.738 -3.657 -4.219 76TIP3 OH2 6536 -2.751 -2.457 -2.590 76TIP3 H1 6537 -2.725 -2.411 -2.672 76TIP3 H2 6538 -2.685 -2.424 -2.528 77TIP3 OH2 6539 -3.953 -3.197 -2.647 77TIP3 H1 6540 -3.890 -3.192 -2.572 77TIP3 H2 6541 -4.037 -3.184 -2.598 78TIP3 OH2 6542 -3.388 -3.693 -3.375 78TIP3 H1 6543 -3.317 -3.738 -3.422 78TIP3 H2 6544 -3.405 -3.756 -3.301 79TIP3 OH2 6545 -3.877 -4.060 -3.754 79TIP3 H1 6546 -3.921 -4.146 -3.742 79TIP3 H2 6547 -3.791 -4.085 -3.790 80TIP3 OH2 6548 -3.493 -3.849 -3.149 80TIP3 H1 6549 -3.568 -3.788 -3.149 80TIP3 H2 6550 -3.442 -3.823 -3.069 81TIP3 OH2 6551 -3.477 -3.208 -3.961 81TIP3 H1 6552 -3.553 -3.260 -3.994 81TIP3 H2 6553 -3.495 -3.205 -3.864 82TIP3 OH2 6554 -2.754 -3.294 -3.087 82TIP3 H1 6555 -2.706 -3.239 -3.152 82TIP3 H2 6556 -2.841 -3.305 -3.130 83TIP3 OH2 6557 -3.061 -3.931 -4.189 83TIP3 H1 6558 -3.159 -3.936 -4.186 83TIP3 H2 6559 -3.039 -3.859 -4.127 84TIP3 OH2 6560 -3.316 -3.210 -2.829 84TIP3 H1 6561 -3.341 -3.240 -2.741 84TIP3 H2 6562 -3.344 -3.116 -2.828 85TIP3 OH2 6563 -3.000 -3.750 -3.990 85TIP3 H1 6564 -2.915 -3.765 -3.943 85TIP3 H2 6565 -2.986 -3.662 -4.028 86TIP3 OH2 6566 -3.978 -3.280 -3.391 86TIP3 H1 6567 -3.908 -3.286 -3.459 86TIP3 H2 6568 -3.962 -3.360 -3.338 87TIP3 OH2 6569 -3.234 -3.072 -4.064 87TIP3 H1 6570 -3.266 -2.987 -4.030 87TIP3 H2 6571 -3.309 -3.130 -4.041 88TIP3 OH2 6572 -4.239 -3.426 -2.823 88TIP3 H1 6573 -4.231 -3.492 -2.752 88TIP3 H2 6574 -4.286 -3.476 -2.893 89TIP3 OH2 6575 -3.541 -3.494 -2.653 89TIP3 H1 6576 -3.574 -3.518 -2.741 89TIP3 H2 6577 -3.447 -3.520 -2.661 90TIP3 OH2 6578 -3.088 -2.950 -2.881 90TIP3 H1 6579 -3.185 -2.940 -2.886 90TIP3 H2 6580 -3.070 -2.924 -2.790 91TIP3 OH2 6581 -2.530 -3.736 -4.001 91TIP3 H1 6582 -2.594 -3.756 -4.071 91TIP3 H2 6583 -2.518 -3.641 -4.018 92TIP3 OH2 6584 -2.489 -3.141 -2.724 92TIP3 H1 6585 -2.583 -3.118 -2.743 92TIP3 H2 6586 -2.457 -3.158 -2.814 93TIP3 OH2 6587 -2.725 -2.870 -4.054 93TIP3 H1 6588 -2.810 -2.845 -4.091 93TIP3 H2 6589 -2.663 -2.813 -4.100 94TIP3 OH2 6590 -2.993 -3.359 -3.249 94TIP3 H1 6591 -3.086 -3.372 -3.275 94TIP3 H2 6592 -2.950 -3.432 -3.299 95TIP3 OH2 6593 -3.726 -2.942 -3.663 95TIP3 H1 6594 -3.688 -2.854 -3.656 95TIP3 H2 6595 -3.821 -2.922 -3.672 96TIP3 OH2 6596 -4.149 -3.463 -4.168 96TIP3 H1 6597 -4.078 -3.400 -4.143 96TIP3 H2 6598 -4.222 -3.401 -4.183 97TIP3 OH2 6599 -3.544 -3.170 -3.690 97TIP3 H1 6600 -3.581 -3.082 -3.676 97TIP3 H2 6601 -3.613 -3.226 -3.648 98TIP3 OH2 6602 -3.528 -2.754 -3.056 98TIP3 H1 6603 -3.480 -2.673 -3.078 98TIP3 H2 6604 -3.466 -2.798 -2.995 99TIP3 OH2 6605 -3.671 -2.617 -3.737 99TIP3 H1 6606 -3.765 -2.636 -3.724 99TIP3 H2 6607 -3.652 -2.562 -3.660 100TIP3 OH2 6608 -3.187 -3.174 -3.099 100TIP3 H1 6609 -3.213 -3.200 -3.009 100TIP3 H2 6610 -3.112 -3.233 -3.116 101TIP3 OH2 6611 -3.007 -3.064 -4.235 101TIP3 H1 6612 -2.998 -3.160 -4.247 101TIP3 H2 6613 -3.055 -3.060 -4.151 102TIP3 OH2 6614 -2.892 -2.715 -2.858 102TIP3 H1 6615 -2.967 -2.761 -2.901 102TIP3 H2 6616 -2.882 -2.636 -2.914 103TIP3 OH2 6617 -2.485 -2.602 -4.152 103TIP3 H1 6618 -2.410 -2.539 -4.148 103TIP3 H2 6619 -2.561 -2.540 -4.140 104TIP3 OH2 6620 -4.106 -3.957 -2.889 104TIP3 H1 6621 -4.196 -3.924 -2.906 104TIP3 H2 6622 -4.124 -4.045 -2.849 105TIP3 OH2 6623 -2.881 -3.184 -3.972 105TIP3 H1 6624 -2.887 -3.253 -3.905 105TIP3 H2 6625 -2.785 -3.166 -3.972 106TIP3 OH2 6626 -4.128 -2.800 -3.046 106TIP3 H1 6627 -4.108 -2.894 -3.033 106TIP3 H2 6628 -4.097 -2.764 -2.962 107TIP3 OH2 6629 -3.518 -2.935 -4.319 107TIP3 H1 6630 -3.479 -3.017 -4.354 107TIP3 H2 6631 -3.578 -2.971 -4.251 108TIP3 OH2 6632 -3.665 -2.984 -4.076 108TIP3 H1 6633 -3.616 -3.042 -4.015 108TIP3 H2 6634 -3.643 -2.895 -4.043 109TIP3 OH2 6635 -3.985 -3.247 -4.041 109TIP3 H1 6636 -4.058 -3.208 -3.988 109TIP3 H2 6637 -3.939 -3.166 -4.065 110TIP3 OH2 6638 -3.216 -4.007 -3.026 110TIP3 H1 6639 -3.152 -3.980 -2.959 110TIP3 H2 6640 -3.250 -4.092 -2.992 111TIP3 OH2 6641 -3.137 -4.049 -3.922 111TIP3 H1 6642 -3.118 -3.990 -3.995 111TIP3 H2 6643 -3.100 -4.001 -3.846 112TIP3 OH2 6644 -3.369 -2.821 -4.015 112TIP3 H1 6645 -3.455 -2.776 -4.010 112TIP3 H2 6646 -3.322 -2.768 -4.081 113TIP3 OH2 6647 -3.406 -3.851 -3.813 113TIP3 H1 6648 -3.330 -3.790 -3.801 113TIP3 H2 6649 -3.433 -3.867 -3.720 114TIP3 OH2 6650 -3.370 -3.762 -2.899 114TIP3 H1 6651 -3.361 -3.710 -2.817 114TIP3 H2 6652 -3.312 -3.837 -2.883 115TIP3 OH2 6653 -3.328 -4.171 -3.714 115TIP3 H1 6654 -3.361 -4.097 -3.661 115TIP3 H2 6655 -3.274 -4.126 -3.782 116TIP3 OH2 6656 -3.638 -2.705 -4.020 116TIP3 H1 6657 -3.653 -2.623 -4.069 116TIP3 H2 6658 -3.667 -2.680 -3.930 117TIP3 OH2 6659 -3.775 -4.044 -4.072 117TIP3 H1 6660 -3.777 -3.965 -4.015 117TIP3 H2 6661 -3.690 -4.083 -4.043 118TIP3 OH2 6662 -2.732 -3.962 -2.818 118TIP3 H1 6663 -2.828 -3.953 -2.828 118TIP3 H2 6664 -2.710 -3.989 -2.908 119TIP3 OH2 6665 -2.890 -3.574 -3.409 119TIP3 H1 6666 -2.971 -3.620 -3.435 119TIP3 H2 6667 -2.840 -3.644 -3.362 120TIP3 OH2 6668 -3.931 -2.950 -4.155 120TIP3 H1 6669 -3.845 -2.934 -4.113 120TIP3 H2 6670 -3.903 -3.000 -4.234 121TIP3 OH2 6671 -4.098 -3.730 -4.268 121TIP3 H1 6672 -4.103 -3.640 -4.229 121TIP3 H2 6673 -4.191 -3.750 -4.288 122TIP3 OH2 6674 -2.791 -2.682 -3.269 122TIP3 H1 6675 -2.798 -2.601 -3.322 122TIP3 H2 6676 -2.698 -2.679 -3.242 123TIP3 OH2 6677 -4.080 -4.236 -3.352 123TIP3 H1 6678 -4.062 -4.250 -3.447 123TIP3 H2 6679 -4.098 -4.326 -3.324 124TIP3 OH2 6680 -4.133 -2.875 -3.744 124TIP3 H1 6681 -4.227 -2.850 -3.736 124TIP3 H2 6682 -4.109 -2.841 -3.831 125TIP3 OH2 6683 -4.214 -2.605 -2.623 125TIP3 H1 6684 -4.151 -2.604 -2.549 125TIP3 H2 6685 -4.216 -2.701 -2.638 126TIP3 OH2 6686 -3.728 -2.692 -2.451 126TIP3 H1 6687 -3.658 -2.755 -2.429 126TIP3 H2 6688 -3.750 -2.719 -2.541 127TIP3 OH2 6689 -3.307 -2.754 -4.318 127TIP3 H1 6690 -3.388 -2.809 -4.322 127TIP3 H2 6691 -3.242 -2.820 -4.348 128TIP3 OH2 6692 -3.080 -2.864 -2.592 128TIP3 H1 6693 -3.117 -2.946 -2.554 128TIP3 H2 6694 -3.010 -2.842 -2.527 129TIP3 OH2 6695 -2.791 -2.246 3.901 129TIP3 H1 6696 -2.858 -2.280 3.961 129TIP3 H2 6697 -2.712 -2.250 3.957 130TIP3 OH2 6698 -4.200 -3.201 -2.560 130TIP3 H1 6699 -4.190 -3.288 -2.601 130TIP3 H2 6700 -4.286 -3.172 -2.593 131TIP3 OH2 6701 -3.772 -3.177 -4.311 131TIP3 H1 6702 -3.763 -3.245 -4.243 131TIP3 H2 6703 -3.702 -3.200 -4.373 132TIP3 OH2 6704 -3.540 -3.216 -2.582 132TIP3 H1 6705 -3.569 -3.183 -2.669 132TIP3 H2 6706 -3.531 -3.312 -2.597 133TIP3 OH2 6707 -3.259 -3.076 -4.351 133TIP3 H1 6708 -3.229 -3.058 -4.260 133TIP3 H2 6709 -3.192 -3.140 -4.380 134TIP3 OH2 6710 -3.002 -3.254 -2.845 134TIP3 H1 6711 -2.923 -3.201 -2.863 134TIP3 H2 6712 -3.070 -3.185 -2.845 135TIP3 OH2 6713 -4.135 -3.533 -2.583 135TIP3 H1 6714 -4.053 -3.584 -2.597 135TIP3 H2 6715 -4.121 -3.498 -2.494 136TIP3 OH2 6716 -3.674 -3.383 -4.090 136TIP3 H1 6717 -3.735 -3.429 -4.030 136TIP3 H2 6718 -3.639 -3.457 -4.143 137TIP3 OH2 6719 -3.751 -3.609 -2.857 137TIP3 H1 6720 -3.804 -3.529 -2.838 137TIP3 H2 6721 -3.684 -3.573 -2.917 138TIP3 OH2 6722 -3.554 -3.572 -4.277 138TIP3 H1 6723 -3.547 -3.601 -4.369 138TIP3 H2 6724 -3.459 -3.576 -4.251 139TIP3 OH2 6725 -3.220 -3.338 -2.502 139TIP3 H1 6726 -3.129 -3.355 -2.530 139TIP3 H2 6727 -3.243 -3.421 -2.458 140TIP3 OH2 6728 -3.694 -3.881 -2.745 140TIP3 H1 6729 -3.682 -3.944 -2.818 140TIP3 H2 6730 -3.711 -3.799 -2.793 141TIP3 OH2 6731 -3.651 -4.038 -3.003 141TIP3 H1 6732 -3.599 -3.982 -3.064 141TIP3 H2 6733 -3.743 -4.026 -3.036 142TIP3 OH2 6734 -3.503 -3.489 -2.957 142TIP3 H1 6735 -3.418 -3.497 -3.003 142TIP3 H2 6736 -3.532 -3.400 -2.987 143TIP3 OH2 6737 -3.045 -3.694 -2.480 143TIP3 H1 6738 -3.024 -3.786 -2.462 143TIP3 H2 6739 -2.957 -3.654 -2.482 144TIP3 OH2 6740 -2.947 -3.415 -2.631 144TIP3 H1 6741 -2.981 -3.353 -2.698 144TIP3 H2 6742 -2.857 -3.430 -2.666 145TIP3 OH2 6743 -3.882 -3.691 -2.566 145TIP3 H1 6744 -3.928 -3.777 -2.565 145TIP3 H2 6745 -3.797 -3.715 -2.607 146TIP3 OH2 6746 -3.605 -4.277 -2.879 146TIP3 H1 6747 -3.592 -4.187 -2.915 146TIP3 H2 6748 -3.697 -4.291 -2.906 147TIP3 OH2 6749 -3.457 -3.844 -2.586 147TIP3 H1 6750 -3.487 -3.871 -2.497 147TIP3 H2 6751 -3.538 -3.864 -2.636 148TIP3 OH2 6752 -3.198 -3.945 -2.687 148TIP3 H1 6753 -3.286 -3.931 -2.649 148TIP3 H2 6754 -3.160 -4.010 -2.625 149TIP3 OH2 6755 -3.029 -4.136 -2.520 149TIP3 H1 6756 -3.038 -4.224 -2.480 149TIP3 H2 6757 -3.039 -4.077 -2.443 150TIP3 OH2 6758 -4.004 -3.951 -2.577 150TIP3 H1 6759 -4.023 -4.018 -2.645 150TIP3 H2 6760 -4.039 -3.993 -2.497 151TIP3 OH2 6761 -3.495 -4.147 -2.474 151TIP3 H1 6762 -3.517 -4.229 -2.522 151TIP3 H2 6763 -3.580 -4.100 -2.471 152TIP3 OH2 6764 -3.572 -2.404 -4.156 152TIP3 H1 6765 -3.493 -2.456 -4.176 152TIP3 H2 6766 -3.615 -2.392 -4.242 153TIP3 OH2 6767 -4.189 -3.010 -4.239 153TIP3 H1 6768 -4.105 -2.996 -4.191 153TIP3 H2 6769 -4.177 -3.099 -4.275 154TIP3 OH2 6770 -4.271 -2.690 -3.524 154TIP3 H1 6771 -4.276 -2.780 -3.486 154TIP3 H2 6772 -4.244 -2.640 -3.445 155TIP3 OH2 6773 -2.516 -2.567 -3.219 155TIP3 H1 6774 -2.499 -2.575 -3.124 155TIP3 H2 6775 -2.428 -2.544 -3.252 156TIP3 OH2 6776 -2.526 -2.628 -2.933 156TIP3 H1 6777 -2.578 -2.704 -2.966 156TIP3 H2 6778 -2.471 -2.673 -2.867 157TIP3 OH2 6779 -2.726 -3.085 -2.503 157TIP3 H1 6780 -2.814 -3.077 -2.462 157TIP3 H2 6781 -2.681 -3.005 -2.472 158TIP3 OH2 6782 -2.578 -3.217 -3.939 158TIP3 H1 6783 -2.495 -3.169 -3.922 158TIP3 H2 6784 -2.586 -3.268 -3.856 159TIP3 OH2 6785 -2.543 -3.399 -3.728 159TIP3 H1 6786 -2.606 -3.459 -3.684 159TIP3 H2 6787 -2.471 -3.388 -3.662 160TIP3 OH2 6788 -2.571 -3.150 -3.239 160TIP3 H1 6789 -2.503 -3.197 -3.289 160TIP3 H2 6790 -2.553 -3.057 -3.263 161TIP3 OH2 6791 -2.693 -2.853 -3.008 161TIP3 H1 6792 -2.767 -2.816 -2.956 161TIP3 H2 6793 -2.741 -2.892 -3.084 162TIP3 OH2 6794 -2.516 -3.435 -4.107 162TIP3 H1 6795 -2.569 -3.397 -4.178 162TIP3 H2 6796 -2.530 -3.366 -4.039 163TIP3 OH2 6797 -2.695 -3.696 -4.221 163TIP3 H1 6798 -2.656 -3.621 -4.270 163TIP3 H2 6799 -2.647 -3.770 -4.259 164TIP3 OH2 6800 -2.746 -3.585 -3.648 164TIP3 H1 6801 -2.754 -3.679 -3.668 164TIP3 H2 6802 -2.783 -3.579 -3.558 165TIP3 OH2 6803 -4.257 -3.336 -3.254 165TIP3 H1 6804 -4.222 -3.313 -3.341 165TIP3 H2 6805 -4.177 -3.377 -3.213 166TIP3 OH2 6806 -2.686 -3.393 -2.736 166TIP3 H1 6807 -2.613 -3.455 -2.718 166TIP3 H2 6808 -2.640 -3.310 -2.754 167TIP3 OH2 6809 -2.531 -3.583 -2.615 167TIP3 H1 6810 -2.610 -3.637 -2.637 167TIP3 H2 6811 -2.461 -3.651 -2.616 168TIP3 OH2 6812 -2.767 -4.028 -4.341 168TIP3 H1 6813 -2.708 -4.042 -4.266 168TIP3 H2 6814 -2.855 -4.045 -4.306 169TIP3 OH2 6815 -2.769 -3.826 -3.835 169TIP3 H1 6816 -2.749 -3.922 -3.827 169TIP3 H2 6817 -2.685 -3.793 -3.872 170TIP3 OH2 6818 -2.737 -3.772 -3.292 170TIP3 H1 6819 -2.640 -3.767 -3.293 170TIP3 H2 6820 -2.752 -3.776 -3.196 171TIP3 OH2 6821 -2.723 -3.706 -3.007 171TIP3 H1 6822 -2.807 -3.664 -2.980 171TIP3 H2 6823 -2.668 -3.629 -3.028 172TIP3 OH2 6824 -4.282 -3.838 -2.627 172TIP3 H1 6825 -4.199 -3.880 -2.654 172TIP3 H2 6826 -4.346 -3.911 -2.626 173TIP3 OH2 6827 -2.508 -4.278 -2.429 173TIP3 H1 6828 -2.453 -4.354 -2.450 173TIP3 H2 6829 -2.503 -4.218 -2.507 174TIP3 OH2 6830 -2.734 -4.097 -3.822 174TIP3 H1 6831 -2.707 -4.147 -3.744 174TIP3 H2 6832 -2.795 -4.160 -3.865 175TIP3 OH2 6833 -4.194 -3.988 -3.337 175TIP3 H1 6834 -4.162 -4.080 -3.330 175TIP3 H2 6835 -4.114 -3.937 -3.314 176TIP3 OH2 6836 -4.334 -3.727 -3.245 176TIP3 H1 6837 -4.294 -3.777 -3.318 176TIP3 H2 6838 -4.316 -3.636 -3.272 177TIP3 OH2 6839 -2.527 -4.111 -2.645 177TIP3 H1 6840 -2.612 -4.065 -2.636 177TIP3 H2 6841 -2.537 -4.147 -2.735 178TIP3 OH2 6842 -2.515 -4.072 -4.175 178TIP3 H1 6843 -2.488 -4.146 -4.231 178TIP3 H2 6844 -2.434 -4.019 -4.171 179TIP3 OH2 6845 -4.315 -4.105 -3.887 179TIP3 H1 6846 -4.398 -4.074 -3.926 179TIP3 H2 6847 -4.253 -4.038 -3.924 180TIP3 OH2 6848 -2.772 -2.560 -3.678 180TIP3 H1 6849 -2.696 -2.565 -3.612 180TIP3 H2 6850 -2.843 -2.523 -3.618 181TIP3 OH2 6851 -4.292 -4.164 -3.053 181TIP3 H1 6852 -4.351 -4.224 -3.002 181TIP3 H2 6853 -4.329 -4.166 -3.142 182TIP3 OH2 6854 -4.117 -2.863 -2.589 182TIP3 H1 6855 -4.171 -2.924 -2.640 182TIP3 H2 6856 -4.132 -2.896 -2.498 183TIP3 OH2 6857 -3.803 -2.798 -2.998 183TIP3 H1 6858 -3.834 -2.714 -3.035 183TIP3 H2 6859 -3.707 -2.789 -3.016 184TIP3 OH2 6860 -3.350 -2.670 -2.700 184TIP3 H1 6861 -3.339 -2.685 -2.604 184TIP3 H2 6862 -3.269 -2.621 -2.723 185TIP3 OH2 6863 -3.118 -2.523 -2.776 185TIP3 H1 6864 -3.050 -2.593 -2.788 185TIP3 H2 6865 -3.091 -2.486 -2.690 186TIP3 OH2 6866 -2.665 -4.275 -2.854 186TIP3 H1 6867 -2.716 -4.215 -2.911 186TIP3 H2 6868 -2.641 -4.343 -2.919 187TIP3 OH2 6869 -4.070 -2.492 -2.975 187TIP3 H1 6870 -4.139 -2.442 -3.022 187TIP3 H2 6871 -4.100 -2.483 -2.884 188TIP3 OH2 6872 -3.820 -2.526 -3.111 188TIP3 H1 6873 -3.905 -2.506 -3.068 188TIP3 H2 6874 -3.816 -2.459 -3.181 189TIP3 OH2 6875 -3.353 -2.400 -3.183 189TIP3 H1 6876 -3.395 -2.350 -3.166 189TIP3 H2 6877 -3.303 -2.439 -3.109 190TIP3 OH2 6878 -3.109 -2.650 -3.052 190TIP3 H1 6879 -3.181 -2.629 -3.114 190TIP3 H2 6880 -3.047 -2.578 -3.066 191TIP3 OH2 6881 -2.859 -2.480 -3.046 191TIP3 H1 6882 -2.858 -2.385 -3.068 191TIP3 H2 6883 -2.826 -2.519 -3.129 192TIP3 OH2 6884 -4.125 -2.616 -3.276 192TIP3 H1 6885 -4.135 -2.661 -3.190 192TIP3 H2 6886 -4.049 -2.664 -3.313 193TIP3 OH2 6887 -3.907 -2.746 -3.431 193TIP3 H1 6888 -3.926 -2.836 -3.398 193TIP3 H2 6889 -3.819 -2.728 -3.390 194TIP3 OH2 6890 -3.643 -2.718 -3.340 194TIP3 H1 6891 -3.616 -2.810 -3.352 194TIP3 H2 6892 -3.623 -2.702 -3.247 195TIP3 OH2 6893 -3.301 -4.112 -3.412 195TIP3 H1 6894 -3.362 -4.183 -3.383 195TIP3 H2 6895 -3.239 -4.162 -3.468 196TIP3 OH2 6896 -2.771 -4.329 -3.365 196TIP3 H1 6897 -2.712 -4.290 -3.430 196TIP3 H2 6898 -2.859 -4.305 -3.398 197TIP3 OH2 6899 -2.578 -4.223 -3.584 197TIP3 H1 6900 -2.522 -4.247 -3.658 197TIP3 H2 6901 -2.557 -4.129 -3.570 198TIP3 OH2 6902 -4.076 -4.279 -3.668 198TIP3 H1 6903 -4.158 -4.313 -3.705 198TIP3 H2 6904 -4.025 -4.359 -3.651 199TIP3 OH2 6905 -4.198 -4.290 -4.075 199TIP3 H1 6906 -4.164 -4.223 -4.138 199TIP3 H2 6907 -4.251 -4.234 -4.015 200TIP3 OH2 6908 -3.613 -4.222 -3.650 200TIP3 H1 6909 -3.520 -4.233 -3.671 200TIP3 H2 6910 -3.633 -4.296 -3.592 201TIP3 OH2 6911 -3.061 -4.264 -3.516 201TIP3 H1 6912 -3.026 -4.262 -3.606 201TIP3 H2 6913 -3.072 -4.359 -3.499 202TIP3 OH2 6914 -2.953 -4.271 -3.915 202TIP3 H1 6915 -3.027 -4.215 -3.944 202TIP3 H2 6916 -2.990 -4.360 -3.920 203TIP3 OH2 6917 -4.179 -2.688 -3.987 203TIP3 H1 6918 -4.260 -2.707 -4.034 203TIP3 H2 6919 -4.186 -2.593 -3.971 204TIP3 OH2 6920 -4.012 -4.111 -4.224 204TIP3 H1 6921 -3.957 -4.160 -4.287 204TIP3 H2 6922 -3.944 -4.063 -4.174 205TIP3 OH2 6923 -3.494 -4.057 -3.985 205TIP3 H1 6924 -3.482 -4.142 -3.938 205TIP3 H2 6925 -3.470 -3.991 -3.917 206TIP3 OH2 6926 -3.298 -2.530 -4.133 206TIP3 H1 6927 -3.205 -2.507 -4.147 206TIP3 H2 6928 -3.311 -2.596 -4.203 207TIP3 OH2 6929 -2.617 -2.611 -3.899 207TIP3 H1 6930 -2.654 -2.692 -3.937 207TIP3 H2 6931 -2.651 -2.541 -3.960 208TIP3 OH2 6932 -4.111 -4.176 -2.733 208TIP3 H1 6933 -4.159 -4.245 -2.683 208TIP3 H2 6934 -4.027 -4.224 -2.747 209TIP3 OH2 6935 -3.809 -4.278 -2.473 209TIP3 H1 6936 -3.722 -4.303 -2.512 209TIP3 H2 6937 -3.827 -4.355 -2.418 210TIP3 OH2 6938 -3.961 -2.583 -4.238 210TIP3 H1 6939 -4.021 -2.564 -4.165 210TIP3 H2 6940 -3.928 -2.671 -4.218 211TIP3 OH2 6941 -2.692 -2.734 -2.643 211TIP3 H1 6942 -2.768 -2.753 -2.701 211TIP3 H2 6943 -2.711 -2.641 -2.620 212TIP3 OH2 6944 -1.273 -3.367 -3.629 212TIP3 H1 6945 -1.276 -3.270 -3.616 212TIP3 H2 6946 -1.352 -3.381 -3.684 213TIP3 OH2 6947 -1.388 -3.423 -3.320 213TIP3 H1 6948 -1.391 -3.478 -3.241 213TIP3 H2 6949 -1.417 -3.485 -3.388 214TIP3 OH2 6950 -2.141 -3.464 -3.153 214TIP3 H1 6951 -2.144 -3.539 -3.091 214TIP3 H2 6952 -2.072 -3.410 -3.114 215TIP3 OH2 6953 -1.019 -3.150 -3.488 215TIP3 H1 6954 -1.059 -3.220 -3.435 215TIP3 H2 6955 -0.995 -3.086 -3.420 216TIP3 OH2 6956 -2.076 -2.999 -3.304 216TIP3 H1 6957 -2.100 -3.091 -3.329 216TIP3 H2 6958 -1.983 -3.012 -3.280 217TIP3 OH2 6959 -2.376 -3.662 -3.763 217TIP3 H1 6960 -2.414 -3.574 -3.752 217TIP3 H2 6961 -2.448 -3.709 -3.807 218TIP3 OH2 6962 -2.297 -3.415 -3.580 218TIP3 H1 6963 -2.281 -3.497 -3.530 218TIP3 H2 6964 -2.213 -3.403 -3.625 219TIP3 OH2 6965 -1.314 -2.612 -3.431 219TIP3 H1 6966 -1.257 -2.684 -3.463 219TIP3 H2 6967 -1.343 -2.645 -3.346 220TIP3 OH2 6968 -1.541 -3.171 -3.264 220TIP3 H1 6969 -1.508 -3.243 -3.321 220TIP3 H2 6970 -1.460 -3.156 -3.211 221TIP3 OH2 6971 -0.687 -4.013 -3.209 221TIP3 H1 6972 -0.651 -3.977 -3.126 221TIP3 H2 6973 -0.617 -3.988 -3.271 222TIP3 OH2 6974 -1.211 -3.740 -3.212 222TIP3 H1 6975 -1.193 -3.835 -3.210 222TIP3 H2 6976 -1.221 -3.725 -3.307 223TIP3 OH2 6977 -1.917 -3.941 -3.502 223TIP3 H1 6978 -1.899 -3.856 -3.548 223TIP3 H2 6979 -1.949 -3.995 -3.577 224TIP3 OH2 6980 -1.128 -3.922 -3.671 224TIP3 H1 6981 -1.068 -3.967 -3.607 224TIP3 H2 6982 -1.063 -3.878 -3.728 225TIP3 OH2 6983 -2.244 -3.662 -3.455 225TIP3 H1 6984 -2.184 -3.711 -3.396 225TIP3 H2 6985 -2.236 -3.713 -3.537 226TIP3 OH2 6986 -1.706 -3.525 -3.509 226TIP3 H1 6987 -1.636 -3.581 -3.469 226TIP3 H2 6988 -1.757 -3.592 -3.558 227TIP3 OH2 6989 -0.591 -3.845 -2.942 227TIP3 H1 6990 -0.670 -3.798 -2.974 227TIP3 H2 6991 -0.627 -3.892 -2.866 228TIP3 OH2 6992 -2.034 -4.056 -3.087 228TIP3 H1 6993 -2.069 -4.001 -3.159 228TIP3 H2 6994 -2.101 -4.037 -3.018 229TIP3 OH2 6995 -1.283 -3.081 -3.751 229TIP3 H1 6996 -1.314 -3.102 -3.840 229TIP3 H2 6997 -1.330 -2.998 -3.732 230TIP3 OH2 6998 -1.740 -3.269 -3.076 230TIP3 H1 6999 -1.814 -3.211 -3.050 230TIP3 H2 7000 -1.679 -3.207 -3.120 231TIP3 OH2 7001 -0.938 -4.012 -3.468 231TIP3 H1 7002 -0.985 -4.062 -3.400 231TIP3 H2 7003 -0.887 -3.950 -3.413 232TIP3 OH2 7004 -2.074 -3.855 -3.293 232TIP3 H1 7005 -2.010 -3.795 -3.249 232TIP3 H2 7006 -2.017 -3.890 -3.365 233TIP3 OH2 7007 -1.942 -3.083 -3.005 233TIP3 H1 7008 -1.945 -2.990 -3.034 233TIP3 H2 7009 -2.028 -3.089 -2.960 234TIP3 OH2 7010 -2.311 -3.113 -3.917 234TIP3 H1 7011 -2.327 -3.072 -4.004 234TIP3 H2 7012 -2.296 -3.036 -3.858 235TIP3 OH2 7013 -0.963 -2.968 -3.240 235TIP3 H1 7014 -1.060 -2.957 -3.235 235TIP3 H2 7015 -0.938 -2.881 -3.275 236TIP3 OH2 7016 -0.923 -4.108 -3.065 236TIP3 H1 7017 -1.004 -4.078 -3.109 236TIP3 H2 7018 -0.857 -4.097 -3.136 237TIP3 OH2 7019 -1.612 4.381 -3.363 237TIP3 H1 7020 -1.615 4.286 -3.353 237TIP3 H2 7021 -1.700 4.412 -3.332 238TIP3 OH2 7022 -1.135 -2.774 -3.581 238TIP3 H1 7023 -1.087 -2.852 -3.614 238TIP3 H2 7024 -1.068 -2.704 -3.593 239TIP3 OH2 7025 -0.988 -2.989 -3.721 239TIP3 H1 7026 -1.045 -3.031 -3.787 239TIP3 H2 7027 -0.995 -3.051 -3.646 240TIP3 OH2 7028 -0.833 -3.105 -2.871 240TIP3 H1 7029 -0.848 -3.170 -2.942 240TIP3 H2 7030 -0.826 -3.021 -2.920 241TIP3 OH2 7031 -1.407 -3.418 -3.906 241TIP3 H1 7032 -1.473 -3.354 -3.938 241TIP3 H2 7033 -1.335 -3.406 -3.970 242TIP3 OH2 7034 -1.388 -3.593 -4.208 242TIP3 H1 7035 -1.321 -3.563 -4.145 242TIP3 H2 7036 -1.334 -3.654 -4.263 243TIP3 OH2 7037 -0.651 -3.480 -3.087 243TIP3 H1 7038 -0.729 -3.422 -3.071 243TIP3 H2 7039 -0.621 -3.447 -3.173 244TIP3 OH2 7040 -1.058 -3.414 -3.794 244TIP3 H1 7041 -1.128 -3.392 -3.729 244TIP3 H2 7042 -1.001 -3.472 -3.741 245TIP3 OH2 7043 -1.073 -3.561 -2.910 245TIP3 H1 7044 -1.070 -3.480 -2.857 245TIP3 H2 7045 -1.140 -3.533 -2.976 246TIP3 OH2 7046 -1.899 -3.337 -3.615 246TIP3 H1 7047 -1.930 -3.380 -3.698 246TIP3 H2 7048 -1.834 -3.402 -3.582 247TIP3 OH2 7049 -1.762 -2.996 -3.342 247TIP3 H1 7050 -1.774 -3.036 -3.430 247TIP3 H2 7051 -1.683 -3.043 -3.309 248TIP3 OH2 7052 -1.839 -3.457 -3.267 248TIP3 H1 7053 -1.782 -3.453 -3.346 248TIP3 H2 7054 -1.801 -3.389 -3.208 249TIP3 OH2 7055 -1.242 -2.906 -3.209 249TIP3 H1 7056 -1.243 -2.838 -3.139 249TIP3 H2 7057 -1.269 -2.987 -3.162 250TIP3 OH2 7058 -1.756 -3.024 -2.784 250TIP3 H1 7059 -1.807 -2.958 -2.734 250TIP3 H2 7060 -1.821 -3.051 -2.852 251TIP3 OH2 7061 -1.149 -3.470 -4.056 251TIP3 H1 7062 -1.109 -3.443 -3.971 251TIP3 H2 7063 -1.092 -3.424 -4.120 252TIP3 OH2 7064 -2.063 -3.384 -2.872 252TIP3 H1 7065 -2.058 -3.327 -2.793 252TIP3 H2 7066 -2.159 -3.398 -2.879 253TIP3 OH2 7067 -1.418 -2.810 -3.693 253TIP3 H1 7068 -1.369 -2.780 -3.616 253TIP3 H2 7069 -1.465 -2.730 -3.721 254TIP3 OH2 7070 -1.946 -2.806 -2.701 254TIP3 H1 7071 -1.958 -2.803 -2.798 254TIP3 H2 7072 -2.034 -2.833 -2.668 255TIP3 OH2 7073 -0.827 -4.339 -4.124 255TIP3 H1 7074 -0.878 -4.330 -4.042 255TIP3 H2 7075 -0.766 -4.265 -4.115 256TIP3 OH2 7076 -2.006 -3.462 -3.863 256TIP3 H1 7077 -2.030 -3.386 -3.919 256TIP3 H2 7078 -2.073 -3.527 -3.888 257TIP3 OH2 7079 -0.708 -2.885 -4.244 257TIP3 H1 7080 -0.684 -2.795 -4.217 257TIP3 H2 7081 -0.622 -2.931 -4.241 258TIP3 OH2 7082 -2.401 -3.196 -2.990 258TIP3 H1 7083 -2.445 -3.199 -3.077 258TIP3 H2 7084 -2.387 -3.291 -2.972 259TIP3 OH2 7085 -2.395 -2.904 -3.296 259TIP3 H1 7086 -2.303 -2.932 -3.292 259TIP3 H2 7087 -2.399 -2.844 -3.220 260TIP3 OH2 7088 -0.557 -2.842 -2.719 260TIP3 H1 7089 -0.568 -2.937 -2.737 260TIP3 H2 7090 -0.648 -2.818 -2.691 261TIP3 OH2 7091 -1.492 -2.919 -2.840 261TIP3 H1 7092 -1.485 -2.837 -2.787 261TIP3 H2 7093 -1.582 -2.950 -2.817 262TIP3 OH2 7094 -1.459 -2.539 -3.845 262TIP3 H1 7095 -1.465 -2.531 -3.942 262TIP3 H2 7096 -1.456 -2.447 -3.815 263TIP3 OH2 7097 -2.085 -2.623 -3.679 263TIP3 H1 7098 -2.067 -2.669 -3.594 263TIP3 H2 7099 -2.167 -2.667 -3.705 264TIP3 OH2 7100 -1.138 -2.562 -4.108 264TIP3 H1 7101 -1.101 -2.622 -4.177 264TIP3 H2 7102 -1.147 -2.624 -4.033 265TIP3 OH2 7103 -1.192 -2.659 -3.857 265TIP3 H1 7104 -1.285 -2.638 -3.838 265TIP3 H2 7105 -1.173 -2.725 -3.788 266TIP3 OH2 7106 -0.876 -3.707 -2.681 266TIP3 H1 7107 -0.930 -3.670 -2.752 266TIP3 H2 7108 -0.870 -3.801 -2.708 267TIP3 OH2 7109 -2.181 -3.041 -2.866 267TIP3 H1 7110 -2.155 -3.087 -2.784 267TIP3 H2 7111 -2.255 -3.096 -2.898 268TIP3 OH2 7112 -1.860 -4.219 -3.274 268TIP3 H1 7113 -1.943 -4.243 -3.319 268TIP3 H2 7114 -1.887 -4.136 -3.231 269TIP3 OH2 7115 -1.406 -4.260 -2.915 269TIP3 H1 7116 -1.385 -4.311 -2.836 269TIP3 H2 7117 -1.500 -4.278 -2.926 270TIP3 OH2 7118 -1.107 -3.862 -2.873 270TIP3 H1 7119 -1.166 -3.875 -2.797 270TIP3 H2 7120 -1.115 -3.767 -2.891 271TIP3 OH2 7121 -0.917 -3.391 -4.256 271TIP3 H1 7122 -0.978 -3.405 -4.330 271TIP3 H2 7123 -0.901 -3.296 -4.267 272TIP3 OH2 7124 -1.441 -3.999 -4.217 272TIP3 H1 7125 -1.496 -3.994 -4.136 272TIP3 H2 7126 -1.492 -4.066 -4.265 273TIP3 OH2 7127 -1.877 -3.716 -3.148 273TIP3 H1 7128 -1.935 -3.703 -3.071 273TIP3 H2 7129 -1.869 -3.624 -3.183 274TIP3 OH2 7130 -1.882 -3.708 -3.659 274TIP3 H1 7131 -1.977 -3.719 -3.675 274TIP3 H2 7132 -1.847 -3.727 -3.749 275TIP3 OH2 7133 -1.313 -3.653 -3.786 275TIP3 H1 7134 -1.355 -3.571 -3.818 275TIP3 H2 7135 -1.251 -3.673 -3.857 276TIP3 OH2 7136 -1.401 -3.632 -2.649 276TIP3 H1 7137 -1.453 -3.706 -2.611 276TIP3 H2 7138 -1.315 -3.644 -2.605 277TIP3 OH2 7139 -1.234 -3.711 -3.505 277TIP3 H1 7140 -1.263 -3.654 -3.579 277TIP3 H2 7141 -1.214 -3.793 -3.555 278TIP3 OH2 7142 -2.140 -3.697 -2.966 278TIP3 H1 7143 -2.113 -3.669 -2.877 278TIP3 H2 7144 -2.179 -3.784 -2.946 279TIP3 OH2 7145 -1.769 -3.959 -4.317 279TIP3 H1 7146 -1.799 -3.987 -4.228 279TIP3 H2 7147 -1.845 -3.905 -4.346 280TIP3 OH2 7148 -2.460 -3.956 -3.602 280TIP3 H1 7149 -2.403 -3.956 -3.523 280TIP3 H2 7150 -2.404 -3.994 -3.670 281TIP3 OH2 7151 -2.303 -3.911 -4.038 281TIP3 H1 7152 -2.246 -3.862 -4.100 281TIP3 H2 7153 -2.369 -3.842 -4.016 282TIP3 OH2 7154 -1.324 -3.543 -3.057 282TIP3 H1 7155 -1.282 -3.617 -3.108 282TIP3 H2 7156 -1.360 -3.591 -2.981 283TIP3 OH2 7157 -1.605 -3.941 -3.560 283TIP3 H1 7158 -1.698 -3.959 -3.539 283TIP3 H2 7159 -1.561 -3.973 -3.479 284TIP3 OH2 7160 -2.147 -3.828 -3.690 284TIP3 H1 7161 -2.229 -3.800 -3.735 284TIP3 H2 7162 -2.120 -3.909 -3.737 285TIP3 OH2 7163 -1.788 -3.785 -3.921 285TIP3 H1 7164 -1.691 -3.783 -3.917 285TIP3 H2 7165 -1.811 -3.729 -3.997 286TIP3 OH2 7166 -1.171 -4.032 -3.256 286TIP3 H1 7167 -1.234 -4.035 -3.181 286TIP3 H2 7168 -1.228 -4.064 -3.327 287TIP3 OH2 7169 -1.926 -3.676 -4.157 287TIP3 H1 7170 -1.992 -3.721 -4.213 287TIP3 H2 7171 -1.856 -3.653 -4.220 288TIP3 OH2 7172 -0.864 -2.456 -2.587 288TIP3 H1 7173 -0.846 -2.411 -2.672 288TIP3 H2 7174 -0.790 -2.426 -2.533 289TIP3 OH2 7175 -2.074 -3.194 -2.647 289TIP3 H1 7176 -2.007 -3.186 -2.576 289TIP3 H2 7177 -2.155 -3.197 -2.591 290TIP3 OH2 7178 -1.502 -3.693 -3.373 290TIP3 H1 7179 -1.432 -3.739 -3.422 290TIP3 H2 7180 -1.521 -3.756 -3.301 291TIP3 OH2 7181 -1.988 -4.066 -3.757 291TIP3 H1 7182 -2.034 -4.151 -3.743 291TIP3 H2 7183 -1.901 -4.095 -3.788 292TIP3 OH2 7184 -1.606 -3.848 -3.150 292TIP3 H1 7185 -1.683 -3.788 -3.148 292TIP3 H2 7186 -1.557 -3.822 -3.069 293TIP3 OH2 7187 -1.591 -3.212 -3.960 293TIP3 H1 7188 -1.669 -3.260 -3.994 293TIP3 H2 7189 -1.611 -3.205 -3.864 294TIP3 OH2 7190 -0.868 -3.296 -3.088 294TIP3 H1 7191 -0.821 -3.240 -3.153 294TIP3 H2 7192 -0.955 -3.307 -3.131 295TIP3 OH2 7193 -1.171 -3.929 -4.187 295TIP3 H1 7194 -1.268 -3.937 -4.188 295TIP3 H2 7195 -1.153 -3.856 -4.126 296TIP3 OH2 7196 -1.426 -3.208 -2.829 296TIP3 H1 7197 -1.458 -3.241 -2.743 296TIP3 H2 7198 -1.459 -3.116 -2.828 297TIP3 OH2 7199 -1.115 -3.749 -3.988 297TIP3 H1 7200 -1.029 -3.765 -3.945 297TIP3 H2 7201 -1.102 -3.661 -4.029 298TIP3 OH2 7202 -2.078 -3.270 -3.378 298TIP3 H1 7203 -2.022 -3.282 -3.457 298TIP3 H2 7204 -2.068 -3.356 -3.334 299TIP3 OH2 7205 -1.343 -3.076 -4.064 299TIP3 H1 7206 -1.374 -2.987 -4.038 299TIP3 H2 7207 -1.423 -3.128 -4.047 300TIP3 OH2 7208 -2.353 -3.443 -2.852 300TIP3 H1 7209 -2.336 -3.487 -2.766 300TIP3 H2 7210 -2.412 -3.506 -2.897 301TIP3 OH2 7211 -1.655 -3.491 -2.654 301TIP3 H1 7212 -1.690 -3.518 -2.741 301TIP3 H2 7213 -1.562 -3.520 -2.662 302TIP3 OH2 7214 -1.201 -2.948 -2.881 302TIP3 H1 7215 -1.298 -2.941 -2.888 302TIP3 H2 7216 -1.186 -2.924 -2.788 303TIP3 OH2 7217 -0.640 -3.735 -3.998 303TIP3 H1 7218 -0.704 -3.760 -4.068 303TIP3 H2 7219 -0.635 -3.640 -4.018 304TIP3 OH2 7220 -0.603 -3.140 -2.723 304TIP3 H1 7221 -0.696 -3.119 -2.743 304TIP3 H2 7222 -0.568 -3.158 -2.812 305TIP3 OH2 7223 -0.817 -2.882 -3.987 305TIP3 H1 7224 -0.852 -2.959 -3.941 305TIP3 H2 7225 -0.791 -2.917 -4.074 306TIP3 OH2 7226 -1.103 -3.351 -3.257 306TIP3 H1 7227 -1.197 -3.366 -3.280 306TIP3 H2 7228 -1.061 -3.423 -3.306 307TIP3 OH2 7229 -1.840 -2.942 -3.653 307TIP3 H1 7230 -1.799 -2.855 -3.665 307TIP3 H2 7231 -1.932 -2.924 -3.676 308TIP3 OH2 7232 -2.234 -3.451 -4.198 308TIP3 H1 7233 -2.178 -3.385 -4.154 308TIP3 H2 7234 -2.323 -3.427 -4.166 309TIP3 OH2 7235 -1.657 -3.173 -3.690 309TIP3 H1 7236 -1.687 -3.082 -3.676 309TIP3 H2 7237 -1.728 -3.223 -3.647 310TIP3 OH2 7238 -1.641 -2.747 -3.055 310TIP3 H1 7239 -1.585 -2.672 -3.082 310TIP3 H2 7240 -1.580 -2.796 -2.998 311TIP3 OH2 7241 -1.796 -2.653 -3.730 311TIP3 H1 7242 -1.892 -2.638 -3.726 311TIP3 H2 7243 -1.762 -2.564 -3.708 312TIP3 OH2 7244 -1.300 -3.172 -3.098 312TIP3 H1 7245 -1.330 -3.199 -3.009 312TIP3 H2 7246 -1.227 -3.234 -3.114 313TIP3 OH2 7247 -1.086 -3.033 -4.199 313TIP3 H1 7248 -1.036 -3.079 -4.128 313TIP3 H2 7249 -1.176 -3.051 -4.168 314TIP3 OH2 7250 -1.004 -2.716 -2.860 314TIP3 H1 7251 -1.081 -2.761 -2.899 314TIP3 H2 7252 -0.997 -2.635 -2.915 315TIP3 OH2 7253 -0.594 -2.593 -4.153 315TIP3 H1 7254 -0.525 -2.525 -4.139 315TIP3 H2 7255 -0.676 -2.541 -4.137 316TIP3 OH2 7256 -2.219 -3.961 -2.894 316TIP3 H1 7257 -2.310 -3.944 -2.925 316TIP3 H2 7258 -2.234 -4.047 -2.848 317TIP3 OH2 7259 -0.983 -3.185 -3.973 317TIP3 H1 7260 -1.014 -3.251 -3.908 317TIP3 H2 7261 -0.887 -3.187 -3.958 318TIP3 OH2 7262 -2.244 -2.803 -3.051 318TIP3 H1 7263 -2.215 -2.894 -3.033 318TIP3 H2 7264 -2.224 -2.762 -2.966 319TIP3 OH2 7265 -1.627 -2.951 -4.328 319TIP3 H1 7266 -1.597 -3.041 -4.351 319TIP3 H2 7267 -1.685 -2.970 -4.252 320TIP3 OH2 7268 -1.779 -2.986 -4.076 320TIP3 H1 7269 -1.726 -3.036 -4.013 320TIP3 H2 7270 -1.759 -2.893 -4.050 321TIP3 OH2 7271 -2.091 -3.248 -4.033 321TIP3 H1 7272 -2.167 -3.206 -3.988 321TIP3 H2 7273 -2.047 -3.170 -4.071 322TIP3 OH2 7274 -1.330 -4.008 -3.026 322TIP3 H1 7275 -1.267 -3.982 -2.957 322TIP3 H2 7276 -1.366 -4.092 -2.992 323TIP3 OH2 7277 -1.253 -4.049 -3.922 323TIP3 H1 7278 -1.232 -3.991 -3.997 323TIP3 H2 7279 -1.214 -4.000 -3.847 324TIP3 OH2 7280 -1.482 -2.826 -4.025 324TIP3 H1 7281 -1.563 -2.776 -4.005 324TIP3 H2 7282 -1.434 -2.762 -4.080 325TIP3 OH2 7283 -1.518 -3.849 -3.812 325TIP3 H1 7284 -1.442 -3.790 -3.798 325TIP3 H2 7285 -1.548 -3.866 -3.721 326TIP3 OH2 7286 -1.481 -3.759 -2.901 326TIP3 H1 7287 -1.475 -3.710 -2.817 326TIP3 H2 7288 -1.428 -3.837 -2.882 327TIP3 OH2 7289 -1.442 -4.171 -3.714 327TIP3 H1 7290 -1.475 -4.096 -3.662 327TIP3 H2 7291 -1.389 -4.126 -3.782 328TIP3 OH2 7292 -1.756 -2.709 -4.023 328TIP3 H1 7293 -1.765 -2.625 -4.074 328TIP3 H2 7294 -1.776 -2.679 -3.933 329TIP3 OH2 7295 -1.889 -4.043 -4.075 329TIP3 H1 7296 -1.894 -3.966 -4.015 329TIP3 H2 7297 -1.806 -4.084 -4.044 330TIP3 OH2 7298 -0.845 -3.962 -2.819 330TIP3 H1 7299 -0.942 -3.952 -2.827 330TIP3 H2 7300 -0.826 -3.992 -2.909 331TIP3 OH2 7301 -1.002 -3.574 -3.413 331TIP3 H1 7302 -1.085 -3.619 -3.437 331TIP3 H2 7303 -0.954 -3.645 -3.364 332TIP3 OH2 7304 -2.056 -2.950 -4.155 332TIP3 H1 7305 -1.971 -2.924 -4.115 332TIP3 H2 7306 -2.025 -2.995 -4.235 333TIP3 OH2 7307 -2.228 -3.734 -4.251 333TIP3 H1 7308 -2.214 -3.638 -4.238 333TIP3 H2 7309 -2.317 -3.734 -4.290 334TIP3 OH2 7310 -0.901 -2.690 -3.270 334TIP3 H1 7311 -0.920 -2.609 -3.320 334TIP3 H2 7312 -0.808 -2.673 -3.245 335TIP3 OH2 7313 -2.221 -4.242 -3.353 335TIP3 H1 7314 -2.180 -4.244 -3.441 335TIP3 H2 7315 -2.201 -4.332 -3.325 336TIP3 OH2 7316 -2.250 -2.883 -3.743 336TIP3 H1 7317 -2.331 -2.834 -3.727 336TIP3 H2 7318 -2.214 -2.837 -3.820 337TIP3 OH2 7319 -2.311 -2.598 -2.630 337TIP3 H1 7320 -2.253 -2.625 -2.556 337TIP3 H2 7321 -2.350 -2.684 -2.656 338TIP3 OH2 7322 -1.839 -2.689 -2.451 338TIP3 H1 7323 -1.774 -2.756 -2.428 338TIP3 H2 7324 -1.865 -2.718 -2.541 339TIP3 OH2 7325 -1.418 -2.754 -4.326 339TIP3 H1 7326 -1.502 -2.805 -4.332 339TIP3 H2 7327 -1.355 -2.821 -4.356 340TIP3 OH2 7328 -1.192 -2.867 -2.594 340TIP3 H1 7329 -1.235 -2.946 -2.556 340TIP3 H2 7330 -1.127 -2.844 -2.526 341TIP3 OH2 7331 -1.057 -2.757 -4.278 341TIP3 H1 7332 -1.057 -2.851 -4.253 341TIP3 H2 7333 -0.991 -2.751 -4.347 342TIP3 OH2 7334 -2.315 -3.235 -2.517 342TIP3 H1 7335 -2.307 -3.326 -2.550 342TIP3 H2 7336 -2.393 -3.204 -2.568 343TIP3 OH2 7337 -1.899 -3.204 -4.308 343TIP3 H1 7338 -1.854 -3.244 -4.232 343TIP3 H2 7339 -1.828 -3.179 -4.370 344TIP3 OH2 7340 -1.651 -3.215 -2.583 344TIP3 H1 7341 -1.684 -3.183 -2.669 344TIP3 H2 7342 -1.645 -3.312 -2.597 345TIP3 OH2 7343 -1.335 -3.081 4.296 345TIP3 H1 7344 -1.346 -3.064 4.389 345TIP3 H2 7345 -1.342 -3.177 4.290 346TIP3 OH2 7346 -1.116 -3.255 -2.844 346TIP3 H1 7347 -1.039 -3.198 -2.862 346TIP3 H2 7348 -1.188 -3.190 -2.845 347TIP3 OH2 7349 -2.229 -3.522 -2.600 347TIP3 H1 7350 -2.155 -3.586 -2.598 347TIP3 H2 7351 -2.234 -3.499 -2.506 348TIP3 OH2 7352 -1.784 -3.384 -4.093 348TIP3 H1 7353 -1.848 -3.426 -4.033 348TIP3 H2 7354 -1.753 -3.461 -4.145 349TIP3 OH2 7355 -1.865 -3.609 -2.857 349TIP3 H1 7356 -1.918 -3.530 -2.836 349TIP3 H2 7357 -1.799 -3.572 -2.919 350TIP3 OH2 7358 -1.663 -3.571 -4.275 350TIP3 H1 7359 -1.664 -3.598 -4.368 350TIP3 H2 7360 -1.567 -3.581 -4.254 351TIP3 OH2 7361 -1.333 -3.338 -2.501 351TIP3 H1 7362 -1.243 -3.358 -2.530 351TIP3 H2 7363 -1.359 -3.421 -2.459 352TIP3 OH2 7364 -1.805 -3.879 -2.746 352TIP3 H1 7365 -1.797 -3.944 -2.817 352TIP3 H2 7366 -1.826 -3.798 -2.795 353TIP3 OH2 7367 -1.767 -4.037 -3.003 353TIP3 H1 7368 -1.714 -3.982 -3.065 353TIP3 H2 7369 -1.858 -4.027 -3.037 354TIP3 OH2 7370 -1.617 -3.487 -2.957 354TIP3 H1 7371 -1.533 -3.495 -3.005 354TIP3 H2 7372 -1.648 -3.400 -2.987 355TIP3 OH2 7373 -1.159 -3.693 -2.481 355TIP3 H1 7374 -1.141 -3.786 -2.460 355TIP3 H2 7375 -1.069 -3.656 -2.482 356TIP3 OH2 7376 -1.061 -3.414 -2.629 356TIP3 H1 7377 -1.096 -3.354 -2.698 356TIP3 H2 7378 -0.972 -3.431 -2.667 357TIP3 OH2 7379 -1.983 -3.696 -2.563 357TIP3 H1 7380 -2.036 -3.777 -2.561 357TIP3 H2 7381 -1.903 -3.726 -2.607 358TIP3 OH2 7382 -1.718 -4.278 -2.882 358TIP3 H1 7383 -1.707 -4.187 -2.916 358TIP3 H2 7384 -1.811 -4.292 -2.903 359TIP3 OH2 7385 -1.571 -3.843 -2.586 359TIP3 H1 7386 -1.602 -3.871 -2.497 359TIP3 H2 7387 -1.652 -3.863 -2.637 360TIP3 OH2 7388 -1.312 -3.944 -2.687 360TIP3 H1 7389 -1.401 -3.931 -2.650 360TIP3 H2 7390 -1.275 -4.010 -2.625 361TIP3 OH2 7391 -1.138 -4.136 -2.518 361TIP3 H1 7392 -1.155 -4.224 -2.481 361TIP3 H2 7393 -1.154 -4.077 -2.443 362TIP3 OH2 7394 -2.106 -3.959 -2.575 362TIP3 H1 7395 -2.131 -4.021 -2.646 362TIP3 H2 7396 -2.148 -3.998 -2.497 363TIP3 OH2 7397 -1.608 -4.145 -2.476 363TIP3 H1 7398 -1.631 -4.228 -2.522 363TIP3 H2 7399 -1.694 -4.100 -2.469 364TIP3 OH2 7400 -1.707 -2.452 -4.167 364TIP3 H1 7401 -1.610 -2.448 -4.166 364TIP3 H2 7402 -1.732 -2.400 -4.246 365TIP3 OH2 7403 -2.316 -3.060 -4.194 365TIP3 H1 7404 -2.229 -3.015 -4.196 365TIP3 H2 7405 -2.316 -3.107 -4.279 366TIP3 OH2 7406 -2.425 -2.498 -3.716 366TIP3 H1 7407 -2.496 -2.535 -3.771 366TIP3 H2 7408 -2.413 -2.568 -3.649 367TIP3 OH2 7409 -2.385 -2.697 -3.520 367TIP3 H1 7410 -2.413 -2.786 -3.490 367TIP3 H2 7411 -2.349 -2.664 -3.436 368TIP3 OH2 7412 -0.629 -2.574 -3.219 368TIP3 H1 7413 -0.614 -2.573 -3.124 368TIP3 H2 7414 -0.545 -2.542 -3.252 369TIP3 OH2 7415 -0.640 -2.628 -2.932 369TIP3 H1 7416 -0.692 -2.703 -2.967 369TIP3 H2 7417 -0.585 -2.674 -2.867 370TIP3 OH2 7418 -0.839 -3.085 -2.502 370TIP3 H1 7419 -0.928 -3.078 -2.463 370TIP3 H2 7420 -0.795 -3.004 -2.471 371TIP3 OH2 7421 -0.697 -3.211 -3.927 371TIP3 H1 7422 -0.609 -3.170 -3.914 371TIP3 H2 7423 -0.703 -3.267 -3.848 372TIP3 OH2 7424 -0.627 -3.407 -3.702 372TIP3 H1 7425 -0.709 -3.454 -3.679 372TIP3 H2 7426 -0.577 -3.409 -3.619 373TIP3 OH2 7427 -0.673 -3.157 -3.233 373TIP3 H1 7428 -0.612 -3.197 -3.297 373TIP3 H2 7429 -0.672 -3.064 -3.260 374TIP3 OH2 7430 -0.811 -2.858 -3.009 374TIP3 H1 7431 -0.883 -2.816 -2.960 374TIP3 H2 7432 -0.858 -2.892 -3.088 375TIP3 OH2 7433 -0.624 -3.431 -4.113 375TIP3 H1 7434 -0.697 -3.408 -4.173 375TIP3 H2 7435 -0.640 -3.366 -4.043 376TIP3 OH2 7436 -0.804 -3.697 -4.215 376TIP3 H1 7437 -0.780 -3.625 -4.276 376TIP3 H2 7438 -0.771 -3.774 -4.261 377TIP3 OH2 7439 -0.851 -3.578 -3.651 377TIP3 H1 7440 -0.861 -3.672 -3.672 377TIP3 H2 7441 -0.894 -3.572 -3.563 378TIP3 OH2 7442 -2.376 -3.363 -3.280 378TIP3 H1 7443 -2.351 -3.359 -3.374 378TIP3 H2 7444 -2.290 -3.386 -3.239 379TIP3 OH2 7445 -0.800 -3.393 -2.738 379TIP3 H1 7446 -0.727 -3.455 -2.719 379TIP3 H2 7447 -0.753 -3.310 -2.753 380TIP3 OH2 7448 -0.644 -3.583 -2.614 380TIP3 H1 7449 -0.724 -3.636 -2.638 380TIP3 H2 7450 -0.575 -3.652 -2.616 381TIP3 OH2 7451 -0.886 -4.020 -4.340 381TIP3 H1 7452 -0.827 -4.045 -4.267 381TIP3 H2 7453 -0.974 -4.048 -4.310 382TIP3 OH2 7454 -0.882 -3.823 -3.833 382TIP3 H1 7455 -0.864 -3.920 -3.825 382TIP3 H2 7456 -0.797 -3.793 -3.871 383TIP3 OH2 7457 -0.851 -3.770 -3.292 383TIP3 H1 7458 -0.753 -3.772 -3.292 383TIP3 H2 7459 -0.867 -3.777 -3.196 384TIP3 OH2 7460 -0.836 -3.704 -3.007 384TIP3 H1 7461 -0.921 -3.665 -2.980 384TIP3 H2 7462 -0.784 -3.626 -3.028 385TIP3 OH2 7463 -2.392 -3.836 -2.629 385TIP3 H1 7464 -2.299 -3.858 -2.643 385TIP3 H2 7465 -2.434 -3.923 -2.630 386TIP3 OH2 7466 -0.619 -4.275 -2.428 386TIP3 H1 7467 -0.573 -4.356 -2.451 386TIP3 H2 7468 -0.618 -4.218 -2.508 387TIP3 OH2 7469 -0.850 -4.095 -3.822 387TIP3 H1 7470 -0.821 -4.148 -3.746 387TIP3 H2 7471 -0.910 -4.157 -3.866 388TIP3 OH2 7472 -2.316 -3.990 -3.360 388TIP3 H1 7473 -2.285 -4.082 -3.350 388TIP3 H2 7474 -2.241 -3.940 -3.322 389TIP3 OH2 7475 -2.456 -3.727 -3.258 389TIP3 H1 7476 -2.395 -3.733 -3.333 389TIP3 H2 7477 -2.417 -3.654 -3.208 390TIP3 OH2 7478 -0.642 -4.111 -2.645 390TIP3 H1 7479 -0.727 -4.065 -2.638 390TIP3 H2 7480 -0.652 -4.148 -2.735 391TIP3 OH2 7481 -0.631 -4.073 -4.174 391TIP3 H1 7482 -0.605 -4.145 -4.233 391TIP3 H2 7483 -0.548 -4.022 -4.166 392TIP3 OH2 7484 -2.400 -4.101 -3.853 392TIP3 H1 7485 -2.495 -4.095 -3.872 392TIP3 H2 7486 -2.362 -4.033 -3.912 393TIP3 OH2 7487 -0.943 -2.572 -3.641 393TIP3 H1 7488 -0.895 -2.595 -3.722 393TIP3 H2 7489 -0.874 -2.530 -3.587 394TIP3 OH2 7490 -2.424 -4.127 -3.000 394TIP3 H1 7491 -2.425 -4.220 -2.972 394TIP3 H2 7492 -2.443 -4.136 -3.095 395TIP3 OH2 7493 -2.201 -2.895 -2.568 395TIP3 H1 7494 -2.275 -2.898 -2.630 395TIP3 H2 7495 -2.245 -2.903 -2.482 396TIP3 OH2 7496 -1.917 -2.799 -3.000 396TIP3 H1 7497 -1.948 -2.713 -3.034 396TIP3 H2 7498 -1.821 -2.789 -3.017 397TIP3 OH2 7499 -1.466 -2.668 -2.699 397TIP3 H1 7500 -1.453 -2.684 -2.604 397TIP3 H2 7501 -1.383 -2.623 -2.723 398TIP3 OH2 7502 -1.236 -2.521 -2.774 398TIP3 H1 7503 -1.169 -2.587 -2.796 398TIP3 H2 7504 -1.207 -2.492 -2.685 399TIP3 OH2 7505 -0.778 -4.275 -2.854 399TIP3 H1 7506 -0.831 -4.216 -2.911 399TIP3 H2 7507 -0.757 -4.344 -2.918 400TIP3 OH2 7508 -2.180 -2.503 -2.967 400TIP3 H1 7509 -2.240 -2.439 -3.010 400TIP3 H2 7510 -2.211 -2.499 -2.876 401TIP3 OH2 7511 -1.930 -2.525 -3.111 401TIP3 H1 7512 -2.016 -2.507 -3.067 401TIP3 H2 7513 -1.927 -2.456 -3.179 402TIP3 OH2 7514 -1.455 -2.526 -3.155 402TIP3 H1 7515 -1.494 -2.481 -3.233 402TIP3 H2 7516 -1.448 -2.451 -3.092 403TIP3 OH2 7517 -1.222 -2.654 -3.063 403TIP3 H1 7518 -1.307 -2.618 -3.096 403TIP3 H2 7519 -1.167 -2.575 -3.065 404TIP3 OH2 7520 -0.968 -2.481 -3.044 404TIP3 H1 7521 -0.974 -2.386 -3.066 404TIP3 H2 7522 -0.942 -2.517 -3.131 405TIP3 OH2 7523 -2.222 -2.623 -3.272 405TIP3 H1 7524 -2.224 -2.672 -3.187 405TIP3 H2 7525 -2.146 -2.667 -3.316 406TIP3 OH2 7526 -2.020 -2.747 -3.427 406TIP3 H1 7527 -2.036 -2.840 -3.402 406TIP3 H2 7528 -1.929 -2.733 -3.396 407TIP3 OH2 7529 -1.743 -2.701 -3.339 407TIP3 H1 7530 -1.725 -2.794 -3.362 407TIP3 H2 7531 -1.737 -2.705 -3.243 408TIP3 OH2 7532 -1.415 -4.112 -3.412 408TIP3 H1 7533 -1.477 -4.182 -3.383 408TIP3 H2 7534 -1.354 -4.162 -3.469 409TIP3 OH2 7535 -0.885 -4.327 -3.363 409TIP3 H1 7536 -0.826 -4.290 -3.431 409TIP3 H2 7537 -0.973 -4.307 -3.398 410TIP3 OH2 7538 -0.691 -4.224 -3.583 410TIP3 H1 7539 -0.637 -4.248 -3.659 410TIP3 H2 7540 -0.672 -4.129 -3.572 411TIP3 OH2 7541 -2.179 -4.282 -3.678 411TIP3 H1 7542 -2.270 -4.306 -3.699 411TIP3 H2 7543 -2.143 -4.364 -3.642 412TIP3 OH2 7544 -2.318 -4.282 -4.068 412TIP3 H1 7545 -2.266 -4.231 -4.134 412TIP3 H2 7546 -2.352 -4.211 -4.011 413TIP3 OH2 7547 -1.729 -4.226 -3.652 413TIP3 H1 7548 -1.635 -4.235 -3.672 413TIP3 H2 7549 -1.743 -4.293 -3.584 414TIP3 OH2 7550 -1.172 -4.264 -3.516 414TIP3 H1 7551 -1.141 -4.263 -3.607 414TIP3 H2 7552 -1.188 -4.358 -3.499 415TIP3 OH2 7553 -1.067 -4.270 -3.915 415TIP3 H1 7554 -1.141 -4.215 -3.946 415TIP3 H2 7555 -1.104 -4.360 -3.919 416TIP3 OH2 7556 -2.295 -2.699 -3.960 416TIP3 H1 7557 -2.361 -2.698 -4.031 416TIP3 H2 7558 -2.282 -2.605 -3.946 417TIP3 OH2 7559 -2.128 -4.125 -4.223 417TIP3 H1 7560 -2.066 -4.163 -4.286 417TIP3 H2 7561 -2.070 -4.063 -4.176 418TIP3 OH2 7562 -1.607 -4.057 -3.985 418TIP3 H1 7563 -1.597 -4.142 -3.937 418TIP3 H2 7564 -1.585 -3.991 -3.917 419TIP3 OH2 7565 -1.414 -2.530 -4.147 419TIP3 H1 7566 -1.317 -2.518 -4.145 419TIP3 H2 7567 -1.422 -2.593 -4.221 420TIP3 OH2 7568 -0.749 -2.614 -3.880 420TIP3 H1 7569 -0.778 -2.697 -3.924 420TIP3 H2 7570 -0.771 -2.547 -3.948 421TIP3 OH2 7571 -2.216 -4.178 -2.732 421TIP3 H1 7572 -2.262 -4.257 -2.699 421TIP3 H2 7573 -2.128 -4.217 -2.744 422TIP3 OH2 7574 -1.923 -4.279 -2.467 422TIP3 H1 7575 -1.836 -4.305 -2.505 422TIP3 H2 7576 -1.946 -4.357 -2.416 423TIP3 OH2 7577 -2.050 -2.563 -4.195 423TIP3 H1 7578 -2.146 -2.565 -4.182 423TIP3 H2 7579 -2.033 -2.647 -4.239 424TIP3 OH2 7580 -0.809 -2.734 -2.641 424TIP3 H1 7581 -0.883 -2.754 -2.702 424TIP3 H2 7582 -0.827 -2.641 -2.620 425TIP3 OH2 7583 0.614 -3.366 -3.629 425TIP3 H1 7584 0.611 -3.270 -3.617 425TIP3 H2 7585 0.535 -3.381 -3.683 426TIP3 OH2 7586 0.496 -3.421 -3.320 426TIP3 H1 7587 0.497 -3.475 -3.240 426TIP3 H2 7588 0.462 -3.487 -3.384 427TIP3 OH2 7589 -0.249 -3.452 -3.171 427TIP3 H1 7590 -0.261 -3.526 -3.108 427TIP3 H2 7591 -0.188 -3.397 -3.119 428TIP3 OH2 7592 0.864 -3.148 -3.488 428TIP3 H1 7593 0.827 -3.220 -3.435 428TIP3 H2 7594 0.894 -3.087 -3.418 429TIP3 OH2 7595 -0.185 -3.014 -3.318 429TIP3 H1 7596 -0.213 -3.106 -3.323 429TIP3 H2 7597 -0.094 -3.023 -3.284 430TIP3 OH2 7598 -0.498 -3.658 -3.741 430TIP3 H1 7599 -0.535 -3.570 -3.756 430TIP3 H2 7600 -0.554 -3.713 -3.797 431TIP3 OH2 7601 0.569 -2.613 -3.431 431TIP3 H1 7602 0.628 -2.684 -3.463 431TIP3 H2 7603 0.544 -2.646 -3.344 432TIP3 OH2 7604 0.345 -3.171 -3.263 432TIP3 H1 7605 0.377 -3.243 -3.319 432TIP3 H2 7606 0.426 -3.155 -3.211 433TIP3 OH2 7607 1.202 -4.017 -3.207 433TIP3 H1 7608 1.234 -3.972 -3.127 433TIP3 H2 7609 1.267 -3.986 -3.273 434TIP3 OH2 7610 0.675 -3.739 -3.212 434TIP3 H1 7611 0.692 -3.835 -3.210 434TIP3 H2 7612 0.660 -3.724 -3.306 435TIP3 OH2 7613 0.757 -3.922 -3.672 435TIP3 H1 7614 0.815 -3.968 -3.607 435TIP3 H2 7615 0.823 -3.878 -3.727 436TIP3 OH2 7616 -0.347 -3.615 -3.457 436TIP3 H1 7617 -0.293 -3.684 -3.415 436TIP3 H2 7618 -0.361 -3.656 -3.545 437TIP3 OH2 7619 1.295 -3.848 -2.941 437TIP3 H1 7620 1.219 -3.797 -2.975 437TIP3 H2 7621 1.256 -3.891 -2.864 438TIP3 OH2 7622 -0.148 -4.049 -3.096 438TIP3 H1 7623 -0.177 -3.991 -3.169 438TIP3 H2 7624 -0.216 -4.028 -3.028 439TIP3 OH2 7625 0.599 -3.083 -3.749 439TIP3 H1 7626 0.571 -3.104 -3.838 439TIP3 H2 7627 0.557 -2.997 -3.733 440TIP3 OH2 7628 0.145 -3.270 -3.073 440TIP3 H1 7629 0.071 -3.210 -3.054 440TIP3 H2 7630 0.208 -3.212 -3.120 441TIP3 OH2 7631 0.952 -4.011 -3.469 441TIP3 H1 7632 0.904 -4.067 -3.407 441TIP3 H2 7633 0.997 -3.949 -3.410 442TIP3 OH2 7634 -0.160 -3.872 -3.324 442TIP3 H1 7635 -0.101 -3.806 -3.282 442TIP3 H2 7636 -0.113 -3.879 -3.409 443TIP3 OH2 7637 -0.062 -3.083 -3.016 443TIP3 H1 7638 -0.060 -2.987 -3.034 443TIP3 H2 7639 -0.143 -3.089 -2.962 444TIP3 OH2 7640 -0.427 -3.113 -3.914 444TIP3 H1 7641 -0.443 -3.076 -4.003 444TIP3 H2 7642 -0.411 -3.035 -3.858 445TIP3 OH2 7643 0.920 -2.968 -3.240 445TIP3 H1 7644 0.823 -2.955 -3.237 445TIP3 H2 7645 0.948 -2.882 -3.275 446TIP3 OH2 7646 0.963 -4.109 -3.065 446TIP3 H1 7647 0.882 -4.079 -3.110 446TIP3 H2 7648 1.028 -4.099 -3.137 447TIP3 OH2 7649 0.276 4.370 -3.328 447TIP3 H1 7650 0.272 4.286 -3.375 447TIP3 H2 7651 0.186 4.407 -3.333 448TIP3 OH2 7652 0.749 -2.773 -3.586 448TIP3 H1 7653 0.798 -2.853 -3.613 448TIP3 H2 7654 0.819 -2.705 -3.590 449TIP3 OH2 7655 0.895 -2.986 -3.719 449TIP3 H1 7656 0.845 -3.033 -3.787 449TIP3 H2 7657 0.891 -3.050 -3.645 450TIP3 OH2 7658 1.050 -3.105 -2.871 450TIP3 H1 7659 1.039 -3.169 -2.943 450TIP3 H2 7660 1.062 -3.021 -2.920 451TIP3 OH2 7661 0.480 -3.415 -3.906 451TIP3 H1 7662 0.413 -3.355 -3.944 451TIP3 H2 7663 0.553 -3.408 -3.968 452TIP3 OH2 7664 0.494 -3.591 -4.207 452TIP3 H1 7665 0.561 -3.562 -4.143 452TIP3 H2 7666 0.549 -3.652 -4.262 453TIP3 OH2 7667 1.226 -3.488 -3.077 453TIP3 H1 7668 1.153 -3.423 -3.068 453TIP3 H2 7669 1.273 -3.453 -3.155 454TIP3 OH2 7670 0.827 -3.415 -3.795 454TIP3 H1 7671 0.758 -3.394 -3.728 454TIP3 H2 7672 0.887 -3.472 -3.742 455TIP3 OH2 7673 0.812 -3.562 -2.910 455TIP3 H1 7674 0.816 -3.481 -2.857 455TIP3 H2 7675 0.746 -3.533 -2.976 456TIP3 OH2 7676 0.120 -3.001 -3.342 456TIP3 H1 7677 0.121 -3.036 -3.431 456TIP3 H2 7678 0.200 -3.043 -3.304 457TIP3 OH2 7679 0.028 -3.395 -3.314 457TIP3 H1 7680 0.081 -3.462 -3.361 457TIP3 H2 7681 0.078 -3.385 -3.230 458TIP3 OH2 7682 0.638 -2.904 -3.210 458TIP3 H1 7683 0.642 -2.838 -3.139 458TIP3 H2 7684 0.617 -2.987 -3.162 459TIP3 OH2 7685 0.130 -3.024 -2.783 459TIP3 H1 7686 0.080 -2.957 -2.733 459TIP3 H2 7687 0.065 -3.050 -2.852 460TIP3 OH2 7688 0.735 -3.467 -4.057 460TIP3 H1 7689 0.776 -3.443 -3.971 460TIP3 H2 7690 0.797 -3.425 -4.120 461TIP3 OH2 7691 -0.182 -3.378 -2.880 461TIP3 H1 7692 -0.172 -3.327 -2.797 461TIP3 H2 7693 -0.276 -3.400 -2.878 462TIP3 OH2 7694 0.461 -2.811 -3.692 462TIP3 H1 7695 0.517 -2.784 -3.618 462TIP3 H2 7696 0.421 -2.727 -3.719 463TIP3 OH2 7697 -0.060 -2.807 -2.702 463TIP3 H1 7698 -0.072 -2.802 -2.799 463TIP3 H2 7699 -0.148 -2.834 -2.670 464TIP3 OH2 7700 1.057 -4.338 -4.126 464TIP3 H1 7701 0.996 -4.330 -4.050 464TIP3 H2 7702 1.119 -4.267 -4.107 465TIP3 OH2 7703 -0.129 -3.432 -3.812 465TIP3 H1 7704 -0.135 -3.386 -3.897 465TIP3 H2 7705 -0.149 -3.524 -3.834 466TIP3 OH2 7706 1.183 -2.876 -4.253 466TIP3 H1 7707 1.207 -2.792 -4.210 466TIP3 H2 7708 1.260 -2.933 -4.235 467TIP3 OH2 7709 -0.510 -3.197 -2.994 467TIP3 H1 7710 -0.565 -3.196 -3.076 467TIP3 H2 7711 -0.504 -3.292 -2.974 468TIP3 OH2 7712 -0.510 -2.904 -3.298 468TIP3 H1 7713 -0.417 -2.929 -3.289 468TIP3 H2 7714 -0.519 -2.842 -3.224 469TIP3 OH2 7715 1.329 -2.842 -2.719 469TIP3 H1 7716 1.317 -2.937 -2.736 469TIP3 H2 7717 1.238 -2.817 -2.690 470TIP3 OH2 7718 0.393 -2.919 -2.840 470TIP3 H1 7719 0.402 -2.837 -2.787 470TIP3 H2 7720 0.304 -2.949 -2.815 471TIP3 OH2 7721 0.425 -2.540 -3.847 471TIP3 H1 7722 0.423 -2.527 -3.944 471TIP3 H2 7723 0.428 -2.449 -3.813 472TIP3 OH2 7724 -0.198 -2.628 -3.681 472TIP3 H1 7725 -0.181 -2.670 -3.594 472TIP3 H2 7726 -0.285 -2.663 -3.702 473TIP3 OH2 7727 0.730 -2.566 -4.102 473TIP3 H1 7728 0.780 -2.601 -4.177 473TIP3 H2 7729 0.748 -2.630 -4.030 474TIP3 OH2 7730 0.697 -2.673 -3.849 474TIP3 H1 7731 0.607 -2.642 -3.832 474TIP3 H2 7732 0.714 -2.727 -3.770 475TIP3 OH2 7733 1.009 -3.708 -2.680 475TIP3 H1 7734 0.956 -3.669 -2.751 475TIP3 H2 7735 1.015 -3.801 -2.709 476TIP3 OH2 7736 -0.296 -3.040 -2.865 476TIP3 H1 7737 -0.269 -3.088 -2.784 476TIP3 H2 7738 -0.368 -3.097 -2.900 477TIP3 OH2 7739 0.022 -4.216 -3.277 477TIP3 H1 7740 -0.061 -4.244 -3.319 477TIP3 H2 7741 -0.007 -4.137 -3.229 478TIP3 OH2 7742 0.483 -4.260 -2.915 478TIP3 H1 7743 0.498 -4.309 -2.833 478TIP3 H2 7744 0.389 -4.277 -2.929 479TIP3 OH2 7745 0.779 -3.863 -2.873 479TIP3 H1 7746 0.719 -3.875 -2.797 479TIP3 H2 7747 0.772 -3.768 -2.892 480TIP3 OH2 7748 0.957 -3.386 -4.253 480TIP3 H1 7749 0.912 -3.403 -4.337 480TIP3 H2 7750 0.987 -3.295 -4.270 481TIP3 OH2 7751 0.442 -3.997 -4.213 481TIP3 H1 7752 0.387 -3.995 -4.132 481TIP3 H2 7753 0.394 -4.065 -4.262 482TIP3 OH2 7754 0.005 -3.718 -3.146 482TIP3 H1 7755 -0.060 -3.703 -3.076 482TIP3 H2 7756 0.003 -3.636 -3.197 483TIP3 OH2 7757 0.570 -3.654 -3.785 483TIP3 H1 7758 0.528 -3.572 -3.818 483TIP3 H2 7759 0.632 -3.674 -3.856 484TIP3 OH2 7760 0.483 -3.632 -2.649 484TIP3 H1 7761 0.433 -3.707 -2.611 484TIP3 H2 7762 0.570 -3.643 -2.606 485TIP3 OH2 7763 0.651 -3.711 -3.504 485TIP3 H1 7764 0.621 -3.654 -3.578 485TIP3 H2 7765 0.669 -3.793 -3.554 486TIP3 OH2 7766 -0.259 -3.691 -2.972 486TIP3 H1 7767 -0.221 -3.667 -2.887 486TIP3 H2 7768 -0.296 -3.779 -2.951 487TIP3 OH2 7769 0.117 -3.958 -4.312 487TIP3 H1 7770 0.089 -3.984 -4.223 487TIP3 H2 7771 0.040 -3.908 -4.344 488TIP3 OH2 7772 -0.566 -3.950 -3.601 488TIP3 H1 7773 -0.512 -3.962 -3.521 488TIP3 H2 7774 -0.517 -3.997 -3.670 489TIP3 OH2 7775 -0.424 -3.917 -4.047 489TIP3 H1 7776 -0.354 -3.868 -4.093 489TIP3 H2 7777 -0.481 -3.845 -4.014 490TIP3 OH2 7778 0.560 -3.543 -3.057 490TIP3 H1 7779 0.603 -3.615 -3.110 490TIP3 H2 7780 0.527 -3.592 -2.981 491TIP3 OH2 7781 0.255 -3.967 -3.564 491TIP3 H1 7782 0.169 -3.925 -3.546 491TIP3 H2 7783 0.293 -3.975 -3.476 492TIP3 OH2 7784 -0.241 -3.799 -3.736 492TIP3 H1 7785 -0.336 -3.808 -3.724 492TIP3 H2 7786 -0.204 -3.889 -3.728 493TIP3 OH2 7787 0.087 -3.802 -3.933 493TIP3 H1 7788 0.168 -3.781 -3.884 493TIP3 H2 7789 0.067 -3.722 -3.982 494TIP3 OH2 7790 0.715 -4.031 -3.254 494TIP3 H1 7791 0.650 -4.035 -3.182 494TIP3 H2 7792 0.662 -4.065 -3.327 495TIP3 OH2 7793 -0.050 -3.663 -4.166 495TIP3 H1 7794 -0.099 -3.731 -4.215 495TIP3 H2 7795 0.035 -3.660 -4.212 496TIP3 OH2 7796 1.018 -2.454 -2.589 496TIP3 H1 7797 1.043 -2.409 -2.672 496TIP3 H2 7798 1.091 -2.426 -2.530 497TIP3 OH2 7799 -0.189 -3.194 -2.648 497TIP3 H1 7800 -0.121 -3.187 -2.577 497TIP3 H2 7801 -0.269 -3.196 -2.592 498TIP3 OH2 7802 0.388 -3.677 -3.374 498TIP3 H1 7803 0.445 -3.728 -3.431 498TIP3 H2 7804 0.354 -3.743 -3.311 499TIP3 OH2 7805 -0.100 -4.056 -3.730 499TIP3 H1 7806 -0.139 -4.144 -3.730 499TIP3 H2 7807 -0.018 -4.068 -3.779 500TIP3 OH2 7808 0.279 -3.845 -3.156 500TIP3 H1 7809 0.202 -3.785 -3.152 500TIP3 H2 7810 0.329 -3.820 -3.076 501TIP3 OH2 7811 0.289 -3.209 -3.957 501TIP3 H1 7812 0.215 -3.261 -3.992 501TIP3 H2 7813 0.273 -3.212 -3.860 502TIP3 OH2 7814 1.016 -3.293 -3.087 502TIP3 H1 7815 1.065 -3.239 -3.152 502TIP3 H2 7816 0.930 -3.305 -3.132 503TIP3 OH2 7817 0.711 -3.928 -4.193 503TIP3 H1 7818 0.614 -3.938 -4.186 503TIP3 H2 7819 0.733 -3.859 -4.127 504TIP3 OH2 7820 0.454 -3.210 -2.830 504TIP3 H1 7821 0.431 -3.241 -2.741 504TIP3 H2 7822 0.428 -3.116 -2.827 505TIP3 OH2 7823 0.771 -3.750 -3.990 505TIP3 H1 7824 0.855 -3.766 -3.944 505TIP3 H2 7825 0.785 -3.661 -4.029 506TIP3 OH2 7826 0.538 -3.076 -4.070 506TIP3 H1 7827 0.510 -2.987 -4.038 506TIP3 H2 7828 0.462 -3.129 -4.041 507TIP3 OH2 7829 -0.469 -3.443 -2.850 507TIP3 H1 7830 -0.451 -3.487 -2.765 507TIP3 H2 7831 -0.525 -3.507 -2.896 508TIP3 OH2 7832 0.230 -3.493 -2.657 508TIP3 H1 7833 0.202 -3.516 -2.747 508TIP3 H2 7834 0.323 -3.521 -2.659 509TIP3 OH2 7835 0.684 -2.951 -2.882 509TIP3 H1 7836 0.587 -2.941 -2.887 509TIP3 H2 7837 0.701 -2.924 -2.790 510TIP3 OH2 7838 1.243 -3.738 -4.002 510TIP3 H1 7839 1.177 -3.756 -4.072 510TIP3 H2 7840 1.254 -3.643 -4.017 511TIP3 OH2 7841 1.282 -3.141 -2.724 511TIP3 H1 7842 1.188 -3.119 -2.742 511TIP3 H2 7843 1.315 -3.158 -2.814 512TIP3 OH2 7844 1.068 -2.881 -3.990 512TIP3 H1 7845 1.036 -2.957 -3.940 512TIP3 H2 7846 1.094 -2.921 -4.075 513TIP3 OH2 7847 0.781 -3.350 -3.257 513TIP3 H1 7848 0.688 -3.366 -3.281 513TIP3 H2 7849 0.825 -3.423 -3.305 514TIP3 OH2 7850 0.042 -2.947 -3.654 514TIP3 H1 7851 0.092 -2.864 -3.663 514TIP3 H2 7852 -0.047 -2.917 -3.677 515TIP3 OH2 7853 -0.363 -3.407 -4.243 515TIP3 H1 7854 -0.304 -3.379 -4.170 515TIP3 H2 7855 -0.448 -3.413 -4.195 516TIP3 OH2 7856 0.208 -3.190 -3.686 516TIP3 H1 7857 0.179 -3.098 -3.673 516TIP3 H2 7858 0.135 -3.240 -3.647 517TIP3 OH2 7859 0.245 -2.747 -3.056 517TIP3 H1 7860 0.301 -2.672 -3.082 517TIP3 H2 7861 0.306 -2.797 -2.999 518TIP3 OH2 7862 0.089 -2.652 -3.734 518TIP3 H1 7863 -0.006 -2.636 -3.724 518TIP3 H2 7864 0.126 -2.566 -3.708 519TIP3 OH2 7865 0.586 -3.172 -3.099 519TIP3 H1 7866 0.558 -3.200 -3.010 519TIP3 H2 7867 0.659 -3.233 -3.116 520TIP3 OH2 7868 0.796 -3.029 -4.200 520TIP3 H1 7869 0.852 -3.072 -4.133 520TIP3 H2 7870 0.709 -3.048 -4.160 521TIP3 OH2 7871 0.880 -2.715 -2.859 521TIP3 H1 7872 0.804 -2.759 -2.902 521TIP3 H2 7873 0.892 -2.635 -2.913 522TIP3 OH2 7874 1.293 -2.598 -4.160 522TIP3 H1 7875 1.360 -2.528 -4.145 522TIP3 H2 7876 1.210 -2.550 -4.140 523TIP3 OH2 7877 -0.332 -3.960 -2.896 523TIP3 H1 7878 -0.425 -3.943 -2.924 523TIP3 H2 7879 -0.346 -4.046 -2.850 524TIP3 OH2 7880 0.899 -3.182 -3.969 524TIP3 H1 7881 0.873 -3.253 -3.907 524TIP3 H2 7882 0.997 -3.185 -3.961 525TIP3 OH2 7883 -0.356 -2.805 -3.051 525TIP3 H1 7884 -0.329 -2.895 -3.026 525TIP3 H2 7885 -0.338 -2.758 -2.968 526TIP3 OH2 7886 0.247 -2.939 -4.337 526TIP3 H1 7887 0.289 -3.023 -4.364 526TIP3 H2 7888 0.200 -2.967 -4.256 527TIP3 OH2 7889 0.104 -2.988 -4.075 527TIP3 H1 7890 0.160 -3.039 -4.015 527TIP3 H2 7891 0.125 -2.896 -4.049 528TIP3 OH2 7892 -0.209 -3.251 -4.043 528TIP3 H1 7893 -0.282 -3.215 -3.990 528TIP3 H2 7894 -0.159 -3.170 -4.064 529TIP3 OH2 7895 0.551 -4.004 -3.022 529TIP3 H1 7896 0.619 -3.982 -2.957 529TIP3 H2 7897 0.519 -4.091 -2.992 530TIP3 OH2 7898 0.640 -4.050 -3.923 530TIP3 H1 7899 0.656 -3.985 -3.993 530TIP3 H2 7900 0.670 -4.002 -3.844 531TIP3 OH2 7901 0.399 -2.827 -4.030 531TIP3 H1 7902 0.325 -2.772 -4.000 531TIP3 H2 7903 0.456 -2.761 -4.071 532TIP3 OH2 7904 0.364 -3.855 -3.805 532TIP3 H1 7905 0.438 -3.793 -3.788 532TIP3 H2 7906 0.327 -3.868 -3.716 533TIP3 OH2 7907 0.400 -3.759 -2.899 533TIP3 H1 7908 0.413 -3.711 -2.815 533TIP3 H2 7909 0.455 -3.837 -2.887 534TIP3 OH2 7910 0.440 -4.166 -3.714 534TIP3 H1 7911 0.409 -4.090 -3.662 534TIP3 H2 7912 0.496 -4.124 -3.782 535TIP3 OH2 7913 0.117 -2.706 -4.026 535TIP3 H1 7914 0.127 -2.621 -4.074 535TIP3 H2 7915 0.109 -2.677 -3.933 536TIP3 OH2 7916 -0.011 -4.035 -4.057 536TIP3 H1 7917 -0.008 -3.953 -4.003 536TIP3 H2 7918 0.075 -4.074 -4.030 537TIP3 OH2 7919 1.041 -3.963 -2.819 537TIP3 H1 7920 0.944 -3.952 -2.826 537TIP3 H2 7921 1.059 -3.990 -2.910 538TIP3 OH2 7922 0.882 -3.574 -3.410 538TIP3 H1 7923 0.798 -3.619 -3.434 538TIP3 H2 7924 0.930 -3.646 -3.362 539TIP3 OH2 7925 -0.166 -2.955 -4.178 539TIP3 H1 7926 -0.097 -2.915 -4.123 539TIP3 H2 7927 -0.112 -3.020 -4.227 540TIP3 OH2 7928 -0.336 -3.733 -4.271 540TIP3 H1 7929 -0.327 -3.644 -4.232 540TIP3 H2 7930 -0.431 -3.744 -4.282 541TIP3 OH2 7931 0.984 -2.690 -3.272 541TIP3 H1 7932 0.967 -2.606 -3.319 541TIP3 H2 7933 1.076 -2.677 -3.244 542TIP3 OH2 7934 -0.338 -4.243 -3.357 542TIP3 H1 7935 -0.294 -4.242 -3.443 542TIP3 H2 7936 -0.314 -4.333 -3.328 543TIP3 OH2 7937 -0.368 -2.888 -3.746 543TIP3 H1 7938 -0.446 -2.836 -3.724 543TIP3 H2 7939 -0.328 -2.835 -3.816 544TIP3 OH2 7940 -0.425 -2.599 -2.629 544TIP3 H1 7941 -0.368 -2.626 -2.555 544TIP3 H2 7942 -0.464 -2.684 -2.656 545TIP3 OH2 7943 0.036 -2.695 -2.449 545TIP3 H1 7944 0.112 -2.752 -2.428 545TIP3 H2 7945 0.021 -2.719 -2.542 546TIP3 OH2 7946 0.468 -2.757 -4.330 546TIP3 H1 7947 0.387 -2.811 -4.326 546TIP3 H2 7948 0.532 -2.826 -4.356 547TIP3 OH2 7949 0.691 -2.865 -2.592 547TIP3 H1 7950 0.654 -2.947 -2.554 547TIP3 H2 7951 0.761 -2.842 -2.528 548TIP3 OH2 7952 0.867 -2.822 4.283 548TIP3 H1 7953 0.856 -2.868 4.368 548TIP3 H2 7954 0.958 -2.791 4.285 549TIP3 OH2 7955 -0.429 -3.236 -2.515 549TIP3 H1 7956 -0.420 -3.326 -2.549 549TIP3 H2 7957 -0.506 -3.205 -2.566 550TIP3 OH2 7958 -0.047 -3.187 -4.311 550TIP3 H1 7959 -0.001 -3.244 -4.247 550TIP3 H2 7960 0.022 -3.175 -4.380 551TIP3 OH2 7961 0.228 -3.217 -2.581 551TIP3 H1 7962 0.204 -3.184 -2.669 551TIP3 H2 7963 0.240 -3.312 -2.596 552TIP3 OH2 7964 0.527 -3.075 -4.347 552TIP3 H1 7965 0.542 -3.065 -4.251 552TIP3 H2 7966 0.590 -3.145 -4.371 553TIP3 OH2 7967 0.769 -3.253 -2.844 553TIP3 H1 7968 0.849 -3.201 -2.862 553TIP3 H2 7969 0.701 -3.184 -2.846 554TIP3 OH2 7970 -0.343 -3.521 -2.601 554TIP3 H1 7971 -0.269 -3.585 -2.601 554TIP3 H2 7972 -0.350 -3.503 -2.506 555TIP3 OH2 7973 0.098 -3.386 -4.084 555TIP3 H1 7974 0.047 -3.439 -4.022 555TIP3 H2 7975 0.133 -3.454 -4.144 556TIP3 OH2 7976 0.017 -3.611 -2.861 556TIP3 H1 7977 -0.027 -3.529 -2.833 556TIP3 H2 7978 0.088 -3.577 -2.919 557TIP3 OH2 7979 0.215 -3.566 -4.281 557TIP3 H1 7980 0.225 -3.597 -4.373 557TIP3 H2 7981 0.309 -3.572 -4.252 558TIP3 OH2 7982 0.551 -3.338 -2.502 558TIP3 H1 7983 0.642 -3.356 -2.530 558TIP3 H2 7984 0.527 -3.421 -2.458 559TIP3 OH2 7985 0.079 -3.880 -2.745 559TIP3 H1 7986 0.089 -3.946 -2.816 559TIP3 H2 7987 0.061 -3.799 -2.796 560TIP3 OH2 7988 0.119 -4.036 -3.003 560TIP3 H1 7989 0.172 -3.983 -3.065 560TIP3 H2 7990 0.028 -4.025 -3.039 561TIP3 OH2 7991 0.265 -3.489 -2.956 561TIP3 H1 7992 0.351 -3.499 -3.001 561TIP3 H2 7993 0.239 -3.400 -2.986 562TIP3 OH2 7994 0.726 -3.694 -2.480 562TIP3 H1 7995 0.747 -3.787 -2.461 562TIP3 H2 7996 0.815 -3.655 -2.481 563TIP3 OH2 7997 0.824 -3.415 -2.630 563TIP3 H1 7998 0.790 -3.354 -2.698 563TIP3 H2 7999 0.914 -3.431 -2.666 564TIP3 OH2 8000 -0.099 -3.695 -2.564 564TIP3 H1 8001 -0.150 -3.778 -2.562 564TIP3 H2 8002 -0.017 -3.724 -2.607 565TIP3 OH2 8003 0.173 -4.276 -2.872 565TIP3 H1 8004 0.175 -4.188 -2.914 565TIP3 H2 8005 0.096 -4.315 -2.917 566TIP3 OH2 8006 0.314 -3.843 -2.585 566TIP3 H1 8007 0.284 -3.871 -2.497 566TIP3 H2 8008 0.234 -3.864 -2.637 567TIP3 OH2 8009 0.575 -3.944 -2.686 567TIP3 H1 8010 0.485 -3.931 -2.650 567TIP3 H2 8011 0.611 -4.010 -2.624 568TIP3 OH2 8012 0.747 -4.136 -2.517 568TIP3 H1 8013 0.729 -4.223 -2.479 568TIP3 H2 8014 0.731 -4.076 -2.442 569TIP3 OH2 8015 -0.220 -3.958 -2.575 569TIP3 H1 8016 -0.244 -4.020 -2.646 569TIP3 H2 8017 -0.263 -3.999 -2.498 570TIP3 OH2 8018 0.276 -4.146 -2.476 570TIP3 H1 8019 0.255 -4.229 -2.522 570TIP3 H2 8020 0.190 -4.100 -2.471 571TIP3 OH2 8021 0.177 -2.463 -4.174 571TIP3 H1 8022 0.273 -2.448 -4.161 571TIP3 H2 8023 0.154 -2.397 -4.241 572TIP3 OH2 8024 -0.434 -3.062 -4.185 572TIP3 H1 8025 -0.351 -3.013 -4.198 572TIP3 H2 8026 -0.467 -3.079 -4.275 573TIP3 OH2 8027 -0.534 -2.503 -3.721 573TIP3 H1 8028 -0.607 -2.537 -3.776 573TIP3 H2 8029 -0.530 -2.569 -3.650 574TIP3 OH2 8030 -0.497 -2.699 -3.520 574TIP3 H1 8031 -0.529 -2.785 -3.488 574TIP3 H2 8032 -0.464 -2.663 -3.437 575TIP3 OH2 8033 1.257 -2.578 -3.221 575TIP3 H1 8034 1.267 -2.569 -3.125 575TIP3 H2 8035 1.340 -2.539 -3.251 576TIP3 OH2 8036 1.243 -2.627 -2.931 576TIP3 H1 8037 1.194 -2.703 -2.967 576TIP3 H2 8038 1.301 -2.671 -2.867 577TIP3 OH2 8039 1.045 -3.085 -2.503 577TIP3 H1 8040 0.957 -3.077 -2.463 577TIP3 H2 8041 1.090 -3.005 -2.471 578TIP3 OH2 8042 1.185 -3.202 -3.930 578TIP3 H1 8043 1.275 -3.166 -3.916 578TIP3 H2 8044 1.180 -3.265 -3.856 579TIP3 OH2 8045 1.231 -3.402 -3.732 579TIP3 H1 8046 1.163 -3.456 -3.687 579TIP3 H2 8047 1.298 -3.388 -3.663 580TIP3 OH2 8048 1.203 -3.149 -3.234 580TIP3 H1 8049 1.266 -3.197 -3.289 580TIP3 H2 8050 1.217 -3.057 -3.264 581TIP3 OH2 8051 1.075 -2.858 -3.010 581TIP3 H1 8052 1.003 -2.817 -2.959 581TIP3 H2 8053 1.028 -2.894 -3.087 582TIP3 OH2 8054 1.258 -3.434 -4.109 582TIP3 H1 8055 1.196 -3.403 -4.176 582TIP3 H2 8056 1.241 -3.368 -4.039 583TIP3 OH2 8057 1.077 -3.696 -4.219 583TIP3 H1 8058 1.110 -3.621 -4.270 583TIP3 H2 8059 1.123 -3.770 -4.261 584TIP3 OH2 8060 1.025 -3.585 -3.650 584TIP3 H1 8061 1.016 -3.680 -3.667 584TIP3 H2 8062 0.986 -3.576 -3.560 585TIP3 OH2 8063 -0.471 -3.363 -3.322 585TIP3 H1 8064 -0.456 -3.426 -3.393 585TIP3 H2 8065 -0.401 -3.388 -3.259 586TIP3 OH2 8066 1.085 -3.393 -2.736 586TIP3 H1 8067 1.159 -3.455 -2.718 586TIP3 H2 8068 1.132 -3.310 -2.754 587TIP3 OH2 8069 1.241 -3.583 -2.616 587TIP3 H1 8070 1.161 -3.636 -2.638 587TIP3 H2 8071 1.310 -3.652 -2.616 588TIP3 OH2 8072 1.005 -4.028 -4.340 588TIP3 H1 8073 1.062 -4.043 -4.264 588TIP3 H2 8074 0.915 -4.045 -4.307 589TIP3 OH2 8075 1.002 -3.826 -3.837 589TIP3 H1 8076 1.021 -3.922 -3.828 589TIP3 H2 8077 1.087 -3.794 -3.871 590TIP3 OH2 8078 1.034 -3.773 -3.292 590TIP3 H1 8079 1.132 -3.768 -3.292 590TIP3 H2 8080 1.018 -3.777 -3.196 591TIP3 OH2 8081 1.049 -3.707 -3.006 591TIP3 H1 8082 0.964 -3.665 -2.980 591TIP3 H2 8083 1.103 -3.628 -3.028 592TIP3 OH2 8084 -0.505 -3.835 -2.626 592TIP3 H1 8085 -0.413 -3.859 -2.644 592TIP3 H2 8086 -0.549 -3.921 -2.630 593TIP3 OH2 8087 1.262 -4.281 -2.430 593TIP3 H1 8088 1.316 -4.357 -2.454 593TIP3 H2 8089 1.265 -4.220 -2.507 594TIP3 OH2 8090 1.037 -4.097 -3.824 594TIP3 H1 8091 1.056 -4.148 -3.744 594TIP3 H2 8092 0.976 -4.158 -3.869 595TIP3 OH2 8093 -0.427 -3.989 -3.357 595TIP3 H1 8094 -0.400 -4.083 -3.347 595TIP3 H2 8095 -0.343 -3.945 -3.333 596TIP3 OH2 8096 -0.567 -3.726 -3.259 596TIP3 H1 8097 -0.508 -3.737 -3.335 596TIP3 H2 8098 -0.527 -3.653 -3.211 597TIP3 OH2 8099 1.244 -4.113 -2.644 597TIP3 H1 8100 1.159 -4.065 -2.635 597TIP3 H2 8101 1.233 -4.147 -2.735 598TIP3 OH2 8102 1.257 -4.072 -4.174 598TIP3 H1 8103 1.281 -4.147 -4.230 598TIP3 H2 8104 1.338 -4.020 -4.171 599TIP3 OH2 8105 -0.516 -4.097 -3.850 599TIP3 H1 8106 -0.610 -4.095 -3.873 599TIP3 H2 8107 -0.476 -4.034 -3.912 600TIP3 OH2 8108 0.942 -2.571 -3.642 600TIP3 H1 8109 0.993 -2.597 -3.720 600TIP3 H2 8110 1.010 -2.531 -3.586 601TIP3 OH2 8111 -0.541 -4.125 -3.000 601TIP3 H1 8112 -0.540 -4.218 -2.971 601TIP3 H2 8113 -0.554 -4.137 -3.095 602TIP3 OH2 8114 -0.316 -2.901 -2.565 602TIP3 H1 8115 -0.387 -2.899 -2.631 602TIP3 H2 8116 -0.364 -2.895 -2.482 603TIP3 OH2 8117 -0.031 -2.800 -3.001 603TIP3 H1 8118 -0.062 -2.714 -3.034 603TIP3 H2 8119 0.065 -2.789 -3.017 604TIP3 OH2 8120 0.419 -2.668 -2.698 604TIP3 H1 8121 0.435 -2.685 -2.604 604TIP3 H2 8122 0.502 -2.623 -2.724 605TIP3 OH2 8123 0.647 -2.523 -2.775 605TIP3 H1 8124 0.717 -2.586 -2.797 605TIP3 H2 8125 0.678 -2.490 -2.688 606TIP3 OH2 8126 1.108 -4.276 -2.854 606TIP3 H1 8127 1.056 -4.215 -2.909 606TIP3 H2 8128 1.126 -4.345 -2.920 607TIP3 OH2 8129 -0.296 -2.505 -2.966 607TIP3 H1 8130 -0.354 -2.440 -3.010 607TIP3 H2 8131 -0.327 -2.497 -2.875 608TIP3 OH2 8132 -0.046 -2.526 -3.112 608TIP3 H1 8133 -0.130 -2.505 -3.068 608TIP3 H2 8134 -0.040 -2.456 -3.180 609TIP3 OH2 8135 0.428 -2.526 -3.155 609TIP3 H1 8136 0.394 -2.479 -3.233 609TIP3 H2 8137 0.439 -2.452 -3.092 610TIP3 OH2 8138 0.664 -2.654 -3.064 610TIP3 H1 8139 0.580 -2.617 -3.096 610TIP3 H2 8140 0.721 -2.576 -3.064 611TIP3 OH2 8141 0.915 -2.482 -3.043 611TIP3 H1 8142 0.914 -2.386 -3.062 611TIP3 H2 8143 0.946 -2.516 -3.129 612TIP3 OH2 8144 -0.337 -2.624 -3.273 612TIP3 H1 8145 -0.338 -2.671 -3.186 612TIP3 H2 8146 -0.259 -2.666 -3.315 613TIP3 OH2 8147 -0.135 -2.752 -3.425 613TIP3 H1 8148 -0.147 -2.847 -3.401 613TIP3 H2 8149 -0.043 -2.735 -3.394 614TIP3 OH2 8150 0.139 -2.702 -3.339 614TIP3 H1 8151 0.162 -2.794 -3.361 614TIP3 H2 8152 0.149 -2.703 -3.243 615TIP3 OH2 8153 0.476 -4.115 -3.412 615TIP3 H1 8154 0.416 -4.183 -3.378 615TIP3 H2 8155 0.530 -4.166 -3.474 616TIP3 OH2 8156 0.994 -4.326 -3.360 616TIP3 H1 8157 1.054 -4.291 -3.428 616TIP3 H2 8158 0.907 -4.317 -3.402 617TIP3 OH2 8159 1.205 -4.228 -3.579 617TIP3 H1 8160 1.246 -4.245 -3.665 617TIP3 H2 8161 1.211 -4.132 -3.570 618TIP3 OH2 8162 -0.296 -4.281 -3.683 618TIP3 H1 8163 -0.386 -4.312 -3.699 618TIP3 H2 8164 -0.253 -4.359 -3.647 619TIP3 OH2 8165 -0.434 -4.282 -4.067 619TIP3 H1 8166 -0.382 -4.232 -4.133 619TIP3 H2 8167 -0.467 -4.211 -4.010 620TIP3 OH2 8168 0.171 -4.275 -3.674 620TIP3 H1 8169 0.259 -4.234 -3.672 620TIP3 H2 8170 0.150 -4.285 -3.581 621TIP3 OH2 8171 0.730 -4.272 -3.517 621TIP3 H1 8172 0.722 -4.270 -3.613 621TIP3 H2 8173 0.686 -4.359 -3.498 622TIP3 OH2 8174 0.826 -4.274 -3.932 622TIP3 H1 8175 0.748 -4.216 -3.946 622TIP3 H2 8176 0.785 -4.356 -3.900 623TIP3 OH2 8177 -0.401 -2.697 -3.966 623TIP3 H1 8178 -0.475 -2.697 -4.030 623TIP3 H2 8179 -0.402 -2.604 -3.940 624TIP3 OH2 8180 -0.238 -4.120 -4.222 624TIP3 H1 8181 -0.175 -4.163 -4.281 624TIP3 H2 8182 -0.178 -4.063 -4.170 625TIP3 OH2 8183 0.275 -4.058 -3.984 625TIP3 H1 8184 0.294 -4.144 -3.942 625TIP3 H2 8185 0.300 -3.994 -3.914 626TIP3 OH2 8186 0.460 -2.530 -4.146 626TIP3 H1 8187 0.557 -2.515 -4.137 626TIP3 H2 8188 0.460 -2.591 -4.222 627TIP3 OH2 8189 1.138 -2.613 -3.884 627TIP3 H1 8190 1.108 -2.696 -3.927 627TIP3 H2 8191 1.115 -2.546 -3.951 628TIP3 OH2 8192 -0.330 -4.177 -2.732 628TIP3 H1 8193 -0.376 -4.256 -2.700 628TIP3 H2 8194 -0.242 -4.216 -2.745 629TIP3 OH2 8195 -0.038 -4.278 -2.467 629TIP3 H1 8196 0.049 -4.304 -2.506 629TIP3 H2 8197 -0.063 -4.358 -2.420 630TIP3 OH2 8198 -0.207 -2.589 -4.231 630TIP3 H1 8199 -0.245 -2.561 -4.147 630TIP3 H2 8200 -0.136 -2.648 -4.205 631TIP3 OH2 8201 1.077 -2.734 -2.641 631TIP3 H1 8202 1.003 -2.752 -2.701 631TIP3 H2 8203 1.061 -2.640 -2.621 632TIP3 OH2 8204 2.497 -3.368 -3.628 632TIP3 H1 8205 2.497 -3.272 -3.614 632TIP3 H2 8206 2.418 -3.379 -3.683 633TIP3 OH2 8207 2.382 -3.422 -3.321 633TIP3 H1 8208 2.381 -3.477 -3.240 633TIP3 H2 8209 2.353 -3.486 -3.388 634TIP3 OH2 8210 1.631 -3.464 -3.154 634TIP3 H1 8211 1.628 -3.539 -3.091 634TIP3 H2 8212 1.699 -3.409 -3.113 635TIP3 OH2 8213 2.748 -3.149 -3.488 635TIP3 H1 8214 2.713 -3.219 -3.432 635TIP3 H2 8215 2.782 -3.087 -3.422 636TIP3 OH2 8216 1.696 -2.998 -3.306 636TIP3 H1 8217 1.671 -3.091 -3.329 636TIP3 H2 8218 1.788 -3.013 -3.279 637TIP3 OH2 8219 1.397 -3.659 -3.765 637TIP3 H1 8220 1.354 -3.573 -3.751 637TIP3 H2 8221 1.324 -3.711 -3.802 638TIP3 OH2 8222 1.476 -3.414 -3.579 638TIP3 H1 8223 1.490 -3.497 -3.529 638TIP3 H2 8224 1.560 -3.405 -3.625 639TIP3 OH2 8225 2.456 -2.612 -3.432 639TIP3 H1 8226 2.514 -2.684 -3.464 639TIP3 H2 8227 2.428 -2.646 -3.346 640TIP3 OH2 8228 2.231 -3.171 -3.265 640TIP3 H1 8229 2.264 -3.244 -3.320 640TIP3 H2 8230 2.311 -3.155 -3.212 641TIP3 OH2 8231 3.086 -4.017 -3.207 641TIP3 H1 8232 3.119 -3.972 -3.128 641TIP3 H2 8233 3.151 -3.987 -3.273 642TIP3 OH2 8234 2.559 -3.740 -3.211 642TIP3 H1 8235 2.579 -3.836 -3.210 642TIP3 H2 8236 2.550 -3.724 -3.307 643TIP3 OH2 8237 1.856 -3.941 -3.503 643TIP3 H1 8238 1.871 -3.856 -3.548 643TIP3 H2 8239 1.821 -3.994 -3.577 644TIP3 OH2 8240 2.644 -3.924 -3.672 644TIP3 H1 8241 2.703 -3.967 -3.607 644TIP3 H2 8242 2.708 -3.878 -3.728 645TIP3 OH2 8243 1.528 -3.661 -3.455 645TIP3 H1 8244 1.586 -3.711 -3.396 645TIP3 H2 8245 1.533 -3.713 -3.537 646TIP3 OH2 8246 2.066 -3.525 -3.510 646TIP3 H1 8247 2.135 -3.580 -3.469 646TIP3 H2 8248 2.014 -3.592 -3.558 647TIP3 OH2 8249 3.180 -3.848 -2.941 647TIP3 H1 8250 3.105 -3.796 -2.976 647TIP3 H2 8251 3.141 -3.889 -2.864 648TIP3 OH2 8252 1.737 -4.056 -3.087 648TIP3 H1 8253 1.702 -4.001 -3.159 648TIP3 H2 8254 1.670 -4.037 -3.018 649TIP3 OH2 8255 2.486 -3.083 -3.750 649TIP3 H1 8256 2.452 -3.104 -3.838 649TIP3 H2 8257 2.443 -2.998 -3.731 650TIP3 OH2 8258 2.031 -3.270 -3.077 650TIP3 H1 8259 1.957 -3.211 -3.050 650TIP3 H2 8260 2.092 -3.207 -3.119 651TIP3 OH2 8261 2.833 -4.013 -3.467 651TIP3 H1 8262 2.785 -4.060 -3.398 651TIP3 H2 8263 2.885 -3.950 -3.415 652TIP3 OH2 8264 1.698 -3.855 -3.293 652TIP3 H1 8265 1.760 -3.795 -3.249 652TIP3 H2 8266 1.755 -3.890 -3.365 653TIP3 OH2 8267 1.829 -3.083 -3.006 653TIP3 H1 8268 1.826 -2.990 -3.033 653TIP3 H2 8269 1.743 -3.089 -2.960 654TIP3 OH2 8270 1.462 -3.112 -3.919 654TIP3 H1 8271 1.440 -3.069 -4.003 654TIP3 H2 8272 1.476 -3.038 -3.857 655TIP3 OH2 8273 2.805 -2.967 -3.239 655TIP3 H1 8274 2.709 -2.953 -3.237 655TIP3 H2 8275 2.836 -2.882 -3.275 656TIP3 OH2 8276 2.849 -4.110 -3.066 656TIP3 H1 8277 2.768 -4.078 -3.109 656TIP3 H2 8278 2.915 -4.097 -3.136 657TIP3 OH2 8279 2.159 4.381 -3.365 657TIP3 H1 8280 2.154 4.286 -3.353 657TIP3 H2 8281 2.072 4.413 -3.332 658TIP3 OH2 8282 2.636 -2.772 -3.584 658TIP3 H1 8283 2.684 -2.852 -3.614 658TIP3 H2 8284 2.706 -2.705 -3.592 659TIP3 OH2 8285 2.779 -2.985 -3.719 659TIP3 H1 8286 2.730 -3.033 -3.787 659TIP3 H2 8287 2.777 -3.050 -3.646 660TIP3 OH2 8288 2.934 -3.105 -2.871 660TIP3 H1 8289 2.925 -3.170 -2.943 660TIP3 H2 8290 2.949 -3.022 -2.920 661TIP3 OH2 8291 2.364 -3.420 -3.907 661TIP3 H1 8292 2.298 -3.355 -3.938 661TIP3 H2 8293 2.437 -3.405 -3.968 662TIP3 OH2 8294 2.385 -3.590 -4.213 662TIP3 H1 8295 2.448 -3.562 -4.145 662TIP3 H2 8296 2.441 -3.652 -4.265 663TIP3 OH2 8297 3.110 -3.489 -3.077 663TIP3 H1 8298 3.039 -3.422 -3.069 663TIP3 H2 8299 3.160 -3.454 -3.154 664TIP3 OH2 8300 2.711 -3.417 -3.795 664TIP3 H1 8301 2.644 -3.395 -3.727 664TIP3 H2 8302 2.774 -3.470 -3.742 665TIP3 OH2 8303 2.697 -3.562 -2.910 665TIP3 H1 8304 2.703 -3.481 -2.857 665TIP3 H2 8305 2.632 -3.532 -2.976 666TIP3 OH2 8306 1.873 -3.337 -3.617 666TIP3 H1 8307 1.842 -3.381 -3.698 666TIP3 H2 8308 1.937 -3.402 -3.582 667TIP3 OH2 8309 2.010 -2.995 -3.343 667TIP3 H1 8310 1.998 -3.038 -3.429 667TIP3 H2 8311 2.088 -3.042 -3.309 668TIP3 OH2 8312 1.933 -3.458 -3.267 668TIP3 H1 8313 1.990 -3.452 -3.345 668TIP3 H2 8314 1.970 -3.389 -3.208 669TIP3 OH2 8315 2.523 -2.902 -3.208 669TIP3 H1 8316 2.530 -2.838 -3.135 669TIP3 H2 8317 2.503 -2.986 -3.163 670TIP3 OH2 8318 2.015 -3.025 -2.784 670TIP3 H1 8319 1.964 -2.958 -2.734 670TIP3 H2 8320 1.950 -3.050 -2.852 671TIP3 OH2 8321 2.622 -3.469 -4.057 671TIP3 H1 8322 2.661 -3.443 -3.971 671TIP3 H2 8323 2.684 -3.425 -4.119 672TIP3 OH2 8324 1.709 -3.385 -2.872 672TIP3 H1 8325 1.714 -3.327 -2.793 672TIP3 H2 8326 1.612 -3.398 -2.879 673TIP3 OH2 8327 2.351 -2.810 -3.694 673TIP3 H1 8328 2.404 -2.784 -3.618 673TIP3 H2 8329 2.305 -2.728 -3.718 674TIP3 OH2 8330 1.826 -2.809 -2.702 674TIP3 H1 8331 1.812 -2.804 -2.798 674TIP3 H2 8332 1.737 -2.833 -2.668 675TIP3 OH2 8333 2.940 -4.335 -4.128 675TIP3 H1 8334 2.892 -4.332 -4.043 675TIP3 H2 8335 3.006 -4.266 -4.112 676TIP3 OH2 8336 1.767 -3.464 -3.865 676TIP3 H1 8337 1.741 -3.387 -3.919 676TIP3 H2 8338 1.697 -3.527 -3.885 677TIP3 OH2 8339 3.069 -2.882 -4.246 677TIP3 H1 8340 3.095 -2.794 -4.217 677TIP3 H2 8341 3.151 -2.933 -4.237 678TIP3 OH2 8342 1.371 -3.196 -2.990 678TIP3 H1 8343 1.326 -3.197 -3.077 678TIP3 H2 8344 1.383 -3.291 -2.972 679TIP3 OH2 8345 1.376 -2.902 -3.298 679TIP3 H1 8346 1.468 -2.932 -3.290 679TIP3 H2 8347 1.369 -2.842 -3.222 680TIP3 OH2 8348 3.215 -2.840 -2.719 680TIP3 H1 8349 3.206 -2.934 -2.741 680TIP3 H2 8350 3.123 -2.819 -2.690 681TIP3 OH2 8351 2.279 -2.920 -2.840 681TIP3 H1 8352 2.287 -2.838 -2.787 681TIP3 H2 8353 2.189 -2.950 -2.816 682TIP3 OH2 8354 2.309 -2.539 -3.846 682TIP3 H1 8355 2.308 -2.528 -3.943 682TIP3 H2 8356 2.316 -2.448 -3.814 683TIP3 OH2 8357 1.687 -2.625 -3.680 683TIP3 H1 8358 1.705 -2.669 -3.594 683TIP3 H2 8359 1.603 -2.666 -3.703 684TIP3 OH2 8360 2.619 -2.567 -4.107 684TIP3 H1 8361 2.673 -2.608 -4.175 684TIP3 H2 8362 2.627 -2.628 -4.031 685TIP3 OH2 8363 2.581 -2.665 -3.853 685TIP3 H1 8364 2.489 -2.642 -3.831 685TIP3 H2 8365 2.602 -2.726 -3.781 686TIP3 OH2 8366 2.894 -3.709 -2.679 686TIP3 H1 8367 2.842 -3.668 -2.750 686TIP3 H2 8368 2.900 -3.801 -2.711 687TIP3 OH2 8369 1.590 -3.042 -2.867 687TIP3 H1 8370 1.617 -3.087 -2.784 687TIP3 H2 8371 1.516 -3.096 -2.898 688TIP3 OH2 8372 1.912 -4.219 -3.274 688TIP3 H1 8373 1.830 -4.246 -3.318 688TIP3 H2 8374 1.883 -4.137 -3.231 689TIP3 OH2 8375 2.367 -4.262 -2.916 689TIP3 H1 8376 2.384 -4.310 -2.834 689TIP3 H2 8377 2.272 -4.277 -2.927 690TIP3 OH2 8378 2.665 -3.863 -2.873 690TIP3 H1 8379 2.604 -3.874 -2.797 690TIP3 H2 8380 2.658 -3.768 -2.892 691TIP3 OH2 8381 2.836 -3.385 -4.252 691TIP3 H1 8382 2.800 -3.396 -4.341 691TIP3 H2 8383 2.876 -3.297 -4.261 692TIP3 OH2 8384 2.328 -3.998 -4.214 692TIP3 H1 8385 2.273 -3.995 -4.133 692TIP3 H2 8386 2.278 -4.063 -4.264 693TIP3 OH2 8387 1.895 -3.716 -3.147 693TIP3 H1 8388 1.836 -3.704 -3.072 693TIP3 H2 8389 1.902 -3.624 -3.183 694TIP3 OH2 8390 1.889 -3.708 -3.659 694TIP3 H1 8391 1.793 -3.719 -3.674 694TIP3 H2 8392 1.923 -3.727 -3.749 695TIP3 OH2 8393 2.456 -3.655 -3.786 695TIP3 H1 8394 2.416 -3.570 -3.817 695TIP3 H2 8395 2.522 -3.671 -3.857 696TIP3 OH2 8396 2.370 -3.633 -2.650 696TIP3 H1 8397 2.318 -3.705 -2.611 696TIP3 H2 8398 2.456 -3.643 -2.605 697TIP3 OH2 8399 2.536 -3.712 -3.505 697TIP3 H1 8400 2.508 -3.653 -3.578 697TIP3 H2 8401 2.556 -3.793 -3.556 698TIP3 OH2 8402 1.633 -3.697 -2.966 698TIP3 H1 8403 1.656 -3.668 -2.877 698TIP3 H2 8404 1.592 -3.784 -2.947 699TIP3 OH2 8405 2.005 -3.958 -4.315 699TIP3 H1 8406 1.973 -3.985 -4.227 699TIP3 H2 8407 1.928 -3.906 -4.347 700TIP3 OH2 8408 1.316 -3.946 -3.605 700TIP3 H1 8409 1.368 -3.957 -3.523 700TIP3 H2 8410 1.365 -3.997 -3.670 701TIP3 OH2 8411 1.469 -3.911 -4.039 701TIP3 H1 8412 1.526 -3.860 -4.100 701TIP3 H2 8413 1.402 -3.844 -4.015 702TIP3 OH2 8414 2.445 -3.543 -3.059 702TIP3 H1 8415 2.489 -3.616 -3.108 702TIP3 H2 8416 2.412 -3.589 -2.981 703TIP3 OH2 8417 2.166 -3.944 -3.561 703TIP3 H1 8418 2.072 -3.957 -3.539 703TIP3 H2 8419 2.210 -3.971 -3.479 704TIP3 OH2 8420 1.627 -3.826 -3.693 704TIP3 H1 8421 1.542 -3.801 -3.732 704TIP3 H2 8422 1.650 -3.909 -3.738 705TIP3 OH2 8423 1.984 -3.788 -3.923 705TIP3 H1 8424 2.080 -3.782 -3.917 705TIP3 H2 8425 1.960 -3.728 -3.995 706TIP3 OH2 8426 2.601 -4.033 -3.256 706TIP3 H1 8427 2.538 -4.035 -3.181 706TIP3 H2 8428 2.542 -4.064 -3.327 707TIP3 OH2 8429 1.843 -3.673 -4.158 707TIP3 H1 8430 1.780 -3.721 -4.213 707TIP3 H2 8431 1.917 -3.657 -4.218 708TIP3 OH2 8432 2.902 -2.448 -2.587 708TIP3 H1 8433 2.935 -2.422 -2.675 708TIP3 H2 8434 2.978 -2.429 -2.529 709TIP3 OH2 8435 1.697 -3.195 -2.647 709TIP3 H1 8436 1.764 -3.186 -2.576 709TIP3 H2 8437 1.616 -3.197 -2.592 710TIP3 OH2 8438 2.268 -3.694 -3.375 710TIP3 H1 8439 2.341 -3.738 -3.421 710TIP3 H2 8440 2.251 -3.755 -3.301 711TIP3 OH2 8441 1.783 -4.067 -3.758 711TIP3 H1 8442 1.735 -4.151 -3.744 711TIP3 H2 8443 1.870 -4.098 -3.786 712TIP3 OH2 8444 2.165 -3.848 -3.149 712TIP3 H1 8445 2.088 -3.788 -3.149 712TIP3 H2 8446 2.214 -3.821 -3.068 713TIP3 OH2 8447 2.182 -3.212 -3.960 713TIP3 H1 8448 2.104 -3.260 -3.994 713TIP3 H2 8449 2.161 -3.204 -3.864 714TIP3 OH2 8450 2.902 -3.294 -3.087 714TIP3 H1 8451 2.952 -3.239 -3.151 714TIP3 H2 8452 2.816 -3.304 -3.133 715TIP3 OH2 8453 2.595 -3.924 -4.197 715TIP3 H1 8454 2.498 -3.936 -4.186 715TIP3 H2 8455 2.618 -3.859 -4.128 716TIP3 OH2 8456 2.344 -3.208 -2.828 716TIP3 H1 8457 2.314 -3.241 -2.742 716TIP3 H2 8458 2.312 -3.116 -2.828 717TIP3 OH2 8459 2.657 -3.751 -3.991 717TIP3 H1 8460 2.742 -3.766 -3.944 717TIP3 H2 8461 2.670 -3.661 -4.028 718TIP3 OH2 8462 1.694 -3.270 -3.378 718TIP3 H1 8463 1.749 -3.282 -3.457 718TIP3 H2 8464 1.702 -3.356 -3.334 719TIP3 OH2 8465 2.424 -3.075 -4.070 719TIP3 H1 8466 2.396 -2.987 -4.038 719TIP3 H2 8467 2.347 -3.129 -4.042 720TIP3 OH2 8468 1.419 -3.444 -2.852 720TIP3 H1 8469 1.434 -3.487 -2.766 720TIP3 H2 8470 1.358 -3.505 -2.897 721TIP3 OH2 8471 2.116 -3.493 -2.653 721TIP3 H1 8472 2.080 -3.518 -2.740 721TIP3 H2 8473 2.209 -3.519 -2.664 722TIP3 OH2 8474 2.573 -2.938 -2.882 722TIP3 H1 8475 2.476 -2.939 -2.888 722TIP3 H2 8476 2.587 -2.922 -2.787 723TIP3 OH2 8477 3.128 -3.737 -4.001 723TIP3 H1 8478 3.062 -3.754 -4.071 723TIP3 H2 8479 3.140 -3.642 -4.016 724TIP3 OH2 8480 3.168 -3.142 -2.723 724TIP3 H1 8481 3.074 -3.119 -2.743 724TIP3 H2 8482 3.201 -3.158 -2.814 725TIP3 OH2 8483 2.939 -2.883 -3.994 725TIP3 H1 8484 2.928 -2.960 -3.937 725TIP3 H2 8485 2.985 -2.920 -4.071 726TIP3 OH2 8486 2.667 -3.350 -3.256 726TIP3 H1 8487 2.574 -3.366 -3.280 726TIP3 H2 8488 2.711 -3.422 -3.305 727TIP3 OH2 8489 1.931 -2.943 -3.657 727TIP3 H1 8490 1.972 -2.856 -3.665 727TIP3 H2 8491 1.838 -2.923 -3.673 728TIP3 OH2 8492 1.538 -3.451 -4.199 728TIP3 H1 8493 1.592 -3.385 -4.152 728TIP3 H2 8494 1.448 -3.431 -4.168 729TIP3 OH2 8495 2.113 -3.173 -3.693 729TIP3 H1 8496 2.083 -3.082 -3.676 729TIP3 H2 8497 2.044 -3.224 -3.648 730TIP3 OH2 8498 2.131 -2.747 -3.056 730TIP3 H1 8499 2.187 -2.672 -3.082 730TIP3 H2 8500 2.191 -2.796 -2.997 731TIP3 OH2 8501 1.975 -2.652 -3.735 731TIP3 H1 8502 1.879 -2.639 -3.724 731TIP3 H2 8503 2.009 -2.565 -3.708 732TIP3 OH2 8504 2.471 -3.171 -3.098 732TIP3 H1 8505 2.442 -3.200 -3.010 732TIP3 H2 8506 2.545 -3.232 -3.115 733TIP3 OH2 8507 2.684 -3.043 -4.200 733TIP3 H1 8508 2.739 -3.075 -4.126 733TIP3 H2 8509 2.597 -3.053 -4.158 734TIP3 OH2 8510 2.768 -2.710 -2.864 734TIP3 H1 8511 2.693 -2.762 -2.899 734TIP3 H2 8512 2.768 -2.633 -2.921 735TIP3 OH2 8513 3.174 -2.597 -4.161 735TIP3 H1 8514 3.248 -2.535 -4.140 735TIP3 H2 8515 3.097 -2.542 -4.137 736TIP3 OH2 8516 1.552 -3.961 -2.893 736TIP3 H1 8517 1.461 -3.943 -2.924 736TIP3 H2 8518 1.536 -4.047 -2.849 737TIP3 OH2 8519 2.785 -3.186 -3.970 737TIP3 H1 8520 2.760 -3.254 -3.905 737TIP3 H2 8521 2.882 -3.184 -3.961 738TIP3 OH2 8522 1.528 -2.804 -3.053 738TIP3 H1 8523 1.557 -2.894 -3.030 738TIP3 H2 8524 1.544 -2.759 -2.969 739TIP3 OH2 8525 2.135 -2.940 -4.328 739TIP3 H1 8526 2.174 -3.025 -4.354 739TIP3 H2 8527 2.082 -2.967 -4.250 740TIP3 OH2 8528 1.993 -2.984 -4.076 740TIP3 H1 8529 2.043 -3.037 -4.012 740TIP3 H2 8530 2.013 -2.893 -4.049 741TIP3 OH2 8531 1.679 -3.248 -4.037 741TIP3 H1 8532 1.603 -3.207 -3.989 741TIP3 H2 8533 1.725 -3.168 -4.067 742TIP3 OH2 8534 2.443 -4.009 -3.027 742TIP3 H1 8535 2.504 -3.981 -2.958 742TIP3 H2 8536 2.405 -4.091 -2.993 743TIP3 OH2 8537 2.524 -4.050 -3.923 743TIP3 H1 8538 2.538 -3.984 -3.992 743TIP3 H2 8539 2.557 -4.003 -3.845 744TIP3 OH2 8540 2.287 -2.827 -4.029 744TIP3 H1 8541 2.210 -2.774 -4.001 744TIP3 H2 8542 2.340 -2.760 -4.074 745TIP3 OH2 8543 2.254 -3.850 -3.812 745TIP3 H1 8544 2.329 -3.789 -3.797 745TIP3 H2 8545 2.223 -3.866 -3.721 746TIP3 OH2 8546 2.288 -3.761 -2.901 746TIP3 H1 8547 2.295 -3.709 -2.818 746TIP3 H2 8548 2.345 -3.837 -2.881 747TIP3 OH2 8549 2.330 -4.171 -3.712 747TIP3 H1 8550 2.295 -4.096 -3.661 747TIP3 H2 8551 2.381 -4.126 -3.781 748TIP3 OH2 8552 2.007 -2.707 -4.025 748TIP3 H1 8553 2.012 -2.621 -4.072 748TIP3 H2 8554 1.994 -2.679 -3.932 749TIP3 OH2 8555 1.882 -4.043 -4.076 749TIP3 H1 8556 1.875 -3.968 -4.016 749TIP3 H2 8557 1.965 -4.083 -4.044 750TIP3 OH2 8558 2.926 -3.964 -2.818 750TIP3 H1 8559 2.829 -3.952 -2.827 750TIP3 H2 8560 2.946 -3.988 -2.909 751TIP3 OH2 8561 2.767 -3.574 -3.409 751TIP3 H1 8562 2.685 -3.620 -3.435 751TIP3 H2 8563 2.816 -3.645 -3.362 752TIP3 OH2 8564 1.719 -2.950 -4.157 752TIP3 H1 8565 1.802 -2.922 -4.113 752TIP3 H2 8566 1.756 -3.002 -4.230 753TIP3 OH2 8567 1.547 -3.734 -4.257 753TIP3 H1 8568 1.558 -3.638 -4.239 753TIP3 H2 8569 1.455 -3.736 -4.289 754TIP3 OH2 8570 2.864 -2.678 -3.252 754TIP3 H1 8571 2.850 -2.603 -3.312 754TIP3 H2 8572 2.960 -2.673 -3.239 755TIP3 OH2 8573 1.551 -4.241 -3.353 755TIP3 H1 8574 1.591 -4.245 -3.440 755TIP3 H2 8575 1.568 -4.332 -3.323 756TIP3 OH2 8576 1.519 -2.886 -3.747 756TIP3 H1 8577 1.440 -2.836 -3.724 756TIP3 H2 8578 1.556 -2.835 -3.820 757TIP3 OH2 8579 1.458 -2.596 -2.625 757TIP3 H1 8580 1.515 -2.624 -2.551 757TIP3 H2 8581 1.419 -2.681 -2.653 758TIP3 OH2 8582 1.928 -2.692 -2.451 758TIP3 H1 8583 1.998 -2.755 -2.428 758TIP3 H2 8584 1.906 -2.719 -2.542 759TIP3 OH2 8585 2.353 -2.756 -4.330 759TIP3 H1 8586 2.273 -2.812 -4.325 759TIP3 H2 8587 2.419 -2.822 -4.356 760TIP3 OH2 8588 2.581 -2.867 -2.595 760TIP3 H1 8589 2.538 -2.945 -2.555 760TIP3 H2 8590 2.646 -2.843 -2.527 761TIP3 OH2 8591 2.707 -2.817 4.312 761TIP3 H1 8592 2.706 -2.891 4.374 761TIP3 H2 8593 2.796 -2.821 4.276 762TIP3 OH2 8594 1.456 -3.235 -2.517 762TIP3 H1 8595 1.464 -3.326 -2.550 762TIP3 H2 8596 1.378 -3.204 -2.567 763TIP3 OH2 8597 1.881 -3.180 -4.308 763TIP3 H1 8598 1.898 -3.245 -4.239 763TIP3 H2 8599 1.954 -3.194 -4.370 764TIP3 OH2 8600 2.121 -3.216 -2.583 764TIP3 H1 8601 2.087 -3.183 -2.668 764TIP3 H2 8602 2.125 -3.312 -2.598 765TIP3 OH2 8603 2.410 -3.077 -4.347 765TIP3 H1 8604 2.425 -3.062 -4.252 765TIP3 H2 8605 2.476 -3.144 -4.368 766TIP3 OH2 8606 2.656 -3.254 -2.844 766TIP3 H1 8607 2.733 -3.199 -2.863 766TIP3 H2 8608 2.585 -3.188 -2.843 767TIP3 OH2 8609 1.542 -3.522 -2.600 767TIP3 H1 8610 1.615 -3.586 -2.597 767TIP3 H2 8611 1.536 -3.499 -2.506 768TIP3 OH2 8612 1.984 -3.384 -4.091 768TIP3 H1 8613 1.922 -3.428 -4.030 768TIP3 H2 8614 2.018 -3.459 -4.143 769TIP3 OH2 8615 1.908 -3.609 -2.855 769TIP3 H1 8616 1.853 -3.531 -2.836 769TIP3 H2 8617 1.972 -3.572 -2.919 770TIP3 OH2 8618 2.103 -3.575 -4.273 770TIP3 H1 8619 2.106 -3.598 -4.367 770TIP3 H2 8620 2.199 -3.577 -4.251 771TIP3 OH2 8621 2.437 -3.338 -2.502 771TIP3 H1 8622 2.528 -3.356 -2.530 771TIP3 H2 8623 2.413 -3.421 -2.459 772TIP3 OH2 8624 1.967 -3.878 -2.746 772TIP3 H1 8625 1.974 -3.944 -2.817 772TIP3 H2 8626 1.945 -3.797 -2.795 773TIP3 OH2 8627 2.005 -4.038 -3.003 773TIP3 H1 8628 2.056 -3.982 -3.064 773TIP3 H2 8629 1.913 -4.027 -3.037 774TIP3 OH2 8630 2.155 -3.488 -2.957 774TIP3 H1 8631 2.239 -3.495 -3.005 774TIP3 H2 8632 2.123 -3.400 -2.987 775TIP3 OH2 8633 2.611 -3.693 -2.480 775TIP3 H1 8634 2.633 -3.786 -2.463 775TIP3 H2 8635 2.699 -3.652 -2.483 776TIP3 OH2 8636 2.711 -3.416 -2.631 776TIP3 H1 8637 2.675 -3.354 -2.698 776TIP3 H2 8638 2.801 -3.428 -2.667 777TIP3 OH2 8639 1.789 -3.697 -2.561 777TIP3 H1 8640 1.736 -3.777 -2.561 777TIP3 H2 8641 1.869 -3.726 -2.608 778TIP3 OH2 8642 2.053 -4.278 -2.881 778TIP3 H1 8643 2.063 -4.187 -2.916 778TIP3 H2 8644 1.960 -4.293 -2.903 779TIP3 OH2 8645 2.201 -3.845 -2.586 779TIP3 H1 8646 2.168 -3.871 -2.498 779TIP3 H2 8647 2.120 -3.863 -2.638 780TIP3 OH2 8648 2.458 -3.945 -2.688 780TIP3 H1 8649 2.369 -3.929 -2.652 780TIP3 H2 8650 2.493 -4.009 -2.623 781TIP3 OH2 8651 2.642 -4.139 -2.513 781TIP3 H1 8652 2.610 -4.224 -2.480 781TIP3 H2 8653 2.616 -4.077 -2.442 782TIP3 OH2 8654 1.668 -3.961 -2.575 782TIP3 H1 8655 1.640 -4.020 -2.646 782TIP3 H2 8656 1.621 -3.997 -2.498 783TIP3 OH2 8657 2.163 -4.146 -2.475 783TIP3 H1 8658 2.139 -4.228 -2.522 783TIP3 H2 8659 2.078 -4.099 -2.469 784TIP3 OH2 8660 2.063 -2.458 -4.171 784TIP3 H1 8661 2.159 -2.448 -4.163 784TIP3 H2 8662 2.040 -2.398 -4.243 785TIP3 OH2 8663 1.449 -3.052 -4.194 785TIP3 H1 8664 1.539 -3.016 -4.199 785TIP3 H2 8665 1.441 -3.105 -4.275 786TIP3 OH2 8666 1.351 -2.501 -3.720 786TIP3 H1 8667 1.279 -2.537 -3.776 786TIP3 H2 8668 1.356 -2.569 -3.650 787TIP3 OH2 8669 1.388 -2.698 -3.520 787TIP3 H1 8670 1.358 -2.785 -3.489 787TIP3 H2 8671 1.420 -2.662 -3.436 788TIP3 OH2 8672 3.138 -2.550 -3.204 788TIP3 H1 8673 3.172 -2.581 -3.119 788TIP3 H2 8674 3.218 -2.548 -3.258 789TIP3 OH2 8675 3.128 -2.618 -2.920 789TIP3 H1 8676 3.079 -2.692 -2.962 789TIP3 H2 8677 3.186 -2.671 -2.862 790TIP3 OH2 8678 2.931 -3.085 -2.502 790TIP3 H1 8679 2.842 -3.076 -2.462 790TIP3 H2 8680 2.976 -3.005 -2.471 791TIP3 OH2 8681 3.070 -3.202 -3.931 791TIP3 H1 8682 3.158 -3.160 -3.919 791TIP3 H2 8683 3.071 -3.263 -3.855 792TIP3 OH2 8684 3.116 -3.403 -3.734 792TIP3 H1 8685 3.051 -3.457 -3.686 792TIP3 H2 8686 3.185 -3.386 -3.666 793TIP3 OH2 8687 3.087 -3.149 -3.235 793TIP3 H1 8688 3.151 -3.197 -3.291 793TIP3 H2 8689 3.108 -3.057 -3.260 794TIP3 OH2 8690 2.963 -2.857 -3.009 794TIP3 H1 8691 2.889 -2.818 -2.960 794TIP3 H2 8692 2.920 -2.895 -3.087 795TIP3 OH2 8693 3.142 -3.436 -4.108 795TIP3 H1 8694 3.084 -3.399 -4.176 795TIP3 H2 8695 3.128 -3.370 -4.037 796TIP3 OH2 8696 2.963 -3.697 -4.220 796TIP3 H1 8697 2.999 -3.621 -4.268 796TIP3 H2 8698 3.011 -3.770 -4.260 797TIP3 OH2 8699 2.909 -3.586 -3.650 797TIP3 H1 8700 2.900 -3.681 -3.665 797TIP3 H2 8701 2.872 -3.576 -3.560 798TIP3 OH2 8702 1.395 -3.364 -3.280 798TIP3 H1 8703 1.420 -3.359 -3.374 798TIP3 H2 8704 1.481 -3.386 -3.239 799TIP3 OH2 8705 2.971 -3.393 -2.734 799TIP3 H1 8706 3.046 -3.454 -2.719 799TIP3 H2 8707 3.016 -3.310 -2.755 800TIP3 OH2 8708 3.126 -3.584 -2.613 800TIP3 H1 8709 3.047 -3.636 -2.637 800TIP3 H2 8710 3.196 -3.652 -2.616 801TIP3 OH2 8711 2.891 -4.023 -4.341 801TIP3 H1 8712 2.950 -4.044 -4.267 801TIP3 H2 8713 2.803 -4.044 -4.306 802TIP3 OH2 8714 2.886 -3.827 -3.837 802TIP3 H1 8715 2.908 -3.922 -3.828 802TIP3 H2 8716 2.971 -3.792 -3.870 803TIP3 OH2 8717 2.920 -3.774 -3.292 803TIP3 H1 8718 3.017 -3.767 -3.294 803TIP3 H2 8719 2.905 -3.775 -3.196 804TIP3 OH2 8720 2.934 -3.706 -3.006 804TIP3 H1 8721 2.850 -3.664 -2.980 804TIP3 H2 8722 2.989 -3.629 -3.028 805TIP3 OH2 8723 1.381 -3.835 -2.626 805TIP3 H1 8724 1.472 -3.859 -2.645 805TIP3 H2 8725 1.336 -3.921 -2.630 806TIP3 OH2 8726 3.142 -4.281 -2.433 806TIP3 H1 8727 3.214 -4.345 -2.447 806TIP3 H2 8728 3.151 -4.217 -2.507 807TIP3 OH2 8729 2.924 -4.097 -3.823 807TIP3 H1 8730 2.948 -4.146 -3.743 807TIP3 H2 8731 2.862 -4.159 -3.865 808TIP3 OH2 8732 1.456 -3.989 -3.362 808TIP3 H1 8733 1.486 -4.082 -3.350 808TIP3 H2 8734 1.530 -3.940 -3.322 809TIP3 OH2 8735 1.317 -3.729 -3.256 809TIP3 H1 8736 1.375 -3.733 -3.334 809TIP3 H2 8737 1.354 -3.653 -3.209 810TIP3 OH2 8738 3.129 -4.111 -2.644 810TIP3 H1 8739 3.044 -4.063 -2.638 810TIP3 H2 8740 3.121 -4.147 -2.735 811TIP3 OH2 8741 3.141 -4.072 -4.176 811TIP3 H1 8742 3.170 -4.146 -4.231 811TIP3 H2 8743 3.222 -4.019 -4.169 812TIP3 OH2 8744 1.372 -4.098 -3.851 812TIP3 H1 8745 1.276 -4.098 -3.871 812TIP3 H2 8746 1.408 -4.032 -3.913 813TIP3 OH2 8747 2.829 -2.570 -3.640 813TIP3 H1 8748 2.877 -2.596 -3.720 813TIP3 H2 8749 2.901 -2.532 -3.588 814TIP3 OH2 8750 1.349 -4.126 -3.000 814TIP3 H1 8751 1.349 -4.220 -2.973 814TIP3 H2 8752 1.325 -4.134 -3.093 815TIP3 OH2 8753 1.570 -2.897 -2.568 815TIP3 H1 8754 1.496 -2.896 -2.630 815TIP3 H2 8755 1.526 -2.900 -2.482 816TIP3 OH2 8756 1.854 -2.800 -3.001 816TIP3 H1 8757 1.822 -2.714 -3.033 816TIP3 H2 8758 1.950 -2.789 -3.018 817TIP3 OH2 8759 2.306 -2.670 -2.699 817TIP3 H1 8760 2.316 -2.685 -2.603 817TIP3 H2 8761 2.389 -2.623 -2.720 818TIP3 OH2 8762 2.537 -2.516 -2.776 818TIP3 H1 8763 2.601 -2.587 -2.796 818TIP3 H2 8764 2.563 -2.492 -2.685 819TIP3 OH2 8765 2.993 -4.277 -2.854 819TIP3 H1 8766 2.943 -4.214 -2.908 819TIP3 H2 8767 3.010 -4.345 -2.921 820TIP3 OH2 8768 1.590 -2.506 -2.968 820TIP3 H1 8769 1.531 -2.443 -3.012 820TIP3 H2 8770 1.566 -2.490 -2.876 821TIP3 OH2 8771 1.841 -2.524 -3.111 821TIP3 H1 8772 1.756 -2.509 -3.066 821TIP3 H2 8773 1.840 -2.454 -3.178 822TIP3 OH2 8774 2.318 -2.526 -3.155 822TIP3 H1 8775 2.278 -2.481 -3.232 822TIP3 H2 8776 2.323 -2.453 -3.091 823TIP3 OH2 8777 2.557 -2.644 -3.065 823TIP3 H1 8778 2.468 -2.620 -3.097 823TIP3 H2 8779 2.603 -2.559 -3.071 824TIP3 OH2 8780 2.805 -2.434 -3.059 824TIP3 H1 8781 2.781 -2.366 -3.123 824TIP3 H2 8782 2.831 -2.504 -3.122 825TIP3 OH2 8783 1.552 -2.622 -3.273 825TIP3 H1 8784 1.546 -2.669 -3.188 825TIP3 H2 8785 1.627 -2.668 -3.315 826TIP3 OH2 8786 1.753 -2.749 -3.431 826TIP3 H1 8787 1.735 -2.841 -3.401 826TIP3 H2 8788 1.843 -2.734 -3.395 827TIP3 OH2 8789 2.029 -2.700 -3.339 827TIP3 H1 8790 2.046 -2.794 -3.361 827TIP3 H2 8791 2.034 -2.704 -3.243 828TIP3 OH2 8792 2.357 -4.112 -3.411 828TIP3 H1 8793 2.295 -4.182 -3.382 828TIP3 H2 8794 2.417 -4.162 -3.469 829TIP3 OH2 8795 2.886 -4.329 -3.364 829TIP3 H1 8796 2.945 -4.288 -3.430 829TIP3 H2 8797 2.798 -4.306 -3.396 830TIP3 OH2 8798 3.081 -4.225 -3.583 830TIP3 H1 8799 3.134 -4.246 -3.660 830TIP3 H2 8800 3.100 -4.130 -3.569 831TIP3 OH2 8801 1.594 -4.284 -3.682 831TIP3 H1 8802 1.500 -4.300 -3.697 831TIP3 H2 8803 1.624 -4.366 -3.641 832TIP3 OH2 8804 1.456 -4.282 -4.068 832TIP3 H1 8805 1.505 -4.228 -4.133 832TIP3 H2 8806 1.416 -4.214 -4.012 833TIP3 OH2 8807 2.043 -4.231 -3.658 833TIP3 H1 8808 2.139 -4.234 -3.669 833TIP3 H2 8809 2.027 -4.290 -3.583 834TIP3 OH2 8810 2.598 -4.265 -3.515 834TIP3 H1 8811 2.630 -4.263 -3.606 834TIP3 H2 8812 2.583 -4.359 -3.499 835TIP3 OH2 8813 2.705 -4.271 -3.917 835TIP3 H1 8814 2.631 -4.214 -3.943 835TIP3 H2 8815 2.667 -4.359 -3.919 836TIP3 OH2 8816 1.483 -2.695 -3.966 836TIP3 H1 8817 1.411 -2.698 -4.032 836TIP3 H2 8818 1.482 -2.602 -3.942 837TIP3 OH2 8819 1.642 -4.121 -4.226 837TIP3 H1 8820 1.705 -4.164 -4.285 837TIP3 H2 8821 1.702 -4.062 -4.176 838TIP3 OH2 8822 2.166 -4.057 -3.986 838TIP3 H1 8823 2.176 -4.142 -3.939 838TIP3 H2 8824 2.185 -3.991 -3.917 839TIP3 OH2 8825 2.349 -2.529 -4.147 839TIP3 H1 8826 2.447 -2.517 -4.139 839TIP3 H2 8827 2.347 -2.591 -4.222 840TIP3 OH2 8828 3.022 -2.615 -3.880 840TIP3 H1 8829 2.994 -2.697 -3.926 840TIP3 H2 8830 3.000 -2.546 -3.945 841TIP3 OH2 8831 1.556 -4.178 -2.731 841TIP3 H1 8832 1.509 -4.257 -2.701 841TIP3 H2 8833 1.644 -4.216 -2.743 842TIP3 OH2 8834 1.849 -4.279 -2.468 842TIP3 H1 8835 1.936 -4.306 -2.506 842TIP3 H2 8836 1.824 -4.357 -2.417 843TIP3 OH2 8837 1.685 -2.587 -4.232 843TIP3 H1 8838 1.639 -2.565 -4.150 843TIP3 H2 8839 1.745 -2.657 -4.206 844TIP3 OH2 8840 2.963 -2.735 -2.643 844TIP3 H1 8841 2.889 -2.757 -2.703 844TIP3 H2 8842 2.939 -2.644 -2.617 845TIP3 OH2 8843 4.215 -3.463 -3.312 845TIP3 H1 8844 4.292 -3.430 -3.262 845TIP3 H2 8845 4.246 -3.459 -3.403 846TIP3 OH2 8846 3.516 -3.466 -3.153 846TIP3 H1 8847 3.516 -3.538 -3.088 846TIP3 H2 8848 3.586 -3.409 -3.118 847TIP3 OH2 8849 3.577 -2.999 -3.286 847TIP3 H1 8850 3.554 -3.082 -3.331 847TIP3 H2 8851 3.673 -3.001 -3.290 848TIP3 OH2 8852 3.282 -3.664 -3.764 848TIP3 H1 8853 3.247 -3.575 -3.748 848TIP3 H2 8854 3.206 -3.707 -3.806 849TIP3 OH2 8855 3.358 -3.418 -3.583 849TIP3 H1 8856 3.378 -3.496 -3.528 849TIP3 H2 8857 3.445 -3.396 -3.620 850TIP3 OH2 8858 4.120 -3.172 -3.253 850TIP3 H1 8859 4.146 -3.245 -3.311 850TIP3 H2 8860 4.204 -3.150 -3.210 851TIP3 OH2 8861 3.742 -3.942 -3.503 851TIP3 H1 8862 3.759 -3.855 -3.546 851TIP3 H2 8863 3.706 -3.991 -3.579 852TIP3 OH2 8864 3.411 -3.664 -3.454 852TIP3 H1 8865 3.474 -3.711 -3.396 852TIP3 H2 8866 3.421 -3.713 -3.537 853TIP3 OH2 8867 3.953 -3.528 -3.507 853TIP3 H1 8868 4.027 -3.581 -3.472 853TIP3 H2 8869 3.902 -3.598 -3.553 854TIP3 OH2 8870 3.621 -4.058 -3.088 854TIP3 H1 8871 3.590 -4.000 -3.159 854TIP3 H2 8872 3.555 -4.036 -3.018 855TIP3 OH2 8873 3.915 -3.275 -3.074 855TIP3 H1 8874 3.842 -3.214 -3.049 855TIP3 H2 8875 3.980 -3.214 -3.114 856TIP3 OH2 8876 3.584 -3.857 -3.293 856TIP3 H1 8877 3.646 -3.795 -3.249 856TIP3 H2 8878 3.641 -3.890 -3.366 857TIP3 OH2 8879 3.716 -3.084 -3.000 857TIP3 H1 8880 3.711 -2.997 -3.043 857TIP3 H2 8881 3.627 -3.087 -2.960 858TIP3 OH2 8882 3.341 -3.101 -3.917 858TIP3 H1 8883 3.327 -3.050 -3.998 858TIP3 H2 8884 3.372 -3.032 -3.853 859TIP3 OH2 8885 4.047 4.380 -3.363 859TIP3 H1 8886 4.040 4.285 -3.348 859TIP3 H2 8887 3.961 4.416 -3.332 860TIP3 OH2 8888 4.268 -3.431 -3.919 860TIP3 H1 8889 4.199 -3.361 -3.923 860TIP3 H2 8890 4.334 -3.392 -3.977 861TIP3 OH2 8891 4.287 -3.575 -4.213 861TIP3 H1 8892 4.353 -3.570 -4.142 861TIP3 H2 8893 4.300 -3.663 -4.247 862TIP3 OH2 8894 3.759 -3.341 -3.613 862TIP3 H1 8895 3.729 -3.381 -3.696 862TIP3 H2 8896 3.825 -3.405 -3.581 863TIP3 OH2 8897 3.898 -2.999 -3.339 863TIP3 H1 8898 3.885 -3.034 -3.428 863TIP3 H2 8899 3.977 -3.046 -3.308 864TIP3 OH2 8900 3.817 -3.459 -3.266 864TIP3 H1 8901 3.876 -3.457 -3.344 864TIP3 H2 8902 3.856 -3.390 -3.209 865TIP3 OH2 8903 3.903 -3.023 -2.784 865TIP3 H1 8904 3.852 -2.956 -2.736 865TIP3 H2 8905 3.839 -3.048 -2.855 866TIP3 OH2 8906 3.595 -3.389 -2.868 866TIP3 H1 8907 3.601 -3.327 -2.793 866TIP3 H2 8908 3.499 -3.397 -2.880 867TIP3 OH2 8909 4.257 -2.813 -3.701 867TIP3 H1 8910 4.300 -2.764 -3.629 867TIP3 H2 8911 4.201 -2.744 -3.741 868TIP3 OH2 8912 3.710 -2.804 -2.701 868TIP3 H1 8913 3.701 -2.802 -2.798 868TIP3 H2 8914 3.623 -2.835 -2.671 869TIP3 OH2 8915 3.654 -3.466 -3.867 869TIP3 H1 8916 3.628 -3.386 -3.916 869TIP3 H2 8917 3.580 -3.525 -3.886 870TIP3 OH2 8918 3.254 -3.196 -2.988 870TIP3 H1 8919 3.214 -3.194 -3.077 870TIP3 H2 8920 3.268 -3.292 -2.975 871TIP3 OH2 8921 3.259 -2.919 -3.281 871TIP3 H1 8922 3.353 -2.935 -3.302 871TIP3 H2 8923 3.265 -2.843 -3.223 872TIP3 OH2 8924 4.174 -2.922 -2.833 872TIP3 H1 8925 4.181 -2.833 -2.796 872TIP3 H2 8926 4.082 -2.948 -2.812 873TIP3 OH2 8927 4.189 -2.540 -3.845 873TIP3 H1 8928 4.204 -2.535 -3.941 873TIP3 H2 8929 4.207 -2.451 -3.813 874TIP3 OH2 8930 3.472 -3.039 -2.861 874TIP3 H1 8931 3.502 -3.090 -2.784 874TIP3 H2 8932 3.401 -3.094 -2.899 875TIP3 OH2 8933 3.798 -4.220 -3.274 875TIP3 H1 8934 3.716 -4.245 -3.318 875TIP3 H2 8935 3.772 -4.135 -3.234 876TIP3 OH2 8936 4.227 -4.309 -2.913 876TIP3 H1 8937 4.258 -4.314 -2.822 876TIP3 H2 8938 4.133 -4.283 -2.902 877TIP3 OH2 8939 4.221 -3.984 -4.205 877TIP3 H1 8940 4.156 -3.994 -4.133 877TIP3 H2 8941 4.191 -4.051 -4.266 878TIP3 OH2 8942 3.778 -3.715 -3.148 878TIP3 H1 8943 3.717 -3.701 -3.073 878TIP3 H2 8944 3.788 -3.624 -3.184 879TIP3 OH2 8945 3.775 -3.711 -3.658 879TIP3 H1 8946 3.679 -3.717 -3.675 879TIP3 H2 8947 3.809 -3.724 -3.748 880TIP3 OH2 8948 4.279 -3.673 -3.707 880TIP3 H1 8949 4.278 -3.578 -3.724 880TIP3 H2 8950 4.373 -3.694 -3.701 881TIP3 OH2 8951 4.250 -3.626 -2.628 881TIP3 H1 8952 4.193 -3.706 -2.617 881TIP3 H2 8953 4.337 -3.670 -2.625 882TIP3 OH2 8954 3.520 -3.698 -2.965 882TIP3 H1 8955 3.542 -3.667 -2.877 882TIP3 H2 8956 3.479 -3.784 -2.945 883TIP3 OH2 8957 3.889 -3.962 -4.318 883TIP3 H1 8958 3.861 -3.986 -4.228 883TIP3 H2 8959 3.816 -3.905 -4.346 884TIP3 OH2 8960 3.195 -3.959 -3.601 884TIP3 H1 8961 3.253 -3.955 -3.522 884TIP3 H2 8962 3.254 -3.993 -3.670 885TIP3 OH2 8963 3.352 -3.912 -4.039 885TIP3 H1 8964 3.412 -3.862 -4.099 885TIP3 H2 8965 3.288 -3.843 -4.015 886TIP3 OH2 8966 4.351 -3.573 -3.023 886TIP3 H1 8967 4.380 -3.639 -3.089 886TIP3 H2 8968 4.272 -3.615 -2.988 887TIP3 OH2 8969 4.048 -3.974 -3.560 887TIP3 H1 8970 3.956 -3.960 -3.533 887TIP3 H2 8971 4.095 -3.950 -3.478 888TIP3 OH2 8972 3.508 -3.829 -3.689 888TIP3 H1 8973 3.427 -3.799 -3.734 888TIP3 H2 8974 3.535 -3.908 -3.739 889TIP3 OH2 8975 3.867 -3.789 -3.924 889TIP3 H1 8976 3.964 -3.781 -3.918 889TIP3 H2 8977 3.844 -3.729 -3.997 890TIP3 OH2 8978 3.731 -3.677 -4.158 890TIP3 H1 8979 3.667 -3.722 -4.215 890TIP3 H2 8980 3.803 -3.655 -4.218 891TIP3 OH2 8981 3.582 -3.196 -2.647 891TIP3 H1 8982 3.650 -3.187 -2.577 891TIP3 H2 8983 3.502 -3.195 -2.591 892TIP3 OH2 8984 4.137 -3.741 -3.415 892TIP3 H1 8985 4.218 -3.764 -3.462 892TIP3 H2 8986 4.166 -3.744 -3.323 893TIP3 OH2 8987 3.668 -4.066 -3.756 893TIP3 H1 8988 3.622 -4.151 -3.744 893TIP3 H2 8989 3.753 -4.094 -3.792 894TIP3 OH2 8990 4.047 -3.861 -3.141 894TIP3 H1 8991 3.980 -3.793 -3.162 894TIP3 H2 8992 4.100 -3.815 -3.074 895TIP3 OH2 8993 4.072 -3.228 -3.954 895TIP3 H1 8994 3.992 -3.269 -3.991 895TIP3 H2 8995 4.049 -3.213 -3.860 896TIP3 OH2 8996 4.208 -3.224 -2.832 896TIP3 H1 8997 4.182 -3.233 -2.740 896TIP3 H2 8998 4.213 -3.128 -2.845 897TIP3 OH2 8999 3.575 -3.273 -3.378 897TIP3 H1 9000 3.632 -3.276 -3.457 897TIP3 H2 9001 3.593 -3.358 -3.336 898TIP3 OH2 9002 4.284 -3.081 -4.052 898TIP3 H1 9003 4.254 -2.990 -4.032 898TIP3 H2 9004 4.207 -3.133 -4.021 899TIP3 OH2 9005 3.304 -3.444 -2.852 899TIP3 H1 9006 3.320 -3.489 -2.766 899TIP3 H2 9007 3.244 -3.505 -2.898 900TIP3 OH2 9008 4.001 -3.494 -2.649 900TIP3 H1 9009 3.966 -3.523 -2.735 900TIP3 H2 9010 4.096 -3.517 -2.659 901TIP3 OH2 9011 3.820 -2.944 -3.650 901TIP3 H1 9012 3.848 -2.853 -3.670 901TIP3 H2 9013 3.723 -2.937 -3.664 902TIP3 OH2 9014 3.423 -3.450 -4.199 902TIP3 H1 9015 3.479 -3.384 -4.152 902TIP3 H2 9016 3.334 -3.429 -4.165 903TIP3 OH2 9017 3.995 -3.175 -3.694 903TIP3 H1 9018 3.970 -3.083 -3.676 903TIP3 H2 9019 3.924 -3.223 -3.648 904TIP3 OH2 9020 4.020 -2.744 -3.049 904TIP3 H1 9021 4.077 -2.673 -3.086 904TIP3 H2 9022 4.085 -2.795 -3.000 905TIP3 OH2 9023 3.831 -2.644 -3.740 905TIP3 H1 9024 3.740 -2.648 -3.711 905TIP3 H2 9025 3.862 -2.558 -3.707 906TIP3 OH2 9026 3.437 -3.962 -2.892 906TIP3 H1 9027 3.346 -3.942 -2.924 906TIP3 H2 9028 3.420 -4.048 -2.849 907TIP3 OH2 9029 3.407 -2.797 -3.046 907TIP3 H1 9030 3.437 -2.889 -3.045 907TIP3 H2 9031 3.442 -2.766 -2.962 908TIP3 OH2 9032 4.016 -2.941 -4.332 908TIP3 H1 9033 4.074 -3.017 -4.349 908TIP3 H2 9034 3.972 -2.968 -4.249 909TIP3 OH2 9035 3.886 -2.990 -4.078 909TIP3 H1 9036 3.925 -3.039 -4.004 909TIP3 H2 9037 3.896 -2.897 -4.048 910TIP3 OH2 9038 3.558 -3.245 -4.035 910TIP3 H1 9039 3.485 -3.204 -3.985 910TIP3 H2 9040 3.608 -3.166 -4.060 911TIP3 OH2 9041 4.329 -3.929 -2.977 911TIP3 H1 9042 4.392 -4.003 -2.988 911TIP3 H2 9043 4.270 -3.956 -3.049 912TIP3 OH2 9044 4.169 -2.822 -4.025 912TIP3 H1 9045 4.088 -2.773 -4.001 912TIP3 H2 9046 4.210 -2.761 -4.088 913TIP3 OH2 9047 4.132 -3.867 -3.815 913TIP3 H1 9048 4.196 -3.797 -3.788 913TIP3 H2 9049 4.097 -3.888 -3.726 914TIP3 OH2 9050 4.147 -3.763 -2.879 914TIP3 H1 9051 4.183 -3.701 -2.815 914TIP3 H2 9052 4.221 -3.826 -2.895 915TIP3 OH2 9053 4.198 -4.170 -3.689 915TIP3 H1 9054 4.171 -4.085 -3.650 915TIP3 H2 9055 4.271 -4.145 -3.749 916TIP3 OH2 9056 3.896 -2.710 -4.022 916TIP3 H1 9057 3.898 -2.623 -4.067 916TIP3 H2 9058 3.869 -2.684 -3.931 917TIP3 OH2 9059 3.767 -4.044 -4.073 917TIP3 H1 9060 3.762 -3.965 -4.016 917TIP3 H2 9061 3.853 -4.081 -4.045 918TIP3 OH2 9062 3.604 -2.950 -4.161 918TIP3 H1 9063 3.678 -2.916 -4.108 918TIP3 H2 9064 3.650 -3.003 -4.227 919TIP3 OH2 9065 3.431 -3.734 -4.255 919TIP3 H1 9066 3.445 -3.638 -4.239 919TIP3 H2 9067 3.340 -3.735 -4.288 920TIP3 OH2 9068 3.435 -4.244 -3.355 920TIP3 H1 9069 3.478 -4.246 -3.442 920TIP3 H2 9070 3.455 -4.334 -3.325 921TIP3 OH2 9071 3.342 -2.595 -2.625 921TIP3 H1 9072 3.403 -2.625 -2.554 921TIP3 H2 9073 3.305 -2.681 -2.655 922TIP3 OH2 9074 3.813 -2.691 -2.451 922TIP3 H1 9075 3.881 -2.756 -2.429 922TIP3 H2 9076 3.790 -2.719 -2.541 923TIP3 OH2 9077 4.232 -2.757 -4.318 923TIP3 H1 9078 4.152 -2.813 -4.325 923TIP3 H2 9079 4.297 -2.815 -4.358 924TIP3 OH2 9080 3.341 -3.236 -2.516 924TIP3 H1 9081 3.350 -3.326 -2.553 924TIP3 H2 9082 3.264 -3.204 -2.568 925TIP3 OH2 9083 3.764 -3.201 -4.317 925TIP3 H1 9084 3.792 -3.242 -4.234 925TIP3 H2 9085 3.848 -3.190 -4.366 926TIP3 OH2 9086 4.008 -3.214 -2.584 926TIP3 H1 9087 3.978 -3.181 -2.671 926TIP3 H2 9088 4.014 -3.311 -2.599 927TIP3 OH2 9089 4.272 -3.081 -4.352 927TIP3 H1 9090 4.322 -3.044 -4.276 927TIP3 H2 9091 4.333 -3.149 -4.383 928TIP3 OH2 9092 3.427 -3.525 -2.599 928TIP3 H1 9093 3.503 -3.585 -2.598 928TIP3 H2 9094 3.422 -3.499 -2.506 929TIP3 OH2 9095 3.865 -3.384 -4.095 929TIP3 H1 9096 3.806 -3.427 -4.031 929TIP3 H2 9097 3.901 -3.460 -4.143 930TIP3 OH2 9098 3.796 -3.604 -2.852 930TIP3 H1 9099 3.738 -3.527 -2.838 930TIP3 H2 9100 3.852 -3.573 -2.925 931TIP3 OH2 9101 3.999 -3.592 -4.269 931TIP3 H1 9102 3.981 -3.582 -4.363 931TIP3 H2 9103 4.090 -3.561 -4.259 932TIP3 OH2 9104 4.283 -3.359 -2.484 932TIP3 H1 9105 4.352 -3.389 -2.543 932TIP3 H2 9106 4.267 -3.441 -2.434 933TIP3 OH2 9107 3.852 -3.879 -2.742 933TIP3 H1 9108 3.864 -3.942 -2.815 933TIP3 H2 9109 3.839 -3.795 -2.791 934TIP3 OH2 9110 3.890 -4.041 -3.003 934TIP3 H1 9111 3.943 -3.981 -3.060 934TIP3 H2 9112 3.800 -4.026 -3.036 935TIP3 OH2 9113 4.068 -3.493 -2.967 935TIP3 H1 9114 4.136 -3.491 -3.036 935TIP3 H2 9115 4.028 -3.405 -2.978 936TIP3 OH2 9116 3.675 -3.698 -2.558 936TIP3 H1 9117 3.622 -3.780 -2.563 936TIP3 H2 9118 3.754 -3.723 -2.609 937TIP3 OH2 9119 3.948 -4.280 -2.886 937TIP3 H1 9120 3.943 -4.187 -2.920 937TIP3 H2 9121 3.864 -4.314 -2.920 938TIP3 OH2 9122 4.106 -3.856 -2.588 938TIP3 H1 9123 4.070 -3.887 -2.503 938TIP3 H2 9124 4.030 -3.875 -2.647 939TIP3 OH2 9125 3.552 -3.959 -2.575 939TIP3 H1 9126 3.526 -4.019 -2.647 939TIP3 H2 9127 3.506 -3.997 -2.499 940TIP3 OH2 9128 4.054 -4.147 -2.471 940TIP3 H1 9129 4.027 -4.228 -2.517 940TIP3 H2 9130 3.971 -4.095 -2.468 941TIP3 OH2 9131 3.960 -2.462 -4.172 941TIP3 H1 9132 4.055 -2.445 -4.163 941TIP3 H2 9133 3.933 -2.399 -4.241 942TIP3 OH2 9134 3.332 -3.053 -4.201 942TIP3 H1 9135 3.421 -3.013 -4.193 942TIP3 H2 9136 3.340 -3.106 -4.281 943TIP3 OH2 9137 3.236 -2.498 -3.720 943TIP3 H1 9138 3.165 -2.535 -3.776 943TIP3 H2 9139 3.242 -2.567 -3.651 944TIP3 OH2 9140 3.239 -2.676 -3.505 944TIP3 H1 9141 3.254 -2.770 -3.527 944TIP3 H2 9142 3.303 -2.665 -3.433 945TIP3 OH2 9143 3.280 -3.368 -3.280 945TIP3 H1 9144 3.304 -3.355 -3.373 945TIP3 H2 9145 3.368 -3.385 -3.241 946TIP3 OH2 9146 3.267 -3.836 -2.625 946TIP3 H1 9147 3.358 -3.858 -2.646 946TIP3 H2 9148 3.223 -3.922 -2.632 947TIP3 OH2 9149 3.342 -3.991 -3.361 947TIP3 H1 9150 3.373 -4.083 -3.350 947TIP3 H2 9151 3.416 -3.941 -3.323 948TIP3 OH2 9152 3.203 -3.728 -3.257 948TIP3 H1 9153 3.262 -3.731 -3.334 948TIP3 H2 9154 3.239 -3.653 -3.209 949TIP3 OH2 9155 3.257 -4.103 -3.854 949TIP3 H1 9156 3.162 -4.095 -3.871 949TIP3 H2 9157 3.295 -4.033 -3.912 950TIP3 OH2 9158 3.232 -4.127 -2.998 950TIP3 H1 9159 3.235 -4.221 -2.973 950TIP3 H2 9160 3.212 -4.133 -3.092 951TIP3 OH2 9161 3.456 -2.895 -2.566 951TIP3 H1 9162 3.384 -2.900 -2.631 951TIP3 H2 9163 3.409 -2.901 -2.482 952TIP3 OH2 9164 3.740 -2.795 -2.996 952TIP3 H1 9165 3.710 -2.712 -3.037 952TIP3 H2 9166 3.836 -2.789 -3.015 953TIP3 OH2 9167 4.220 -2.635 -2.710 953TIP3 H1 9168 4.205 -2.671 -2.621 953TIP3 H2 9169 4.314 -2.613 -2.704 954TIP3 OH2 9170 3.478 -2.501 -2.965 954TIP3 H1 9171 3.422 -2.438 -3.013 954TIP3 H2 9172 3.441 -2.498 -2.876 955TIP3 OH2 9173 3.732 -2.523 -3.106 955TIP3 H1 9174 3.645 -2.506 -3.066 955TIP3 H2 9175 3.735 -2.458 -3.178 956TIP3 OH2 9176 4.197 -2.548 -3.154 956TIP3 H1 9177 4.178 -2.500 -3.236 956TIP3 H2 9178 4.258 -2.489 -3.109 957TIP3 OH2 9179 3.430 -2.624 -3.270 957TIP3 H1 9180 3.436 -2.676 -3.187 957TIP3 H2 9181 3.507 -2.661 -3.318 958TIP3 OH2 9182 3.640 -2.718 -3.409 958TIP3 H1 9183 3.616 -2.804 -3.450 958TIP3 H2 9184 3.736 -2.726 -3.396 959TIP3 OH2 9185 3.921 -2.698 -3.340 959TIP3 H1 9186 3.935 -2.792 -3.362 959TIP3 H2 9187 3.920 -2.702 -3.243 960TIP3 OH2 9188 4.259 -4.143 -3.401 960TIP3 H1 9189 4.179 -4.198 -3.389 960TIP3 H2 9190 4.292 -4.176 -3.485 961TIP3 OH2 9191 3.479 -4.284 -3.678 961TIP3 H1 9192 3.386 -4.298 -3.701 961TIP3 H2 9193 3.505 -4.369 -3.643 962TIP3 OH2 9194 3.340 -4.282 -4.068 962TIP3 H1 9195 3.391 -4.230 -4.134 962TIP3 H2 9196 3.305 -4.212 -4.011 963TIP3 OH2 9197 3.934 -4.257 -3.675 963TIP3 H1 9198 4.026 -4.223 -3.668 963TIP3 H2 9199 3.918 -4.289 -3.586 964TIP3 OH2 9200 3.379 -2.690 -3.997 964TIP3 H1 9201 3.289 -2.695 -4.032 964TIP3 H2 9202 3.367 -2.635 -3.919 965TIP3 OH2 9203 3.528 -4.125 -4.224 965TIP3 H1 9204 3.592 -4.163 -4.286 965TIP3 H2 9205 3.586 -4.062 -4.177 966TIP3 OH2 9206 4.051 -4.065 -3.985 966TIP3 H1 9207 4.065 -4.147 -3.934 966TIP3 H2 9208 4.065 -3.995 -3.918 967TIP3 OH2 9209 4.270 -2.544 -4.143 967TIP3 H1 9210 4.355 -2.504 -4.167 967TIP3 H2 9211 4.252 -2.600 -4.222 968TIP3 OH2 9212 3.440 -4.178 -2.729 968TIP3 H1 9213 3.396 -4.260 -2.701 968TIP3 H2 9214 3.529 -4.213 -2.745 969TIP3 OH2 9215 3.732 -4.279 -2.467 969TIP3 H1 9216 3.820 -4.303 -2.504 969TIP3 H2 9217 3.709 -4.359 -2.419 970TIP3 OH2 9218 3.573 -2.584 -4.228 970TIP3 H1 9219 3.520 -2.571 -4.148 970TIP3 H2 9220 3.627 -2.659 -4.204 971TIP3 OH2 9221 -3.162 -1.483 -3.631 971TIP3 H1 9222 -3.161 -1.387 -3.616 971TIP3 H2 9223 -3.240 -1.493 -3.687 972TIP3 OH2 9224 -3.265 -1.536 -3.318 972TIP3 H1 9225 -3.272 -1.594 -3.240 972TIP3 H2 9226 -3.298 -1.594 -3.388 973TIP3 OH2 9227 -4.024 -1.578 -3.158 973TIP3 H1 9228 -4.033 -1.651 -3.094 973TIP3 H2 9229 -3.964 -1.519 -3.112 974TIP3 OH2 9230 -2.905 -1.254 -3.480 974TIP3 H1 9231 -2.938 -1.326 -3.425 974TIP3 H2 9232 -2.879 -1.190 -3.412 975TIP3 OH2 9233 -3.956 -1.114 -3.304 975TIP3 H1 9234 -3.984 -1.206 -3.322 975TIP3 H2 9235 -3.868 -1.128 -3.265 976TIP3 OH2 9236 -4.202 -1.814 -3.845 976TIP3 H1 9237 -4.209 -1.729 -3.799 976TIP3 H2 9238 -4.290 -1.850 -3.826 977TIP3 OH2 9239 -4.198 -1.554 -3.615 977TIP3 H1 9240 -4.190 -1.600 -3.530 977TIP3 H2 9241 -4.122 -1.494 -3.613 978TIP3 OH2 9242 -3.202 -0.727 -3.435 978TIP3 H1 9243 -3.142 -0.800 -3.462 978TIP3 H2 9244 -3.231 -0.755 -3.347 979TIP3 OH2 9245 -3.421 -1.286 -3.264 979TIP3 H1 9246 -3.386 -1.357 -3.321 979TIP3 H2 9247 -3.342 -1.267 -3.211 980TIP3 OH2 9248 -2.563 -2.131 -3.201 980TIP3 H1 9249 -2.535 -2.073 -3.127 980TIP3 H2 9250 -2.498 -2.105 -3.269 981TIP3 OH2 9251 -3.100 -1.852 -3.214 981TIP3 H1 9252 -3.082 -1.948 -3.206 981TIP3 H2 9253 -3.104 -1.841 -3.310 982TIP3 OH2 9254 -3.793 -2.051 -3.507 982TIP3 H1 9255 -3.787 -1.963 -3.550 982TIP3 H2 9256 -3.838 -2.102 -3.577 983TIP3 OH2 9257 -3.014 -2.043 -3.678 983TIP3 H1 9258 -2.956 -2.077 -3.606 983TIP3 H2 9259 -2.950 -1.994 -3.730 984TIP3 OH2 9260 -4.137 -1.779 -3.451 984TIP3 H1 9261 -4.080 -1.820 -3.384 984TIP3 H2 9262 -4.121 -1.836 -3.527 985TIP3 OH2 9263 -3.587 -1.640 -3.513 985TIP3 H1 9264 -3.521 -1.697 -3.469 985TIP3 H2 9265 -3.644 -1.706 -3.556 986TIP3 OH2 9266 -2.486 -1.996 -2.952 986TIP3 H1 9267 -2.548 -1.926 -2.977 986TIP3 H2 9268 -2.507 -2.005 -2.858 987TIP3 OH2 9269 -3.918 -2.169 -3.088 987TIP3 H1 9270 -3.964 -2.122 -3.160 987TIP3 H2 9271 -3.981 -2.154 -3.014 988TIP3 OH2 9272 -3.169 -1.197 -3.750 988TIP3 H1 9273 -3.204 -1.217 -3.838 988TIP3 H2 9274 -3.213 -1.112 -3.730 989TIP3 OH2 9275 -3.629 -1.385 -3.081 989TIP3 H1 9276 -3.702 -1.327 -3.049 989TIP3 H2 9277 -3.569 -1.320 -3.120 990TIP3 OH2 9278 -2.837 -2.108 -3.469 990TIP3 H1 9279 -2.868 -2.170 -3.402 990TIP3 H2 9280 -2.778 -2.051 -3.417 991TIP3 OH2 9281 -3.957 -1.967 -3.296 991TIP3 H1 9282 -3.895 -1.908 -3.249 991TIP3 H2 9283 -3.897 -2.003 -3.365 992TIP3 OH2 9284 -3.833 -1.193 -3.012 992TIP3 H1 9285 -3.820 -1.096 -3.016 992TIP3 H2 9286 -3.886 -1.196 -2.931 993TIP3 OH2 9287 -4.188 -1.238 -3.915 993TIP3 H1 9288 -4.253 -1.213 -3.984 993TIP3 H2 9289 -4.205 -1.172 -3.846 994TIP3 OH2 9290 -2.849 -1.087 -3.206 994TIP3 H1 9291 -2.943 -1.068 -3.222 994TIP3 H2 9292 -2.808 -1.004 -3.236 995TIP3 OH2 9293 -2.820 -2.196 -3.087 995TIP3 H1 9294 -2.896 -2.154 -3.131 995TIP3 H2 9295 -2.746 -2.176 -3.147 996TIP3 OH2 9296 -3.565 -2.462 -3.440 996TIP3 H1 9297 -3.476 -2.427 -3.434 996TIP3 H2 9298 -3.615 -2.404 -3.383 997TIP3 OH2 9299 -3.020 -0.889 -3.581 997TIP3 H1 9300 -2.970 -0.966 -3.614 997TIP3 H2 9301 -2.953 -0.818 -3.592 998TIP3 OH2 9302 -2.874 -1.103 -3.721 998TIP3 H1 9303 -2.930 -1.149 -3.785 998TIP3 H2 9304 -2.879 -1.162 -3.644 999TIP3 OH2 9305 -3.291 -1.535 -3.904 999TIP3 H1 9306 -3.358 -1.470 -3.934 999TIP3 H2 9307 -3.220 -1.521 -3.968 1000TIP3 OH2 9308 -3.273 -1.708 -4.206 1000TIP3 H1 9309 -3.206 -1.673 -4.144 1000TIP3 H2 9310 -3.217 -1.769 -4.260 1001TIP3 OH2 9311 -2.559 -1.595 -3.079 1001TIP3 H1 9312 -2.623 -1.524 -3.066 1001TIP3 H2 9313 -2.508 -1.563 -3.156 1002TIP3 OH2 9314 -2.945 -1.532 -3.795 1002TIP3 H1 9315 -3.013 -1.509 -3.727 1002TIP3 H2 9316 -2.883 -1.585 -3.741 1003TIP3 OH2 9317 -2.957 -1.679 -2.908 1003TIP3 H1 9318 -2.968 -1.615 -2.836 1003TIP3 H2 9319 -3.024 -1.647 -2.971 1004TIP3 OH2 9320 -3.779 -1.449 -3.618 1004TIP3 H1 9321 -3.815 -1.493 -3.698 1004TIP3 H2 9322 -3.718 -1.517 -3.584 1005TIP3 OH2 9323 -3.643 -1.109 -3.345 1005TIP3 H1 9324 -3.657 -1.153 -3.430 1005TIP3 H2 9325 -3.566 -1.157 -3.310 1006TIP3 OH2 9326 -3.727 -1.573 -3.273 1006TIP3 H1 9327 -3.666 -1.564 -3.349 1006TIP3 H2 9328 -3.694 -1.505 -3.211 1007TIP3 OH2 9329 -3.119 -1.024 -3.210 1007TIP3 H1 9330 -3.138 -0.949 -3.151 1007TIP3 H2 9331 -3.155 -1.101 -3.162 1008TIP3 OH2 9332 -3.035 -1.584 -4.058 1008TIP3 H1 9333 -2.994 -1.557 -3.973 1008TIP3 H2 9334 -2.975 -1.541 -4.121 1009TIP3 OH2 9335 -3.956 -1.506 -2.870 1009TIP3 H1 9336 -3.947 -1.448 -2.791 1009TIP3 H2 9337 -4.054 -1.508 -2.877 1010TIP3 OH2 9338 -3.302 -0.924 -3.696 1010TIP3 H1 9339 -3.255 -0.896 -3.616 1010TIP3 H2 9340 -3.351 -0.844 -3.720 1011TIP3 OH2 9341 -2.696 -2.412 -4.077 1011TIP3 H1 9342 -2.784 -2.392 -4.040 1011TIP3 H2 9343 -2.666 -2.326 -4.107 1012TIP3 OH2 9344 -3.887 -1.580 -3.870 1012TIP3 H1 9345 -3.916 -1.499 -3.917 1012TIP3 H2 9346 -3.961 -1.640 -3.887 1013TIP3 OH2 9347 -2.590 -0.985 -4.251 1013TIP3 H1 9348 -2.559 -0.905 -4.206 1013TIP3 H2 9349 -2.515 -1.046 -4.241 1014TIP3 OH2 9350 -4.275 -1.298 -3.021 1014TIP3 H1 9351 -4.293 -1.340 -3.107 1014TIP3 H2 9352 -4.313 -1.361 -2.959 1015TIP3 OH2 9353 -4.275 -1.008 -3.316 1015TIP3 H1 9354 -4.198 -1.060 -3.291 1015TIP3 H2 9355 -4.307 -0.973 -3.232 1016TIP3 OH2 9356 -2.444 -0.957 -2.721 1016TIP3 H1 9357 -2.455 -1.053 -2.732 1016TIP3 H2 9358 -2.532 -0.930 -2.686 1017TIP3 OH2 9359 -3.385 -1.043 -2.837 1017TIP3 H1 9360 -3.362 -0.961 -2.790 1017TIP3 H2 9361 -3.476 -1.058 -2.806 1018TIP3 OH2 9362 -3.346 -0.654 -3.848 1018TIP3 H1 9363 -3.347 -0.641 -3.944 1018TIP3 H2 9364 -3.343 -0.563 -3.813 1019TIP3 OH2 9365 -3.978 -0.739 -3.677 1019TIP3 H1 9366 -3.954 -0.782 -3.592 1019TIP3 H2 9367 -4.054 -0.795 -3.700 1020TIP3 OH2 9368 -3.024 -0.693 -4.139 1020TIP3 H1 9369 -2.978 -0.751 -4.203 1020TIP3 H2 9370 -3.020 -0.746 -4.058 1021TIP3 OH2 9371 -3.075 -0.765 -3.863 1021TIP3 H1 9372 -3.168 -0.748 -3.841 1021TIP3 H2 9373 -3.053 -0.832 -3.796 1022TIP3 OH2 9374 -2.762 -1.816 -2.681 1022TIP3 H1 9375 -2.816 -1.783 -2.754 1022TIP3 H2 9376 -2.761 -1.912 -2.697 1023TIP3 OH2 9377 -4.115 -1.145 -2.834 1023TIP3 H1 9378 -4.040 -1.186 -2.788 1023TIP3 H2 9379 -4.150 -1.214 -2.894 1024TIP3 OH2 9380 -3.746 -2.300 -3.287 1024TIP3 H1 9381 -3.828 -2.317 -3.338 1024TIP3 H2 9382 -3.778 -2.234 -3.224 1025TIP3 OH2 9383 -3.335 -2.382 -2.885 1025TIP3 H1 9384 -3.269 -2.428 -2.871 1025TIP3 H2 9385 -3.319 -2.296 -2.817 1026TIP3 OH2 9386 -3.000 -1.973 -2.876 1026TIP3 H1 9387 -3.053 -1.990 -2.796 1026TIP3 H2 9388 -3.002 -1.876 -2.884 1027TIP3 OH2 9389 -2.814 -1.504 -4.252 1027TIP3 H1 9390 -2.861 -1.517 -4.336 1027TIP3 H2 9391 -2.783 -1.414 -4.265 1028TIP3 OH2 9392 -3.334 -2.123 -4.191 1028TIP3 H1 9393 -3.392 -2.103 -4.117 1028TIP3 H2 9394 -3.388 -2.182 -4.245 1029TIP3 OH2 9395 -3.760 -1.830 -3.147 1029TIP3 H1 9396 -3.821 -1.819 -3.072 1029TIP3 H2 9397 -3.757 -1.739 -3.183 1030TIP3 OH2 9398 -3.769 -1.821 -3.661 1030TIP3 H1 9399 -3.865 -1.829 -3.673 1030TIP3 H2 9400 -3.738 -1.837 -3.751 1031TIP3 OH2 9401 -3.221 -1.782 -3.797 1031TIP3 H1 9402 -3.253 -1.692 -3.821 1031TIP3 H2 9403 -3.144 -1.790 -3.856 1032TIP3 OH2 9404 -3.279 -1.751 -2.649 1032TIP3 H1 9405 -3.336 -1.820 -2.609 1032TIP3 H2 9406 -3.195 -1.765 -2.601 1033TIP3 OH2 9407 -3.122 -1.827 -3.507 1033TIP3 H1 9408 -3.153 -1.768 -3.579 1033TIP3 H2 9409 -3.102 -1.907 -3.559 1034TIP3 OH2 9410 -4.019 -1.816 -2.966 1034TIP3 H1 9411 -4.002 -1.773 -2.882 1034TIP3 H2 9412 -4.051 -1.903 -2.938 1035TIP3 OH2 9413 -3.652 -2.076 -4.308 1035TIP3 H1 9414 -3.699 -2.101 -4.228 1035TIP3 H2 9415 -3.720 -2.021 -4.352 1036TIP3 OH2 9416 -4.321 -2.046 -3.596 1036TIP3 H1 9417 -4.305 -2.076 -3.505 1036TIP3 H2 9418 -4.287 -2.120 -3.647 1037TIP3 OH2 9419 -4.207 -2.028 -4.043 1037TIP3 H1 9420 -4.148 -1.985 -4.107 1037TIP3 H2 9421 -4.275 -1.961 -4.032 1038TIP3 OH2 9422 -3.206 -1.657 -3.053 1038TIP3 H1 9423 -3.165 -1.730 -3.106 1038TIP3 H2 9424 -3.248 -1.708 -2.981 1039TIP3 OH2 9425 -3.504 -2.072 -3.572 1039TIP3 H1 9426 -3.595 -2.067 -3.535 1039TIP3 H2 9427 -3.451 -2.084 -3.492 1040TIP3 OH2 9428 -4.029 -1.945 -3.682 1040TIP3 H1 9429 -4.103 -1.915 -3.740 1040TIP3 H2 9430 -4.003 -2.028 -3.725 1041TIP3 OH2 9431 -3.669 -1.909 -3.930 1041TIP3 H1 9432 -3.575 -1.887 -3.924 1041TIP3 H2 9433 -3.702 -1.844 -3.996 1042TIP3 OH2 9434 -3.057 -2.150 -3.260 1042TIP3 H1 9435 -3.115 -2.151 -3.181 1042TIP3 H2 9436 -3.119 -2.179 -3.329 1043TIP3 OH2 9437 -3.809 -1.794 -4.156 1043TIP3 H1 9438 -3.876 -1.835 -4.213 1043TIP3 H2 9439 -3.741 -1.767 -4.219 1044TIP3 OH2 9440 -2.742 -0.582 -2.592 1044TIP3 H1 9441 -2.731 -0.524 -2.669 1044TIP3 H2 9442 -2.692 -0.533 -2.525 1045TIP3 OH2 9443 -3.966 -1.342 -2.639 1045TIP3 H1 9444 -3.895 -1.293 -2.593 1045TIP3 H2 9445 -4.042 -1.303 -2.593 1046TIP3 OH2 9446 -3.390 -1.811 -3.377 1046TIP3 H1 9447 -3.312 -1.851 -3.418 1046TIP3 H2 9448 -3.406 -1.869 -3.300 1047TIP3 OH2 9449 -3.868 -2.176 -3.751 1047TIP3 H1 9450 -3.926 -2.254 -3.750 1047TIP3 H2 9451 -3.810 -2.194 -3.826 1048TIP3 OH2 9452 -3.488 -1.961 -3.151 1048TIP3 H1 9453 -3.569 -1.906 -3.148 1048TIP3 H2 9454 -3.443 -1.936 -3.068 1049TIP3 OH2 9455 -3.472 -1.329 -3.959 1049TIP3 H1 9456 -3.552 -1.373 -3.995 1049TIP3 H2 9457 -3.496 -1.318 -3.864 1050TIP3 OH2 9458 -2.763 -1.383 -3.058 1050TIP3 H1 9459 -2.712 -1.329 -3.121 1050TIP3 H2 9460 -2.843 -1.402 -3.111 1051TIP3 OH2 9461 -3.070 -2.057 -4.172 1051TIP3 H1 9462 -3.166 -2.047 -4.183 1051TIP3 H2 9463 -3.043 -1.977 -4.123 1052TIP3 OH2 9464 -3.300 -1.326 -2.829 1052TIP3 H1 9465 -3.342 -1.359 -2.747 1052TIP3 H2 9466 -3.333 -1.234 -2.830 1053TIP3 OH2 9467 -3.002 -1.863 -3.988 1053TIP3 H1 9468 -2.915 -1.880 -3.945 1053TIP3 H2 9469 -2.988 -1.774 -4.027 1054TIP3 OH2 9470 -3.982 -1.398 -3.394 1054TIP3 H1 9471 -3.909 -1.399 -3.457 1054TIP3 H2 9472 -3.963 -1.475 -3.338 1055TIP3 OH2 9473 -3.234 -1.190 -4.069 1055TIP3 H1 9474 -3.262 -1.102 -4.038 1055TIP3 H2 9475 -3.311 -1.243 -4.042 1056TIP3 OH2 9476 -4.234 -1.543 -2.824 1056TIP3 H1 9477 -4.233 -1.605 -2.749 1056TIP3 H2 9478 -4.286 -1.592 -2.891 1057TIP3 OH2 9479 -3.543 -1.607 -2.649 1057TIP3 H1 9480 -3.578 -1.632 -2.737 1057TIP3 H2 9481 -3.448 -1.628 -2.660 1058TIP3 OH2 9482 -2.530 -1.850 -3.998 1058TIP3 H1 9483 -2.592 -1.870 -4.070 1058TIP3 H2 9484 -2.517 -1.756 -4.016 1059TIP3 OH2 9485 -2.514 -1.255 -2.746 1059TIP3 H1 9486 -2.604 -1.235 -2.776 1059TIP3 H2 9487 -2.468 -1.271 -2.831 1060TIP3 OH2 9488 -2.708 -0.997 -3.992 1060TIP3 H1 9489 -2.736 -1.072 -3.939 1060TIP3 H2 9490 -2.673 -1.038 -4.072 1061TIP3 OH2 9491 -2.984 -1.468 -3.242 1061TIP3 H1 9492 -3.076 -1.484 -3.273 1061TIP3 H2 9493 -2.936 -1.536 -3.294 1062TIP3 OH2 9494 -3.725 -1.058 -3.658 1062TIP3 H1 9495 -3.687 -0.969 -3.663 1062TIP3 H2 9496 -3.819 -1.039 -3.671 1063TIP3 OH2 9497 -4.158 -1.563 -4.191 1063TIP3 H1 9498 -4.083 -1.504 -4.167 1063TIP3 H2 9499 -4.232 -1.506 -4.170 1064TIP3 OH2 9500 -3.543 -1.287 -3.692 1064TIP3 H1 9501 -3.573 -1.196 -3.676 1064TIP3 H2 9502 -3.615 -1.337 -3.650 1065TIP3 OH2 9503 -3.522 -0.863 -3.057 1065TIP3 H1 9504 -3.468 -0.786 -3.080 1065TIP3 H2 9505 -3.467 -0.908 -2.991 1066TIP3 OH2 9506 -3.681 -0.766 -3.737 1066TIP3 H1 9507 -3.777 -0.754 -3.723 1066TIP3 H2 9508 -3.647 -0.679 -3.707 1067TIP3 OH2 9509 -3.156 -1.280 -3.070 1067TIP3 H1 9510 -3.207 -1.317 -2.995 1067TIP3 H2 9511 -3.106 -1.357 -3.103 1068TIP3 OH2 9512 -2.970 -1.162 -4.195 1068TIP3 H1 9513 -2.921 -1.204 -4.121 1068TIP3 H2 9514 -3.060 -1.167 -4.159 1069TIP3 OH2 9515 -2.908 -0.862 -2.880 1069TIP3 H1 9516 -2.986 -0.849 -2.939 1069TIP3 H2 9517 -2.859 -0.780 -2.904 1070TIP3 OH2 9518 -2.480 -0.712 -4.160 1070TIP3 H1 9519 -2.411 -0.644 -4.144 1070TIP3 H2 9520 -2.560 -0.661 -4.135 1071TIP3 OH2 9521 -4.100 -2.086 -2.888 1071TIP3 H1 9522 -4.186 -2.046 -2.910 1071TIP3 H2 9523 -4.123 -2.170 -2.845 1072TIP3 OH2 9524 -2.871 -1.299 -3.970 1072TIP3 H1 9525 -2.898 -1.368 -3.906 1072TIP3 H2 9526 -2.774 -1.300 -3.960 1073TIP3 OH2 9527 -4.122 -0.904 -3.032 1073TIP3 H1 9528 -4.111 -0.999 -3.045 1073TIP3 H2 9529 -4.080 -0.899 -2.945 1074TIP3 OH2 9530 -3.520 -1.054 -4.326 1074TIP3 H1 9531 -3.484 -1.140 -4.354 1074TIP3 H2 9532 -3.575 -1.081 -4.250 1075TIP3 OH2 9533 -3.663 -1.099 -4.077 1075TIP3 H1 9534 -3.616 -1.150 -4.010 1075TIP3 H2 9535 -3.646 -1.007 -4.049 1076TIP3 OH2 9536 -3.983 -1.363 -4.035 1076TIP3 H1 9537 -4.060 -1.323 -3.988 1076TIP3 H2 9538 -3.941 -1.282 -4.067 1077TIP3 OH2 9539 -3.205 -2.118 -3.037 1077TIP3 H1 9540 -3.149 -2.077 -2.970 1077TIP3 H2 9541 -3.263 -2.176 -2.986 1078TIP3 OH2 9542 -3.163 -2.175 -3.915 1078TIP3 H1 9543 -3.136 -2.126 -3.994 1078TIP3 H2 9544 -3.116 -2.127 -3.845 1079TIP3 OH2 9545 -3.368 -0.941 -4.029 1079TIP3 H1 9546 -3.446 -0.890 -4.001 1079TIP3 H2 9547 -3.317 -0.873 -4.073 1080TIP3 OH2 9548 -3.398 -2.015 -3.822 1080TIP3 H1 9549 -3.338 -1.937 -3.823 1080TIP3 H2 9550 -3.443 -2.002 -3.735 1081TIP3 OH2 9551 -3.361 -1.874 -2.901 1081TIP3 H1 9552 -3.365 -1.822 -2.819 1081TIP3 H2 9553 -3.313 -1.952 -2.869 1082TIP3 OH2 9554 -3.648 -0.822 -4.025 1082TIP3 H1 9555 -3.645 -0.736 -4.071 1082TIP3 H2 9556 -3.663 -0.794 -3.932 1083TIP3 OH2 9557 -3.761 -2.162 -4.054 1083TIP3 H1 9558 -3.757 -2.075 -4.011 1083TIP3 H2 9559 -3.670 -2.194 -4.049 1084TIP3 OH2 9560 -2.740 -2.070 -2.814 1084TIP3 H1 9561 -2.837 -2.061 -2.826 1084TIP3 H2 9562 -2.716 -2.096 -2.904 1085TIP3 OH2 9563 -2.889 -1.688 -3.409 1085TIP3 H1 9564 -2.972 -1.732 -3.435 1085TIP3 H2 9565 -2.841 -1.759 -3.361 1086TIP3 OH2 9566 -3.934 -1.060 -4.162 1086TIP3 H1 9567 -3.853 -1.038 -4.113 1086TIP3 H2 9568 -3.898 -1.120 -4.229 1087TIP3 OH2 9569 -4.099 -1.848 -4.260 1087TIP3 H1 9570 -4.105 -1.753 -4.239 1087TIP3 H2 9571 -4.189 -1.867 -4.291 1088TIP3 OH2 9572 -2.779 -0.805 -3.261 1088TIP3 H1 9573 -2.807 -0.729 -3.316 1088TIP3 H2 9574 -2.686 -0.781 -3.247 1089TIP3 OH2 9575 -4.023 -2.364 -3.374 1089TIP3 H1 9576 -4.060 -2.362 -3.465 1089TIP3 H2 9577 -4.069 -2.441 -3.335 1090TIP3 OH2 9578 -4.132 -0.984 -3.741 1090TIP3 H1 9579 -4.228 -0.966 -3.736 1090TIP3 H2 9580 -4.109 -0.957 -3.831 1091TIP3 OH2 9581 -4.213 -0.711 -2.635 1091TIP3 H1 9582 -4.146 -0.704 -2.563 1091TIP3 H2 9583 -4.215 -0.808 -2.642 1092TIP3 OH2 9584 -3.704 -0.792 -2.461 1092TIP3 H1 9585 -3.655 -0.866 -2.424 1092TIP3 H2 9586 -3.744 -0.836 -2.538 1093TIP3 OH2 9587 -3.305 -0.870 -4.333 1093TIP3 H1 9588 -3.386 -0.925 -4.326 1093TIP3 H2 9589 -3.240 -0.939 -4.352 1094TIP3 OH2 9590 -3.044 -1.018 -2.631 1094TIP3 H1 9591 -3.117 -1.067 -2.588 1094TIP3 H2 9592 -3.013 -0.965 -2.555 1095TIP3 OH2 9593 -2.918 -0.900 -4.289 1095TIP3 H1 9594 -2.893 -0.981 -4.242 1095TIP3 H2 9595 -2.833 -0.861 -4.315 1096TIP3 OH2 9596 -4.216 -1.322 -2.548 1096TIP3 H1 9597 -4.182 -1.394 -2.604 1096TIP3 H2 9598 -4.276 -1.275 -2.607 1097TIP3 OH2 9599 -3.775 -1.296 -4.307 1097TIP3 H1 9600 -3.754 -1.359 -4.236 1097TIP3 H2 9601 -3.703 -1.306 -4.370 1098TIP3 OH2 9602 -3.526 -1.317 -2.614 1098TIP3 H1 9603 -3.598 -1.292 -2.673 1098TIP3 H2 9604 -3.534 -1.414 -2.607 1099TIP3 OH2 9605 -3.245 -1.190 -4.348 1099TIP3 H1 9606 -3.231 -1.177 -4.252 1099TIP3 H2 9607 -3.180 -1.258 -4.370 1100TIP3 OH2 9608 -4.139 -1.661 -2.583 1100TIP3 H1 9609 -4.052 -1.704 -2.595 1100TIP3 H2 9610 -4.122 -1.607 -2.505 1101TIP3 OH2 9611 -3.674 -1.498 -4.091 1101TIP3 H1 9612 -3.737 -1.540 -4.030 1101TIP3 H2 9613 -3.641 -1.573 -4.143 1102TIP3 OH2 9614 -3.747 -1.723 -2.853 1102TIP3 H1 9615 -3.806 -1.647 -2.835 1102TIP3 H2 9616 -3.686 -1.685 -2.918 1103TIP3 OH2 9617 -3.553 -1.695 -4.270 1103TIP3 H1 9618 -3.556 -1.708 -4.365 1103TIP3 H2 9619 -3.457 -1.691 -4.253 1104TIP3 OH2 9620 -3.228 -1.456 -2.502 1104TIP3 H1 9621 -3.137 -1.473 -2.531 1104TIP3 H2 9622 -3.247 -1.536 -2.450 1105TIP3 OH2 9623 -3.690 -1.994 -2.741 1105TIP3 H1 9624 -3.684 -2.059 -2.812 1105TIP3 H2 9625 -3.712 -1.913 -2.789 1106TIP3 OH2 9626 -3.656 -2.146 -2.997 1106TIP3 H1 9627 -3.608 -2.093 -3.063 1106TIP3 H2 9628 -3.748 -2.144 -3.031 1107TIP3 OH2 9629 -3.501 -1.601 -2.957 1107TIP3 H1 9630 -3.418 -1.607 -3.006 1107TIP3 H2 9631 -3.536 -1.515 -2.988 1108TIP3 OH2 9632 -3.042 -1.826 -2.485 1108TIP3 H1 9633 -3.028 -1.918 -2.459 1108TIP3 H2 9634 -2.958 -1.786 -2.456 1109TIP3 OH2 9635 -2.957 -1.512 -2.657 1109TIP3 H1 9636 -2.974 -1.435 -2.712 1109TIP3 H2 9637 -2.862 -1.529 -2.675 1110TIP3 OH2 9638 -3.881 -1.805 -2.565 1110TIP3 H1 9639 -3.930 -1.889 -2.566 1110TIP3 H2 9640 -3.797 -1.829 -2.606 1111TIP3 OH2 9641 -3.604 -2.420 -2.962 1111TIP3 H1 9642 -3.608 -2.325 -2.976 1111TIP3 H2 9643 -3.671 -2.457 -3.024 1112TIP3 OH2 9644 -3.456 -1.956 -2.584 1112TIP3 H1 9645 -3.486 -1.978 -2.494 1112TIP3 H2 9646 -3.538 -1.976 -2.634 1113TIP3 OH2 9647 -3.202 -2.064 -2.693 1113TIP3 H1 9648 -3.289 -2.049 -2.652 1113TIP3 H2 9649 -3.154 -2.105 -2.618 1114TIP3 OH2 9650 -3.030 -2.165 -2.463 1114TIP3 H1 9651 -3.041 -2.262 -2.469 1114TIP3 H2 9652 -3.066 -2.146 -2.375 1115TIP3 OH2 9653 -4.017 -2.059 -2.579 1115TIP3 H1 9654 -4.016 -2.132 -2.643 1115TIP3 H2 9655 -4.032 -2.105 -2.495 1116TIP3 OH2 9656 -3.601 -2.463 -2.677 1116TIP3 H1 9657 -3.541 -2.539 -2.673 1116TIP3 H2 9658 -3.600 -2.446 -2.774 1117TIP3 OH2 9659 -3.500 -2.276 -2.491 1117TIP3 H1 9660 -3.533 -2.335 -2.561 1117TIP3 H2 9661 -3.570 -2.208 -2.486 1118TIP3 OH2 9662 -3.594 -0.573 -4.172 1118TIP3 H1 9663 -3.499 -0.560 -4.160 1118TIP3 H2 9664 -3.616 -0.512 -4.245 1119TIP3 OH2 9665 -4.187 -1.161 -4.193 1119TIP3 H1 9666 -4.105 -1.109 -4.179 1119TIP3 H2 9667 -4.189 -1.173 -4.288 1120TIP3 OH2 9668 -4.272 -0.801 -3.522 1120TIP3 H1 9669 -4.275 -0.893 -3.488 1120TIP3 H2 9670 -4.245 -0.755 -3.441 1121TIP3 OH2 9671 -2.513 -0.693 -3.223 1121TIP3 H1 9672 -2.506 -0.688 -3.126 1121TIP3 H2 9673 -2.429 -0.654 -3.250 1122TIP3 OH2 9674 -2.549 -0.764 -2.942 1122TIP3 H1 9675 -2.595 -0.843 -2.973 1122TIP3 H2 9676 -2.487 -0.801 -2.878 1123TIP3 OH2 9677 -2.743 -1.186 -2.521 1123TIP3 H1 9678 -2.820 -1.191 -2.461 1123TIP3 H2 9679 -2.686 -1.121 -2.475 1124TIP3 OH2 9680 -2.586 -1.316 -3.930 1124TIP3 H1 9681 -2.497 -1.280 -3.917 1124TIP3 H2 9682 -2.590 -1.379 -3.856 1125TIP3 OH2 9683 -2.541 -1.515 -3.732 1125TIP3 H1 9684 -2.607 -1.571 -3.687 1125TIP3 H2 9685 -2.472 -1.502 -3.664 1126TIP3 OH2 9686 -2.566 -1.265 -3.235 1126TIP3 H1 9687 -2.505 -1.314 -3.291 1126TIP3 H2 9688 -2.553 -1.174 -3.267 1127TIP3 OH2 9689 -2.514 -1.549 -4.107 1127TIP3 H1 9690 -2.574 -1.517 -4.176 1127TIP3 H2 9691 -2.530 -1.482 -4.038 1128TIP3 OH2 9692 -2.694 -1.810 -4.216 1128TIP3 H1 9693 -2.660 -1.731 -4.261 1128TIP3 H2 9694 -2.642 -1.880 -4.257 1129TIP3 OH2 9695 -2.750 -1.700 -3.651 1129TIP3 H1 9696 -2.754 -1.796 -3.664 1129TIP3 H2 9697 -2.785 -1.691 -3.560 1130TIP3 OH2 9698 -4.257 -1.451 -3.256 1130TIP3 H1 9699 -4.220 -1.426 -3.342 1130TIP3 H2 9700 -4.178 -1.493 -3.214 1131TIP3 OH2 9701 -2.689 -1.499 -2.734 1131TIP3 H1 9702 -2.628 -1.575 -2.721 1131TIP3 H2 9703 -2.626 -1.429 -2.751 1132TIP3 OH2 9704 -2.529 -1.693 -2.627 1132TIP3 H1 9705 -2.607 -1.751 -2.644 1132TIP3 H2 9706 -2.458 -1.759 -2.620 1133TIP3 OH2 9707 -2.766 -2.145 -4.336 1133TIP3 H1 9708 -2.699 -2.149 -4.265 1133TIP3 H2 9709 -2.850 -2.161 -4.292 1134TIP3 OH2 9710 -2.768 -1.947 -3.838 1134TIP3 H1 9711 -2.739 -2.040 -3.828 1134TIP3 H2 9712 -2.686 -1.907 -3.872 1135TIP3 OH2 9713 -2.737 -1.887 -3.289 1135TIP3 H1 9714 -2.640 -1.878 -3.291 1135TIP3 H2 9715 -2.751 -1.886 -3.193 1136TIP3 OH2 9716 -2.720 -1.820 -3.010 1136TIP3 H1 9717 -2.805 -1.782 -2.980 1136TIP3 H2 9718 -2.668 -1.740 -3.030 1137TIP3 OH2 9719 -4.285 -1.959 -2.650 1137TIP3 H1 9720 -4.195 -1.995 -2.642 1137TIP3 H2 9721 -4.342 -2.033 -2.624 1138TIP3 OH2 9722 -2.464 -2.403 -2.479 1138TIP3 H1 9723 -2.424 -2.473 -2.533 1138TIP3 H2 9724 -2.459 -2.326 -2.538 1139TIP3 OH2 9725 -2.715 -2.219 -3.829 1139TIP3 H1 9726 -2.692 -2.260 -3.743 1139TIP3 H2 9727 -2.787 -2.277 -3.859 1140TIP3 OH2 9728 -4.194 -2.099 -3.333 1140TIP3 H1 9729 -4.161 -2.190 -3.330 1140TIP3 H2 9730 -4.116 -2.046 -3.311 1141TIP3 OH2 9731 -4.332 -1.840 -3.244 1141TIP3 H1 9732 -4.293 -1.886 -3.320 1141TIP3 H2 9733 -4.329 -1.747 -3.273 1142TIP3 OH2 9734 -2.516 -2.201 -2.663 1142TIP3 H1 9735 -2.603 -2.164 -2.637 1142TIP3 H2 9736 -2.541 -2.256 -2.739 1143TIP3 OH2 9737 -2.513 -2.181 -4.180 1143TIP3 H1 9738 -2.485 -2.257 -4.232 1143TIP3 H2 9739 -2.428 -2.135 -4.169 1144TIP3 OH2 9740 -4.316 -2.226 -3.895 1144TIP3 H1 9741 -4.401 -2.199 -3.931 1144TIP3 H2 9742 -4.258 -2.158 -3.936 1145TIP3 OH2 9743 -2.830 -0.687 -3.643 1145TIP3 H1 9744 -2.776 -0.709 -3.720 1145TIP3 H2 9745 -2.766 -0.642 -3.585 1146TIP3 OH2 9746 -4.292 -2.332 -3.059 1146TIP3 H1 9747 -4.359 -2.339 -2.987 1146TIP3 H2 9748 -4.336 -2.280 -3.128 1147TIP3 OH2 9749 -3.808 -0.910 -3.021 1147TIP3 H1 9750 -3.830 -0.817 -3.040 1147TIP3 H2 9751 -3.713 -0.902 -3.003 1148TIP3 OH2 9752 -3.345 -0.788 -2.703 1148TIP3 H1 9753 -3.344 -0.797 -2.606 1148TIP3 H2 9754 -3.266 -0.734 -2.720 1149TIP3 OH2 9755 -3.116 -0.642 -2.779 1149TIP3 H1 9756 -3.049 -0.710 -2.789 1149TIP3 H2 9757 -3.090 -0.602 -2.694 1150TIP3 OH2 9758 -2.639 -2.376 -2.858 1150TIP3 H1 9759 -2.721 -2.359 -2.907 1150TIP3 H2 9760 -2.617 -2.467 -2.889 1151TIP3 OH2 9761 -4.076 -0.560 -2.935 1151TIP3 H1 9762 -4.137 -0.554 -3.010 1151TIP3 H2 9763 -4.105 -0.640 -2.889 1152TIP3 OH2 9764 -3.819 -0.635 -3.111 1152TIP3 H1 9765 -3.901 -0.612 -3.065 1152TIP3 H2 9766 -3.815 -0.569 -3.183 1153TIP3 OH2 9767 -3.338 -0.640 -3.156 1153TIP3 H1 9768 -3.379 -0.593 -3.231 1153TIP3 H2 9769 -3.332 -0.567 -3.091 1154TIP3 OH2 9770 -3.107 -0.772 -3.062 1154TIP3 H1 9771 -3.192 -0.734 -3.093 1154TIP3 H2 9772 -3.052 -0.692 -3.062 1155TIP3 OH2 9773 -2.854 -0.598 -3.043 1155TIP3 H1 9774 -2.858 -0.501 -3.058 1155TIP3 H2 9775 -2.827 -0.627 -3.131 1156TIP3 OH2 9776 -4.116 -0.726 -3.267 1156TIP3 H1 9777 -4.132 -0.783 -3.188 1156TIP3 H2 9778 -4.049 -0.780 -3.314 1157TIP3 OH2 9779 -3.909 -0.862 -3.426 1157TIP3 H1 9780 -3.927 -0.953 -3.394 1157TIP3 H2 9781 -3.821 -0.846 -3.387 1158TIP3 OH2 9782 -3.627 -0.816 -3.339 1158TIP3 H1 9783 -3.615 -0.910 -3.360 1158TIP3 H2 9784 -3.625 -0.820 -3.242 1159TIP3 OH2 9785 -3.295 -2.226 -3.439 1159TIP3 H1 9786 -3.351 -2.291 -3.394 1159TIP3 H2 9787 -3.219 -2.280 -3.468 1160TIP3 OH2 9788 -2.802 -2.421 -3.362 1160TIP3 H1 9789 -2.722 -2.386 -3.404 1160TIP3 H2 9790 -2.874 -2.381 -3.413 1161TIP3 OH2 9791 -2.596 -2.305 -3.577 1161TIP3 H1 9792 -2.527 -2.357 -3.621 1161TIP3 H2 9793 -2.554 -2.217 -3.570 1162TIP3 OH2 9794 -4.101 -2.368 -3.661 1162TIP3 H1 9795 -4.180 -2.394 -3.710 1162TIP3 H2 9796 -4.047 -2.449 -3.665 1163TIP3 OH2 9797 -4.177 -2.400 -4.081 1163TIP3 H1 9798 -4.134 -2.330 -4.134 1163TIP3 H2 9799 -4.230 -2.346 -4.019 1164TIP3 OH2 9800 -3.047 -2.368 -3.520 1164TIP3 H1 9801 -3.042 -2.368 -3.618 1164TIP3 H2 9802 -3.074 -2.458 -3.498 1165TIP3 OH2 9803 -2.943 -2.365 -3.925 1165TIP3 H1 9804 -3.023 -2.313 -3.945 1165TIP3 H2 9805 -2.974 -2.456 -3.933 1166TIP3 OH2 9806 -4.178 -0.804 -3.992 1166TIP3 H1 9807 -4.266 -0.825 -4.027 1166TIP3 H2 9808 -4.186 -0.711 -3.971 1167TIP3 OH2 9809 -4.001 -2.219 -4.233 1167TIP3 H1 9810 -3.950 -2.290 -4.274 1167TIP3 H2 9811 -3.939 -2.184 -4.167 1168TIP3 OH2 9812 -3.298 -0.646 -4.146 1168TIP3 H1 9813 -3.200 -0.634 -4.150 1168TIP3 H2 9814 -3.308 -0.708 -4.221 1169TIP3 OH2 9815 -2.633 -0.727 -3.885 1169TIP3 H1 9816 -2.666 -0.810 -3.927 1169TIP3 H2 9817 -2.658 -0.660 -3.952 1170TIP3 OH2 9818 -4.079 -2.330 -2.703 1170TIP3 H1 9819 -4.124 -2.405 -2.662 1170TIP3 H2 9820 -3.988 -2.345 -2.672 1171TIP3 OH2 9821 -3.845 -2.392 -2.527 1171TIP3 H1 9822 -3.762 -2.426 -2.566 1171TIP3 H2 9823 -3.878 -2.472 -2.482 1172TIP3 OH2 9824 -3.980 -0.703 -4.245 1172TIP3 H1 9825 -4.020 -0.679 -4.160 1172TIP3 H2 9826 -3.918 -0.772 -4.220 1173TIP3 OH2 9827 -3.031 -2.460 -2.509 1173TIP3 H1 9828 -3.029 -2.507 -2.423 1173TIP3 H2 9829 -2.937 -2.464 -2.535 1174TIP3 OH2 9830 -2.693 -0.849 -2.649 1174TIP3 H1 9831 -2.778 -0.859 -2.692 1174TIP3 H2 9832 -2.699 -0.755 -2.619 1175TIP3 OH2 9833 -1.274 -1.482 -3.628 1175TIP3 H1 9834 -1.276 -1.386 -3.614 1175TIP3 H2 9835 -1.352 -1.495 -3.684 1176TIP3 OH2 9836 -1.390 -1.537 -3.320 1176TIP3 H1 9837 -1.390 -1.592 -3.240 1176TIP3 H2 9838 -1.417 -1.600 -3.388 1177TIP3 OH2 9839 -2.142 -1.578 -3.152 1177TIP3 H1 9840 -2.143 -1.654 -3.091 1177TIP3 H2 9841 -2.071 -1.525 -3.114 1178TIP3 OH2 9842 -1.022 -1.262 -3.488 1178TIP3 H1 9843 -1.058 -1.334 -3.435 1178TIP3 H2 9844 -0.993 -1.201 -3.419 1179TIP3 OH2 9845 -2.077 -1.114 -3.305 1179TIP3 H1 9846 -2.100 -1.206 -3.329 1179TIP3 H2 9847 -1.984 -1.126 -3.279 1180TIP3 OH2 9848 -2.376 -1.774 -3.763 1180TIP3 H1 9849 -2.417 -1.686 -3.753 1180TIP3 H2 9850 -2.446 -1.823 -3.808 1181TIP3 OH2 9851 -2.297 -1.529 -3.579 1181TIP3 H1 9852 -2.282 -1.612 -3.530 1181TIP3 H2 9853 -2.212 -1.518 -3.625 1182TIP3 OH2 9854 -1.315 -0.726 -3.432 1182TIP3 H1 9855 -1.257 -0.799 -3.463 1182TIP3 H2 9856 -1.343 -0.758 -3.345 1183TIP3 OH2 9857 -1.541 -1.286 -3.264 1183TIP3 H1 9858 -1.508 -1.359 -3.319 1183TIP3 H2 9859 -1.460 -1.270 -3.211 1184TIP3 OH2 9860 -0.674 -2.135 -3.199 1184TIP3 H1 9861 -0.650 -2.073 -3.128 1184TIP3 H2 9862 -0.613 -2.105 -3.270 1185TIP3 OH2 9863 -1.210 -1.852 -3.213 1185TIP3 H1 9864 -1.197 -1.948 -3.206 1185TIP3 H2 9865 -1.220 -1.841 -3.309 1186TIP3 OH2 9866 -1.914 -2.052 -3.505 1186TIP3 H1 9867 -1.899 -1.967 -3.550 1186TIP3 H2 9868 -1.949 -2.105 -3.579 1187TIP3 OH2 9869 -1.130 -2.036 -3.674 1187TIP3 H1 9870 -1.073 -2.080 -3.608 1187TIP3 H2 9871 -1.064 -1.992 -3.730 1188TIP3 OH2 9872 -2.244 -1.778 -3.454 1188TIP3 H1 9873 -2.181 -1.826 -3.397 1188TIP3 H2 9874 -2.236 -1.828 -3.537 1189TIP3 OH2 9875 -1.706 -1.640 -3.509 1189TIP3 H1 9876 -1.636 -1.694 -3.469 1189TIP3 H2 9877 -1.757 -1.707 -3.559 1190TIP3 OH2 9878 -0.601 -1.997 -2.951 1190TIP3 H1 9879 -0.660 -1.925 -2.980 1190TIP3 H2 9880 -0.620 -1.998 -2.856 1191TIP3 OH2 9881 -2.033 -2.172 -3.089 1191TIP3 H1 9882 -2.075 -2.122 -3.161 1191TIP3 H2 9883 -2.098 -2.161 -3.018 1192TIP3 OH2 9884 -1.281 -1.194 -3.752 1192TIP3 H1 9885 -1.320 -1.221 -3.835 1192TIP3 H2 9886 -1.329 -1.111 -3.732 1193TIP3 OH2 9887 -1.740 -1.384 -3.077 1193TIP3 H1 9888 -1.814 -1.325 -3.051 1193TIP3 H2 9889 -1.678 -1.322 -3.119 1194TIP3 OH2 9890 -0.945 -2.110 -3.470 1194TIP3 H1 9891 -0.987 -2.169 -3.405 1194TIP3 H2 9892 -0.894 -2.050 -3.413 1195TIP3 OH2 9893 -2.074 -1.967 -3.296 1195TIP3 H1 9894 -2.009 -1.911 -3.248 1195TIP3 H2 9895 -2.016 -2.004 -3.365 1196TIP3 OH2 9896 -1.943 -1.197 -3.006 1196TIP3 H1 9897 -1.945 -1.104 -3.033 1196TIP3 H2 9898 -2.028 -1.204 -2.959 1197TIP3 OH2 9899 -2.312 -1.226 -3.919 1197TIP3 H1 9900 -2.330 -1.182 -4.003 1197TIP3 H2 9901 -2.295 -1.152 -3.857 1198TIP3 OH2 9902 -0.966 -1.083 -3.240 1198TIP3 H1 9903 -1.063 -1.070 -3.236 1198TIP3 H2 9904 -0.938 -0.996 -3.275 1199TIP3 OH2 9905 -0.933 -2.195 -3.085 1199TIP3 H1 9906 -1.010 -2.156 -3.130 1199TIP3 H2 9907 -0.860 -2.176 -3.148 1200TIP3 OH2 9908 -1.619 -2.423 -3.380 1200TIP3 H1 9909 -1.642 -2.518 -3.385 1200TIP3 H2 9910 -1.702 -2.385 -3.343 1201TIP3 OH2 9911 -1.136 -0.887 -3.583 1201TIP3 H1 9912 -1.088 -0.967 -3.612 1201TIP3 H2 9913 -1.067 -0.819 -3.592 1202TIP3 OH2 9914 -0.989 -1.101 -3.722 1202TIP3 H1 9915 -1.044 -1.148 -3.786 1202TIP3 H2 9916 -0.994 -1.163 -3.646 1203TIP3 OH2 9917 -0.835 -1.219 -2.870 1203TIP3 H1 9918 -0.846 -1.284 -2.943 1203TIP3 H2 9919 -0.824 -1.136 -2.920 1204TIP3 OH2 9920 -1.406 -1.531 -3.905 1204TIP3 H1 9921 -1.473 -1.470 -3.940 1204TIP3 H2 9922 -1.334 -1.523 -3.970 1205TIP3 OH2 9923 -1.389 -1.706 -4.207 1205TIP3 H1 9924 -1.321 -1.676 -4.144 1205TIP3 H2 9925 -1.335 -1.767 -4.262 1206TIP3 OH2 9926 -0.660 -1.602 -3.076 1206TIP3 H1 9927 -0.732 -1.537 -3.068 1206TIP3 H2 9928 -0.612 -1.567 -3.154 1207TIP3 OH2 9929 -1.058 -1.529 -3.795 1207TIP3 H1 9930 -1.127 -1.509 -3.727 1207TIP3 H2 9931 -0.999 -1.586 -3.742 1208TIP3 OH2 9932 -1.075 -1.675 -2.909 1208TIP3 H1 9933 -1.069 -1.593 -2.858 1208TIP3 H2 9934 -1.140 -1.646 -2.976 1209TIP3 OH2 9935 -1.899 -1.452 -3.616 1209TIP3 H1 9936 -1.929 -1.496 -3.698 1209TIP3 H2 9937 -1.834 -1.516 -3.582 1210TIP3 OH2 9938 -1.762 -1.110 -3.343 1210TIP3 H1 9939 -1.773 -1.152 -3.429 1210TIP3 H2 9940 -1.683 -1.157 -3.308 1211TIP3 OH2 9941 -1.841 -1.570 -3.267 1211TIP3 H1 9942 -1.782 -1.567 -3.345 1211TIP3 H2 9943 -1.800 -1.504 -3.208 1212TIP3 OH2 9944 -1.245 -1.020 -3.210 1212TIP3 H1 9945 -1.244 -0.952 -3.139 1212TIP3 H2 9946 -1.268 -1.101 -3.162 1213TIP3 OH2 9947 -1.756 -1.139 -2.784 1213TIP3 H1 9948 -1.806 -1.073 -2.733 1213TIP3 H2 9949 -1.821 -1.165 -2.852 1214TIP3 OH2 9950 -1.151 -1.582 -4.057 1214TIP3 H1 9951 -1.109 -1.557 -3.972 1214TIP3 H2 9952 -1.089 -1.541 -4.121 1215TIP3 OH2 9953 -2.063 -1.496 -2.873 1215TIP3 H1 9954 -2.058 -1.442 -2.792 1215TIP3 H2 9955 -2.159 -1.514 -2.878 1216TIP3 OH2 9956 -1.418 -0.923 -3.696 1216TIP3 H1 9957 -1.368 -0.898 -3.617 1216TIP3 H2 9958 -1.465 -0.842 -3.718 1217TIP3 OH2 9959 -1.945 -0.922 -2.702 1217TIP3 H1 9960 -1.958 -0.917 -2.798 1217TIP3 H2 9961 -2.033 -0.947 -2.669 1218TIP3 OH2 9962 -0.811 -2.416 -4.057 1218TIP3 H1 9963 -0.908 -2.408 -4.047 1218TIP3 H2 9964 -0.790 -2.336 -4.107 1219TIP3 OH2 9965 -2.006 -1.577 -3.862 1219TIP3 H1 9966 -2.030 -1.502 -3.920 1219TIP3 H2 9967 -2.072 -1.643 -3.888 1220TIP3 OH2 9968 -0.701 -0.982 -4.256 1220TIP3 H1 9969 -0.672 -0.906 -4.203 1220TIP3 H2 9970 -0.630 -1.048 -4.239 1221TIP3 OH2 9971 -2.405 -1.311 -2.991 1221TIP3 H1 9972 -2.442 -1.314 -3.081 1221TIP3 H2 9973 -2.385 -1.406 -2.974 1222TIP3 OH2 9974 -2.395 -1.019 -3.295 1222TIP3 H1 9975 -2.302 -1.047 -3.293 1222TIP3 H2 9976 -2.396 -0.952 -3.224 1223TIP3 OH2 9977 -0.557 -0.955 -2.721 1223TIP3 H1 9978 -0.567 -1.050 -2.739 1223TIP3 H2 9979 -0.648 -0.932 -2.691 1224TIP3 OH2 9980 -1.492 -1.033 -2.841 1224TIP3 H1 9981 -1.484 -0.952 -2.787 1224TIP3 H2 9982 -1.582 -1.064 -2.816 1225TIP3 OH2 9983 -1.461 -0.654 -3.847 1225TIP3 H1 9984 -1.462 -0.642 -3.944 1225TIP3 H2 9985 -1.457 -0.562 -3.814 1226TIP3 OH2 9986 -2.083 -0.741 -3.681 1226TIP3 H1 9987 -2.066 -0.783 -3.594 1226TIP3 H2 9988 -2.170 -0.779 -3.702 1227TIP3 OH2 9989 -1.138 -0.691 -4.133 1227TIP3 H1 9990 -1.094 -0.752 -4.196 1227TIP3 H2 9991 -1.138 -0.744 -4.051 1228TIP3 OH2 9992 -1.190 -0.766 -3.862 1228TIP3 H1 9993 -1.283 -0.749 -3.840 1228TIP3 H2 9994 -1.168 -0.834 -3.796 1229TIP3 OH2 9995 -0.878 -1.821 -2.677 1229TIP3 H1 9996 -0.930 -1.781 -2.749 1229TIP3 H2 9997 -0.874 -1.914 -2.706 1230TIP3 OH2 9998 -2.184 -1.155 -2.863 1230TIP3 H1 9999 -2.154 -1.202 -2.782 1230TIP3 H210000 -2.254 -1.214 -2.898 1231TIP3 OH210001 -1.862 -2.308 -3.289 1231TIP3 H110002 -1.944 -2.315 -3.341 1231TIP3 H210003 -1.886 -2.236 -3.229 1232TIP3 OH210004 -1.425 -2.351 -2.925 1232TIP3 H110005 -1.373 -2.403 -2.861 1232TIP3 H210006 -1.516 -2.384 -2.912 1233TIP3 OH210007 -1.108 -1.971 -2.872 1233TIP3 H110008 -1.170 -1.987 -2.798 1233TIP3 H210009 -1.116 -1.875 -2.887 1234TIP3 OH210010 -0.929 -1.503 -4.250 1234TIP3 H110011 -0.976 -1.520 -4.333 1234TIP3 H210012 -0.896 -1.414 -4.268 1235TIP3 OH210013 -1.442 -2.112 -4.216 1235TIP3 H110014 -1.497 -2.109 -4.137 1235TIP3 H210015 -1.488 -2.181 -4.266 1236TIP3 OH210016 -1.877 -1.830 -3.150 1236TIP3 H110017 -1.931 -1.818 -3.070 1236TIP3 H210018 -1.869 -1.738 -3.184 1237TIP3 OH210019 -1.882 -1.821 -3.661 1237TIP3 H110020 -1.977 -1.833 -3.677 1237TIP3 H210021 -1.847 -1.842 -3.750 1238TIP3 OH210022 -1.314 -1.768 -3.785 1238TIP3 H110023 -1.355 -1.685 -3.818 1238TIP3 H210024 -1.250 -1.788 -3.856 1239TIP3 OH210025 -1.402 -1.745 -2.647 1239TIP3 H110026 -1.453 -1.821 -2.611 1239TIP3 H210027 -1.315 -1.759 -2.606 1240TIP3 OH210028 -1.235 -1.827 -3.505 1240TIP3 H110029 -1.263 -1.769 -3.580 1240TIP3 H210030 -1.214 -1.908 -3.556 1241TIP3 OH210031 -2.145 -1.811 -2.963 1241TIP3 H110032 -2.111 -1.785 -2.877 1241TIP3 H210033 -2.177 -1.902 -2.944 1242TIP3 OH210034 -1.764 -2.066 -4.311 1242TIP3 H110035 -1.801 -2.100 -4.227 1242TIP3 H210036 -1.843 -2.021 -4.348 1243TIP3 OH210037 -2.456 -2.064 -3.601 1243TIP3 H110038 -2.395 -2.069 -3.525 1243TIP3 H210039 -2.406 -2.105 -3.673 1244TIP3 OH210040 -2.301 -2.023 -4.038 1244TIP3 H110041 -2.243 -1.978 -4.101 1244TIP3 H210042 -2.366 -1.954 -4.018 1245TIP3 OH210043 -1.326 -1.658 -3.059 1245TIP3 H110044 -1.282 -1.731 -3.109 1245TIP3 H210045 -1.359 -1.706 -2.981 1246TIP3 OH210046 -1.604 -2.063 -3.557 1246TIP3 H110047 -1.699 -2.068 -3.535 1246TIP3 H210048 -1.563 -2.083 -3.471 1247TIP3 OH210049 -2.147 -1.941 -3.690 1247TIP3 H110050 -2.229 -1.915 -3.736 1247TIP3 H210051 -2.118 -2.020 -3.738 1248TIP3 OH210052 -1.787 -1.899 -3.920 1248TIP3 H110053 -1.690 -1.898 -3.916 1248TIP3 H210054 -1.809 -1.843 -3.997 1249TIP3 OH210055 -1.166 -2.149 -3.256 1249TIP3 H110056 -1.230 -2.148 -3.181 1249TIP3 H210057 -1.224 -2.183 -3.326 1250TIP3 OH210058 -1.930 -1.784 -4.160 1250TIP3 H110059 -1.990 -1.839 -4.213 1250TIP3 H210060 -1.854 -1.774 -4.218 1251TIP3 OH210061 -0.866 -0.572 -2.590 1251TIP3 H110062 -0.842 -0.525 -2.671 1251TIP3 H210063 -0.800 -0.538 -2.527 1252TIP3 OH210064 -2.075 -1.310 -2.647 1252TIP3 H110065 -2.008 -1.302 -2.576 1252TIP3 H210066 -2.156 -1.309 -2.593 1253TIP3 OH210067 -1.503 -1.808 -3.375 1253TIP3 H110068 -1.430 -1.852 -3.420 1253TIP3 H210069 -1.520 -1.869 -3.300 1254TIP3 OH210070 -1.972 -2.167 -3.762 1254TIP3 H110071 -2.027 -2.245 -3.748 1254TIP3 H210072 -1.890 -2.206 -3.796 1255TIP3 OH210073 -1.605 -1.962 -3.151 1255TIP3 H110074 -1.684 -1.905 -3.149 1255TIP3 H210075 -1.558 -1.938 -3.069 1256TIP3 OH210076 -1.591 -1.324 -3.961 1256TIP3 H110077 -1.668 -1.374 -3.995 1256TIP3 H210078 -1.611 -1.319 -3.864 1257TIP3 OH210079 -0.869 -1.408 -3.087 1257TIP3 H110080 -0.820 -1.353 -3.152 1257TIP3 H210081 -0.955 -1.419 -3.132 1258TIP3 OH210082 -1.175 -2.047 -4.183 1258TIP3 H110083 -1.273 -2.051 -4.186 1258TIP3 H210084 -1.156 -1.971 -4.125 1259TIP3 OH210085 -1.429 -1.323 -2.829 1259TIP3 H110086 -1.457 -1.355 -2.742 1259TIP3 H210087 -1.458 -1.231 -2.828 1260TIP3 OH210088 -1.115 -1.861 -3.988 1260TIP3 H110089 -1.029 -1.880 -3.945 1260TIP3 H210090 -1.100 -1.775 -4.029 1261TIP3 OH210091 -2.079 -1.385 -3.378 1261TIP3 H110092 -2.022 -1.396 -3.457 1261TIP3 H210093 -2.067 -1.471 -3.333 1262TIP3 OH210094 -1.348 -1.189 -4.072 1262TIP3 H110095 -1.376 -1.102 -4.038 1262TIP3 H210096 -1.423 -1.244 -4.042 1263TIP3 OH210097 -2.356 -1.557 -2.853 1263TIP3 H110098 -2.338 -1.600 -2.767 1263TIP3 H210099 -2.415 -1.622 -2.896 1264TIP3 OH210100 -1.655 -1.606 -2.655 1264TIP3 H110101 -1.688 -1.632 -2.742 1264TIP3 H210102 -1.562 -1.635 -2.661 1265TIP3 OH210103 -1.202 -1.064 -2.882 1265TIP3 H110104 -1.298 -1.055 -2.887 1265TIP3 H210105 -1.185 -1.039 -2.789 1266TIP3 OH210106 -0.644 -1.851 -3.999 1266TIP3 H110107 -0.707 -1.872 -4.071 1266TIP3 H210108 -0.632 -1.757 -4.017 1267TIP3 OH210109 -0.603 -1.255 -2.723 1267TIP3 H110110 -0.697 -1.233 -2.742 1267TIP3 H210111 -0.569 -1.272 -2.813 1268TIP3 OH210112 -0.821 -0.996 -3.993 1268TIP3 H110113 -0.852 -1.069 -3.938 1268TIP3 H210114 -0.786 -1.042 -4.071 1269TIP3 OH210115 -1.104 -1.464 -3.257 1269TIP3 H110116 -1.197 -1.480 -3.280 1269TIP3 H210117 -1.060 -1.537 -3.306 1270TIP3 OH210118 -1.840 -1.057 -3.655 1270TIP3 H110119 -1.798 -0.970 -3.664 1270TIP3 H210120 -1.933 -1.037 -3.674 1271TIP3 OH210121 -2.234 -1.565 -4.200 1271TIP3 H110122 -2.178 -1.501 -4.152 1271TIP3 H210123 -2.323 -1.544 -4.167 1272TIP3 OH210124 -1.657 -1.287 -3.692 1272TIP3 H110125 -1.689 -1.196 -3.676 1272TIP3 H210126 -1.726 -1.338 -3.647 1273TIP3 OH210127 -1.641 -0.862 -3.055 1273TIP3 H110128 -1.585 -0.786 -3.082 1273TIP3 H210129 -1.580 -0.911 -2.998 1274TIP3 OH210130 -1.796 -0.766 -3.735 1274TIP3 H110131 -1.892 -0.753 -3.724 1274TIP3 H210132 -1.761 -0.679 -3.708 1275TIP3 OH210133 -1.301 -1.287 -3.098 1275TIP3 H110134 -1.329 -1.314 -3.009 1275TIP3 H210135 -1.226 -1.347 -3.115 1276TIP3 OH210136 -1.082 -1.152 -4.194 1276TIP3 H110137 -1.035 -1.200 -4.123 1276TIP3 H210138 -1.173 -1.165 -4.163 1277TIP3 OH210139 -1.005 -0.831 -2.860 1277TIP3 H110140 -1.081 -0.875 -2.900 1277TIP3 H210141 -0.996 -0.750 -2.914 1278TIP3 OH210142 -0.595 -0.712 -4.161 1278TIP3 H110143 -0.524 -0.646 -4.146 1278TIP3 H210144 -0.674 -0.660 -4.135 1279TIP3 OH210145 -2.220 -2.093 -2.892 1279TIP3 H110146 -2.312 -2.067 -2.914 1279TIP3 H210147 -2.234 -2.178 -2.847 1280TIP3 OH210148 -0.985 -1.297 -3.970 1280TIP3 H110149 -1.013 -1.367 -3.908 1280TIP3 H210150 -0.888 -1.301 -3.959 1281TIP3 OH210151 -2.247 -0.918 -3.049 1281TIP3 H110152 -2.213 -1.007 -3.032 1281TIP3 H210153 -2.224 -0.873 -2.966 1282TIP3 OH210154 -1.634 -1.054 -4.325 1282TIP3 H110155 -1.598 -1.139 -4.355 1282TIP3 H210156 -1.690 -1.083 -4.251 1283TIP3 OH210157 -1.781 -1.099 -4.074 1283TIP3 H110158 -1.728 -1.153 -4.014 1283TIP3 H210159 -1.758 -1.007 -4.047 1284TIP3 OH210160 -2.094 -1.362 -4.038 1284TIP3 H110161 -2.168 -1.321 -3.988 1284TIP3 H210162 -2.045 -1.284 -4.067 1285TIP3 OH210163 -1.323 -2.109 -3.036 1285TIP3 H110164 -1.262 -2.082 -2.965 1285TIP3 H210165 -1.373 -2.182 -2.995 1286TIP3 OH210166 -1.265 -2.152 -3.921 1286TIP3 H110167 -1.233 -2.104 -3.998 1286TIP3 H210168 -1.213 -2.114 -3.849 1287TIP3 OH210169 -1.484 -0.940 -4.029 1287TIP3 H110170 -1.561 -0.889 -4.001 1287TIP3 H210171 -1.432 -0.873 -4.074 1288TIP3 OH210172 -1.521 -1.961 -3.815 1288TIP3 H110173 -1.441 -1.906 -3.800 1288TIP3 H210174 -1.549 -1.980 -3.724 1289TIP3 OH210175 -1.481 -1.874 -2.900 1289TIP3 H110176 -1.478 -1.822 -2.818 1289TIP3 H210177 -1.429 -1.951 -2.876 1290TIP3 OH210178 -1.456 -2.261 -3.723 1290TIP3 H110179 -1.477 -2.192 -3.657 1290TIP3 H210180 -1.386 -2.217 -3.775 1291TIP3 OH210181 -1.763 -0.821 -4.025 1291TIP3 H110182 -1.759 -0.735 -4.072 1291TIP3 H210183 -1.777 -0.793 -3.932 1292TIP3 OH210184 -1.886 -2.152 -4.081 1292TIP3 H110185 -1.890 -2.084 -4.012 1292TIP3 H210186 -1.814 -2.210 -4.048 1293TIP3 OH210187 -0.855 -2.073 -2.810 1293TIP3 H110188 -0.951 -2.060 -2.825 1293TIP3 H210189 -0.829 -2.095 -2.900 1294TIP3 OH210190 -1.004 -1.689 -3.409 1294TIP3 H110191 -1.086 -1.734 -3.435 1294TIP3 H210192 -0.956 -1.760 -3.361 1295TIP3 OH210193 -2.052 -1.064 -4.158 1295TIP3 H110194 -1.970 -1.038 -4.113 1295TIP3 H210195 -2.015 -1.117 -4.230 1296TIP3 OH210196 -2.226 -1.847 -4.256 1296TIP3 H110197 -2.214 -1.752 -4.239 1296TIP3 H210198 -2.317 -1.850 -4.289 1297TIP3 OH210199 -0.902 -0.805 -3.272 1297TIP3 H110200 -0.918 -0.721 -3.319 1297TIP3 H210201 -0.810 -0.791 -3.243 1298TIP3 OH210202 -2.141 -2.352 -3.371 1298TIP3 H110203 -2.158 -2.355 -3.467 1298TIP3 H210204 -2.174 -2.439 -3.340 1299TIP3 OH210205 -2.254 -1.002 -3.748 1299TIP3 H110206 -2.331 -0.949 -3.724 1299TIP3 H210207 -2.213 -0.950 -3.818 1300TIP3 OH210208 -2.305 -0.714 -2.635 1300TIP3 H110209 -2.254 -0.736 -2.555 1300TIP3 H210210 -2.347 -0.799 -2.658 1301TIP3 OH210211 -1.840 -0.804 -2.448 1301TIP3 H110212 -1.772 -0.870 -2.427 1301TIP3 H210213 -1.863 -0.831 -2.539 1302TIP3 OH210214 -1.419 -0.871 -4.333 1302TIP3 H110215 -1.501 -0.925 -4.325 1302TIP3 H210216 -1.355 -0.941 -4.352 1303TIP3 OH210217 -1.193 -0.981 -2.594 1303TIP3 H110218 -1.234 -1.060 -2.555 1303TIP3 H210219 -1.126 -0.956 -2.527 1304TIP3 OH210220 -1.023 -0.886 -4.288 1304TIP3 H110221 -1.024 -0.975 -4.248 1304TIP3 H210222 -0.936 -0.885 -4.328 1305TIP3 OH210223 -2.329 -1.342 -2.536 1305TIP3 H110224 -2.318 -1.435 -2.560 1305TIP3 H210225 -2.405 -1.316 -2.591 1306TIP3 OH210226 -1.888 -1.288 -4.306 1306TIP3 H110227 -1.878 -1.361 -4.243 1306TIP3 H210228 -1.823 -1.311 -4.374 1307TIP3 OH210229 -1.651 -1.330 -2.583 1307TIP3 H110230 -1.683 -1.297 -2.668 1307TIP3 H210231 -1.645 -1.427 -2.597 1308TIP3 OH210232 -1.357 -1.188 -4.348 1308TIP3 H110233 -1.346 -1.180 -4.251 1308TIP3 H210234 -1.296 -1.260 -4.371 1309TIP3 OH210235 -1.116 -1.369 -2.844 1309TIP3 H110236 -1.038 -1.314 -2.862 1309TIP3 H210237 -1.186 -1.301 -2.844 1310TIP3 OH210238 -2.231 -1.631 -2.601 1310TIP3 H110239 -2.159 -1.697 -2.600 1310TIP3 H210240 -2.235 -1.609 -2.506 1311TIP3 OH210241 -1.786 -1.499 -4.089 1311TIP3 H110242 -1.848 -1.546 -4.030 1311TIP3 H210243 -1.752 -1.572 -4.144 1312TIP3 OH210244 -1.866 -1.724 -2.860 1312TIP3 H110245 -1.916 -1.645 -2.834 1312TIP3 H210246 -1.798 -1.686 -2.918 1313TIP3 OH210247 -1.668 -1.685 -4.277 1313TIP3 H110248 -1.662 -1.716 -4.369 1313TIP3 H210249 -1.573 -1.690 -4.251 1314TIP3 OH210250 -1.333 -1.452 -2.501 1314TIP3 H110251 -1.243 -1.472 -2.531 1314TIP3 H210252 -1.359 -1.536 -2.461 1315TIP3 OH210253 -1.803 -1.992 -2.742 1315TIP3 H110254 -1.798 -2.059 -2.812 1315TIP3 H210255 -1.826 -1.912 -2.793 1316TIP3 OH210256 -1.771 -2.147 -2.997 1316TIP3 H110257 -1.720 -2.095 -3.062 1316TIP3 H210258 -1.862 -2.144 -3.033 1317TIP3 OH210259 -1.618 -1.602 -2.957 1317TIP3 H110260 -1.533 -1.611 -3.004 1317TIP3 H210261 -1.647 -1.514 -2.987 1318TIP3 OH210262 -1.159 -1.808 -2.479 1318TIP3 H110263 -1.137 -1.901 -2.464 1318TIP3 H210264 -1.071 -1.768 -2.486 1319TIP3 OH210265 -1.061 -1.529 -2.628 1319TIP3 H110266 -1.096 -1.468 -2.697 1319TIP3 H210267 -0.972 -1.545 -2.665 1320TIP3 OH210268 -1.985 -1.807 -2.565 1320TIP3 H110269 -2.039 -1.888 -2.561 1320TIP3 H210270 -1.903 -1.840 -2.606 1321TIP3 OH210271 -1.699 -2.414 -2.962 1321TIP3 H110272 -1.717 -2.319 -2.977 1321TIP3 H210273 -1.769 -2.456 -3.015 1322TIP3 OH210274 -1.573 -1.957 -2.582 1322TIP3 H110275 -1.610 -1.979 -2.494 1322TIP3 H210276 -1.652 -1.976 -2.637 1323TIP3 OH210277 -1.319 -2.052 -2.696 1323TIP3 H110278 -1.408 -2.047 -2.656 1323TIP3 H210279 -1.274 -2.115 -2.637 1324TIP3 OH210280 -1.130 -2.204 -2.520 1324TIP3 H110281 -1.151 -2.298 -2.506 1324TIP3 H210282 -1.154 -2.162 -2.435 1325TIP3 OH210283 -2.117 -2.063 -2.579 1325TIP3 H110284 -2.126 -2.135 -2.644 1325TIP3 H210285 -2.139 -2.109 -2.496 1326TIP3 OH210286 -1.714 -2.464 -2.680 1326TIP3 H110287 -1.657 -2.542 -2.674 1326TIP3 H210288 -1.718 -2.450 -2.776 1327TIP3 OH210289 -1.619 -2.276 -2.497 1327TIP3 H110290 -1.651 -2.337 -2.566 1327TIP3 H210291 -1.691 -2.211 -2.491 1328TIP3 OH210292 -1.708 -0.574 -4.173 1328TIP3 H110293 -1.613 -0.559 -4.161 1328TIP3 H210294 -1.732 -0.512 -4.243 1329TIP3 OH210295 -2.324 -1.168 -4.197 1329TIP3 H110296 -2.234 -1.131 -4.197 1329TIP3 H210297 -2.325 -1.222 -4.277 1330TIP3 OH210298 -2.417 -0.618 -3.722 1330TIP3 H110299 -2.492 -0.651 -3.775 1330TIP3 H210300 -2.414 -0.683 -3.649 1331TIP3 OH210301 -2.383 -0.814 -3.521 1331TIP3 H110302 -2.413 -0.900 -3.489 1331TIP3 H210303 -2.352 -0.776 -3.437 1332TIP3 OH210304 -0.630 -0.685 -3.220 1332TIP3 H110305 -0.615 -0.688 -3.124 1332TIP3 H210306 -0.543 -0.658 -3.251 1333TIP3 OH210307 -0.641 -0.742 -2.932 1333TIP3 H110308 -0.692 -0.818 -2.967 1333TIP3 H210309 -0.584 -0.788 -2.868 1334TIP3 OH210310 -0.840 -1.198 -2.502 1334TIP3 H110311 -0.928 -1.190 -2.462 1334TIP3 H210312 -0.794 -1.118 -2.469 1335TIP3 OH210313 -0.700 -1.315 -3.930 1335TIP3 H110314 -0.610 -1.281 -3.916 1335TIP3 H210315 -0.706 -1.379 -3.857 1336TIP3 OH210316 -0.655 -1.514 -3.732 1336TIP3 H110317 -0.722 -1.571 -3.688 1336TIP3 H210318 -0.586 -1.502 -3.664 1337TIP3 OH210319 -0.682 -1.263 -3.234 1337TIP3 H110320 -0.619 -1.312 -3.290 1337TIP3 H210321 -0.668 -1.172 -3.264 1338TIP3 OH210322 -0.810 -0.971 -3.010 1338TIP3 H110323 -0.883 -0.931 -2.959 1338TIP3 H210324 -0.857 -1.008 -3.087 1339TIP3 OH210325 -0.626 -1.548 -4.108 1339TIP3 H110326 -0.690 -1.520 -4.175 1339TIP3 H210327 -0.645 -1.483 -4.038 1340TIP3 OH210328 -0.807 -1.810 -4.217 1340TIP3 H110329 -0.774 -1.736 -4.271 1340TIP3 H210330 -0.765 -1.885 -4.260 1341TIP3 OH210331 -0.862 -1.700 -3.651 1341TIP3 H110332 -0.870 -1.796 -3.666 1341TIP3 H210333 -0.900 -1.691 -3.561 1342TIP3 OH210334 -2.376 -1.480 -3.278 1342TIP3 H110335 -2.351 -1.475 -3.372 1342TIP3 H210336 -2.289 -1.503 -3.238 1343TIP3 OH210337 -0.800 -1.507 -2.737 1343TIP3 H110338 -0.727 -1.569 -2.718 1343TIP3 H210339 -0.754 -1.424 -2.755 1344TIP3 OH210340 -0.645 -1.696 -2.614 1344TIP3 H110341 -0.724 -1.750 -2.635 1344TIP3 H210342 -0.574 -1.763 -2.616 1345TIP3 OH210343 -0.881 -2.134 -4.340 1345TIP3 H110344 -0.823 -2.155 -4.266 1345TIP3 H210345 -0.969 -2.163 -4.312 1346TIP3 OH210346 -0.882 -1.946 -3.837 1346TIP3 H110347 -0.856 -2.041 -3.829 1346TIP3 H210348 -0.800 -1.909 -3.872 1347TIP3 OH210349 -0.851 -1.889 -3.289 1347TIP3 H110350 -0.753 -1.878 -3.291 1347TIP3 H210351 -0.866 -1.887 -3.193 1348TIP3 OH210352 -0.835 -1.820 -3.007 1348TIP3 H110353 -0.920 -1.781 -2.980 1348TIP3 H210354 -0.782 -1.740 -3.027 1349TIP3 OH210355 -2.384 -1.941 -2.642 1349TIP3 H110356 -2.291 -1.968 -2.633 1349TIP3 H210357 -2.429 -2.028 -2.635 1350TIP3 OH210358 -0.579 -2.405 -2.478 1350TIP3 H110359 -0.536 -2.473 -2.533 1350TIP3 H210360 -0.575 -2.327 -2.536 1351TIP3 OH210361 -0.831 -2.220 -3.827 1351TIP3 H110362 -0.818 -2.259 -3.740 1351TIP3 H210363 -0.903 -2.276 -3.863 1352TIP3 OH210364 -2.309 -2.109 -3.358 1352TIP3 H110365 -2.264 -2.195 -3.352 1352TIP3 H210366 -2.239 -2.049 -3.325 1353TIP3 OH210367 -2.456 -1.837 -3.255 1353TIP3 H110368 -2.396 -1.848 -3.330 1353TIP3 H210369 -2.416 -1.760 -3.211 1354TIP3 OH210370 -0.642 -2.200 -2.652 1354TIP3 H110371 -0.729 -2.157 -2.649 1354TIP3 H210372 -0.653 -2.254 -2.733 1355TIP3 OH210373 -0.627 -2.180 -4.177 1355TIP3 H110374 -0.605 -2.256 -4.233 1355TIP3 H210375 -0.542 -2.134 -4.170 1356TIP3 OH210376 -2.404 -2.204 -3.850 1356TIP3 H110377 -2.498 -2.204 -3.872 1356TIP3 H210378 -2.365 -2.148 -3.919 1357TIP3 OH210379 -0.943 -0.683 -3.642 1357TIP3 H110380 -0.892 -0.711 -3.720 1357TIP3 H210381 -0.875 -0.645 -3.585 1358TIP3 OH210382 -2.400 -2.319 -3.035 1358TIP3 H110383 -2.469 -2.348 -2.973 1358TIP3 H210384 -2.451 -2.270 -3.100 1359TIP3 OH210385 -2.199 -1.016 -2.566 1359TIP3 H110386 -2.272 -1.009 -2.629 1359TIP3 H210387 -2.243 -1.011 -2.480 1360TIP3 OH210388 -1.918 -0.914 -3.001 1360TIP3 H110389 -1.947 -0.827 -3.034 1360TIP3 H210390 -1.821 -0.904 -3.017 1361TIP3 OH210391 -1.465 -0.783 -2.699 1361TIP3 H110392 -1.453 -0.798 -2.604 1361TIP3 H210393 -1.383 -0.737 -2.723 1362TIP3 OH210394 -1.236 -0.636 -2.774 1362TIP3 H110395 -1.168 -0.702 -2.795 1362TIP3 H210396 -1.207 -0.605 -2.687 1363TIP3 OH210397 -0.754 -2.376 -2.855 1363TIP3 H110398 -0.834 -2.356 -2.906 1363TIP3 H210399 -0.732 -2.466 -2.888 1364TIP3 OH210400 -2.182 -0.619 -2.967 1364TIP3 H110401 -2.242 -0.554 -3.009 1364TIP3 H210402 -2.209 -0.610 -2.875 1365TIP3 OH210403 -1.931 -0.640 -3.112 1365TIP3 H110404 -2.016 -0.621 -3.067 1365TIP3 H210405 -1.927 -0.570 -3.179 1366TIP3 OH210406 -1.456 -0.640 -3.156 1366TIP3 H110407 -1.494 -0.594 -3.232 1366TIP3 H210408 -1.448 -0.567 -3.091 1367TIP3 OH210409 -1.222 -0.769 -3.065 1367TIP3 H110410 -1.307 -0.732 -3.096 1367TIP3 H210411 -1.166 -0.689 -3.063 1368TIP3 OH210412 -0.969 -0.595 -3.044 1368TIP3 H110413 -0.974 -0.500 -3.065 1368TIP3 H210414 -0.941 -0.631 -3.130 1369TIP3 OH210415 -2.221 -0.738 -3.273 1369TIP3 H110416 -2.223 -0.784 -3.186 1369TIP3 H210417 -2.144 -0.781 -3.315 1370TIP3 OH210418 -2.019 -0.862 -3.430 1370TIP3 H110419 -2.035 -0.955 -3.401 1370TIP3 H210420 -1.928 -0.847 -3.396 1371TIP3 OH210421 -1.744 -0.816 -3.340 1371TIP3 H110422 -1.725 -0.910 -3.360 1371TIP3 H210423 -1.737 -0.818 -3.243 1372TIP3 OH210424 -1.411 -2.227 -3.409 1372TIP3 H110425 -1.480 -2.294 -3.394 1372TIP3 H210426 -1.352 -2.273 -3.470 1373TIP3 OH210427 -0.916 -2.425 -3.362 1373TIP3 H110428 -0.841 -2.380 -3.405 1373TIP3 H210429 -0.991 -2.395 -3.417 1374TIP3 OH210430 -0.707 -2.315 -3.575 1374TIP3 H110431 -0.637 -2.355 -3.628 1374TIP3 H210432 -0.677 -2.223 -3.567 1375TIP3 OH210433 -2.176 -2.355 -3.652 1375TIP3 H110434 -2.262 -2.369 -3.697 1375TIP3 H210435 -2.133 -2.441 -3.668 1376TIP3 OH210436 -2.304 -2.398 -4.084 1376TIP3 H110437 -2.236 -2.339 -4.126 1376TIP3 H210438 -2.328 -2.346 -4.006 1377TIP3 OH210439 -1.729 -2.371 -3.665 1377TIP3 H110440 -1.637 -2.343 -3.679 1377TIP3 H210441 -1.731 -2.382 -3.570 1378TIP3 OH210442 -1.167 -2.369 -3.523 1378TIP3 H110443 -1.145 -2.383 -3.617 1378TIP3 H210444 -1.208 -2.454 -3.500 1379TIP3 OH210445 -1.066 -2.365 -3.914 1379TIP3 H110446 -1.145 -2.319 -3.948 1379TIP3 H210447 -1.092 -2.458 -3.928 1380TIP3 OH210448 -2.288 -0.810 -3.967 1380TIP3 H110449 -2.361 -0.811 -4.031 1380TIP3 H210450 -2.289 -0.717 -3.940 1381TIP3 OH210451 -2.129 -2.225 -4.223 1381TIP3 H110452 -2.080 -2.284 -4.281 1381TIP3 H210453 -2.057 -2.181 -4.174 1382TIP3 OH210454 -1.616 -2.207 -3.959 1382TIP3 H110455 -1.578 -2.263 -3.889 1382TIP3 H210456 -1.592 -2.120 -3.926 1383TIP3 OH210457 -1.412 -0.646 -4.146 1383TIP3 H110458 -1.315 -0.634 -4.149 1383TIP3 H210459 -1.423 -0.707 -4.221 1384TIP3 OH210460 -0.748 -0.727 -3.885 1384TIP3 H110461 -0.779 -0.811 -3.926 1384TIP3 H210462 -0.772 -0.661 -3.953 1385TIP3 OH210463 -2.193 -2.332 -2.703 1385TIP3 H110464 -2.237 -2.411 -2.665 1385TIP3 H210465 -2.102 -2.345 -2.671 1386TIP3 OH210466 -1.958 -2.393 -2.527 1386TIP3 H110467 -1.876 -2.430 -2.567 1386TIP3 H210468 -1.993 -2.472 -2.483 1387TIP3 OH210469 -2.088 -0.702 -4.232 1387TIP3 H110470 -2.130 -0.679 -4.149 1387TIP3 H210471 -2.025 -0.771 -4.207 1388TIP3 OH210472 -1.146 -2.484 -2.509 1388TIP3 H110473 -1.143 -2.524 -2.420 1388TIP3 H210474 -1.052 -2.487 -2.534 1389TIP3 OH210475 -0.808 -0.849 -2.640 1389TIP3 H110476 -0.882 -0.868 -2.700 1389TIP3 H210477 -0.826 -0.755 -2.619 1390TIP3 OH210478 0.611 -1.482 -3.627 1390TIP3 H110479 0.609 -1.385 -3.617 1390TIP3 H210480 0.536 -1.496 -3.688 1391TIP3 OH210481 0.496 -1.536 -3.319 1391TIP3 H110482 0.495 -1.593 -3.241 1391TIP3 H210483 0.470 -1.598 -3.389 1392TIP3 OH210484 -0.256 -1.577 -3.152 1392TIP3 H110485 -0.258 -1.652 -3.089 1392TIP3 H210486 -0.185 -1.523 -3.114 1393TIP3 OH210487 0.866 -1.262 -3.488 1393TIP3 H110488 0.827 -1.334 -3.436 1393TIP3 H210489 0.892 -1.201 -3.418 1394TIP3 OH210490 -0.191 -1.114 -3.305 1394TIP3 H110491 -0.214 -1.206 -3.329 1394TIP3 H210492 -0.099 -1.127 -3.279 1395TIP3 OH210493 -0.490 -1.774 -3.764 1395TIP3 H110494 -0.531 -1.687 -3.752 1395TIP3 H210495 -0.562 -1.824 -3.807 1396TIP3 OH210496 -0.411 -1.529 -3.579 1396TIP3 H110497 -0.396 -1.612 -3.530 1396TIP3 H210498 -0.326 -1.518 -3.625 1397TIP3 OH210499 0.571 -0.726 -3.432 1397TIP3 H110500 0.629 -0.799 -3.463 1397TIP3 H210501 0.543 -0.759 -3.346 1398TIP3 OH210502 0.345 -1.286 -3.264 1398TIP3 H110503 0.377 -1.358 -3.320 1398TIP3 H210504 0.426 -1.270 -3.211 1399TIP3 OH210505 1.207 -2.133 -3.205 1399TIP3 H110506 1.227 -2.082 -3.124 1399TIP3 H210507 1.275 -2.099 -3.266 1400TIP3 OH210508 0.675 -1.852 -3.213 1400TIP3 H110509 0.688 -1.948 -3.206 1400TIP3 H210510 0.665 -1.841 -3.309 1401TIP3 OH210511 -0.028 -2.052 -3.505 1401TIP3 H110512 -0.013 -1.966 -3.549 1401TIP3 H210513 -0.064 -2.103 -3.580 1402TIP3 OH210514 0.754 -2.036 -3.672 1402TIP3 H110515 0.815 -2.079 -3.608 1402TIP3 H210516 0.817 -1.991 -3.731 1403TIP3 OH210517 -0.359 -1.779 -3.454 1403TIP3 H110518 -0.296 -1.825 -3.397 1403TIP3 H210519 -0.350 -1.828 -3.537 1404TIP3 OH210520 0.178 -1.639 -3.508 1404TIP3 H110521 0.250 -1.694 -3.469 1404TIP3 H210522 0.129 -1.706 -3.559 1405TIP3 OH210523 1.255 -2.025 -2.957 1405TIP3 H110524 1.216 -1.936 -2.968 1405TIP3 H210525 1.294 -2.020 -2.869 1406TIP3 OH210526 -0.149 -2.174 -3.089 1406TIP3 H110527 -0.188 -2.122 -3.161 1406TIP3 H210528 -0.214 -2.158 -3.018 1407TIP3 OH210529 0.603 -1.195 -3.750 1407TIP3 H110530 0.570 -1.222 -3.836 1407TIP3 H210531 0.555 -1.112 -3.733 1408TIP3 OH210532 0.145 -1.384 -3.077 1408TIP3 H110533 0.071 -1.324 -3.052 1408TIP3 H210534 0.207 -1.322 -3.119 1409TIP3 OH210535 0.945 -2.112 -3.469 1409TIP3 H110536 0.899 -2.168 -3.405 1409TIP3 H210537 0.991 -2.050 -3.410 1410TIP3 OH210538 -0.188 -1.968 -3.295 1410TIP3 H110539 -0.124 -1.911 -3.248 1410TIP3 H210540 -0.131 -2.004 -3.365 1411TIP3 OH210541 -0.057 -1.195 -3.007 1411TIP3 H110542 -0.059 -1.101 -3.030 1411TIP3 H210543 -0.142 -1.204 -2.960 1412TIP3 OH210544 -0.426 -1.226 -3.919 1412TIP3 H110545 -0.446 -1.179 -4.003 1412TIP3 H210546 -0.409 -1.153 -3.856 1413TIP3 OH210547 0.921 -1.082 -3.238 1413TIP3 H110548 0.824 -1.071 -3.235 1413TIP3 H210549 0.948 -0.996 -3.275 1414TIP3 OH210550 0.951 -2.198 -3.087 1414TIP3 H110551 0.876 -2.156 -3.132 1414TIP3 H210552 1.026 -2.175 -3.146 1415TIP3 OH210553 0.265 -2.422 -3.382 1415TIP3 H110554 0.244 -2.517 -3.385 1415TIP3 H210555 0.184 -2.385 -3.343 1416TIP3 OH210556 0.750 -0.888 -3.581 1416TIP3 H110557 0.797 -0.967 -3.613 1416TIP3 H210558 0.818 -0.819 -3.593 1417TIP3 OH210559 0.895 -1.100 -3.720 1417TIP3 H110560 0.845 -1.148 -3.788 1417TIP3 H210561 0.891 -1.164 -3.646 1418TIP3 OH210562 1.050 -1.222 -2.871 1418TIP3 H110563 1.039 -1.285 -2.945 1418TIP3 H210564 1.061 -1.137 -2.918 1419TIP3 OH210565 0.481 -1.525 -3.901 1419TIP3 H110566 0.413 -1.471 -3.945 1419TIP3 H210567 0.550 -1.530 -3.970 1420TIP3 OH210568 0.526 -1.758 -4.155 1420TIP3 H110569 0.591 -1.688 -4.137 1420TIP3 H210570 0.521 -1.751 -4.252 1421TIP3 OH210571 1.228 -1.601 -3.078 1421TIP3 H110572 1.155 -1.536 -3.069 1421TIP3 H210573 1.276 -1.565 -3.155 1422TIP3 OH210574 0.830 -1.526 -3.793 1422TIP3 H110575 0.758 -1.507 -3.728 1422TIP3 H210576 0.884 -1.588 -3.742 1423TIP3 OH210577 0.812 -1.673 -2.909 1423TIP3 H110578 0.814 -1.590 -2.858 1423TIP3 H210579 0.746 -1.647 -2.976 1424TIP3 OH210580 -0.014 -1.452 -3.616 1424TIP3 H110581 -0.044 -1.496 -3.698 1424TIP3 H210582 0.052 -1.516 -3.582 1425TIP3 OH210583 0.124 -1.110 -3.343 1425TIP3 H110584 0.113 -1.152 -3.430 1425TIP3 H210585 0.203 -1.157 -3.309 1426TIP3 OH210586 0.045 -1.570 -3.267 1426TIP3 H110587 0.103 -1.568 -3.345 1426TIP3 H210588 0.086 -1.504 -3.208 1427TIP3 OH210589 0.642 -1.020 -3.209 1427TIP3 H110590 0.642 -0.952 -3.139 1427TIP3 H210591 0.617 -1.102 -3.162 1428TIP3 OH210592 0.130 -1.133 -2.781 1428TIP3 H110593 0.078 -1.064 -2.734 1428TIP3 H210594 0.067 -1.160 -2.850 1429TIP3 OH210595 0.733 -1.578 -4.056 1429TIP3 H110596 0.780 -1.555 -3.974 1429TIP3 H210597 0.791 -1.539 -4.124 1430TIP3 OH210598 -0.180 -1.487 -2.872 1430TIP3 H110599 -0.171 -1.444 -2.785 1430TIP3 H210600 -0.275 -1.510 -2.874 1431TIP3 OH210601 0.468 -0.923 -3.696 1431TIP3 H110602 0.517 -0.898 -3.617 1431TIP3 H210603 0.420 -0.841 -3.718 1432TIP3 OH210604 -0.049 -0.927 -2.688 1432TIP3 H110605 -0.062 -0.904 -2.781 1432TIP3 H210606 -0.139 -0.938 -2.654 1433TIP3 OH210607 1.079 -2.409 -4.058 1433TIP3 H110608 0.983 -2.399 -4.043 1433TIP3 H210609 1.101 -2.324 -4.098 1434TIP3 OH210610 -0.122 -1.577 -3.860 1434TIP3 H110611 -0.143 -1.503 -3.920 1434TIP3 H210612 -0.187 -1.643 -3.888 1435TIP3 OH210613 1.180 -0.984 -4.252 1435TIP3 H110614 1.213 -0.905 -4.205 1435TIP3 H210615 1.253 -1.047 -4.242 1436TIP3 OH210616 -0.515 -1.311 -2.990 1436TIP3 H110617 -0.559 -1.312 -3.077 1436TIP3 H210618 -0.501 -1.406 -2.973 1437TIP3 OH210619 -0.509 -1.016 -3.298 1437TIP3 H110620 -0.417 -1.047 -3.292 1437TIP3 H210621 -0.514 -0.958 -3.220 1438TIP3 OH210622 1.327 -0.957 -2.719 1438TIP3 H110623 1.317 -1.052 -2.737 1438TIP3 H210624 1.236 -0.934 -2.690 1439TIP3 OH210625 0.393 -1.026 -2.839 1439TIP3 H110626 0.401 -0.951 -2.777 1439TIP3 H210627 0.304 -1.059 -2.816 1440TIP3 OH210628 0.421 -0.653 -3.847 1440TIP3 H110629 0.425 -0.643 -3.944 1440TIP3 H210630 0.430 -0.562 -3.815 1441TIP3 OH210631 -0.199 -0.739 -3.680 1441TIP3 H110632 -0.179 -0.783 -3.594 1441TIP3 H210633 -0.283 -0.782 -3.702 1442TIP3 OH210634 0.747 -0.691 -4.135 1442TIP3 H110635 0.791 -0.749 -4.201 1442TIP3 H210636 0.750 -0.746 -4.055 1443TIP3 OH210637 0.696 -0.764 -3.860 1443TIP3 H110638 0.602 -0.751 -3.839 1443TIP3 H210639 0.719 -0.835 -3.798 1444TIP3 OH210640 1.006 -1.821 -2.678 1444TIP3 H110641 0.959 -1.782 -2.753 1444TIP3 H210642 1.007 -1.916 -2.704 1445TIP3 OH210643 -0.298 -1.158 -2.857 1445TIP3 H110644 -0.264 -1.210 -2.782 1445TIP3 H210645 -0.367 -1.215 -2.896 1446TIP3 OH210646 0.024 -2.310 -3.289 1446TIP3 H110647 -0.059 -2.315 -3.340 1446TIP3 H210648 0.003 -2.235 -3.230 1447TIP3 OH210649 0.461 -2.352 -2.925 1447TIP3 H110650 0.514 -2.403 -2.861 1447TIP3 H210651 0.370 -2.386 -2.911 1448TIP3 OH210652 0.771 -1.969 -2.878 1448TIP3 H110653 0.716 -1.987 -2.799 1448TIP3 H210654 0.769 -1.872 -2.886 1449TIP3 OH210655 0.961 -1.503 -4.261 1449TIP3 H110656 0.901 -1.515 -4.337 1449TIP3 H210657 0.992 -1.413 -4.277 1450TIP3 OH210658 0.447 -2.121 -4.217 1450TIP3 H110659 0.390 -2.100 -4.142 1450TIP3 H210660 0.394 -2.185 -4.265 1451TIP3 OH210661 0.008 -1.830 -3.150 1451TIP3 H110662 -0.044 -1.817 -3.069 1451TIP3 H210663 0.017 -1.739 -3.184 1452TIP3 OH210664 0.004 -1.822 -3.660 1452TIP3 H110665 -0.091 -1.832 -3.677 1452TIP3 H210666 0.040 -1.841 -3.750 1453TIP3 OH210667 0.572 -1.767 -3.786 1453TIP3 H110668 0.531 -1.686 -3.821 1453TIP3 H210669 0.632 -1.791 -3.859 1454TIP3 OH210670 0.486 -1.750 -2.652 1454TIP3 H110671 0.432 -1.822 -2.614 1454TIP3 H210672 0.572 -1.763 -2.608 1455TIP3 OH210673 0.650 -1.827 -3.506 1455TIP3 H110674 0.622 -1.769 -3.581 1455TIP3 H210675 0.671 -1.908 -3.556 1456TIP3 OH210676 -0.261 -1.811 -2.962 1456TIP3 H110677 -0.223 -1.785 -2.878 1456TIP3 H210678 -0.291 -1.902 -2.943 1457TIP3 OH210679 0.112 -2.081 -4.317 1457TIP3 H110680 0.081 -2.100 -4.226 1457TIP3 H210681 0.040 -2.023 -4.349 1458TIP3 OH210682 -0.572 -2.066 -3.600 1458TIP3 H110683 -0.510 -2.069 -3.525 1458TIP3 H210684 -0.521 -2.105 -3.673 1459TIP3 OH210685 -0.414 -2.024 -4.038 1459TIP3 H110686 -0.358 -1.975 -4.102 1459TIP3 H210687 -0.481 -1.957 -4.017 1460TIP3 OH210688 0.561 -1.658 -3.057 1460TIP3 H110689 0.604 -1.731 -3.108 1460TIP3 H210690 0.527 -1.707 -2.980 1461TIP3 OH210691 0.281 -2.065 -3.557 1461TIP3 H110692 0.186 -2.067 -3.534 1461TIP3 H210693 0.322 -2.082 -3.471 1462TIP3 OH210694 -0.263 -1.941 -3.689 1462TIP3 H110695 -0.344 -1.914 -3.736 1462TIP3 H210696 -0.233 -2.020 -3.739 1463TIP3 OH210697 0.098 -1.899 -3.921 1463TIP3 H110698 0.196 -1.898 -3.917 1463TIP3 H210699 0.079 -1.843 -3.999 1464TIP3 OH210700 0.719 -2.148 -3.257 1464TIP3 H110701 0.657 -2.148 -3.181 1464TIP3 H210702 0.660 -2.182 -3.327 1465TIP3 OH210703 -0.048 -1.786 -4.159 1465TIP3 H110704 -0.103 -1.840 -4.217 1465TIP3 H210705 0.032 -1.769 -4.212 1466TIP3 OH210706 1.023 -0.568 -2.584 1466TIP3 H110707 1.040 -0.527 -2.671 1466TIP3 H210708 1.100 -0.536 -2.533 1467TIP3 OH210709 -0.172 -1.306 -2.626 1467TIP3 H110710 -0.109 -1.288 -2.554 1467TIP3 H210711 -0.255 -1.312 -2.576 1468TIP3 OH210712 0.382 -1.809 -3.375 1468TIP3 H110713 0.456 -1.851 -3.421 1468TIP3 H210714 0.367 -1.870 -3.300 1469TIP3 OH210715 -0.087 -2.166 -3.762 1469TIP3 H110716 -0.140 -2.246 -3.747 1469TIP3 H210717 -0.004 -2.203 -3.796 1470TIP3 OH210718 0.279 -1.963 -3.150 1470TIP3 H110719 0.202 -1.904 -3.148 1470TIP3 H210720 0.328 -1.938 -3.070 1471TIP3 OH210721 0.290 -1.319 -3.962 1471TIP3 H110722 0.216 -1.374 -3.996 1471TIP3 H210723 0.275 -1.320 -3.864 1472TIP3 OH210724 1.017 -1.408 -3.086 1472TIP3 H110725 1.065 -1.355 -3.152 1472TIP3 H210726 0.931 -1.421 -3.131 1473TIP3 OH210727 0.707 -2.056 -4.175 1473TIP3 H110728 0.610 -2.051 -4.189 1473TIP3 H210729 0.727 -1.967 -4.138 1474TIP3 OH210730 0.453 -1.323 -2.824 1474TIP3 H110731 0.422 -1.355 -2.738 1474TIP3 H210732 0.422 -1.232 -2.823 1475TIP3 OH210733 0.771 -1.862 -3.978 1475TIP3 H110734 0.863 -1.874 -3.947 1475TIP3 H210735 0.777 -1.781 -4.032 1476TIP3 OH210736 -0.193 -1.385 -3.379 1476TIP3 H110737 -0.136 -1.396 -3.457 1476TIP3 H210738 -0.181 -1.470 -3.334 1477TIP3 OH210739 0.538 -1.189 -4.069 1477TIP3 H110740 0.508 -1.102 -4.036 1477TIP3 H210741 0.463 -1.246 -4.042 1478TIP3 OH210742 -0.467 -1.557 -2.850 1478TIP3 H110743 -0.451 -1.602 -2.764 1478TIP3 H210744 -0.526 -1.619 -2.895 1479TIP3 OH210745 0.230 -1.609 -2.653 1479TIP3 H110746 0.202 -1.632 -2.743 1479TIP3 H210747 0.325 -1.630 -2.658 1480TIP3 OH210748 0.685 -1.062 -2.875 1480TIP3 H110749 0.588 -1.053 -2.884 1480TIP3 H210750 0.697 -1.038 -2.781 1481TIP3 OH210751 1.244 -1.852 -3.999 1481TIP3 H110752 1.181 -1.870 -4.071 1481TIP3 H210753 1.255 -1.757 -4.016 1482TIP3 OH210754 1.282 -1.251 -2.722 1482TIP3 H110755 1.188 -1.235 -2.743 1482TIP3 H210756 1.317 -1.274 -2.810 1483TIP3 OH210757 1.068 -0.996 -3.990 1483TIP3 H110758 1.033 -1.071 -3.940 1483TIP3 H210759 1.096 -1.037 -4.073 1484TIP3 OH210760 0.782 -1.465 -3.256 1484TIP3 H110761 0.688 -1.480 -3.280 1484TIP3 H210762 0.825 -1.537 -3.306 1485TIP3 OH210763 0.045 -1.058 -3.654 1485TIP3 H110764 0.088 -0.971 -3.665 1485TIP3 H210765 -0.047 -1.037 -3.675 1486TIP3 OH210766 -0.348 -1.565 -4.201 1486TIP3 H110767 -0.292 -1.502 -4.153 1486TIP3 H210768 -0.437 -1.545 -4.166 1487TIP3 OH210769 0.229 -1.287 -3.688 1487TIP3 H110770 0.197 -1.196 -3.676 1487TIP3 H210771 0.158 -1.338 -3.646 1488TIP3 OH210772 0.244 -0.862 -3.056 1488TIP3 H110773 0.301 -0.787 -3.082 1488TIP3 H210774 0.304 -0.912 -2.998 1489TIP3 OH210775 0.089 -0.766 -3.736 1489TIP3 H110776 -0.006 -0.753 -3.724 1489TIP3 H210777 0.125 -0.680 -3.707 1490TIP3 OH210778 0.586 -1.286 -3.097 1490TIP3 H110779 0.556 -1.314 -3.009 1490TIP3 H210780 0.658 -1.347 -3.115 1491TIP3 OH210781 0.807 -1.154 -4.192 1491TIP3 H110782 0.849 -1.204 -4.120 1491TIP3 H210783 0.714 -1.166 -4.168 1492TIP3 OH210784 0.881 -0.828 -2.858 1492TIP3 H110785 0.805 -0.875 -2.896 1492TIP3 H210786 0.887 -0.749 -2.914 1493TIP3 OH210787 1.292 -0.713 -4.159 1493TIP3 H110788 1.361 -0.645 -4.145 1493TIP3 H210789 1.212 -0.662 -4.136 1494TIP3 OH210790 -0.335 -2.093 -2.892 1494TIP3 H110791 -0.426 -2.067 -2.915 1494TIP3 H210792 -0.350 -2.179 -2.849 1495TIP3 OH210793 0.901 -1.295 -3.968 1495TIP3 H110794 0.872 -1.367 -3.908 1495TIP3 H210795 0.998 -1.301 -3.958 1496TIP3 OH210796 -0.358 -0.919 -3.050 1496TIP3 H110797 -0.328 -1.009 -3.033 1496TIP3 H210798 -0.336 -0.877 -2.966 1497TIP3 OH210799 0.253 -1.053 -4.324 1497TIP3 H110800 0.295 -1.135 -4.359 1497TIP3 H210801 0.197 -1.089 -4.254 1498TIP3 OH210802 0.100 -1.100 -4.069 1498TIP3 H110803 0.159 -1.155 -4.016 1498TIP3 H210804 0.129 -1.009 -4.047 1499TIP3 OH210805 -0.210 -1.363 -4.040 1499TIP3 H110806 -0.281 -1.320 -3.988 1499TIP3 H210807 -0.157 -1.286 -4.065 1500TIP3 OH210808 0.562 -2.110 -3.037 1500TIP3 H110809 0.623 -2.080 -2.968 1500TIP3 H210810 0.514 -2.183 -2.994 1501TIP3 OH210811 0.621 -2.157 -3.919 1501TIP3 H110812 0.645 -2.110 -4.001 1501TIP3 H210813 0.672 -2.108 -3.853 1502TIP3 OH210814 0.402 -0.940 -4.027 1502TIP3 H110815 0.325 -0.887 -4.002 1502TIP3 H210816 0.454 -0.876 -4.077 1503TIP3 OH210817 0.364 -1.964 -3.815 1503TIP3 H110818 0.443 -1.908 -3.806 1503TIP3 H210819 0.338 -1.979 -3.722 1504TIP3 OH210820 0.403 -1.875 -2.901 1504TIP3 H110821 0.407 -1.823 -2.819 1504TIP3 H210822 0.457 -1.952 -2.877 1505TIP3 OH210823 0.429 -2.261 -3.725 1505TIP3 H110824 0.409 -2.192 -3.659 1505TIP3 H210825 0.501 -2.218 -3.776 1506TIP3 OH210826 0.120 -0.820 -4.025 1506TIP3 H110827 0.127 -0.733 -4.071 1506TIP3 H210828 0.110 -0.793 -3.932 1507TIP3 OH210829 0.000 -2.154 -4.078 1507TIP3 H110830 -0.006 -2.083 -4.013 1507TIP3 H210831 0.077 -2.204 -4.043 1508TIP3 OH210832 1.020 -2.073 -2.799 1508TIP3 H110833 0.928 -2.064 -2.832 1508TIP3 H210834 1.065 -2.092 -2.883 1509TIP3 OH210835 0.882 -1.689 -3.409 1509TIP3 H110836 0.799 -1.734 -3.435 1509TIP3 H210837 0.930 -1.760 -3.361 1510TIP3 OH210838 -0.167 -1.064 -4.159 1510TIP3 H110839 -0.085 -1.038 -4.113 1510TIP3 H210840 -0.127 -1.119 -4.229 1511TIP3 OH210841 -0.343 -1.848 -4.254 1511TIP3 H110842 -0.327 -1.753 -4.239 1511TIP3 H210843 -0.434 -1.849 -4.288 1512TIP3 OH210844 0.984 -0.804 -3.271 1512TIP3 H110845 0.967 -0.721 -3.320 1512TIP3 H210846 1.076 -0.789 -3.244 1513TIP3 OH210847 -0.254 -2.353 -3.371 1513TIP3 H110848 -0.273 -2.354 -3.467 1513TIP3 H210849 -0.290 -2.438 -3.341 1514TIP3 OH210850 -0.368 -1.001 -3.747 1514TIP3 H110851 -0.446 -0.948 -3.725 1514TIP3 H210852 -0.327 -0.950 -3.818 1515TIP3 OH210853 -0.425 -0.716 -2.628 1515TIP3 H110854 -0.368 -0.751 -2.559 1515TIP3 H210855 -0.466 -0.799 -2.660 1516TIP3 OH210856 0.465 -0.871 -4.332 1516TIP3 H110857 0.386 -0.928 -4.325 1516TIP3 H210858 0.532 -0.939 -4.350 1517TIP3 OH210859 0.688 -0.979 -2.597 1517TIP3 H110860 0.637 -1.047 -2.549 1517TIP3 H210861 0.746 -0.946 -2.526 1518TIP3 OH210862 0.852 -0.895 -4.288 1518TIP3 H110863 0.869 -0.980 -4.246 1518TIP3 H210864 0.939 -0.864 -4.317 1519TIP3 OH210865 -0.426 -1.342 -2.515 1519TIP3 H110866 -0.418 -1.435 -2.541 1519TIP3 H210867 -0.505 -1.316 -2.566 1520TIP3 OH210868 -0.004 -1.287 -4.306 1520TIP3 H110869 0.005 -1.362 -4.246 1520TIP3 H210870 0.057 -1.311 -4.377 1521TIP3 OH210871 0.246 -1.320 -2.579 1521TIP3 H110872 0.189 -1.294 -2.652 1521TIP3 H210873 0.235 -1.417 -2.578 1522TIP3 OH210874 0.533 -1.183 -4.346 1522TIP3 H110875 0.539 -1.184 -4.249 1522TIP3 H210876 0.589 -1.257 -4.373 1523TIP3 OH210877 0.770 -1.368 -2.843 1523TIP3 H110878 0.847 -1.313 -2.862 1523TIP3 H210879 0.699 -1.302 -2.842 1524TIP3 OH210880 -0.343 -1.630 -2.596 1524TIP3 H110881 -0.272 -1.697 -2.597 1524TIP3 H210882 -0.347 -1.613 -2.501 1525TIP3 OH210883 0.098 -1.500 -4.089 1525TIP3 H110884 0.039 -1.549 -4.030 1525TIP3 H210885 0.135 -1.571 -4.143 1526TIP3 OH210886 0.017 -1.724 -2.863 1526TIP3 H110887 -0.027 -1.644 -2.830 1526TIP3 H210888 0.088 -1.686 -2.918 1527TIP3 OH210889 0.196 -1.702 -4.267 1527TIP3 H110890 0.203 -1.712 -4.363 1527TIP3 H210891 0.292 -1.689 -4.252 1528TIP3 OH210892 0.541 -1.467 -2.506 1528TIP3 H110893 0.631 -1.478 -2.539 1528TIP3 H210894 0.525 -1.549 -2.458 1529TIP3 OH210895 0.081 -1.993 -2.743 1529TIP3 H110896 0.089 -2.059 -2.814 1529TIP3 H210897 0.060 -1.913 -2.793 1530TIP3 OH210898 0.114 -2.147 -2.998 1530TIP3 H110899 0.167 -2.094 -3.061 1530TIP3 H210900 0.024 -2.142 -3.034 1531TIP3 OH210901 0.267 -1.603 -2.957 1531TIP3 H110902 0.351 -1.612 -3.003 1531TIP3 H210903 0.238 -1.515 -2.986 1532TIP3 OH210904 0.732 -1.806 -2.469 1532TIP3 H110905 0.749 -1.901 -2.468 1532TIP3 H210906 0.820 -1.771 -2.489 1533TIP3 OH210907 0.824 -1.528 -2.624 1533TIP3 H110908 0.791 -1.468 -2.694 1533TIP3 H210909 0.914 -1.546 -2.659 1534TIP3 OH210910 -0.101 -1.806 -2.567 1534TIP3 H110911 -0.153 -1.888 -2.560 1534TIP3 H210912 -0.018 -1.837 -2.605 1535TIP3 OH210913 0.185 -2.414 -2.961 1535TIP3 H110914 0.170 -2.319 -2.977 1535TIP3 H210915 0.116 -2.455 -3.015 1536TIP3 OH210916 0.312 -1.957 -2.581 1536TIP3 H110917 0.276 -1.979 -2.493 1536TIP3 H210918 0.233 -1.975 -2.636 1537TIP3 OH210919 0.567 -2.053 -2.695 1537TIP3 H110920 0.479 -2.049 -2.654 1537TIP3 H210921 0.613 -2.116 -2.638 1538TIP3 OH210922 0.746 -2.202 -2.524 1538TIP3 H110923 0.737 -2.298 -2.509 1538TIP3 H210924 0.734 -2.164 -2.435 1539TIP3 OH210925 -0.233 -2.063 -2.577 1539TIP3 H110926 -0.239 -2.133 -2.643 1539TIP3 H210927 -0.254 -2.111 -2.495 1540TIP3 OH210928 0.169 -2.466 -2.680 1540TIP3 H110929 0.231 -2.541 -2.674 1540TIP3 H210930 0.168 -2.450 -2.776 1541TIP3 OH210931 0.264 -2.279 -2.494 1541TIP3 H110932 0.234 -2.337 -2.567 1541TIP3 H210933 0.196 -2.210 -2.492 1542TIP3 OH210934 0.177 -0.572 -4.171 1542TIP3 H110935 0.273 -0.561 -4.161 1542TIP3 H210936 0.156 -0.512 -4.245 1543TIP3 OH210937 -0.441 -1.161 -4.203 1543TIP3 H110938 -0.348 -1.132 -4.196 1543TIP3 H210939 -0.436 -1.227 -4.274 1544TIP3 OH210940 -0.535 -0.616 -3.720 1544TIP3 H110941 -0.607 -0.652 -3.775 1544TIP3 H210942 -0.528 -0.683 -3.649 1545TIP3 OH210943 -0.498 -0.813 -3.520 1545TIP3 H110944 -0.528 -0.900 -3.489 1545TIP3 H210945 -0.463 -0.778 -3.437 1546TIP3 OH210946 1.256 -0.686 -3.220 1546TIP3 H110947 1.271 -0.688 -3.124 1546TIP3 H210948 1.342 -0.657 -3.252 1547TIP3 OH210949 1.245 -0.742 -2.932 1547TIP3 H110950 1.194 -0.818 -2.967 1547TIP3 H210951 1.301 -0.787 -2.867 1548TIP3 OH210952 1.046 -1.200 -2.495 1548TIP3 H110953 0.958 -1.191 -2.453 1548TIP3 H210954 1.089 -1.116 -2.472 1549TIP3 OH210955 1.185 -1.315 -3.931 1549TIP3 H110956 1.275 -1.280 -3.918 1549TIP3 H210957 1.181 -1.380 -3.858 1550TIP3 OH210958 1.229 -1.519 -3.735 1550TIP3 H110959 1.159 -1.572 -3.693 1550TIP3 H210960 1.292 -1.504 -3.661 1551TIP3 OH210961 1.204 -1.266 -3.235 1551TIP3 H110962 1.270 -1.311 -3.290 1551TIP3 H210963 1.214 -1.174 -3.265 1552TIP3 OH210964 1.075 -0.972 -3.009 1552TIP3 H110965 1.002 -0.931 -2.959 1552TIP3 H210966 1.028 -1.008 -3.087 1553TIP3 OH210967 1.262 -1.546 -4.107 1553TIP3 H110968 1.198 -1.523 -4.176 1553TIP3 H210969 1.240 -1.480 -4.040 1554TIP3 OH210970 1.083 -1.810 -4.213 1554TIP3 H110971 1.107 -1.734 -4.269 1554TIP3 H210972 1.114 -1.884 -4.266 1555TIP3 OH210973 1.029 -1.701 -3.648 1555TIP3 H110974 1.015 -1.795 -3.668 1555TIP3 H210975 0.986 -1.692 -3.560 1556TIP3 OH210976 -0.491 -1.479 -3.280 1556TIP3 H110977 -0.465 -1.474 -3.373 1556TIP3 H210978 -0.404 -1.500 -3.239 1557TIP3 OH210979 1.098 -1.516 -2.714 1557TIP3 H110980 1.173 -1.577 -2.723 1557TIP3 H210981 1.134 -1.435 -2.750 1558TIP3 OH210982 1.265 -1.748 -2.608 1558TIP3 H110983 1.180 -1.781 -2.644 1558TIP3 H210984 1.330 -1.807 -2.648 1559TIP3 OH210985 1.007 -2.156 -4.340 1559TIP3 H110986 1.057 -2.139 -4.260 1559TIP3 H210987 0.914 -2.160 -4.311 1560TIP3 OH210988 1.008 -1.945 -3.832 1560TIP3 H110989 1.031 -2.041 -3.828 1560TIP3 H210990 1.089 -1.909 -3.873 1561TIP3 OH210991 1.035 -1.888 -3.288 1561TIP3 H110992 1.132 -1.879 -3.288 1561TIP3 H210993 1.018 -1.890 -3.192 1562TIP3 OH210994 1.050 -1.818 -3.002 1562TIP3 H110995 0.964 -1.778 -2.980 1562TIP3 H210996 1.104 -1.740 -3.027 1563TIP3 OH210997 -0.500 -1.944 -2.645 1563TIP3 H110998 -0.406 -1.967 -2.633 1563TIP3 H210999 -0.543 -2.030 -2.632 1564TIP3 OH211000 1.297 -2.396 -2.488 1564TIP3 H111001 1.343 -2.463 -2.541 1564TIP3 H211002 1.310 -2.315 -2.541 1565TIP3 OH211003 1.057 -2.219 -3.826 1565TIP3 H111004 1.066 -2.260 -3.738 1565TIP3 H211005 0.983 -2.271 -3.863 1566TIP3 OH211006 -0.423 -2.110 -3.359 1566TIP3 H111007 -0.376 -2.195 -3.352 1566TIP3 H211008 -0.354 -2.049 -3.325 1567TIP3 OH211009 -0.569 -1.842 -3.255 1567TIP3 H111010 -0.510 -1.846 -3.333 1567TIP3 H211011 -0.531 -1.766 -3.209 1568TIP3 OH211012 1.266 -2.176 -2.646 1568TIP3 H111013 1.177 -2.138 -2.646 1568TIP3 H211014 1.267 -2.224 -2.730 1569TIP3 OH211015 1.262 -2.183 -4.171 1569TIP3 H111016 1.281 -2.253 -4.234 1569TIP3 H211017 1.344 -2.132 -4.172 1570TIP3 OH211018 -0.519 -2.208 -3.852 1570TIP3 H111019 -0.614 -2.206 -3.872 1570TIP3 H211020 -0.481 -2.148 -3.920 1571TIP3 OH211021 0.942 -0.683 -3.642 1571TIP3 H111022 0.992 -0.710 -3.721 1571TIP3 H211023 1.012 -0.645 -3.586 1572TIP3 OH211024 -0.515 -2.321 -3.035 1572TIP3 H111025 -0.585 -2.346 -2.974 1572TIP3 H211026 -0.564 -2.267 -3.100 1573TIP3 OH211027 -0.314 -0.996 -2.560 1573TIP3 H111028 -0.375 -1.015 -2.633 1573TIP3 H211029 -0.365 -1.026 -2.483 1574TIP3 OH211030 -0.032 -0.911 -2.993 1574TIP3 H111031 -0.062 -0.826 -3.029 1574TIP3 H211032 0.064 -0.903 -3.011 1575TIP3 OH211033 0.422 -0.790 -2.668 1575TIP3 H111034 0.443 -0.814 -2.577 1575TIP3 H211035 0.503 -0.745 -2.696 1576TIP3 OH211036 0.643 -0.642 -2.768 1576TIP3 H111037 0.711 -0.707 -2.791 1576TIP3 H211038 0.674 -0.611 -2.681 1577TIP3 OH211039 1.134 -2.375 -2.849 1577TIP3 H111040 1.056 -2.352 -2.901 1577TIP3 H211041 1.158 -2.463 -2.884 1578TIP3 OH211042 -0.295 -0.619 -2.968 1578TIP3 H111043 -0.354 -0.553 -3.010 1578TIP3 H211044 -0.324 -0.610 -2.876 1579TIP3 OH211045 -0.046 -0.643 -3.112 1579TIP3 H111046 -0.130 -0.623 -3.068 1579TIP3 H211047 -0.041 -0.572 -3.179 1580TIP3 OH211048 0.431 -0.640 -3.156 1580TIP3 H111049 0.392 -0.594 -3.232 1580TIP3 H211050 0.437 -0.567 -3.091 1581TIP3 OH211051 0.664 -0.768 -3.064 1581TIP3 H111052 0.579 -0.733 -3.096 1581TIP3 H211053 0.719 -0.688 -3.065 1582TIP3 OH211054 0.917 -0.594 -3.044 1582TIP3 H111055 0.911 -0.499 -3.067 1582TIP3 H211056 0.944 -0.632 -3.130 1583TIP3 OH211057 -0.337 -0.738 -3.273 1583TIP3 H111058 -0.338 -0.785 -3.186 1583TIP3 H211059 -0.260 -0.781 -3.314 1584TIP3 OH211060 -0.133 -0.862 -3.430 1584TIP3 H111061 -0.149 -0.954 -3.402 1584TIP3 H211062 -0.043 -0.847 -3.396 1585TIP3 OH211063 0.141 -0.816 -3.340 1585TIP3 H111064 0.160 -0.910 -3.361 1585TIP3 H211065 0.149 -0.818 -3.243 1586TIP3 OH211066 0.475 -2.227 -3.408 1586TIP3 H111067 0.405 -2.295 -3.395 1586TIP3 H211068 0.535 -2.272 -3.470 1587TIP3 OH211069 0.970 -2.427 -3.364 1587TIP3 H111070 1.045 -2.380 -3.403 1587TIP3 H211071 0.895 -2.394 -3.417 1588TIP3 OH211072 1.179 -2.316 -3.575 1588TIP3 H111073 1.249 -2.356 -3.629 1588TIP3 H211074 1.206 -2.224 -3.567 1589TIP3 OH211075 -0.290 -2.355 -3.652 1589TIP3 H111076 -0.376 -2.367 -3.697 1589TIP3 H211077 -0.248 -2.441 -3.669 1590TIP3 OH211078 -0.410 -2.399 -4.081 1590TIP3 H111079 -0.351 -2.335 -4.126 1590TIP3 H211080 -0.444 -2.345 -4.007 1591TIP3 OH211081 0.157 -2.376 -3.664 1591TIP3 H111082 0.245 -2.340 -3.681 1591TIP3 H211083 0.157 -2.382 -3.568 1592TIP3 OH211084 0.718 -2.368 -3.523 1592TIP3 H111085 0.741 -2.381 -3.616 1592TIP3 H211086 0.679 -2.454 -3.500 1593TIP3 OH211087 0.826 -2.361 -3.914 1593TIP3 H111088 0.747 -2.312 -3.944 1593TIP3 H211089 0.794 -2.452 -3.924 1594TIP3 OH211090 -0.403 -0.810 -3.966 1594TIP3 H111091 -0.475 -0.811 -4.032 1594TIP3 H211092 -0.404 -0.717 -3.940 1595TIP3 OH211093 -0.243 -2.230 -4.228 1595TIP3 H111094 -0.186 -2.284 -4.284 1595TIP3 H211095 -0.178 -2.177 -4.180 1596TIP3 OH211096 0.263 -2.211 -3.955 1596TIP3 H111097 0.309 -2.262 -3.887 1596TIP3 H211098 0.294 -2.122 -3.931 1597TIP3 OH211099 0.473 -0.645 -4.148 1597TIP3 H111100 0.571 -0.634 -4.150 1597TIP3 H211101 0.464 -0.709 -4.221 1598TIP3 OH211102 1.137 -0.727 -3.884 1598TIP3 H111103 1.108 -0.811 -3.925 1598TIP3 H211104 1.114 -0.662 -3.953 1599TIP3 OH211105 -0.311 -2.333 -2.702 1599TIP3 H111106 -0.350 -2.414 -2.664 1599TIP3 H211107 -0.218 -2.343 -2.674 1600TIP3 OH211108 -0.073 -2.394 -2.529 1600TIP3 H111109 0.010 -2.427 -2.568 1600TIP3 H211110 -0.105 -2.474 -2.485 1601TIP3 OH211111 -0.204 -0.702 -4.231 1601TIP3 H111112 -0.243 -0.681 -4.146 1601TIP3 H211113 -0.137 -0.768 -4.209 1602TIP3 OH211114 0.741 -2.482 -2.510 1602TIP3 H111115 0.744 -2.524 -2.422 1602TIP3 H211116 0.835 -2.486 -2.536 1603TIP3 OH211117 1.074 -0.851 -2.638 1603TIP3 H111118 1.001 -0.869 -2.700 1603TIP3 H211119 1.059 -0.757 -2.619 1604TIP3 OH211120 2.494 -1.482 -3.627 1604TIP3 H111121 2.496 -1.385 -3.619 1604TIP3 H211122 2.422 -1.493 -3.691 1605TIP3 OH211123 2.380 -1.534 -3.320 1605TIP3 H111124 2.385 -1.588 -3.239 1605TIP3 H211125 2.361 -1.601 -3.387 1606TIP3 OH211126 1.633 -1.596 -3.152 1606TIP3 H111127 1.622 -1.672 -3.088 1606TIP3 H211128 1.690 -1.540 -3.097 1607TIP3 OH211129 2.750 -1.252 -3.478 1607TIP3 H111130 2.719 -1.326 -3.425 1607TIP3 H211131 2.783 -1.192 -3.410 1608TIP3 OH211132 1.696 -1.118 -3.311 1608TIP3 H111133 1.669 -1.208 -3.334 1608TIP3 H211134 1.786 -1.132 -3.278 1609TIP3 OH211135 1.404 -1.767 -3.758 1609TIP3 H111136 1.350 -1.686 -3.753 1609TIP3 H211137 1.340 -1.829 -3.796 1610TIP3 OH211138 1.455 -1.528 -3.568 1610TIP3 H111139 1.484 -1.611 -3.526 1610TIP3 H211140 1.537 -1.493 -3.606 1611TIP3 OH211141 2.455 -0.727 -3.432 1611TIP3 H111142 2.513 -0.798 -3.464 1611TIP3 H211143 2.429 -0.760 -3.345 1612TIP3 OH211144 2.233 -1.287 -3.265 1612TIP3 H111145 2.270 -1.359 -3.319 1612TIP3 H211146 2.312 -1.268 -3.211 1613TIP3 OH211147 3.075 -2.143 -3.184 1613TIP3 H111148 3.116 -2.080 -3.123 1613TIP3 H211149 3.128 -2.128 -3.264 1614TIP3 OH211150 2.563 -1.853 -3.213 1614TIP3 H111151 2.572 -1.949 -3.206 1614TIP3 H211152 2.552 -1.841 -3.309 1615TIP3 OH211153 1.861 -2.038 -3.515 1615TIP3 H111154 1.855 -1.964 -3.576 1615TIP3 H211155 1.831 -2.109 -3.575 1616TIP3 OH211156 2.641 -2.034 -3.673 1616TIP3 H111157 2.699 -2.078 -3.607 1616TIP3 H211158 2.707 -1.992 -3.730 1617TIP3 OH211159 1.560 -1.770 -3.474 1617TIP3 H111160 1.593 -1.824 -3.399 1617TIP3 H211161 1.516 -1.837 -3.529 1618TIP3 OH211162 2.018 -1.665 -3.543 1618TIP3 H111163 2.108 -1.670 -3.506 1618TIP3 H211164 2.001 -1.758 -3.552 1619TIP3 OH211165 3.120 -2.015 -2.928 1619TIP3 H111166 3.115 -1.926 -2.968 1619TIP3 H211167 3.168 -1.997 -2.845 1620TIP3 OH211168 1.719 -2.161 -3.067 1620TIP3 H111169 1.681 -2.110 -3.140 1620TIP3 H211170 1.657 -2.139 -2.996 1621TIP3 OH211171 2.477 -1.203 -3.748 1621TIP3 H111172 2.462 -1.215 -3.842 1621TIP3 H211173 2.443 -1.113 -3.732 1622TIP3 OH211174 2.029 -1.385 -3.079 1622TIP3 H111175 1.956 -1.326 -3.050 1622TIP3 H211176 2.092 -1.321 -3.118 1623TIP3 OH211177 2.823 -2.109 -3.469 1623TIP3 H111178 2.791 -2.172 -3.403 1623TIP3 H211179 2.878 -2.050 -3.415 1624TIP3 OH211180 1.695 -1.967 -3.300 1624TIP3 H111181 1.754 -1.916 -3.240 1624TIP3 H211182 1.760 -2.004 -3.363 1625TIP3 OH211183 1.828 -1.197 -3.011 1625TIP3 H111184 1.825 -1.101 -3.030 1625TIP3 H211185 1.745 -1.208 -2.962 1626TIP3 OH211186 1.460 -1.228 -3.918 1626TIP3 H111187 1.444 -1.189 -4.006 1626TIP3 H211188 1.475 -1.151 -3.861 1627TIP3 OH211189 2.811 -1.089 -3.219 1627TIP3 H111190 2.717 -1.065 -3.222 1627TIP3 H211191 2.853 -1.003 -3.239 1628TIP3 OH211192 2.148 -2.421 -3.380 1628TIP3 H111193 2.126 -2.516 -3.383 1628TIP3 H211194 2.068 -2.383 -3.339 1629TIP3 OH211195 2.635 -0.886 -3.584 1629TIP3 H111196 2.683 -0.967 -3.613 1629TIP3 H211197 2.704 -0.819 -3.593 1630TIP3 OH211198 2.777 -1.098 -3.717 1630TIP3 H111199 2.737 -1.151 -3.788 1630TIP3 H211200 2.777 -1.161 -3.643 1631TIP3 OH211201 2.365 -1.530 -3.904 1631TIP3 H111202 2.299 -1.470 -3.942 1631TIP3 H211203 2.438 -1.522 -3.968 1632TIP3 OH211204 2.382 -1.708 -4.205 1632TIP3 H111205 2.451 -1.675 -4.144 1632TIP3 H211206 2.435 -1.768 -4.261 1633TIP3 OH211207 3.099 -1.602 -3.075 1633TIP3 H111208 3.034 -1.529 -3.065 1633TIP3 H211209 3.151 -1.568 -3.150 1634TIP3 OH211210 2.711 -1.531 -3.794 1634TIP3 H111211 2.645 -1.510 -3.725 1634TIP3 H211212 2.774 -1.585 -3.743 1635TIP3 OH211213 2.702 -1.701 -2.901 1635TIP3 H111214 2.686 -1.637 -2.830 1635TIP3 H211215 2.635 -1.673 -2.966 1636TIP3 OH211216 2.005 -1.118 -3.342 1636TIP3 H111217 2.008 -1.146 -3.434 1636TIP3 H211218 2.087 -1.157 -3.306 1637TIP3 OH211219 1.927 -1.556 -3.277 1637TIP3 H111220 2.000 -1.563 -3.341 1637TIP3 H211221 1.967 -1.507 -3.203 1638TIP3 OH211222 2.522 -1.018 -3.211 1638TIP3 H111223 2.530 -0.950 -3.142 1638TIP3 H211224 2.507 -1.101 -3.161 1639TIP3 OH211225 2.016 -1.138 -2.786 1639TIP3 H111226 1.966 -1.073 -2.732 1639TIP3 H211227 1.949 -1.165 -2.851 1640TIP3 OH211228 2.620 -1.582 -4.057 1640TIP3 H111229 2.663 -1.557 -3.973 1640TIP3 H211230 2.681 -1.541 -4.122 1641TIP3 OH211231 1.698 -1.479 -2.887 1641TIP3 H111232 1.710 -1.444 -2.798 1641TIP3 H211233 1.616 -1.530 -2.878 1642TIP3 OH211234 2.350 -0.925 -3.693 1642TIP3 H111235 2.405 -0.898 -3.619 1642TIP3 H211236 2.307 -0.842 -3.720 1643TIP3 OH211237 1.825 -0.920 -2.701 1643TIP3 H111238 1.812 -0.919 -2.798 1643TIP3 H211239 1.737 -0.948 -2.668 1644TIP3 OH211240 2.957 -2.411 -4.042 1644TIP3 H111241 2.862 -2.395 -4.025 1644TIP3 H211242 2.977 -2.340 -4.104 1645TIP3 OH211243 3.066 -0.987 -4.247 1645TIP3 H111244 3.100 -0.905 -4.207 1645TIP3 H211245 3.143 -1.047 -4.243 1646TIP3 OH211246 1.371 -1.306 -2.992 1646TIP3 H111247 1.325 -1.310 -3.078 1646TIP3 H211248 1.382 -1.400 -2.970 1647TIP3 OH211249 1.377 -1.017 -3.298 1647TIP3 H111250 1.469 -1.045 -3.289 1647TIP3 H211251 1.368 -0.957 -3.222 1648TIP3 OH211252 2.278 -1.033 -2.841 1648TIP3 H111253 2.287 -0.952 -2.788 1648TIP3 H211254 2.189 -1.064 -2.816 1649TIP3 OH211255 2.309 -0.654 -3.847 1649TIP3 H111256 2.310 -0.643 -3.943 1649TIP3 H211257 2.314 -0.563 -3.814 1650TIP3 OH211258 1.687 -0.740 -3.681 1650TIP3 H111259 1.705 -0.784 -3.595 1650TIP3 H211260 1.602 -0.779 -3.704 1651TIP3 OH211261 2.633 -0.691 -4.135 1651TIP3 H111262 2.678 -0.749 -4.201 1651TIP3 H211263 2.636 -0.747 -4.056 1652TIP3 OH211264 2.582 -0.766 -3.862 1652TIP3 H111265 2.489 -0.749 -3.839 1652TIP3 H211266 2.605 -0.833 -3.796 1653TIP3 OH211267 2.897 -1.824 -2.683 1653TIP3 H111268 2.827 -1.792 -2.743 1653TIP3 H211269 2.904 -1.917 -2.704 1654TIP3 OH211270 1.589 -1.154 -2.865 1654TIP3 H111271 1.618 -1.201 -2.785 1654TIP3 H211272 1.518 -1.211 -2.899 1655TIP3 OH211273 1.904 -2.296 -3.286 1655TIP3 H111274 1.819 -2.309 -3.332 1655TIP3 H211275 1.879 -2.230 -3.220 1656TIP3 OH211276 2.348 -2.348 -2.929 1656TIP3 H111277 2.399 -2.398 -2.862 1656TIP3 H211278 2.257 -2.377 -2.913 1657TIP3 OH211279 2.839 -1.503 -4.249 1657TIP3 H111280 2.799 -1.521 -4.336 1657TIP3 H211281 2.874 -1.414 -4.266 1658TIP3 OH211282 2.329 -2.112 -4.216 1658TIP3 H111283 2.274 -2.108 -4.137 1658TIP3 H211284 2.284 -2.181 -4.267 1659TIP3 OH211285 1.881 -1.835 -3.137 1659TIP3 H111286 1.819 -1.833 -3.061 1659TIP3 H211287 1.880 -1.742 -3.166 1660TIP3 OH211288 2.454 -1.769 -3.787 1660TIP3 H111289 2.416 -1.685 -3.820 1660TIP3 H211290 2.522 -1.787 -3.855 1661TIP3 OH211291 2.369 -1.745 -2.649 1661TIP3 H111292 2.318 -1.820 -2.612 1661TIP3 H211293 2.456 -1.758 -2.606 1662TIP3 OH211294 2.528 -1.827 -3.504 1662TIP3 H111295 2.505 -1.769 -3.580 1662TIP3 H211296 2.553 -1.908 -3.553 1663TIP3 OH211297 2.003 -2.073 -4.315 1663TIP3 H111298 1.968 -2.098 -4.227 1663TIP3 H211299 1.928 -2.021 -4.350 1664TIP3 OH211300 1.342 -2.043 -3.607 1664TIP3 H111301 1.381 -2.077 -3.524 1664TIP3 H211302 1.366 -2.109 -3.674 1665TIP3 OH211303 1.474 -2.021 -4.037 1665TIP3 H111304 1.526 -1.972 -4.104 1665TIP3 H211305 1.403 -1.958 -4.019 1666TIP3 OH211306 2.444 -1.657 -3.061 1666TIP3 H111307 2.488 -1.730 -3.109 1666TIP3 H211308 2.410 -1.704 -2.983 1667TIP3 OH211309 2.167 -2.062 -3.556 1667TIP3 H111310 2.073 -2.072 -3.532 1667TIP3 H211311 2.211 -2.084 -3.472 1668TIP3 OH211312 1.660 -1.903 -3.711 1668TIP3 H111313 1.565 -1.899 -3.734 1668TIP3 H211314 1.684 -1.993 -3.743 1669TIP3 OH211315 1.965 -1.857 -3.887 1669TIP3 H111316 2.057 -1.889 -3.891 1669TIP3 H211317 1.942 -1.844 -3.981 1670TIP3 OH211318 2.620 -2.164 -3.248 1670TIP3 H111319 2.559 -2.154 -3.172 1670TIP3 H211320 2.559 -2.191 -3.319 1671TIP3 OH211321 1.854 -1.802 -4.149 1671TIP3 H111322 1.784 -1.839 -4.206 1671TIP3 H211323 1.920 -1.772 -4.213 1672TIP3 OH211324 2.905 -0.592 -2.589 1672TIP3 H111325 2.932 -0.555 -2.674 1672TIP3 H211326 2.972 -0.556 -2.529 1673TIP3 OH211327 1.697 -1.304 -2.645 1673TIP3 H111328 1.765 -1.299 -2.575 1673TIP3 H211329 1.617 -1.313 -2.590 1674TIP3 OH211330 2.252 -1.796 -3.388 1674TIP3 H111331 2.329 -1.838 -3.430 1674TIP3 H211332 2.239 -1.852 -3.309 1675TIP3 OH211333 1.798 -2.164 -3.757 1675TIP3 H111334 1.738 -2.240 -3.744 1675TIP3 H211335 1.878 -2.208 -3.791 1676TIP3 OH211336 2.169 -1.952 -3.153 1676TIP3 H111337 2.085 -1.903 -3.145 1676TIP3 H211338 2.213 -1.930 -3.068 1677TIP3 OH211339 2.176 -1.324 -3.957 1677TIP3 H111340 2.102 -1.375 -3.995 1677TIP3 H211341 2.158 -1.328 -3.861 1678TIP3 OH211342 2.906 -1.397 -3.073 1678TIP3 H111343 2.957 -1.338 -3.133 1678TIP3 H211344 2.823 -1.406 -3.123 1679TIP3 OH211345 2.596 -2.048 -4.183 1679TIP3 H111346 2.498 -2.048 -4.187 1679TIP3 H211347 2.618 -1.971 -4.127 1680TIP3 OH211348 2.349 -1.323 -2.829 1680TIP3 H111349 2.319 -1.358 -2.744 1680TIP3 H211350 2.316 -1.232 -2.827 1681TIP3 OH211351 2.656 -1.862 -3.988 1681TIP3 H111352 2.743 -1.880 -3.946 1681TIP3 H211353 2.672 -1.775 -4.030 1682TIP3 OH211354 1.712 -1.424 -3.425 1682TIP3 H111355 1.804 -1.397 -3.434 1682TIP3 H211356 1.718 -1.482 -3.347 1683TIP3 OH211357 2.424 -1.189 -4.067 1683TIP3 H111358 2.394 -1.101 -4.038 1683TIP3 H211359 2.346 -1.243 -4.041 1684TIP3 OH211360 1.396 -1.547 -2.836 1684TIP3 H111361 1.443 -1.596 -2.765 1684TIP3 H211362 1.371 -1.618 -2.897 1685TIP3 OH211363 2.117 -1.601 -2.652 1685TIP3 H111364 2.068 -1.638 -2.728 1685TIP3 H211365 2.207 -1.636 -2.668 1686TIP3 OH211366 2.579 -1.059 -2.871 1686TIP3 H111367 2.485 -1.053 -2.896 1686TIP3 H211368 2.573 -1.033 -2.776 1687TIP3 OH211369 3.126 -1.850 -3.998 1687TIP3 H111370 3.065 -1.871 -4.071 1687TIP3 H211371 3.139 -1.755 -4.017 1688TIP3 OH211372 2.946 -0.997 -3.991 1688TIP3 H111373 2.925 -1.076 -3.940 1688TIP3 H211374 2.985 -1.034 -4.072 1689TIP3 OH211375 2.674 -1.466 -3.244 1689TIP3 H111376 2.582 -1.480 -3.272 1689TIP3 H211377 2.720 -1.534 -3.297 1690TIP3 OH211378 1.929 -1.061 -3.653 1690TIP3 H111379 1.976 -0.977 -3.664 1690TIP3 H211380 1.839 -1.035 -3.675 1691TIP3 OH211381 1.543 -1.556 -4.197 1691TIP3 H111382 1.596 -1.499 -4.137 1691TIP3 H211383 1.452 -1.538 -4.167 1692TIP3 OH211384 2.091 -1.308 -3.684 1692TIP3 H111385 2.076 -1.212 -3.674 1692TIP3 H211386 2.012 -1.344 -3.643 1693TIP3 OH211387 2.131 -0.862 -3.056 1693TIP3 H111388 2.187 -0.786 -3.082 1693TIP3 H211389 2.191 -0.911 -2.998 1694TIP3 OH211390 1.975 -0.767 -3.733 1694TIP3 H111391 1.879 -0.752 -3.724 1694TIP3 H211392 2.011 -0.680 -3.707 1695TIP3 OH211393 2.478 -1.286 -3.090 1695TIP3 H111394 2.445 -1.317 -3.004 1695TIP3 H211395 2.549 -1.350 -3.109 1696TIP3 OH211396 2.686 -1.161 -4.195 1696TIP3 H111397 2.737 -1.201 -4.122 1696TIP3 H211398 2.597 -1.169 -4.158 1697TIP3 OH211399 2.805 -0.869 -2.844 1697TIP3 H111400 2.720 -0.893 -2.885 1697TIP3 H211401 2.818 -0.779 -2.879 1698TIP3 OH211402 3.175 -0.714 -4.158 1698TIP3 H111403 3.246 -0.646 -4.146 1698TIP3 H211404 3.096 -0.661 -4.138 1699TIP3 OH211405 2.785 -1.296 -3.965 1699TIP3 H111406 2.760 -1.369 -3.906 1699TIP3 H211407 2.882 -1.300 -3.961 1700TIP3 OH211408 1.529 -0.919 -3.051 1700TIP3 H111409 1.555 -1.009 -3.029 1700TIP3 H211410 1.547 -0.874 -2.967 1701TIP3 OH211411 2.136 -1.054 -4.327 1701TIP3 H111412 2.175 -1.139 -4.355 1701TIP3 H211413 2.081 -1.083 -4.252 1702TIP3 OH211414 1.992 -1.099 -4.074 1702TIP3 H111415 2.048 -1.151 -4.015 1702TIP3 H211416 2.013 -1.007 -4.049 1703TIP3 OH211417 1.680 -1.383 -4.014 1703TIP3 H111418 1.607 -1.334 -3.972 1703TIP3 H211419 1.730 -1.311 -4.055 1704TIP3 OH211420 2.481 -2.104 -3.013 1704TIP3 H111421 2.498 -2.081 -2.920 1704TIP3 H211422 2.408 -2.167 -3.003 1705TIP3 OH211423 2.504 -2.151 -3.921 1705TIP3 H111424 2.538 -2.104 -3.999 1705TIP3 H211425 2.559 -2.114 -3.851 1706TIP3 OH211426 2.288 -0.941 -4.028 1706TIP3 H111427 2.211 -0.887 -4.003 1706TIP3 H211428 2.341 -0.875 -4.075 1707TIP3 OH211429 2.244 -1.965 -3.818 1707TIP3 H111430 2.324 -1.910 -3.810 1707TIP3 H211431 2.222 -1.983 -3.725 1708TIP3 OH211432 2.291 -1.877 -2.904 1708TIP3 H111433 2.284 -1.822 -2.824 1708TIP3 H211434 2.352 -1.945 -2.875 1709TIP3 OH211435 2.315 -2.261 -3.724 1709TIP3 H111436 2.296 -2.194 -3.656 1709TIP3 H211437 2.387 -2.218 -3.773 1710TIP3 OH211438 2.007 -0.821 -4.025 1710TIP3 H111439 2.012 -0.736 -4.073 1710TIP3 H211440 1.995 -0.792 -3.933 1711TIP3 OH211441 1.889 -2.146 -4.077 1711TIP3 H111442 1.872 -2.081 -4.009 1711TIP3 H211443 1.964 -2.196 -4.040 1712TIP3 OH211444 2.764 -1.687 -3.410 1712TIP3 H111445 2.682 -1.733 -3.436 1712TIP3 H211446 2.815 -1.758 -3.365 1713TIP3 OH211447 1.716 -1.074 -4.154 1713TIP3 H111448 1.797 -1.044 -4.111 1713TIP3 H211449 1.754 -1.127 -4.226 1714TIP3 OH211450 1.546 -1.843 -4.250 1714TIP3 H111451 1.557 -1.747 -4.238 1714TIP3 H211452 1.458 -1.847 -4.292 1715TIP3 OH211453 2.891 -0.797 -3.253 1715TIP3 H111454 2.862 -0.724 -3.311 1715TIP3 H211455 2.987 -0.778 -3.250 1716TIP3 OH211456 1.636 -2.354 -3.370 1716TIP3 H111457 1.612 -2.357 -3.465 1716TIP3 H211458 1.598 -2.438 -3.337 1717TIP3 OH211459 1.520 -1.002 -3.746 1717TIP3 H111460 1.440 -0.952 -3.724 1717TIP3 H211461 1.557 -0.950 -3.820 1718TIP3 OH211462 1.454 -0.710 -2.624 1718TIP3 H111463 1.515 -0.738 -2.553 1718TIP3 H211464 1.418 -0.796 -2.653 1719TIP3 OH211465 1.929 -0.804 -2.452 1719TIP3 H111466 1.997 -0.868 -2.426 1719TIP3 H211467 1.907 -0.833 -2.542 1720TIP3 OH211468 2.351 -0.870 -4.331 1720TIP3 H111469 2.271 -0.927 -4.326 1720TIP3 H211470 2.418 -0.937 -4.352 1721TIP3 OH211471 2.580 -0.988 -2.602 1721TIP3 H111472 2.535 -1.060 -2.554 1721TIP3 H211473 2.646 -0.956 -2.537 1722TIP3 OH211474 2.735 -0.897 -4.288 1722TIP3 H111475 2.763 -0.978 -4.244 1722TIP3 H211476 2.819 -0.856 -4.318 1723TIP3 OH211477 1.452 -1.352 -2.512 1723TIP3 H111478 1.469 -1.440 -2.549 1723TIP3 H211479 1.380 -1.321 -2.570 1724TIP3 OH211480 1.882 -1.291 -4.302 1724TIP3 H111481 1.899 -1.366 -4.244 1724TIP3 H211482 1.944 -1.305 -4.374 1725TIP3 OH211483 2.121 -1.329 -2.584 1725TIP3 H111484 2.087 -1.299 -2.669 1725TIP3 H211485 2.127 -1.427 -2.597 1726TIP3 OH211486 2.411 -1.190 -4.347 1726TIP3 H111487 2.429 -1.178 -4.252 1726TIP3 H211488 2.477 -1.256 -4.372 1727TIP3 OH211489 2.680 -1.338 -2.830 1727TIP3 H111490 2.746 -1.311 -2.894 1727TIP3 H211491 2.607 -1.276 -2.847 1728TIP3 OH211492 1.547 -1.619 -2.601 1728TIP3 H111493 1.610 -1.691 -2.618 1728TIP3 H211494 1.538 -1.624 -2.505 1729TIP3 OH211495 1.988 -1.505 -4.079 1729TIP3 H111496 1.922 -1.555 -4.030 1729TIP3 H211497 2.024 -1.572 -4.140 1730TIP3 OH211498 1.928 -1.715 -2.835 1730TIP3 H111499 1.842 -1.670 -2.834 1730TIP3 H211500 1.969 -1.681 -2.916 1731TIP3 OH211501 2.104 -1.684 -4.275 1731TIP3 H111502 2.109 -1.712 -4.367 1731TIP3 H211503 2.199 -1.688 -4.250 1732TIP3 OH211504 2.437 -1.452 -2.502 1732TIP3 H111505 2.529 -1.471 -2.525 1732TIP3 H211506 2.410 -1.534 -2.459 1733TIP3 OH211507 1.973 -1.991 -2.741 1733TIP3 H111508 1.969 -2.059 -2.810 1733TIP3 H211509 1.941 -1.912 -2.788 1734TIP3 OH211510 1.997 -2.152 -3.003 1734TIP3 H111511 2.044 -2.092 -3.063 1734TIP3 H211512 1.903 -2.136 -3.023 1735TIP3 OH211513 2.160 -1.604 -2.966 1735TIP3 H111514 2.246 -1.605 -3.011 1735TIP3 H211515 2.127 -1.515 -2.987 1736TIP3 OH211516 2.614 -1.807 -2.483 1736TIP3 H111517 2.629 -1.900 -2.457 1736TIP3 H211518 2.703 -1.770 -2.477 1737TIP3 OH211519 2.720 -1.537 -2.650 1737TIP3 H111520 2.685 -1.464 -2.705 1737TIP3 H211521 2.814 -1.530 -2.674 1738TIP3 OH211522 1.792 -1.825 -2.549 1738TIP3 H111523 1.724 -1.892 -2.570 1738TIP3 H211524 1.861 -1.848 -2.612 1739TIP3 OH211525 2.075 -2.413 -2.964 1739TIP3 H111526 2.053 -2.319 -2.978 1739TIP3 H211527 2.003 -2.456 -3.014 1740TIP3 OH211528 2.212 -1.962 -2.590 1740TIP3 H111529 2.179 -1.985 -2.501 1740TIP3 H211530 2.130 -1.979 -2.641 1741TIP3 OH211531 2.470 -2.051 -2.726 1741TIP3 H111532 2.386 -2.035 -2.679 1741TIP3 H211533 2.520 -2.101 -2.659 1742TIP3 OH211534 2.636 -2.202 -2.529 1742TIP3 H111535 2.618 -2.296 -2.512 1742TIP3 H211536 2.613 -2.160 -2.444 1743TIP3 OH211537 1.633 -2.061 -2.577 1743TIP3 H111538 1.610 -2.125 -2.646 1743TIP3 H211539 1.608 -2.109 -2.496 1744TIP3 OH211540 2.055 -2.466 -2.681 1744TIP3 H111541 2.115 -2.542 -2.674 1744TIP3 H211542 2.054 -2.450 -2.777 1745TIP3 OH211543 2.150 -2.280 -2.494 1745TIP3 H111544 2.115 -2.338 -2.565 1745TIP3 H211545 2.083 -2.210 -2.489 1746TIP3 OH211546 2.063 -0.575 -4.172 1746TIP3 H111547 2.159 -0.560 -4.162 1746TIP3 H211548 2.039 -0.513 -4.242 1747TIP3 OH211549 1.449 -1.170 -4.195 1747TIP3 H111550 1.539 -1.133 -4.197 1747TIP3 H211551 1.444 -1.221 -4.277 1748TIP3 OH211552 1.350 -0.616 -3.720 1748TIP3 H111553 1.278 -0.652 -3.776 1748TIP3 H211554 1.356 -0.684 -3.650 1749TIP3 OH211555 1.388 -0.813 -3.520 1749TIP3 H111556 1.357 -0.900 -3.488 1749TIP3 H211557 1.422 -0.777 -3.437 1750TIP3 OH211558 3.156 -0.688 -3.218 1750TIP3 H111559 3.186 -0.687 -3.127 1750TIP3 H211560 3.239 -0.664 -3.263 1751TIP3 OH211561 3.101 -0.782 -2.907 1751TIP3 H111562 3.078 -0.838 -2.982 1751TIP3 H211563 3.193 -0.806 -2.888 1752TIP3 OH211564 2.929 -1.167 -2.537 1752TIP3 H111565 2.851 -1.195 -2.485 1752TIP3 H211566 2.981 -1.121 -2.467 1753TIP3 OH211567 3.067 -1.314 -3.930 1753TIP3 H111568 3.157 -1.276 -3.919 1753TIP3 H211569 3.067 -1.378 -3.856 1754TIP3 OH211570 3.112 -1.511 -3.732 1754TIP3 H111571 3.050 -1.572 -3.687 1754TIP3 H211572 3.185 -1.502 -3.669 1755TIP3 OH211573 3.087 -1.266 -3.241 1755TIP3 H111574 3.153 -1.316 -3.291 1755TIP3 H211575 3.109 -1.174 -3.266 1756TIP3 OH211576 3.139 -1.551 -4.107 1756TIP3 H111577 3.081 -1.516 -4.175 1756TIP3 H211578 3.128 -1.483 -4.038 1757TIP3 OH211579 2.963 -1.811 -4.218 1757TIP3 H111580 2.997 -1.735 -4.268 1757TIP3 H211581 3.009 -1.885 -4.260 1758TIP3 OH211582 2.908 -1.701 -3.651 1758TIP3 H111583 2.901 -1.797 -3.665 1758TIP3 H211584 2.871 -1.691 -3.561 1759TIP3 OH211585 1.405 -1.477 -3.276 1759TIP3 H111586 1.428 -1.475 -3.370 1759TIP3 H211587 1.488 -1.510 -3.236 1760TIP3 OH211588 2.991 -1.465 -2.720 1760TIP3 H111589 3.045 -1.546 -2.724 1760TIP3 H211590 3.054 -1.399 -2.749 1761TIP3 OH211591 3.119 -1.687 -2.620 1761TIP3 H111592 3.044 -1.747 -2.642 1761TIP3 H211593 3.194 -1.749 -2.618 1762TIP3 OH211594 2.889 -2.130 -4.338 1762TIP3 H111595 2.950 -2.156 -4.268 1762TIP3 H211596 2.803 -2.164 -4.310 1763TIP3 OH211597 2.888 -1.946 -3.837 1763TIP3 H111598 2.915 -2.040 -3.828 1763TIP3 H211599 2.970 -1.908 -3.872 1764TIP3 OH211600 2.923 -1.883 -3.293 1764TIP3 H111601 3.020 -1.872 -3.296 1764TIP3 H211602 2.907 -1.880 -3.198 1765TIP3 OH211603 2.921 -1.831 -2.997 1765TIP3 H111604 2.839 -1.782 -2.971 1765TIP3 H211605 2.978 -1.755 -3.024 1766TIP3 OH211606 3.175 -2.395 -2.502 1766TIP3 H111607 3.231 -2.467 -2.535 1766TIP3 H211608 3.213 -2.317 -2.544 1767TIP3 OH211609 2.939 -2.215 -3.823 1767TIP3 H111610 2.960 -2.259 -3.738 1767TIP3 H211611 2.870 -2.274 -3.859 1768TIP3 OH211612 1.463 -2.109 -3.362 1768TIP3 H111613 1.503 -2.197 -3.347 1768TIP3 H211614 1.530 -2.052 -3.320 1769TIP3 OH211615 1.314 -1.840 -3.258 1769TIP3 H111616 1.374 -1.849 -3.332 1769TIP3 H211617 1.357 -1.773 -3.203 1770TIP3 OH211618 3.098 -2.167 -2.680 1770TIP3 H111619 3.026 -2.178 -2.615 1770TIP3 H211620 3.093 -2.247 -2.735 1771TIP3 OH211621 3.143 -2.179 -4.180 1771TIP3 H111622 3.171 -2.258 -4.228 1771TIP3 H211623 3.228 -2.134 -4.167 1772TIP3 OH211624 1.364 -2.204 -3.848 1772TIP3 H111625 1.270 -2.207 -3.873 1772TIP3 H211626 1.403 -2.149 -3.918 1773TIP3 OH211627 2.829 -0.685 -3.641 1773TIP3 H111628 2.877 -0.710 -3.721 1773TIP3 H211629 2.898 -0.644 -3.588 1774TIP3 OH211630 1.367 -2.333 -3.049 1774TIP3 H111631 1.312 -2.342 -2.970 1774TIP3 H211632 1.317 -2.267 -3.099 1775TIP3 OH211633 1.570 -1.005 -2.569 1775TIP3 H111634 1.496 -1.012 -2.630 1775TIP3 H211635 1.527 -1.015 -2.483 1776TIP3 OH211636 1.854 -0.915 -3.002 1776TIP3 H111637 1.823 -0.828 -3.034 1776TIP3 H211638 1.951 -0.904 -3.017 1777TIP3 OH211639 2.307 -0.782 -2.700 1777TIP3 H111640 2.317 -0.797 -2.604 1777TIP3 H211641 2.391 -0.738 -2.722 1778TIP3 OH211642 2.541 -0.641 -2.775 1778TIP3 H111643 2.607 -0.709 -2.794 1778TIP3 H211644 2.572 -0.608 -2.688 1779TIP3 OH211645 2.989 -2.366 -2.867 1779TIP3 H111646 2.915 -2.390 -2.927 1779TIP3 H211647 3.043 -2.447 -2.878 1780TIP3 OH211648 1.590 -0.618 -2.967 1780TIP3 H111649 1.531 -0.554 -3.010 1780TIP3 H211650 1.561 -0.611 -2.875 1781TIP3 OH211651 1.841 -0.640 -3.112 1781TIP3 H111652 1.756 -0.621 -3.067 1781TIP3 H211653 1.844 -0.570 -3.179 1782TIP3 OH211654 2.316 -0.641 -3.155 1782TIP3 H111655 2.280 -0.595 -3.232 1782TIP3 H211656 2.326 -0.568 -3.091 1783TIP3 OH211657 2.550 -0.774 -3.063 1783TIP3 H111658 2.467 -0.734 -3.095 1783TIP3 H211659 2.608 -0.696 -3.057 1784TIP3 OH211660 2.805 -0.594 -3.039 1784TIP3 H111661 2.798 -0.501 -3.068 1784TIP3 H211662 2.830 -0.637 -3.122 1785TIP3 OH211663 1.549 -0.738 -3.272 1785TIP3 H111664 1.547 -0.785 -3.187 1785TIP3 H211665 1.626 -0.781 -3.315 1786TIP3 OH211666 1.752 -0.864 -3.428 1786TIP3 H111667 1.737 -0.956 -3.400 1786TIP3 H211668 1.842 -0.847 -3.395 1787TIP3 OH211669 2.025 -0.816 -3.339 1787TIP3 H111670 2.048 -0.908 -3.360 1787TIP3 H211671 2.034 -0.817 -3.242 1788TIP3 OH211672 2.361 -2.226 -3.406 1788TIP3 H111673 2.293 -2.295 -3.393 1788TIP3 H211674 2.424 -2.271 -3.465 1789TIP3 OH211675 2.852 -2.419 -3.362 1789TIP3 H111676 2.932 -2.382 -3.405 1789TIP3 H211677 2.782 -2.394 -3.423 1790TIP3 OH211678 3.061 -2.314 -3.576 1790TIP3 H111679 3.133 -2.361 -3.622 1790TIP3 H211680 3.097 -2.223 -3.572 1791TIP3 OH211681 1.596 -2.354 -3.654 1791TIP3 H111682 1.509 -2.369 -3.697 1791TIP3 H211683 1.637 -2.442 -3.666 1792TIP3 OH211684 1.475 -2.400 -4.081 1792TIP3 H111685 1.533 -2.335 -4.127 1792TIP3 H211686 1.439 -2.346 -4.009 1793TIP3 OH211687 2.042 -2.370 -3.665 1793TIP3 H111688 2.134 -2.343 -3.679 1793TIP3 H211689 2.041 -2.383 -3.569 1794TIP3 OH211690 2.601 -2.368 -3.525 1794TIP3 H111691 2.629 -2.382 -3.616 1794TIP3 H211692 2.564 -2.455 -3.501 1795TIP3 OH211693 2.705 -2.364 -3.914 1795TIP3 H111694 2.628 -2.318 -3.949 1795TIP3 H211695 2.677 -2.457 -3.923 1796TIP3 OH211696 1.482 -0.810 -3.964 1796TIP3 H111697 1.411 -0.813 -4.030 1796TIP3 H211698 1.483 -0.716 -3.942 1797TIP3 OH211699 1.644 -2.229 -4.227 1797TIP3 H111700 1.700 -2.286 -4.281 1797TIP3 H211701 1.710 -2.176 -4.180 1798TIP3 OH211702 2.150 -2.205 -3.955 1798TIP3 H111703 2.191 -2.265 -3.891 1798TIP3 H211704 2.188 -2.121 -3.925 1799TIP3 OH211705 2.359 -0.647 -4.145 1799TIP3 H111706 2.456 -0.634 -4.149 1799TIP3 H211707 2.349 -0.708 -4.221 1800TIP3 OH211708 3.020 -0.726 -3.883 1800TIP3 H111709 2.993 -0.810 -3.925 1800TIP3 H211710 3.002 -0.661 -3.953 1801TIP3 OH211711 1.574 -2.339 -2.710 1801TIP3 H111712 1.539 -2.418 -2.665 1801TIP3 H211713 1.666 -2.338 -2.678 1802TIP3 OH211714 1.814 -2.393 -2.526 1802TIP3 H111715 1.895 -2.429 -2.566 1802TIP3 H211716 1.776 -2.472 -2.484 1803TIP3 OH211717 1.682 -0.703 -4.232 1803TIP3 H111718 1.641 -0.679 -4.148 1803TIP3 H211719 1.748 -0.769 -4.208 1804TIP3 OH211720 2.625 -2.484 -2.512 1804TIP3 H111721 2.626 -2.525 -2.423 1804TIP3 H211722 2.720 -2.482 -2.533 1805TIP3 OH211723 4.222 -1.590 -3.311 1805TIP3 H111724 4.293 -1.544 -3.263 1805TIP3 H211725 4.241 -1.568 -3.403 1806TIP3 OH211726 3.514 -1.580 -3.149 1806TIP3 H111727 3.518 -1.652 -3.084 1806TIP3 H211728 3.589 -1.525 -3.121 1807TIP3 OH211729 3.584 -1.148 -3.290 1807TIP3 H111730 3.573 -1.233 -3.337 1807TIP3 H211731 3.677 -1.127 -3.308 1808TIP3 OH211732 3.280 -1.781 -3.762 1808TIP3 H111733 3.248 -1.690 -3.750 1808TIP3 H211734 3.207 -1.821 -3.813 1809TIP3 OH211735 3.355 -1.534 -3.588 1809TIP3 H111736 3.376 -1.608 -3.529 1809TIP3 H211737 3.444 -1.509 -3.620 1810TIP3 OH211738 4.122 -1.288 -3.246 1810TIP3 H111739 4.146 -1.349 -3.317 1810TIP3 H211740 4.207 -1.267 -3.207 1811TIP3 OH211741 3.744 -2.052 -3.505 1811TIP3 H111742 3.757 -1.966 -3.549 1811TIP3 H211743 3.707 -2.103 -3.580 1812TIP3 OH211744 3.407 -1.784 -3.449 1812TIP3 H111745 3.477 -1.827 -3.397 1812TIP3 H211746 3.419 -1.825 -3.536 1813TIP3 OH211747 3.952 -1.643 -3.505 1813TIP3 H111748 4.025 -1.697 -3.471 1813TIP3 H211749 3.899 -1.710 -3.552 1814TIP3 OH211750 3.622 -2.174 -3.089 1814TIP3 H111751 3.584 -2.125 -3.163 1814TIP3 H211752 3.557 -2.156 -3.018 1815TIP3 OH211753 3.914 -1.389 -3.074 1815TIP3 H111754 3.844 -1.326 -3.049 1815TIP3 H211755 3.980 -1.330 -3.115 1816TIP3 OH211756 3.582 -1.970 -3.295 1816TIP3 H111757 3.646 -1.911 -3.250 1816TIP3 H211758 3.639 -2.006 -3.366 1817TIP3 OH211759 3.718 -1.195 -2.996 1817TIP3 H111760 3.715 -1.114 -3.051 1817TIP3 H211761 3.626 -1.196 -2.967 1818TIP3 OH211762 3.335 -1.220 -3.913 1818TIP3 H111763 3.329 -1.178 -4.001 1818TIP3 H211764 3.360 -1.148 -3.853 1819TIP3 OH211765 4.043 -2.426 -3.375 1819TIP3 H111766 4.015 -2.520 -3.375 1819TIP3 H211767 3.963 -2.383 -3.338 1820TIP3 OH211768 4.237 -1.524 -3.928 1820TIP3 H111769 4.165 -1.462 -3.944 1820TIP3 H211770 4.305 -1.491 -3.987 1821TIP3 OH211771 4.280 -1.696 -4.212 1821TIP3 H111772 4.344 -1.693 -4.138 1821TIP3 H211773 4.303 -1.780 -4.253 1822TIP3 OH211774 3.747 -1.461 -3.616 1822TIP3 H111775 3.731 -1.495 -3.706 1822TIP3 H211776 3.824 -1.513 -3.587 1823TIP3 OH211777 3.897 -1.125 -3.338 1823TIP3 H111778 3.893 -1.149 -3.432 1823TIP3 H211779 3.981 -1.165 -3.310 1824TIP3 OH211780 3.815 -1.572 -3.265 1824TIP3 H111781 3.872 -1.570 -3.345 1824TIP3 H211782 3.856 -1.503 -3.209 1825TIP3 OH211783 3.903 -1.138 -2.784 1825TIP3 H111784 3.852 -1.071 -2.736 1825TIP3 H211785 3.842 -1.160 -2.857 1826TIP3 OH211786 3.595 -1.502 -2.868 1826TIP3 H111787 3.602 -1.440 -2.793 1826TIP3 H211788 3.499 -1.510 -2.879 1827TIP3 OH211789 4.263 -0.928 -3.703 1827TIP3 H111790 4.299 -0.877 -3.628 1827TIP3 H211791 4.200 -0.865 -3.741 1828TIP3 OH211792 3.707 -0.917 -2.695 1828TIP3 H111793 3.706 -0.910 -2.793 1828TIP3 H211794 3.619 -0.953 -2.676 1829TIP3 OH211795 3.657 -1.582 -3.862 1829TIP3 H111796 3.662 -1.511 -3.927 1829TIP3 H211797 3.582 -1.633 -3.896 1830TIP3 OH211798 3.233 -1.305 -2.979 1830TIP3 H111799 3.206 -1.306 -3.073 1830TIP3 H211800 3.259 -1.397 -2.963 1831TIP3 OH211801 3.257 -1.027 -3.279 1831TIP3 H111802 3.351 -1.049 -3.293 1831TIP3 H211803 3.268 -0.936 -3.247 1832TIP3 OH211804 4.165 -1.030 -2.847 1832TIP3 H111805 4.179 -0.952 -2.792 1832TIP3 H211806 4.080 -1.065 -2.816 1833TIP3 OH211807 4.186 -0.649 -3.842 1833TIP3 H111808 4.201 -0.656 -3.937 1833TIP3 H211809 4.214 -0.560 -3.819 1834TIP3 OH211810 3.575 -0.747 -3.644 1834TIP3 H111811 3.590 -0.788 -3.557 1834TIP3 H211812 3.499 -0.799 -3.674 1835TIP3 OH211813 3.437 -1.138 -2.842 1835TIP3 H111814 3.497 -1.195 -2.791 1835TIP3 H211815 3.395 -1.197 -2.907 1836TIP3 OH211816 3.796 -2.311 -3.290 1836TIP3 H111817 3.715 -2.315 -3.344 1836TIP3 H211818 3.775 -2.235 -3.234 1837TIP3 OH211819 4.234 -2.373 -2.862 1837TIP3 H111820 4.245 -2.445 -2.799 1837TIP3 H211821 4.142 -2.390 -2.894 1838TIP3 OH211822 4.220 -2.100 -4.212 1838TIP3 H111823 4.162 -2.107 -4.135 1838TIP3 H211824 4.185 -2.170 -4.269 1839TIP3 OH211825 3.777 -1.830 -3.151 1839TIP3 H111826 3.724 -1.814 -3.072 1839TIP3 H211827 3.790 -1.738 -3.186 1840TIP3 OH211828 3.774 -1.825 -3.660 1840TIP3 H111829 3.678 -1.828 -3.676 1840TIP3 H211830 3.807 -1.830 -3.751 1841TIP3 OH211831 4.261 -1.722 -3.744 1841TIP3 H111832 4.216 -1.654 -3.798 1841TIP3 H211833 4.332 -1.667 -3.707 1842TIP3 OH211834 4.249 -1.743 -2.635 1842TIP3 H111835 4.197 -1.824 -2.616 1842TIP3 H211836 4.339 -1.781 -2.632 1843TIP3 OH211837 3.505 -1.814 -2.958 1843TIP3 H111838 3.550 -1.782 -2.878 1843TIP3 H211839 3.487 -1.907 -2.935 1844TIP3 OH211840 3.895 -2.075 -4.311 1844TIP3 H111841 3.855 -2.097 -4.225 1844TIP3 H211842 3.823 -2.020 -4.349 1845TIP3 OH211843 3.196 -2.070 -3.596 1845TIP3 H111844 3.260 -2.071 -3.523 1845TIP3 H211845 3.247 -2.101 -3.673 1846TIP3 OH211846 3.357 -2.024 -4.041 1846TIP3 H111847 3.414 -1.974 -4.103 1846TIP3 H211848 3.291 -1.956 -4.017 1847TIP3 OH211849 4.351 -1.687 -3.023 1847TIP3 H111850 4.378 -1.754 -3.089 1847TIP3 H211851 4.272 -1.730 -2.986 1848TIP3 OH211852 4.048 -2.089 -3.554 1848TIP3 H111853 3.954 -2.074 -3.534 1848TIP3 H211854 4.089 -2.056 -3.472 1849TIP3 OH211855 3.505 -1.944 -3.686 1849TIP3 H111856 3.427 -1.912 -3.735 1849TIP3 H211857 3.535 -2.020 -3.739 1850TIP3 OH211858 3.875 -1.910 -3.931 1850TIP3 H111859 3.967 -1.881 -3.919 1850TIP3 H211860 3.838 -1.845 -3.994 1851TIP3 OH211861 3.727 -1.796 -4.154 1851TIP3 H111862 3.674 -1.840 -4.222 1851TIP3 H211863 3.793 -1.748 -4.205 1852TIP3 OH211864 3.579 -1.313 -2.647 1852TIP3 H111865 3.649 -1.305 -2.579 1852TIP3 H211866 3.500 -1.296 -2.592 1853TIP3 OH211867 4.139 -1.859 -3.416 1853TIP3 H111868 4.224 -1.883 -3.455 1853TIP3 H211869 4.161 -1.855 -3.322 1854TIP3 OH211870 3.675 -2.175 -3.758 1854TIP3 H111871 3.626 -2.257 -3.742 1854TIP3 H211872 3.758 -2.207 -3.794 1855TIP3 OH211873 4.048 -1.976 -3.143 1855TIP3 H111874 3.981 -1.908 -3.162 1855TIP3 H211875 4.101 -1.934 -3.073 1856TIP3 OH211876 4.202 -1.342 -2.832 1856TIP3 H111877 4.188 -1.347 -2.737 1856TIP3 H211878 4.216 -1.247 -2.847 1857TIP3 OH211879 3.572 -1.408 -3.392 1857TIP3 H111880 3.636 -1.408 -3.466 1857TIP3 H211881 3.602 -1.485 -3.341 1858TIP3 OH211882 4.251 -1.213 -4.054 1858TIP3 H111883 4.244 -1.119 -4.030 1858TIP3 H211884 4.162 -1.242 -4.026 1859TIP3 OH211885 3.299 -1.556 -2.849 1859TIP3 H111886 3.324 -1.607 -2.769 1859TIP3 H211887 3.245 -1.619 -2.899 1860TIP3 OH211888 4.000 -1.613 -2.649 1860TIP3 H111889 3.972 -1.635 -2.740 1860TIP3 H211890 4.096 -1.631 -2.655 1861TIP3 OH211891 3.797 -1.037 -3.625 1861TIP3 H111892 3.862 -0.984 -3.671 1861TIP3 H211893 3.725 -1.044 -3.688 1862TIP3 OH211894 3.418 -1.578 -4.203 1862TIP3 H111895 3.475 -1.511 -4.161 1862TIP3 H211896 3.330 -1.552 -4.171 1863TIP3 OH211897 4.014 -1.279 -3.621 1863TIP3 H111898 4.005 -1.208 -3.686 1863TIP3 H211899 3.945 -1.340 -3.649 1864TIP3 OH211900 4.020 -0.853 -3.051 1864TIP3 H111901 4.082 -0.794 -3.096 1864TIP3 H211902 4.081 -0.916 -3.008 1865TIP3 OH211903 3.862 -0.764 -3.751 1865TIP3 H111904 3.771 -0.766 -3.717 1865TIP3 H211905 3.896 -0.681 -3.713 1866TIP3 OH211906 3.431 -2.091 -2.889 1866TIP3 H111907 3.342 -2.082 -2.924 1866TIP3 H211908 3.427 -2.180 -2.849 1867TIP3 OH211909 4.017 -1.055 -4.286 1867TIP3 H111910 4.031 -1.136 -4.335 1867TIP3 H211911 3.972 -1.091 -4.206 1868TIP3 OH211912 3.550 -1.366 -4.053 1868TIP3 H111913 3.488 -1.322 -3.991 1868TIP3 H211914 3.624 -1.303 -4.054 1869TIP3 OH211915 4.338 -2.064 -2.983 1869TIP3 H111916 4.384 -2.142 -2.951 1869TIP3 H211917 4.273 -2.102 -3.044 1870TIP3 OH211918 4.190 -0.929 -4.020 1870TIP3 H111919 4.095 -0.917 -4.004 1870TIP3 H211920 4.204 -0.873 -4.097 1871TIP3 OH211921 4.154 -1.968 -3.810 1871TIP3 H111922 4.201 -1.886 -3.785 1871TIP3 H211923 4.112 -1.989 -3.725 1872TIP3 OH211924 4.162 -1.880 -2.893 1872TIP3 H111925 4.183 -1.825 -2.817 1872TIP3 H211926 4.236 -1.944 -2.896 1873TIP3 OH211927 4.198 -2.270 -3.694 1873TIP3 H111928 4.164 -2.192 -3.644 1873TIP3 H211929 4.270 -2.231 -3.746 1874TIP3 OH211930 3.871 -0.836 -4.041 1874TIP3 H111931 3.894 -0.748 -4.075 1874TIP3 H211932 3.873 -0.822 -3.944 1875TIP3 OH211933 3.768 -2.155 -4.080 1875TIP3 H111934 3.764 -2.080 -4.019 1875TIP3 H211935 3.841 -2.207 -4.044 1876TIP3 OH211936 3.624 -1.052 -4.157 1876TIP3 H111937 3.703 -1.026 -4.107 1876TIP3 H211938 3.661 -1.121 -4.214 1877TIP3 OH211939 3.432 -1.854 -4.261 1877TIP3 H111940 3.447 -1.760 -4.241 1877TIP3 H211941 3.339 -1.852 -4.291 1878TIP3 OH211942 3.505 -2.350 -3.376 1878TIP3 H111943 3.503 -2.363 -3.473 1878TIP3 H211944 3.481 -2.439 -3.343 1879TIP3 OH211945 3.404 -0.989 -3.743 1879TIP3 H111946 3.322 -0.939 -3.736 1879TIP3 H211947 3.447 -0.948 -3.818 1880TIP3 OH211948 3.336 -0.717 -2.628 1880TIP3 H111949 3.405 -0.736 -2.561 1880TIP3 H211950 3.292 -0.801 -2.635 1881TIP3 OH211951 3.816 -0.802 -2.453 1881TIP3 H111952 3.882 -0.869 -2.427 1881TIP3 H211953 3.789 -0.837 -2.540 1882TIP3 OH211954 4.228 -0.873 -4.317 1882TIP3 H111955 4.145 -0.926 -4.314 1882TIP3 H211956 4.286 -0.936 -4.359 1883TIP3 OH211957 3.306 -1.338 -2.549 1883TIP3 H111958 3.335 -1.429 -2.571 1883TIP3 H211959 3.262 -1.311 -2.630 1884TIP3 OH211960 3.761 -1.306 -4.322 1884TIP3 H111961 3.785 -1.339 -4.234 1884TIP3 H211962 3.846 -1.310 -4.368 1885TIP3 OH211963 4.000 -1.330 -2.583 1885TIP3 H111964 3.979 -1.296 -2.671 1885TIP3 H211965 4.016 -1.425 -2.598 1886TIP3 OH211966 4.292 -1.192 -4.357 1886TIP3 H111967 4.307 -1.174 -4.262 1886TIP3 H211968 4.329 -1.280 -4.368 1887TIP3 OH211969 3.421 -1.636 -2.598 1887TIP3 H111970 3.500 -1.692 -2.599 1887TIP3 H211971 3.421 -1.606 -2.505 1888TIP3 OH211972 3.790 -1.722 -2.861 1888TIP3 H111973 3.741 -1.641 -2.836 1888TIP3 H211974 3.855 -1.687 -2.924 1889TIP3 OH211975 3.996 -1.658 -4.265 1889TIP3 H111976 3.990 -1.697 -4.352 1889TIP3 H211977 4.089 -1.668 -4.240 1890TIP3 OH211978 4.267 -1.482 -2.488 1890TIP3 H111979 4.354 -1.485 -2.530 1890TIP3 H211980 4.271 -1.559 -2.430 1891TIP3 OH211981 3.853 -1.993 -2.740 1891TIP3 H111982 3.864 -2.057 -2.813 1891TIP3 H211983 3.839 -1.911 -2.789 1892TIP3 OH211984 3.886 -2.148 -2.997 1892TIP3 H111985 3.938 -2.090 -3.058 1892TIP3 H211986 3.796 -2.143 -3.034 1893TIP3 OH211987 4.064 -1.609 -2.968 1893TIP3 H111988 4.135 -1.608 -3.033 1893TIP3 H211989 4.029 -1.519 -2.977 1894TIP3 OH211990 3.668 -1.807 -2.564 1894TIP3 H111991 3.618 -1.891 -2.564 1894TIP3 H211992 3.751 -1.833 -2.607 1895TIP3 OH211993 3.972 -2.409 -2.961 1895TIP3 H111994 3.948 -2.316 -2.979 1895TIP3 H211995 3.906 -2.456 -3.016 1896TIP3 OH211996 4.104 -1.969 -2.584 1896TIP3 H111997 4.060 -1.987 -2.500 1896TIP3 H211998 4.030 -1.987 -2.646 1897TIP3 OH211999 3.534 -2.062 -2.579 1897TIP3 H112000 3.533 -2.134 -2.643 1897TIP3 H212001 3.520 -2.110 -2.495 1898TIP3 OH212002 3.944 -2.463 -2.679 1898TIP3 H112003 4.004 -2.539 -2.674 1898TIP3 H212004 3.941 -2.447 -2.775 1899TIP3 OH212005 4.034 -2.285 -2.483 1899TIP3 H112006 4.007 -2.338 -2.560 1899TIP3 H212007 3.974 -2.209 -2.488 1900TIP3 OH212008 3.957 -0.570 -4.163 1900TIP3 H112009 4.053 -0.569 -4.163 1900TIP3 H212010 3.934 -0.521 -4.243 1901TIP3 OH212011 3.334 -1.163 -4.197 1901TIP3 H112012 3.427 -1.135 -4.195 1901TIP3 H212013 3.333 -1.222 -4.274 1902TIP3 OH212014 3.237 -0.614 -3.716 1902TIP3 H112015 3.166 -0.654 -3.770 1902TIP3 H212016 3.246 -0.681 -3.644 1903TIP3 OH212017 3.266 -0.804 -3.516 1903TIP3 H112018 3.248 -0.896 -3.493 1903TIP3 H212019 3.326 -0.782 -3.441 1904TIP3 OH212020 3.281 -1.484 -3.275 1904TIP3 H112021 3.305 -1.470 -3.368 1904TIP3 H212022 3.370 -1.501 -3.237 1905TIP3 OH212023 3.269 -1.939 -2.653 1905TIP3 H112024 3.363 -1.961 -2.636 1905TIP3 H212025 3.225 -2.024 -2.635 1906TIP3 OH212026 3.334 -2.115 -3.342 1906TIP3 H112027 3.384 -2.199 -3.347 1906TIP3 H212028 3.405 -2.053 -3.319 1907TIP3 OH212029 3.203 -1.841 -3.241 1907TIP3 H112030 3.257 -1.855 -3.321 1907TIP3 H212031 3.241 -1.757 -3.212 1908TIP3 OH212032 3.253 -2.200 -3.848 1908TIP3 H112033 3.159 -2.205 -3.871 1908TIP3 H212034 3.292 -2.146 -3.920 1909TIP3 OH212035 3.258 -2.303 -3.027 1909TIP3 H112036 3.193 -2.363 -2.990 1909TIP3 H212037 3.211 -2.272 -3.106 1910TIP3 OH212038 3.443 -1.020 -2.564 1910TIP3 H112039 3.378 -1.017 -2.635 1910TIP3 H212040 3.393 -1.010 -2.482 1911TIP3 OH212041 3.747 -0.907 -2.982 1911TIP3 H112042 3.697 -0.845 -3.038 1911TIP3 H212043 3.838 -0.893 -3.015 1912TIP3 OH212044 4.220 -0.739 -2.706 1912TIP3 H112045 4.201 -0.785 -2.622 1912TIP3 H212046 4.318 -0.741 -2.703 1913TIP3 OH212047 3.478 -0.614 -2.957 1913TIP3 H112048 3.421 -0.558 -3.013 1913TIP3 H212049 3.435 -0.606 -2.872 1914TIP3 OH212050 3.747 -0.612 -3.083 1914TIP3 H112051 3.657 -0.626 -3.048 1914TIP3 H212052 3.728 -0.592 -3.175 1915TIP3 OH212053 4.214 -0.663 -3.163 1915TIP3 H112054 4.174 -0.619 -3.240 1915TIP3 H212055 4.217 -0.593 -3.098 1916TIP3 OH212056 3.916 -0.799 -3.346 1916TIP3 H112057 3.901 -0.888 -3.382 1916TIP3 H212058 3.891 -0.814 -3.254 1917TIP3 OH212059 4.270 -2.266 -3.405 1917TIP3 H112060 4.182 -2.305 -3.392 1917TIP3 H212061 4.291 -2.295 -3.494 1918TIP3 OH212062 3.506 -2.401 -3.661 1918TIP3 H112063 3.417 -2.404 -3.700 1918TIP3 H212064 3.527 -2.495 -3.656 1919TIP3 OH212065 3.352 -2.396 -4.087 1919TIP3 H112066 3.418 -2.335 -4.126 1919TIP3 H212067 3.330 -2.351 -4.004 1920TIP3 OH212068 3.932 -2.373 -3.665 1920TIP3 H112069 4.025 -2.345 -3.671 1920TIP3 H212070 3.925 -2.385 -3.570 1921TIP3 OH212071 3.366 -0.810 -3.966 1921TIP3 H112072 3.295 -0.811 -4.033 1921TIP3 H212073 3.368 -0.717 -3.941 1922TIP3 OH212074 3.527 -2.228 -4.232 1922TIP3 H112075 3.584 -2.288 -4.281 1922TIP3 H212076 3.592 -2.177 -4.181 1923TIP3 OH212077 4.072 -2.209 -3.965 1923TIP3 H112078 4.064 -2.266 -3.886 1923TIP3 H212079 4.055 -2.121 -3.928 1924TIP3 OH212080 4.266 -0.653 -4.149 1924TIP3 H112081 4.357 -0.622 -4.167 1924TIP3 H212082 4.251 -0.714 -4.225 1925TIP3 OH212083 3.456 -2.333 -2.697 1925TIP3 H112084 3.422 -2.418 -2.664 1925TIP3 H212085 3.550 -2.343 -2.676 1926TIP3 OH212086 3.697 -2.394 -2.528 1926TIP3 H112087 3.781 -2.427 -2.566 1926TIP3 H212088 3.665 -2.474 -2.483 1927TIP3 OH212089 3.573 -0.697 -4.231 1927TIP3 H112090 3.526 -0.686 -4.147 1927TIP3 H212091 3.635 -0.769 -4.212 1928TIP3 OH212092 -3.173 0.402 -3.669 1928TIP3 H112093 -3.175 0.493 -3.635 1928TIP3 H212094 -3.246 0.401 -3.732 1929TIP3 OH212095 -4.033 0.311 -3.152 1929TIP3 H112096 -4.035 0.234 -3.093 1929TIP3 H212097 -3.952 0.354 -3.122 1930TIP3 OH212098 -2.905 0.621 -3.489 1930TIP3 H112099 -2.959 0.548 -3.452 1930TIP3 H212100 -2.879 0.665 -3.408 1931TIP3 OH212101 -3.974 0.751 -3.286 1931TIP3 H112102 -3.978 0.667 -3.339 1931TIP3 H212103 -3.878 0.757 -3.275 1932TIP3 OH212104 -4.173 0.204 -3.838 1932TIP3 H112105 -4.227 0.266 -3.785 1932TIP3 H212106 -4.214 0.121 -3.814 1933TIP3 OH212107 -4.207 0.358 -3.578 1933TIP3 H112108 -4.186 0.278 -3.528 1933TIP3 H212109 -4.124 0.380 -3.620 1934TIP3 OH212110 -3.183 1.166 -3.422 1934TIP3 H112111 -3.149 1.090 -3.474 1934TIP3 H212112 -3.254 1.126 -3.370 1935TIP3 OH212113 -3.421 0.590 -3.262 1935TIP3 H112114 -3.386 0.523 -3.324 1935TIP3 H212115 -3.338 0.605 -3.213 1936TIP3 OH212116 -2.554 -0.251 -3.197 1936TIP3 H112117 -2.539 -0.185 -3.127 1936TIP3 H212118 -2.499 -0.214 -3.269 1937TIP3 OH212119 -3.094 0.032 -3.210 1937TIP3 H112120 -3.082 -0.064 -3.215 1937TIP3 H212121 -3.102 0.055 -3.304 1938TIP3 OH212122 -3.804 -0.166 -3.505 1938TIP3 H112123 -3.784 -0.082 -3.550 1938TIP3 H212124 -3.835 -0.219 -3.581 1939TIP3 OH212125 -3.015 -0.160 -3.682 1939TIP3 H112126 -2.960 -0.197 -3.610 1939TIP3 H212127 -2.951 -0.103 -3.727 1940TIP3 OH212128 -4.137 0.113 -3.451 1940TIP3 H112129 -4.078 0.068 -3.388 1940TIP3 H212130 -4.124 0.058 -3.530 1941TIP3 OH212131 -3.596 0.247 -3.505 1941TIP3 H112132 -3.518 0.201 -3.468 1941TIP3 H212133 -3.639 0.173 -3.552 1942TIP3 OH212134 -2.480 -0.105 -2.950 1942TIP3 H112135 -2.543 -0.037 -2.981 1942TIP3 H212136 -2.515 -0.119 -2.860 1943TIP3 OH212137 -3.916 -0.283 -3.094 1943TIP3 H112138 -3.960 -0.238 -3.167 1943TIP3 H212139 -3.973 -0.264 -3.019 1944TIP3 OH212140 -3.167 0.698 -3.753 1944TIP3 H112141 -3.201 0.666 -3.836 1944TIP3 H212142 -3.217 0.780 -3.738 1945TIP3 OH212143 -3.627 0.504 -3.072 1945TIP3 H112144 -3.702 0.565 -3.056 1945TIP3 H212145 -3.562 0.559 -3.118 1946TIP3 OH212146 -2.826 -0.230 -3.467 1946TIP3 H112147 -2.878 -0.277 -3.401 1946TIP3 H212148 -2.784 -0.161 -3.413 1947TIP3 OH212149 -3.959 -0.079 -3.297 1947TIP3 H112150 -3.892 -0.024 -3.250 1947TIP3 H212151 -3.902 -0.116 -3.368 1948TIP3 OH212152 -3.838 0.688 -3.010 1948TIP3 H112153 -3.835 0.784 -3.026 1948TIP3 H212154 -3.917 0.677 -2.954 1949TIP3 OH212155 -4.183 0.653 -3.915 1949TIP3 H112156 -4.259 0.671 -3.975 1949TIP3 H212157 -4.198 0.714 -3.843 1950TIP3 OH212158 -2.864 0.813 -3.211 1950TIP3 H112159 -2.955 0.786 -3.228 1950TIP3 H212160 -2.845 0.878 -3.280 1951TIP3 OH212161 -2.816 -0.315 -3.093 1951TIP3 H112162 -2.894 -0.266 -3.128 1951TIP3 H212163 -2.746 -0.289 -3.155 1952TIP3 OH212164 -3.507 -0.539 -3.383 1952TIP3 H112165 -3.529 -0.634 -3.384 1952TIP3 H212166 -3.587 -0.500 -3.343 1953TIP3 OH212167 -3.018 0.997 -3.568 1953TIP3 H112168 -2.978 0.914 -3.604 1953TIP3 H212169 -2.946 1.061 -3.586 1954TIP3 OH212170 -2.877 0.789 -3.713 1954TIP3 H112171 -2.925 0.744 -3.784 1954TIP3 H212172 -2.878 0.720 -3.645 1955TIP3 OH212173 -2.726 0.669 -2.881 1955TIP3 H112174 -2.737 0.592 -2.941 1955TIP3 H212175 -2.697 0.738 -2.942 1956TIP3 OH212176 -3.300 0.351 -3.919 1956TIP3 H112177 -3.364 0.415 -3.956 1956TIP3 H212178 -3.225 0.358 -3.980 1957TIP3 OH212179 -3.276 0.179 -4.210 1957TIP3 H112180 -3.211 0.207 -4.143 1957TIP3 H212181 -3.220 0.118 -4.263 1958TIP3 OH212182 -2.545 0.289 -3.078 1958TIP3 H112183 -2.625 0.344 -3.068 1958TIP3 H212184 -2.505 0.326 -3.159 1959TIP3 OH212185 -2.935 0.353 -3.796 1959TIP3 H112186 -3.009 0.372 -3.734 1959TIP3 H212187 -2.878 0.297 -3.741 1960TIP3 OH212188 -2.960 0.206 -2.920 1960TIP3 H112189 -2.950 0.281 -2.859 1960TIP3 H212190 -3.028 0.240 -2.979 1961TIP3 OH212191 -3.784 0.433 -3.615 1961TIP3 H112192 -3.814 0.388 -3.697 1961TIP3 H212193 -3.719 0.369 -3.580 1962TIP3 OH212194 -3.643 0.771 -3.340 1962TIP3 H112195 -3.654 0.733 -3.428 1962TIP3 H212196 -3.566 0.722 -3.307 1963TIP3 OH212197 -3.733 0.323 -3.269 1963TIP3 H112198 -3.672 0.314 -3.345 1963TIP3 H212199 -3.680 0.377 -3.207 1964TIP3 OH212200 -3.639 0.753 -2.786 1964TIP3 H112201 -3.692 0.811 -2.730 1964TIP3 H212202 -3.704 0.717 -2.848 1965TIP3 OH212203 -3.037 0.306 -4.056 1965TIP3 H112204 -2.994 0.327 -3.971 1965TIP3 H212205 -2.974 0.346 -4.120 1966TIP3 OH212206 -3.958 0.392 -2.873 1966TIP3 H112207 -3.950 0.442 -2.790 1966TIP3 H212208 -4.055 0.377 -2.875 1967TIP3 OH212209 -3.338 0.970 -3.663 1967TIP3 H112210 -3.245 0.980 -3.642 1967TIP3 H212211 -3.354 1.042 -3.726 1968TIP3 OH212212 -3.837 0.964 -2.698 1968TIP3 H112213 -3.845 0.968 -2.795 1968TIP3 H212214 -3.927 0.945 -2.668 1969TIP3 OH212215 -2.694 -0.534 -4.075 1969TIP3 H112216 -2.789 -0.523 -4.055 1969TIP3 H212217 -2.670 -0.444 -4.101 1970TIP3 OH212218 -3.893 0.306 -3.868 1970TIP3 H112219 -3.920 0.382 -3.921 1970TIP3 H212220 -3.970 0.248 -3.877 1971TIP3 OH212221 -2.582 0.900 -4.253 1971TIP3 H112222 -2.557 0.977 -4.200 1971TIP3 H212223 -2.512 0.835 -4.236 1972TIP3 OH212224 -2.444 0.930 -2.723 1972TIP3 H112225 -2.454 0.833 -2.737 1972TIP3 H212226 -2.534 0.952 -2.690 1973TIP3 OH212227 -3.385 0.858 -2.845 1973TIP3 H112228 -3.372 0.932 -2.784 1973TIP3 H212229 -3.471 0.821 -2.816 1974TIP3 OH212230 -3.352 1.233 -3.845 1974TIP3 H112231 -3.350 1.242 -3.941 1974TIP3 H212232 -3.342 1.325 -3.815 1975TIP3 OH212233 -3.977 1.147 -3.679 1975TIP3 H112234 -3.953 1.106 -3.594 1975TIP3 H212235 -4.054 1.093 -3.704 1976TIP3 OH212236 -3.059 1.219 -4.026 1976TIP3 H112237 -3.098 1.146 -4.075 1976TIP3 H212238 -2.980 1.175 -3.994 1977TIP3 OH212239 -3.098 1.023 -3.840 1977TIP3 H112240 -3.144 1.108 -3.848 1977TIP3 H212241 -3.040 1.035 -3.763 1978TIP3 OH212242 -4.104 0.685 -2.887 1978TIP3 H112243 -4.059 0.682 -2.800 1978TIP3 H212244 -4.171 0.616 -2.872 1979TIP3 OH212245 -3.748 -0.423 -3.290 1979TIP3 H112246 -3.831 -0.431 -3.341 1979TIP3 H212247 -3.771 -0.349 -3.231 1980TIP3 OH212248 -3.310 -0.472 -2.928 1980TIP3 H112249 -3.259 -0.517 -2.859 1980TIP3 H212250 -3.402 -0.501 -2.911 1981TIP3 OH212251 -3.009 -0.089 -2.896 1981TIP3 H112252 -3.027 -0.105 -2.802 1981TIP3 H212253 -2.989 0.006 -2.897 1982TIP3 OH212254 -2.816 0.386 -4.251 1982TIP3 H112255 -2.859 0.365 -4.334 1982TIP3 H212256 -2.784 0.476 -4.271 1983TIP3 OH212257 -3.329 -0.225 -4.216 1983TIP3 H112258 -3.382 -0.222 -4.136 1983TIP3 H212259 -3.372 -0.296 -4.265 1984TIP3 OH212260 -3.768 0.057 -3.152 1984TIP3 H112261 -3.812 0.071 -3.066 1984TIP3 H212262 -3.753 0.148 -3.183 1985TIP3 OH212263 -3.771 0.062 -3.660 1985TIP3 H112264 -3.866 0.054 -3.680 1985TIP3 H212265 -3.733 0.046 -3.749 1986TIP3 OH212266 -3.201 0.109 -3.793 1986TIP3 H112267 -3.240 0.196 -3.815 1986TIP3 H212268 -3.135 0.098 -3.862 1987TIP3 OH212269 -3.277 0.140 -2.632 1987TIP3 H112270 -3.327 0.059 -2.606 1987TIP3 H212271 -3.185 0.113 -2.617 1988TIP3 OH212272 -3.128 0.054 -3.502 1988TIP3 H112273 -3.144 0.122 -3.569 1988TIP3 H212274 -3.103 -0.021 -3.558 1989TIP3 OH212275 -4.030 0.074 -2.961 1989TIP3 H112276 -3.986 0.109 -2.883 1989TIP3 H212277 -4.060 -0.012 -2.928 1990TIP3 OH212278 -3.651 -0.187 -4.311 1990TIP3 H112279 -3.688 -0.215 -4.225 1990TIP3 H212280 -3.727 -0.136 -4.347 1991TIP3 OH212281 -4.316 -0.169 -3.598 1991TIP3 H112282 -4.305 -0.195 -3.505 1991TIP3 H212283 -4.283 -0.246 -3.645 1992TIP3 OH212284 -4.213 -0.105 -4.014 1992TIP3 H112285 -4.149 -0.100 -4.086 1992TIP3 H212286 -4.297 -0.090 -4.059 1993TIP3 OH212287 -3.230 0.226 -3.029 1993TIP3 H112288 -3.182 0.196 -3.109 1993TIP3 H212289 -3.237 0.144 -2.979 1994TIP3 OH212290 -3.492 -0.178 -3.557 1994TIP3 H112291 -3.584 -0.180 -3.527 1994TIP3 H212292 -3.444 -0.189 -3.473 1995TIP3 OH212293 -4.037 -0.052 -3.695 1995TIP3 H112294 -4.123 -0.052 -3.739 1995TIP3 H212295 -3.998 -0.135 -3.729 1996TIP3 OH212296 -3.673 -0.020 -3.925 1996TIP3 H112297 -3.577 -0.014 -3.913 1996TIP3 H212298 -3.693 0.045 -3.994 1997TIP3 OH212299 -3.055 -0.266 -3.260 1997TIP3 H112300 -3.115 -0.263 -3.182 1997TIP3 H212301 -3.119 -0.293 -3.328 1998TIP3 OH212302 -3.817 0.101 -4.163 1998TIP3 H112303 -3.874 0.046 -4.219 1998TIP3 H212304 -3.738 0.114 -4.217 1999TIP3 OH212305 -2.753 1.316 -2.590 1999TIP3 H112306 -2.727 1.359 -2.673 1999TIP3 H212307 -2.683 1.345 -2.530 2000TIP3 OH212308 -3.950 0.588 -2.650 2000TIP3 H112309 -3.889 0.582 -2.574 2000TIP3 H212310 -4.036 0.590 -2.602 2001TIP3 OH212311 -3.400 0.083 -3.377 2001TIP3 H112312 -3.311 0.068 -3.412 2001TIP3 H212313 -3.398 0.030 -3.295 2002TIP3 OH212314 -3.872 -0.286 -3.755 2002TIP3 H112315 -3.915 -0.372 -3.748 2002TIP3 H212316 -3.787 -0.310 -3.795 2003TIP3 OH212317 -3.497 -0.084 -3.151 2003TIP3 H112318 -3.565 -0.016 -3.151 2003TIP3 H212319 -3.438 -0.058 -3.077 2004TIP3 OH212320 -3.478 0.565 -3.961 2004TIP3 H112321 -3.554 0.512 -3.994 2004TIP3 H212322 -3.495 0.567 -3.864 2005TIP3 OH212323 -2.786 0.476 -3.105 2005TIP3 H112324 -2.734 0.522 -3.172 2005TIP3 H212325 -2.870 0.459 -3.152 2006TIP3 OH212326 -3.062 -0.159 -4.188 2006TIP3 H112327 -3.160 -0.163 -4.185 2006TIP3 H212328 -3.039 -0.086 -4.126 2007TIP3 OH212329 -3.319 0.567 -2.838 2007TIP3 H112330 -3.336 0.525 -2.753 2007TIP3 H212331 -3.349 0.658 -2.825 2008TIP3 OH212332 -3.000 0.023 -3.990 2008TIP3 H112333 -2.915 0.005 -3.945 2008TIP3 H212334 -2.983 0.111 -4.030 2009TIP3 OH212335 -3.968 0.500 -3.388 2009TIP3 H112336 -3.907 0.484 -3.463 2009TIP3 H212337 -3.960 0.416 -3.340 2010TIP3 OH212338 -3.235 0.695 -4.073 2010TIP3 H112339 -3.258 0.782 -4.034 2010TIP3 H212340 -3.310 0.642 -4.042 2011TIP3 OH212341 -4.232 0.365 -2.834 2011TIP3 H112342 -4.226 0.299 -2.763 2011TIP3 H212343 -4.286 0.318 -2.901 2012TIP3 OH212344 -3.538 0.278 -2.657 2012TIP3 H112345 -3.563 0.254 -2.747 2012TIP3 H212346 -3.445 0.248 -2.655 2013TIP3 OH212347 -3.086 0.882 -2.881 2013TIP3 H112348 -3.165 0.829 -2.905 2013TIP3 H212349 -3.072 0.851 -2.789 2014TIP3 OH212350 -2.527 0.032 -4.001 2014TIP3 H112351 -2.593 0.015 -4.071 2014TIP3 H212352 -2.516 0.128 -4.016 2015TIP3 OH212353 -2.490 0.641 -2.727 2015TIP3 H112354 -2.586 0.652 -2.746 2015TIP3 H212355 -2.459 0.610 -2.815 2016TIP3 OH212356 -2.698 0.891 -3.988 2016TIP3 H112357 -2.737 0.815 -3.941 2016TIP3 H212358 -2.680 0.852 -4.076 2017TIP3 OH212359 -3.732 0.833 -3.643 2017TIP3 H112360 -3.683 0.914 -3.664 2017TIP3 H212361 -3.818 0.850 -3.682 2018TIP3 OH212362 -4.148 0.308 -4.164 2018TIP3 H112363 -4.077 0.370 -4.138 2018TIP3 H212364 -4.220 0.369 -4.184 2019TIP3 OH212365 -3.544 0.601 -3.693 2019TIP3 H112366 -3.576 0.691 -3.674 2019TIP3 H212367 -3.608 0.546 -3.646 2020TIP3 OH212368 -3.527 1.025 -3.055 2020TIP3 H112369 -3.471 1.103 -3.069 2020TIP3 H212370 -3.470 0.971 -2.997 2021TIP3 OH212371 -3.683 1.120 -3.735 2021TIP3 H112372 -3.778 1.134 -3.725 2021TIP3 H212373 -3.647 1.207 -3.708 2022TIP3 OH212374 -3.173 0.659 -3.080 2022TIP3 H112375 -3.218 0.599 -3.018 2022TIP3 H212376 -3.136 0.594 -3.145 2023TIP3 OH212377 -2.981 0.739 -4.198 2023TIP3 H112378 -2.920 0.698 -4.133 2023TIP3 H212379 -3.066 0.717 -4.156 2024TIP3 OH212380 -2.883 1.058 -2.856 2024TIP3 H112381 -2.959 0.998 -2.875 2024TIP3 H212382 -2.893 1.133 -2.917 2025TIP3 OH212383 -2.478 1.174 -4.153 2025TIP3 H112384 -2.408 1.243 -4.142 2025TIP3 H212385 -2.558 1.226 -4.133 2026TIP3 OH212386 -4.130 -0.231 -2.871 2026TIP3 H112387 -4.167 -0.177 -2.942 2026TIP3 H212388 -4.115 -0.318 -2.909 2027TIP3 OH212389 -2.870 0.592 -3.967 2027TIP3 H112390 -2.898 0.519 -3.909 2027TIP3 H212391 -2.773 0.586 -3.961 2028TIP3 OH212392 -4.130 0.952 -3.046 2028TIP3 H112393 -4.060 0.889 -3.027 2028TIP3 H212394 -4.117 1.017 -2.975 2029TIP3 OH212395 -3.519 0.833 -4.324 2029TIP3 H112396 -3.481 0.749 -4.355 2029TIP3 H212397 -3.576 0.802 -4.251 2030TIP3 OH212398 -3.666 0.786 -4.073 2030TIP3 H112399 -3.612 0.731 -4.015 2030TIP3 H212400 -3.642 0.877 -4.047 2031TIP3 OH212401 -3.987 0.525 -4.043 2031TIP3 H112402 -4.059 0.564 -3.988 2031TIP3 H212403 -3.938 0.605 -4.066 2032TIP3 OH212404 -3.217 -0.225 -3.040 2032TIP3 H112405 -3.152 -0.188 -2.977 2032TIP3 H212406 -3.257 -0.299 -2.990 2033TIP3 OH212407 -3.147 -0.269 -3.922 2033TIP3 H112408 -3.117 -0.216 -3.997 2033TIP3 H212409 -3.100 -0.228 -3.848 2034TIP3 OH212410 -3.374 0.946 -4.023 2034TIP3 H112411 -3.452 1.000 -4.003 2034TIP3 H212412 -3.323 1.006 -4.079 2035TIP3 OH212413 -3.408 -0.076 -3.815 2035TIP3 H112414 -3.328 -0.021 -3.802 2035TIP3 H212415 -3.433 -0.095 -3.722 2036TIP3 OH212416 -3.373 0.008 -2.891 2036TIP3 H112417 -3.355 0.064 -2.815 2036TIP3 H212418 -3.312 -0.066 -2.878 2037TIP3 OH212419 -3.343 -0.376 -3.726 2037TIP3 H112420 -3.360 -0.311 -3.655 2037TIP3 H212421 -3.270 -0.332 -3.773 2038TIP3 OH212422 -3.648 1.066 -4.025 2038TIP3 H112423 -3.645 1.152 -4.072 2038TIP3 H212424 -3.661 1.093 -3.932 2039TIP3 OH212425 -3.773 -0.269 -4.075 2039TIP3 H112426 -3.771 -0.193 -4.014 2039TIP3 H212427 -3.697 -0.321 -4.043 2040TIP3 OH212428 -2.726 -0.206 -2.828 2040TIP3 H112429 -2.806 -0.159 -2.799 2040TIP3 H212430 -2.739 -0.207 -2.924 2041TIP3 OH212431 -2.867 0.199 -3.418 2041TIP3 H112432 -2.962 0.210 -3.401 2041TIP3 H212433 -2.841 0.132 -3.352 2042TIP3 OH212434 -3.934 0.817 -4.153 2042TIP3 H112435 -3.848 0.840 -4.112 2042TIP3 H212436 -3.902 0.770 -4.232 2043TIP3 OH212437 -4.097 0.048 -4.280 2043TIP3 H112438 -4.101 0.130 -4.228 2043TIP3 H212439 -4.189 0.018 -4.283 2044TIP3 OH212440 -2.812 1.094 -3.261 2044TIP3 H112441 -2.802 1.171 -3.320 2044TIP3 H212442 -2.718 1.077 -3.239 2045TIP3 OH212443 -4.030 -0.473 -3.373 2045TIP3 H112444 -4.058 -0.479 -3.466 2045TIP3 H212445 -4.066 -0.556 -3.335 2046TIP3 OH212446 -4.135 0.902 -3.738 2046TIP3 H112447 -4.229 0.925 -3.745 2046TIP3 H212448 -4.102 0.924 -3.826 2047TIP3 OH212449 -4.213 1.166 -2.623 2047TIP3 H112450 -4.149 1.167 -2.549 2047TIP3 H212451 -4.219 1.069 -2.633 2048TIP3 OH212452 -3.722 1.084 -2.453 2048TIP3 H112453 -3.658 1.016 -2.427 2048TIP3 H212454 -3.749 1.051 -2.540 2049TIP3 OH212455 -3.302 1.013 -4.328 2049TIP3 H112456 -3.386 0.962 -4.324 2049TIP3 H212457 -3.242 0.941 -4.353 2050TIP3 OH212458 -3.079 0.908 -2.586 2050TIP3 H112459 -3.118 0.825 -2.553 2050TIP3 H212460 -3.009 0.926 -2.522 2051TIP3 OH212461 -2.797 0.948 4.200 2051TIP3 H112462 -2.865 0.963 4.266 2051TIP3 H212463 -2.729 1.008 4.233 2052TIP3 OH212464 -4.198 0.573 -2.568 2052TIP3 H112465 -4.188 0.479 -2.590 2052TIP3 H212466 -4.291 0.590 -2.590 2053TIP3 OH212467 -3.776 0.591 -4.310 2053TIP3 H112468 -3.760 0.525 -4.241 2053TIP3 H212469 -3.705 0.574 -4.372 2054TIP3 OH212470 -3.542 0.556 -2.582 2054TIP3 H112471 -3.565 0.583 -2.671 2054TIP3 H212472 -3.526 0.460 -2.593 2055TIP3 OH212473 -3.244 0.698 -4.349 2055TIP3 H112474 -3.230 0.706 -4.253 2055TIP3 H212475 -3.180 0.630 -4.374 2056TIP3 OH212476 -3.004 0.519 -2.834 2056TIP3 H112477 -2.926 0.561 -2.873 2056TIP3 H212478 -3.076 0.576 -2.861 2057TIP3 OH212479 -4.134 0.254 -2.595 2057TIP3 H112480 -4.060 0.190 -2.605 2057TIP3 H212481 -4.129 0.267 -2.499 2058TIP3 OH212482 -3.675 0.389 -4.090 2058TIP3 H112483 -3.734 0.342 -4.030 2058TIP3 H212484 -3.638 0.316 -4.143 2059TIP3 OH212485 -3.756 0.161 -2.868 2059TIP3 H112486 -3.797 0.243 -2.834 2059TIP3 H212487 -3.678 0.197 -2.915 2060TIP3 OH212488 -3.554 0.200 -4.277 2060TIP3 H112489 -3.546 0.171 -4.369 2060TIP3 H212490 -3.459 0.196 -4.250 2061TIP3 OH212491 -3.218 0.436 -2.502 2061TIP3 H112492 -3.129 0.417 -2.537 2061TIP3 H212493 -3.243 0.348 -2.469 2062TIP3 OH212494 -3.700 -0.111 -2.741 2062TIP3 H112495 -3.681 -0.176 -2.811 2062TIP3 H212496 -3.707 -0.029 -2.792 2063TIP3 OH212497 -3.656 -0.259 -2.996 2063TIP3 H112498 -3.600 -0.209 -3.059 2063TIP3 H212499 -3.744 -0.257 -3.038 2064TIP3 OH212500 -3.509 0.279 -2.956 2064TIP3 H112501 -3.418 0.265 -2.990 2064TIP3 H212502 -3.528 0.369 -2.988 2065TIP3 OH212503 -2.954 0.370 -2.615 2065TIP3 H112504 -2.971 0.417 -2.700 2065TIP3 H212505 -2.901 0.293 -2.644 2066TIP3 OH212506 -3.885 0.083 -2.581 2066TIP3 H112507 -3.936 0.004 -2.558 2066TIP3 H212508 -3.800 0.046 -2.607 2067TIP3 OH212509 -3.585 -0.529 -2.963 2067TIP3 H112510 -3.601 -0.434 -2.979 2067TIP3 H212511 -3.658 -0.570 -3.015 2068TIP3 OH212512 -3.456 -0.068 -2.580 2068TIP3 H112513 -3.486 -0.095 -2.492 2068TIP3 H212514 -3.534 -0.093 -2.634 2069TIP3 OH212515 -3.207 -0.179 -2.692 2069TIP3 H112516 -3.291 -0.173 -2.645 2069TIP3 H212517 -3.149 -0.225 -2.628 2070TIP3 OH212518 -3.002 -0.334 -2.524 2070TIP3 H112519 -3.040 -0.411 -2.481 2070TIP3 H212520 -2.997 -0.268 -2.453 2071TIP3 OH212521 -4.044 -0.208 -2.584 2071TIP3 H112522 -3.981 -0.266 -2.630 2071TIP3 H212523 -4.031 -0.237 -2.491 2072TIP3 OH212524 -3.599 -0.571 -2.682 2072TIP3 H112525 -3.554 -0.656 -2.671 2072TIP3 H212526 -3.600 -0.563 -2.780 2073TIP3 OH212527 -3.503 -0.391 -2.497 2073TIP3 H112528 -3.534 -0.452 -2.567 2073TIP3 H212529 -3.578 -0.329 -2.490 2074TIP3 OH212530 -3.596 1.315 -4.170 2074TIP3 H112531 -3.499 1.321 -4.164 2074TIP3 H212532 -3.617 1.373 -4.245 2075TIP3 OH212533 -4.190 0.760 -4.236 2075TIP3 H112534 -4.104 0.777 -4.192 2075TIP3 H212535 -4.176 0.674 -4.276 2076TIP3 OH212536 -4.277 1.088 -3.525 2076TIP3 H112537 -4.269 0.995 -3.499 2076TIP3 H212538 -4.243 1.133 -3.446 2077TIP3 OH212539 -2.518 1.207 -3.217 2077TIP3 H112540 -2.497 1.192 -3.124 2077TIP3 H212541 -2.431 1.228 -3.254 2078TIP3 OH212542 -2.527 1.143 -2.934 2078TIP3 H112543 -2.576 1.066 -2.969 2078TIP3 H212544 -2.473 1.099 -2.867 2079TIP3 OH212545 -2.725 0.688 -2.507 2079TIP3 H112546 -2.812 0.687 -2.466 2079TIP3 H212547 -2.681 0.765 -2.468 2080TIP3 OH212548 -2.587 0.570 -3.929 2080TIP3 H112549 -2.496 0.603 -3.915 2080TIP3 H212550 -2.593 0.505 -3.857 2081TIP3 OH212551 -2.542 0.368 -3.732 2081TIP3 H112552 -2.610 0.313 -3.688 2081TIP3 H212553 -2.476 0.382 -3.661 2082TIP3 OH212554 -2.573 0.629 -3.234 2082TIP3 H112555 -2.516 0.570 -3.286 2082TIP3 H212556 -2.548 0.717 -3.265 2083TIP3 OH212557 -2.692 0.923 -3.021 2083TIP3 H112558 -2.760 0.943 -2.955 2083TIP3 H212559 -2.743 0.871 -3.087 2084TIP3 OH212560 -2.510 0.339 -4.109 2084TIP3 H112561 -2.574 0.366 -4.176 2084TIP3 H212562 -2.531 0.402 -4.038 2085TIP3 OH212563 -2.689 0.078 -4.212 2085TIP3 H112564 -2.661 0.149 -4.273 2085TIP3 H212565 -2.660 -0.001 -4.258 2086TIP3 OH212566 -2.741 0.181 -3.651 2086TIP3 H112567 -2.757 0.086 -3.661 2086TIP3 H212568 -2.780 0.196 -3.560 2087TIP3 OH212569 -4.232 0.479 -3.241 2087TIP3 H112570 -4.242 0.454 -3.334 2087TIP3 H212571 -4.176 0.405 -3.208 2088TIP3 OH212572 -2.672 0.386 -2.774 2088TIP3 H112573 -2.629 0.310 -2.729 2088TIP3 H212574 -2.629 0.462 -2.734 2089TIP3 OH212575 -2.553 0.185 -2.632 2089TIP3 H112576 -2.635 0.131 -2.625 2089TIP3 H212577 -2.484 0.117 -2.623 2090TIP3 OH212578 -2.768 -0.222 -4.323 2090TIP3 H112579 -2.708 -0.268 -4.262 2090TIP3 H212580 -2.848 -0.277 -4.321 2091TIP3 OH212581 -2.768 -0.060 -3.839 2091TIP3 H112582 -2.741 -0.154 -3.829 2091TIP3 H212583 -2.686 -0.021 -3.871 2092TIP3 OH212584 -2.736 -0.015 -3.287 2092TIP3 H112585 -2.641 0.007 -3.288 2092TIP3 H212586 -2.756 0.001 -3.193 2093TIP3 OH212587 -2.722 0.062 -3.014 2093TIP3 H112588 -2.803 0.094 -2.969 2093TIP3 H212589 -2.673 0.146 -3.023 2094TIP3 OH212590 -4.294 -0.077 -2.661 2094TIP3 H112591 -4.203 -0.107 -2.640 2094TIP3 H212592 -4.351 -0.124 -2.600 2095TIP3 OH212593 -2.453 -0.518 -2.477 2095TIP3 H112594 -2.427 -0.584 -2.544 2095TIP3 H212595 -2.467 -0.438 -2.531 2096TIP3 OH212596 -2.714 -0.338 -3.831 2096TIP3 H112597 -2.705 -0.371 -3.740 2096TIP3 H212598 -2.790 -0.389 -3.863 2097TIP3 OH212599 -4.196 -0.214 -3.327 2097TIP3 H112600 -4.162 -0.305 -3.331 2097TIP3 H212601 -4.115 -0.162 -3.315 2098TIP3 OH212602 -4.327 0.050 -3.241 2098TIP3 H112603 -4.300 -0.014 -3.309 2098TIP3 H212604 -4.291 0.131 -3.278 2099TIP3 OH212605 -2.542 -0.315 -2.641 2099TIP3 H112606 -2.624 -0.264 -2.645 2099TIP3 H212607 -2.549 -0.361 -2.727 2100TIP3 OH212608 -2.512 -0.299 -4.176 2100TIP3 H112609 -2.485 -0.370 -4.235 2100TIP3 H212610 -2.431 -0.247 -4.168 2101TIP3 OH212611 -4.315 -0.338 -3.895 2101TIP3 H112612 -4.400 -0.314 -3.935 2101TIP3 H212613 -4.257 -0.267 -3.927 2102TIP3 OH212614 -2.830 1.197 -3.649 2102TIP3 H112615 -2.772 1.172 -3.723 2102TIP3 H212616 -2.768 1.244 -3.592 2103TIP3 OH212617 -4.295 -0.423 -3.053 2103TIP3 H112618 -4.363 -0.458 -2.993 2103TIP3 H212619 -4.340 -0.410 -3.137 2104TIP3 OH212620 -4.114 0.900 -2.599 2104TIP3 H112621 -4.185 0.847 -2.637 2104TIP3 H212622 -4.122 0.870 -2.505 2105TIP3 OH212623 -3.807 0.972 -3.002 2105TIP3 H112624 -3.831 1.060 -3.035 2105TIP3 H212625 -3.710 0.977 -3.016 2106TIP3 OH212626 -3.354 1.109 -2.696 2106TIP3 H112627 -3.342 1.085 -2.602 2106TIP3 H212628 -3.266 1.143 -2.719 2107TIP3 OH212629 -3.115 1.237 -2.789 2107TIP3 H112630 -3.048 1.168 -2.782 2107TIP3 H212631 -3.098 1.286 -2.706 2108TIP3 OH212632 -2.628 -0.498 -2.860 2108TIP3 H112633 -2.708 -0.460 -2.899 2108TIP3 H212634 -2.625 -0.587 -2.899 2109TIP3 OH212635 -4.077 1.269 -2.974 2109TIP3 H112636 -4.140 1.326 -3.021 2109TIP3 H212637 -4.098 1.289 -2.882 2110TIP3 OH212638 -3.819 1.245 -3.110 2110TIP3 H112639 -3.905 1.267 -3.069 2110TIP3 H212640 -3.814 1.312 -3.181 2111TIP3 OH212641 -3.291 1.234 -3.152 2111TIP3 H112642 -3.348 1.270 -3.222 2111TIP3 H212643 -3.304 1.302 -3.083 2112TIP3 OH212644 -2.895 1.275 -3.063 2112TIP3 H112645 -2.889 1.373 -3.062 2112TIP3 H212646 -2.827 1.255 -3.131 2113TIP3 OH212647 -4.128 1.152 -3.281 2113TIP3 H112648 -4.137 1.110 -3.194 2113TIP3 H212649 -4.047 1.109 -3.316 2114TIP3 OH212650 -3.911 1.029 -3.420 2114TIP3 H112651 -3.921 0.934 -3.405 2114TIP3 H212652 -3.818 1.044 -3.394 2115TIP3 OH212653 -3.627 1.070 -3.339 2115TIP3 H112654 -3.610 0.978 -3.366 2115TIP3 H212655 -3.623 1.061 -3.243 2116TIP3 OH212656 -3.298 -0.342 -3.413 2116TIP3 H112657 -3.367 -0.409 -3.397 2116TIP3 H212658 -3.235 -0.390 -3.469 2117TIP3 OH212659 -2.801 -0.548 -3.369 2117TIP3 H112660 -2.727 -0.495 -3.402 2117TIP3 H212661 -2.877 -0.506 -3.413 2118TIP3 OH212662 -2.592 -0.431 -3.576 2118TIP3 H112663 -2.520 -0.467 -3.630 2118TIP3 H212664 -2.565 -0.338 -3.565 2119TIP3 OH212665 -4.105 -0.482 -3.657 2119TIP3 H112666 -4.181 -0.513 -3.709 2119TIP3 H212667 -4.045 -0.559 -3.665 2120TIP3 OH212668 -4.179 -0.515 -4.082 2120TIP3 H112669 -4.130 -0.448 -4.133 2120TIP3 H212670 -4.230 -0.461 -4.020 2121TIP3 OH212671 -3.615 -0.486 -3.665 2121TIP3 H112672 -3.525 -0.454 -3.679 2121TIP3 H212673 -3.616 -0.496 -3.568 2122TIP3 OH212674 -3.056 -0.483 -3.525 2122TIP3 H112675 -3.030 -0.497 -3.617 2122TIP3 H212676 -3.094 -0.570 -3.500 2123TIP3 OH212677 -2.948 -0.485 -3.922 2123TIP3 H112678 -3.027 -0.436 -3.950 2123TIP3 H212679 -2.984 -0.576 -3.918 2124TIP3 OH212680 -4.188 1.083 -3.975 2124TIP3 H112681 -4.256 1.069 -4.041 2124TIP3 H212682 -4.181 1.179 -3.974 2125TIP3 OH212683 -4.010 -0.334 -4.231 2125TIP3 H112684 -3.962 -0.400 -4.282 2125TIP3 H212685 -3.939 -0.296 -4.176 2126TIP3 OH212686 -3.503 -0.323 -3.959 2126TIP3 H112687 -3.463 -0.377 -3.889 2126TIP3 H212688 -3.477 -0.235 -3.927 2127TIP3 OH212689 -3.316 1.242 -4.156 2127TIP3 H112690 -3.226 1.276 -4.154 2127TIP3 H212691 -3.313 1.178 -4.230 2128TIP3 OH212692 -2.643 1.159 -3.881 2128TIP3 H112693 -2.661 1.073 -3.925 2128TIP3 H212694 -2.656 1.222 -3.955 2129TIP3 OH212695 -3.863 -0.500 -2.541 2129TIP3 H112696 -3.782 -0.537 -2.579 2129TIP3 H212697 -3.902 -0.579 -2.499 2130TIP3 OH212698 -3.977 1.181 -4.243 2130TIP3 H112699 -4.013 1.209 -4.159 2130TIP3 H212700 -3.914 1.113 -4.219 2131TIP3 OH212701 -3.035 -0.618 -2.515 2131TIP3 H112702 -3.028 -0.644 -2.421 2131TIP3 H212703 -2.944 -0.592 -2.536 2132TIP3 OH212704 -2.694 1.039 -2.642 2132TIP3 H112705 -2.767 1.017 -2.702 2132TIP3 H212706 -2.715 1.132 -2.620 2133TIP3 OH212707 -1.274 0.404 -3.628 2133TIP3 H112708 -1.276 0.500 -3.616 2133TIP3 H212709 -1.352 0.391 -3.684 2134TIP3 OH212710 -1.390 0.349 -3.319 2134TIP3 H112711 -1.390 0.293 -3.240 2134TIP3 H212712 -1.417 0.286 -3.388 2135TIP3 OH212713 -2.141 0.307 -3.155 2135TIP3 H112714 -2.146 0.232 -3.093 2135TIP3 H212715 -2.073 0.361 -3.112 2136TIP3 OH212716 -1.022 0.623 -3.488 2136TIP3 H112717 -1.058 0.551 -3.435 2136TIP3 H212718 -0.991 0.683 -3.419 2137TIP3 OH212719 -2.076 0.772 -3.304 2137TIP3 H112720 -2.101 0.680 -3.328 2137TIP3 H212721 -1.984 0.758 -3.279 2138TIP3 OH212722 -2.375 0.114 -3.765 2138TIP3 H112723 -2.420 0.199 -3.752 2138TIP3 H212724 -2.446 0.061 -3.802 2139TIP3 OH212725 -2.295 0.359 -3.577 2139TIP3 H112726 -2.283 0.274 -3.530 2139TIP3 H212727 -2.212 0.364 -3.627 2140TIP3 OH212728 -1.313 1.160 -3.427 2140TIP3 H112729 -1.257 1.090 -3.466 2140TIP3 H212730 -1.343 1.118 -3.345 2141TIP3 OH212731 -1.540 0.601 -3.264 2141TIP3 H112732 -1.510 0.528 -3.320 2141TIP3 H212733 -1.459 0.614 -3.211 2142TIP3 OH212734 -0.675 -0.247 -3.201 2142TIP3 H112735 -0.651 -0.189 -3.127 2142TIP3 H212736 -0.612 -0.218 -3.269 2143TIP3 OH212737 -1.210 0.034 -3.213 2143TIP3 H112738 -1.198 -0.062 -3.205 2143TIP3 H212739 -1.221 0.044 -3.309 2144TIP3 OH212740 -1.912 -0.166 -3.506 2144TIP3 H112741 -1.900 -0.080 -3.550 2144TIP3 H212742 -1.951 -0.218 -3.579 2145TIP3 OH212743 -1.130 -0.152 -3.675 2145TIP3 H112744 -1.074 -0.194 -3.608 2145TIP3 H212745 -1.064 -0.106 -3.729 2146TIP3 OH212746 -2.243 0.111 -3.455 2146TIP3 H112747 -2.184 0.061 -3.396 2146TIP3 H212748 -2.237 0.058 -3.537 2147TIP3 OH212749 -1.705 0.246 -3.509 2147TIP3 H112750 -1.636 0.191 -3.469 2147TIP3 H212751 -1.757 0.179 -3.558 2148TIP3 OH212752 -0.602 -0.111 -2.952 2148TIP3 H112753 -0.663 -0.040 -2.978 2148TIP3 H212754 -0.618 -0.115 -2.857 2149TIP3 OH212755 -2.033 -0.288 -3.090 2149TIP3 H112756 -2.074 -0.235 -3.160 2149TIP3 H212757 -2.098 -0.275 -3.018 2150TIP3 OH212758 -1.283 0.691 -3.750 2150TIP3 H112759 -1.317 0.665 -3.836 2150TIP3 H212760 -1.331 0.774 -3.733 2151TIP3 OH212761 -1.739 0.502 -3.076 2151TIP3 H112762 -1.814 0.560 -3.051 2151TIP3 H212763 -1.679 0.564 -3.121 2152TIP3 OH212764 -0.945 -0.224 -3.470 2152TIP3 H112765 -0.987 -0.283 -3.405 2152TIP3 H212766 -0.894 -0.165 -3.412 2153TIP3 OH212767 -2.073 -0.082 -3.295 2153TIP3 H112768 -2.009 -0.025 -3.248 2153TIP3 H212769 -2.016 -0.119 -3.365 2154TIP3 OH212770 -1.940 0.689 -3.003 2154TIP3 H112771 -1.947 0.782 -3.033 2154TIP3 H212772 -2.027 0.679 -2.961 2155TIP3 OH212773 -2.309 0.659 -3.919 2155TIP3 H112774 -2.332 0.702 -4.004 2155TIP3 H212775 -2.296 0.734 -3.858 2156TIP3 OH212776 -0.965 0.804 -3.236 2156TIP3 H112777 -1.062 0.815 -3.236 2156TIP3 H212778 -0.937 0.889 -3.276 2157TIP3 OH212779 -0.933 -0.310 -3.085 2157TIP3 H112780 -1.010 -0.270 -3.130 2157TIP3 H212781 -0.860 -0.290 -3.148 2158TIP3 OH212782 -1.620 -0.537 -3.381 2158TIP3 H112783 -1.642 -0.632 -3.384 2158TIP3 H212784 -1.702 -0.499 -3.343 2159TIP3 OH212785 -1.137 0.999 -3.581 2159TIP3 H112786 -1.090 0.919 -3.612 2159TIP3 H212787 -1.067 1.067 -3.594 2160TIP3 OH212788 -0.991 0.786 -3.719 2160TIP3 H112789 -1.041 0.739 -3.788 2160TIP3 H212790 -0.996 0.721 -3.646 2161TIP3 OH212791 -0.840 0.670 -2.871 2161TIP3 H112792 -0.847 0.600 -2.939 2161TIP3 H212793 -0.821 0.749 -2.925 2162TIP3 OH212794 -1.406 0.355 -3.905 2162TIP3 H112795 -1.474 0.416 -3.940 2162TIP3 H212796 -1.334 0.364 -3.970 2163TIP3 OH212797 -1.389 0.180 -4.207 2163TIP3 H112798 -1.321 0.210 -4.144 2163TIP3 H212799 -1.335 0.118 -4.262 2164TIP3 OH212800 -0.659 0.284 -3.076 2164TIP3 H112801 -0.732 0.348 -3.066 2164TIP3 H212802 -0.613 0.319 -3.155 2165TIP3 OH212803 -1.058 0.357 -3.794 2165TIP3 H112804 -1.127 0.377 -3.727 2165TIP3 H212805 -0.999 0.299 -3.742 2166TIP3 OH212806 -1.074 0.211 -2.908 2166TIP3 H112807 -1.068 0.293 -2.857 2166TIP3 H212808 -1.140 0.238 -2.974 2167TIP3 OH212809 -1.897 0.435 -3.617 2167TIP3 H112810 -1.930 0.390 -3.698 2167TIP3 H212811 -1.835 0.369 -3.582 2168TIP3 OH212812 -1.760 0.777 -3.343 2168TIP3 H112813 -1.775 0.734 -3.429 2168TIP3 H212814 -1.682 0.728 -3.310 2169TIP3 OH212815 -1.840 0.315 -3.268 2169TIP3 H112816 -1.781 0.318 -3.346 2169TIP3 H212817 -1.799 0.381 -3.208 2170TIP3 OH212818 -1.248 0.871 -3.206 2170TIP3 H112819 -1.242 0.930 -3.130 2170TIP3 H212820 -1.269 0.785 -3.167 2171TIP3 OH212821 -1.749 0.756 -2.789 2171TIP3 H112822 -1.807 0.812 -2.735 2171TIP3 H212823 -1.812 0.720 -2.854 2172TIP3 OH212824 -1.151 0.303 -4.057 2172TIP3 H112825 -1.109 0.329 -3.972 2172TIP3 H212826 -1.090 0.345 -4.121 2173TIP3 OH212827 -2.066 0.391 -2.875 2173TIP3 H112828 -2.061 0.440 -2.792 2173TIP3 H212829 -2.161 0.369 -2.880 2174TIP3 OH212830 -1.419 0.962 -3.695 2174TIP3 H112831 -1.367 0.987 -3.619 2174TIP3 H212832 -1.465 1.043 -3.719 2175TIP3 OH212833 -1.947 0.969 -2.699 2175TIP3 H112834 -1.957 0.967 -2.796 2175TIP3 H212835 -2.035 0.939 -2.669 2176TIP3 OH212836 -0.809 -0.535 -4.078 2176TIP3 H112837 -0.904 -0.523 -4.055 2176TIP3 H212838 -0.784 -0.444 -4.100 2177TIP3 OH212839 -2.005 0.308 -3.863 2177TIP3 H112840 -2.031 0.383 -3.920 2177TIP3 H212841 -2.073 0.243 -3.886 2178TIP3 OH212842 -0.705 0.895 -4.242 2178TIP3 H112843 -0.672 0.983 -4.218 2178TIP3 H212844 -0.626 0.839 -4.239 2179TIP3 OH212845 -2.399 0.575 -2.990 2179TIP3 H112846 -2.445 0.571 -3.076 2179TIP3 H212847 -2.388 0.479 -2.971 2180TIP3 OH212848 -2.395 0.872 -3.297 2180TIP3 H112849 -2.306 0.835 -3.294 2180TIP3 H212850 -2.397 0.925 -3.217 2181TIP3 OH212851 -0.558 0.929 -2.722 2181TIP3 H112852 -0.567 0.834 -2.738 2181TIP3 H212853 -0.649 0.951 -2.691 2182TIP3 OH212854 -1.494 0.884 -2.826 2182TIP3 H112855 -1.490 0.955 -2.761 2182TIP3 H212856 -1.580 0.842 -2.806 2183TIP3 OH212857 -1.462 1.232 -3.846 2183TIP3 H112858 -1.462 1.242 -3.943 2183TIP3 H212859 -1.456 1.324 -3.815 2184TIP3 OH212860 -2.085 1.147 -3.680 2184TIP3 H112861 -2.066 1.102 -3.595 2184TIP3 H212862 -2.166 1.102 -3.705 2185TIP3 OH212863 -1.137 1.189 -4.146 2185TIP3 H112864 -1.091 1.131 -4.210 2185TIP3 H212865 -1.129 1.137 -4.065 2186TIP3 OH212866 -1.189 1.124 -3.860 2186TIP3 H112867 -1.283 1.136 -3.841 2186TIP3 H212868 -1.167 1.051 -3.799 2187TIP3 OH212869 -0.878 0.068 -2.674 2187TIP3 H112870 -0.930 0.103 -2.747 2187TIP3 H212871 -0.874 -0.027 -2.695 2188TIP3 OH212872 -2.182 0.732 -2.863 2188TIP3 H112873 -2.153 0.682 -2.784 2188TIP3 H212874 -2.255 0.677 -2.897 2189TIP3 OH212875 -1.862 -0.422 -3.289 2189TIP3 H112876 -1.945 -0.429 -3.339 2189TIP3 H212877 -1.885 -0.351 -3.228 2190TIP3 OH212878 -1.424 -0.467 -2.927 2190TIP3 H112879 -1.372 -0.516 -2.861 2190TIP3 H212880 -1.515 -0.498 -2.911 2191TIP3 OH212881 -1.110 -0.085 -2.873 2191TIP3 H112882 -1.169 -0.102 -2.798 2191TIP3 H212883 -1.117 0.012 -2.885 2192TIP3 OH212884 -0.926 0.383 -4.252 2192TIP3 H112885 -0.976 0.369 -4.334 2192TIP3 H212886 -0.897 0.474 -4.266 2193TIP3 OH212887 -1.442 -0.226 -4.216 2193TIP3 H112888 -1.497 -0.222 -4.136 2193TIP3 H212889 -1.487 -0.295 -4.266 2194TIP3 OH212890 -1.876 0.056 -3.148 2194TIP3 H112891 -1.934 0.065 -3.071 2194TIP3 H212892 -1.871 0.147 -3.183 2195TIP3 OH212893 -1.882 0.065 -3.661 2195TIP3 H112894 -1.978 0.053 -3.675 2195TIP3 H212895 -1.848 0.043 -3.750 2196TIP3 OH212896 -1.314 0.118 -3.786 2196TIP3 H112897 -1.355 0.201 -3.818 2196TIP3 H212898 -1.250 0.098 -3.857 2197TIP3 OH212899 -1.402 0.140 -2.647 2197TIP3 H112900 -1.453 0.065 -2.610 2197TIP3 H212901 -1.316 0.127 -2.603 2198TIP3 OH212902 -1.235 0.059 -3.506 2198TIP3 H112903 -1.263 0.116 -3.580 2198TIP3 H212904 -1.215 -0.023 -3.556 2199TIP3 OH212905 -2.138 0.072 -2.966 2199TIP3 H112906 -2.118 0.102 -2.876 2199TIP3 H212907 -2.178 -0.014 -2.948 2200TIP3 OH212908 -1.766 -0.187 -4.313 2200TIP3 H112909 -1.802 -0.213 -4.226 2200TIP3 H212910 -1.842 -0.136 -4.349 2201TIP3 OH212911 -2.453 -0.176 -3.604 2201TIP3 H112912 -2.396 -0.184 -3.525 2201TIP3 H212913 -2.404 -0.223 -3.673 2202TIP3 OH212914 -2.300 -0.138 -4.039 2202TIP3 H112915 -2.244 -0.088 -4.102 2202TIP3 H212916 -2.368 -0.071 -4.017 2203TIP3 OH212917 -1.324 0.228 -3.057 2203TIP3 H112918 -1.281 0.155 -3.108 2203TIP3 H212919 -1.360 0.178 -2.982 2204TIP3 OH212920 -1.605 -0.178 -3.558 2204TIP3 H112921 -1.700 -0.181 -3.535 2204TIP3 H212922 -1.564 -0.197 -3.472 2205TIP3 OH212923 -2.145 -0.054 -3.692 2205TIP3 H112924 -2.230 -0.029 -3.733 2205TIP3 H212925 -2.119 -0.135 -3.741 2206TIP3 OH212926 -1.787 -0.017 -3.923 2206TIP3 H112927 -1.690 -0.010 -3.916 2206TIP3 H212928 -1.810 0.043 -3.996 2207TIP3 OH212929 -1.166 -0.263 -3.257 2207TIP3 H112930 -1.228 -0.263 -3.181 2207TIP3 H212931 -1.225 -0.297 -3.326 2208TIP3 OH212932 -1.929 0.100 -4.159 2208TIP3 H112933 -1.991 0.048 -4.213 2208TIP3 H212934 -1.854 0.113 -4.218 2209TIP3 OH212935 -0.871 1.321 -2.589 2209TIP3 H112936 -0.840 1.358 -2.673 2209TIP3 H212937 -0.797 1.343 -2.530 2210TIP3 OH212938 -2.071 0.583 -2.644 2210TIP3 H112939 -2.008 0.583 -2.569 2210TIP3 H212940 -2.154 0.569 -2.595 2211TIP3 OH212941 -1.503 0.078 -3.375 2211TIP3 H112942 -1.430 0.032 -3.420 2211TIP3 H212943 -1.521 0.017 -3.300 2212TIP3 OH212944 -1.972 -0.282 -3.765 2212TIP3 H112945 -2.028 -0.359 -3.746 2212TIP3 H212946 -1.889 -0.323 -3.793 2213TIP3 OH212947 -1.605 -0.075 -3.152 2213TIP3 H112948 -1.684 -0.019 -3.147 2213TIP3 H212949 -1.557 -0.052 -3.070 2214TIP3 OH212950 -1.592 0.562 -3.961 2214TIP3 H112951 -1.668 0.511 -3.995 2214TIP3 H212952 -1.611 0.566 -3.864 2215TIP3 OH212953 -0.870 0.479 -3.087 2215TIP3 H112954 -0.820 0.532 -3.152 2215TIP3 H212955 -0.955 0.466 -3.132 2216TIP3 OH212956 -1.176 -0.160 -4.185 2216TIP3 H112957 -1.274 -0.164 -4.185 2216TIP3 H212958 -1.155 -0.085 -4.126 2217TIP3 OH212959 -1.425 0.575 -2.829 2217TIP3 H112960 -1.455 0.529 -2.749 2217TIP3 H212961 -1.466 0.662 -2.820 2218TIP3 OH212962 -1.115 0.024 -3.988 2218TIP3 H112963 -1.029 0.006 -3.946 2218TIP3 H212964 -1.100 0.111 -4.029 2219TIP3 OH212965 -2.075 0.503 -3.377 2219TIP3 H112966 -2.022 0.488 -3.457 2219TIP3 H212967 -2.071 0.417 -3.333 2220TIP3 OH212968 -1.348 0.696 -4.069 2220TIP3 H112969 -1.377 0.784 -4.037 2220TIP3 H212970 -1.425 0.642 -4.042 2221TIP3 OH212971 -2.348 0.326 -2.852 2221TIP3 H112972 -2.341 0.282 -2.765 2221TIP3 H212973 -2.420 0.275 -2.894 2222TIP3 OH212974 -1.653 0.285 -2.656 2222TIP3 H112975 -1.689 0.252 -2.740 2222TIP3 H212976 -1.562 0.249 -2.661 2223TIP3 OH212977 -1.201 0.836 -2.885 2223TIP3 H112978 -1.298 0.836 -2.886 2223TIP3 H212979 -1.182 0.843 -2.790 2224TIP3 OH212980 -0.642 0.033 -3.999 2224TIP3 H112981 -0.706 0.015 -4.071 2224TIP3 H212982 -0.632 0.128 -4.016 2225TIP3 OH212983 -0.604 0.636 -2.727 2225TIP3 H112984 -0.699 0.653 -2.744 2225TIP3 H212985 -0.572 0.613 -2.816 2226TIP3 OH212986 -0.823 0.889 -3.990 2226TIP3 H112987 -0.849 0.809 -3.942 2226TIP3 H212988 -0.787 0.854 -4.073 2227TIP3 OH212989 -1.104 0.423 -3.258 2227TIP3 H112990 -1.197 0.404 -3.280 2227TIP3 H212991 -1.060 0.349 -3.305 2228TIP3 OH212992 -1.840 0.829 -3.653 2228TIP3 H112993 -1.799 0.916 -3.666 2228TIP3 H212994 -1.932 0.847 -3.676 2229TIP3 OH212995 -2.233 0.320 -4.200 2229TIP3 H112996 -2.179 0.386 -4.151 2229TIP3 H212997 -2.323 0.340 -4.168 2230TIP3 OH212998 -1.657 0.599 -3.690 2230TIP3 H112999 -1.690 0.689 -3.675 2230TIP3 H213000 -1.727 0.547 -3.648 2231TIP3 OH213001 -1.639 1.022 -3.052 2231TIP3 H113002 -1.582 1.094 -3.085 2231TIP3 H213003 -1.577 0.973 -2.996 2232TIP3 OH213004 -1.796 1.120 -3.733 2232TIP3 H113005 -1.892 1.133 -3.724 2232TIP3 H213006 -1.761 1.207 -3.708 2233TIP3 OH213007 -1.299 0.602 -3.097 2233TIP3 H113008 -1.330 0.572 -3.010 2233TIP3 H213009 -1.227 0.539 -3.116 2234TIP3 OH213010 -1.089 0.716 -4.196 2234TIP3 H113011 -1.036 0.678 -4.124 2234TIP3 H213012 -1.177 0.713 -4.155 2235TIP3 OH213013 -1.010 1.062 -2.853 2235TIP3 H113014 -1.083 1.013 -2.895 2235TIP3 H213015 -1.000 1.139 -2.913 2236TIP3 OH213016 -0.591 1.171 -4.139 2236TIP3 H113017 -0.524 1.242 -4.145 2236TIP3 H213018 -0.673 1.225 -4.131 2237TIP3 OH213019 -2.220 -0.209 -2.894 2237TIP3 H113020 -2.311 -0.178 -2.911 2237TIP3 H213021 -2.236 -0.293 -2.847 2238TIP3 OH213022 -0.985 0.588 -3.967 2238TIP3 H113023 -1.012 0.517 -3.905 2238TIP3 H213024 -0.888 0.585 -3.959 2239TIP3 OH213025 -2.245 0.969 -3.050 2239TIP3 H113026 -2.218 0.877 -3.035 2239TIP3 H213027 -2.222 1.007 -2.965 2240TIP3 OH213028 -1.635 0.832 -4.326 2240TIP3 H113029 -1.596 0.748 -4.355 2240TIP3 H213030 -1.691 0.802 -4.251 2241TIP3 OH213031 -1.781 0.787 -4.074 2241TIP3 H113032 -1.727 0.733 -4.014 2241TIP3 H213033 -1.757 0.878 -4.047 2242TIP3 OH213034 -2.092 0.523 -4.037 2242TIP3 H113035 -2.168 0.564 -3.989 2242TIP3 H213036 -2.045 0.603 -4.067 2243TIP3 OH213037 -1.322 -0.224 -3.037 2243TIP3 H113038 -1.263 -0.196 -2.966 2243TIP3 H213039 -1.373 -0.297 -2.995 2244TIP3 OH213040 -1.263 -0.269 -3.921 2244TIP3 H113041 -1.233 -0.218 -3.998 2244TIP3 H213042 -1.214 -0.227 -3.849 2245TIP3 OH213043 -1.483 0.946 -4.027 2245TIP3 H113044 -1.561 0.998 -4.003 2245TIP3 H213045 -1.431 1.011 -4.076 2246TIP3 OH213046 -1.520 -0.076 -3.815 2246TIP3 H113047 -1.441 -0.020 -3.800 2246TIP3 H213048 -1.549 -0.095 -3.724 2247TIP3 OH213049 -1.478 0.013 -2.901 2247TIP3 H113050 -1.477 0.063 -2.817 2247TIP3 H213051 -1.429 -0.066 -2.875 2248TIP3 OH213052 -1.457 -0.376 -3.724 2248TIP3 H113053 -1.477 -0.308 -3.656 2248TIP3 H213054 -1.386 -0.331 -3.774 2249TIP3 OH213055 -1.763 1.065 -4.025 2249TIP3 H113056 -1.759 1.151 -4.073 2249TIP3 H213057 -1.776 1.093 -3.932 2250TIP3 OH213058 -1.885 -0.269 -4.081 2250TIP3 H113059 -1.894 -0.199 -4.013 2250TIP3 H213060 -1.811 -0.321 -4.044 2251TIP3 OH213061 -0.856 -0.185 -2.811 2251TIP3 H113062 -0.952 -0.173 -2.826 2251TIP3 H213063 -0.830 -0.210 -2.901 2252TIP3 OH213064 -1.003 0.197 -3.409 2252TIP3 H113065 -1.086 0.151 -3.434 2252TIP3 H213066 -0.955 0.126 -3.361 2253TIP3 OH213067 -2.051 0.823 -4.158 2253TIP3 H113068 -1.968 0.847 -4.114 2253TIP3 H213069 -2.016 0.769 -4.231 2254TIP3 OH213070 -2.225 0.038 -4.258 2254TIP3 H113071 -2.213 0.133 -4.239 2254TIP3 H213072 -2.317 0.036 -4.289 2255TIP3 OH213073 -0.905 1.085 -3.267 2255TIP3 H113074 -0.918 1.166 -3.320 2255TIP3 H213075 -0.811 1.095 -3.244 2256TIP3 OH213076 -2.137 -0.469 -3.371 2256TIP3 H113077 -2.159 -0.469 -3.467 2256TIP3 H213078 -2.175 -0.553 -3.340 2257TIP3 OH213079 -2.249 0.892 -3.742 2257TIP3 H113080 -2.334 0.936 -3.729 2257TIP3 H213081 -2.214 0.934 -3.821 2258TIP3 OH213082 -2.312 1.173 -2.629 2258TIP3 H113083 -2.254 1.142 -2.557 2258TIP3 H213084 -2.350 1.087 -2.659 2259TIP3 OH213085 -1.827 1.085 -2.461 2259TIP3 H113086 -1.772 1.010 -2.434 2259TIP3 H213087 -1.868 1.049 -2.542 2260TIP3 OH213088 -1.421 1.015 -4.332 2260TIP3 H113089 -1.501 0.959 -4.326 2260TIP3 H213090 -1.354 0.948 -4.351 2261TIP3 OH213091 -1.199 0.911 -2.581 2261TIP3 H113092 -1.233 0.825 -2.549 2261TIP3 H213093 -1.120 0.922 -2.524 2262TIP3 OH213094 -1.026 0.982 -4.285 2262TIP3 H113095 -0.980 0.911 -4.238 2262TIP3 H213096 -0.954 1.038 -4.321 2263TIP3 OH213097 -2.313 0.546 -2.523 2263TIP3 H113098 -2.308 0.449 -2.537 2263TIP3 H213099 -2.393 0.568 -2.573 2264TIP3 OH213100 -1.888 0.597 -4.306 2264TIP3 H113101 -1.878 0.525 -4.243 2264TIP3 H213102 -1.821 0.575 -4.373 2265TIP3 OH213103 -1.652 0.559 -2.584 2265TIP3 H113104 -1.684 0.583 -2.672 2265TIP3 H213105 -1.642 0.461 -2.592 2266TIP3 OH213106 -1.360 0.696 -4.348 2266TIP3 H113107 -1.342 0.709 -4.253 2266TIP3 H213108 -1.294 0.630 -4.372 2267TIP3 OH213109 -1.117 0.516 -2.843 2267TIP3 H113110 -1.037 0.568 -2.862 2267TIP3 H213111 -1.187 0.582 -2.846 2268TIP3 OH213112 -2.233 0.253 -2.596 2268TIP3 H113113 -2.169 0.179 -2.596 2268TIP3 H213114 -2.239 0.268 -2.500 2269TIP3 OH213115 -1.786 0.386 -4.088 2269TIP3 H113116 -1.849 0.341 -4.030 2269TIP3 H213117 -1.752 0.313 -4.143 2270TIP3 OH213118 -1.863 0.162 -2.855 2270TIP3 H113119 -1.917 0.240 -2.834 2270TIP3 H213120 -1.799 0.199 -2.918 2271TIP3 OH213121 -1.668 0.199 -4.276 2271TIP3 H113122 -1.663 0.171 -4.369 2271TIP3 H213123 -1.573 0.196 -4.251 2272TIP3 OH213124 -1.334 0.438 -2.503 2272TIP3 H113125 -1.244 0.413 -2.530 2272TIP3 H213126 -1.362 0.358 -2.456 2273TIP3 OH213127 -1.803 -0.105 -2.741 2273TIP3 H113128 -1.800 -0.173 -2.811 2273TIP3 H213129 -1.828 -0.025 -2.792 2274TIP3 OH213130 -1.771 -0.262 -2.997 2274TIP3 H113131 -1.721 -0.209 -3.062 2274TIP3 H213132 -1.863 -0.258 -3.032 2275TIP3 OH213133 -1.616 0.285 -2.957 2275TIP3 H113134 -1.533 0.274 -3.005 2275TIP3 H213135 -1.647 0.371 -2.989 2276TIP3 OH213136 -1.158 0.072 -2.474 2276TIP3 H113137 -1.135 -0.022 -2.467 2276TIP3 H213138 -1.071 0.112 -2.482 2277TIP3 OH213139 -1.062 0.357 -2.625 2277TIP3 H113140 -1.096 0.417 -2.695 2277TIP3 H213141 -0.973 0.339 -2.660 2278TIP3 OH213142 -1.980 0.080 -2.556 2278TIP3 H113143 -2.037 0.001 -2.551 2278TIP3 H213144 -1.902 0.045 -2.603 2279TIP3 OH213145 -1.699 -0.528 -2.962 2279TIP3 H113146 -1.717 -0.433 -2.977 2279TIP3 H213147 -1.770 -0.569 -3.015 2280TIP3 OH213148 -1.575 -0.069 -2.582 2280TIP3 H113149 -1.607 -0.094 -2.494 2280TIP3 H213150 -1.654 -0.090 -2.635 2281TIP3 OH213151 -1.319 -0.169 -2.697 2281TIP3 H113152 -1.407 -0.163 -2.654 2281TIP3 H213153 -1.272 -0.228 -2.635 2282TIP3 OH213154 -1.141 -0.310 -2.512 2282TIP3 H113155 -1.151 -0.407 -2.501 2282TIP3 H213156 -1.155 -0.277 -2.421 2283TIP3 OH213157 -2.116 -0.178 -2.576 2283TIP3 H113158 -2.127 -0.250 -2.640 2283TIP3 H213159 -2.139 -0.223 -2.492 2284TIP3 OH213160 -1.716 -0.581 -2.680 2284TIP3 H113161 -1.656 -0.656 -2.674 2284TIP3 H213162 -1.718 -0.564 -2.776 2285TIP3 OH213163 -1.618 -0.391 -2.500 2285TIP3 H113164 -1.653 -0.451 -2.568 2285TIP3 H213165 -1.689 -0.326 -2.489 2286TIP3 OH213166 -1.708 1.312 -4.171 2286TIP3 H113167 -1.612 1.326 -4.162 2286TIP3 H213168 -1.732 1.372 -4.243 2287TIP3 OH213169 -2.323 0.722 -4.195 2287TIP3 H113170 -2.231 0.753 -4.200 2287TIP3 H213171 -2.331 0.664 -4.273 2288TIP3 OH213172 -2.422 1.270 -3.719 2288TIP3 H113173 -2.494 1.233 -3.775 2288TIP3 H213174 -2.414 1.202 -3.650 2289TIP3 OH213175 -2.388 1.075 -3.519 2289TIP3 H113176 -2.412 0.985 -3.490 2289TIP3 H213177 -2.348 1.107 -3.436 2290TIP3 OH213178 -0.631 1.204 -3.218 2290TIP3 H113179 -0.612 1.195 -3.124 2290TIP3 H213180 -0.544 1.228 -3.253 2291TIP3 OH213181 -0.641 1.144 -2.931 2291TIP3 H113182 -0.692 1.069 -2.967 2291TIP3 H213183 -0.585 1.097 -2.867 2292TIP3 OH213184 -0.842 0.688 -2.506 2292TIP3 H113185 -0.924 0.683 -2.454 2292TIP3 H213186 -0.794 0.762 -2.467 2293TIP3 OH213187 -0.700 0.569 -3.930 2293TIP3 H113188 -0.611 0.605 -3.916 2293TIP3 H213189 -0.705 0.506 -3.856 2294TIP3 OH213190 -0.655 0.370 -3.732 2294TIP3 H113191 -0.722 0.315 -3.687 2294TIP3 H213192 -0.587 0.383 -3.663 2295TIP3 OH213193 -0.683 0.623 -3.235 2295TIP3 H113194 -0.620 0.572 -3.289 2295TIP3 H213195 -0.666 0.714 -3.266 2296TIP3 OH213196 -0.812 0.920 -3.010 2296TIP3 H113197 -0.886 0.951 -2.956 2296TIP3 H213198 -0.857 0.880 -3.086 2297TIP3 OH213199 -0.624 0.340 -4.109 2297TIP3 H113200 -0.690 0.365 -4.175 2297TIP3 H213201 -0.645 0.403 -4.039 2298TIP3 OH213202 -0.803 0.077 -4.210 2298TIP3 H113203 -0.780 0.149 -4.272 2298TIP3 H213204 -0.775 -0.001 -4.259 2299TIP3 OH213205 -0.862 0.185 -3.650 2299TIP3 H113206 -0.870 0.090 -3.665 2299TIP3 H213207 -0.899 0.195 -3.560 2300TIP3 OH213208 -2.378 0.413 -3.281 2300TIP3 H113209 -2.352 0.413 -3.375 2300TIP3 H213210 -2.293 0.387 -3.239 2301TIP3 OH213211 -0.801 0.380 -2.744 2301TIP3 H113212 -0.732 0.316 -2.716 2301TIP3 H213213 -0.754 0.464 -2.741 2302TIP3 OH213214 -0.645 0.195 -2.614 2302TIP3 H113215 -0.724 0.139 -2.632 2302TIP3 H213216 -0.574 0.128 -2.615 2303TIP3 OH213217 -0.882 -0.223 -4.324 2303TIP3 H113218 -0.823 -0.268 -4.262 2303TIP3 H213219 -0.964 -0.276 -4.320 2304TIP3 OH213220 -0.882 -0.062 -3.836 2304TIP3 H113221 -0.855 -0.156 -3.829 2304TIP3 H213222 -0.800 -0.023 -3.873 2305TIP3 OH213223 -0.851 -0.003 -3.289 2305TIP3 H113224 -0.753 0.006 -3.290 2305TIP3 H213225 -0.866 -0.001 -3.193 2306TIP3 OH213226 -0.836 0.066 -3.010 2306TIP3 H113227 -0.920 0.104 -2.978 2306TIP3 H213228 -0.782 0.146 -3.026 2307TIP3 OH213229 -2.381 -0.055 -2.642 2307TIP3 H113230 -2.290 -0.088 -2.630 2307TIP3 H213231 -2.434 -0.134 -2.624 2308TIP3 OH213232 -0.571 -0.523 -2.476 2308TIP3 H113233 -0.539 -0.588 -2.541 2308TIP3 H213234 -0.575 -0.441 -2.529 2309TIP3 OH213235 -0.829 -0.338 -3.831 2309TIP3 H113236 -0.816 -0.374 -3.742 2309TIP3 H213237 -0.905 -0.391 -3.862 2310TIP3 OH213238 -2.307 -0.224 -3.365 2310TIP3 H113239 -2.263 -0.309 -3.350 2310TIP3 H213240 -2.242 -0.163 -3.323 2311TIP3 OH213241 -2.451 0.043 -3.253 2311TIP3 H113242 -2.397 0.043 -3.334 2311TIP3 H213243 -2.419 0.121 -3.208 2312TIP3 OH213244 -0.641 -0.316 -2.652 2312TIP3 H113245 -0.727 -0.272 -2.643 2312TIP3 H213246 -0.656 -0.368 -2.733 2313TIP3 OH213247 -0.627 -0.299 -4.176 2313TIP3 H113248 -0.600 -0.371 -4.234 2313TIP3 H213249 -0.544 -0.248 -4.168 2314TIP3 OH213250 -2.404 -0.324 -3.854 2314TIP3 H113251 -2.500 -0.320 -3.870 2314TIP3 H213252 -2.368 -0.262 -3.920 2315TIP3 OH213253 -0.942 1.201 -3.641 2315TIP3 H113254 -0.896 1.177 -3.723 2315TIP3 H213255 -0.871 1.240 -3.589 2316TIP3 OH213256 -2.404 -0.441 -3.038 2316TIP3 H113257 -2.472 -0.454 -2.970 2316TIP3 H213258 -2.451 -0.381 -3.099 2317TIP3 OH213259 -2.202 0.889 -2.562 2317TIP3 H113260 -2.266 0.867 -2.631 2317TIP3 H213261 -2.249 0.862 -2.482 2318TIP3 OH213262 -1.918 0.975 -3.000 2318TIP3 H113263 -1.946 1.061 -3.034 2318TIP3 H213264 -1.822 0.981 -3.018 2319TIP3 OH213265 -1.287 1.227 -2.748 2319TIP3 H113266 -1.244 1.164 -2.809 2319TIP3 H213267 -1.210 1.259 -2.699 2320TIP3 OH213268 -0.753 -0.490 -2.857 2320TIP3 H113269 -0.835 -0.471 -2.906 2320TIP3 H213270 -0.732 -0.580 -2.888 2321TIP3 OH213271 -2.176 1.270 -2.966 2321TIP3 H113272 -2.236 1.332 -3.012 2321TIP3 H213273 -2.213 1.271 -2.878 2322TIP3 OH213274 -1.920 1.250 -3.102 2322TIP3 H113275 -2.007 1.268 -3.062 2322TIP3 H213276 -1.916 1.317 -3.174 2323TIP3 OH213277 -1.462 1.246 -3.154 2323TIP3 H113278 -1.497 1.289 -3.233 2323TIP3 H213279 -1.447 1.323 -3.096 2324TIP3 OH213280 -1.227 1.129 -3.047 2324TIP3 H113281 -1.308 1.154 -3.096 2324TIP3 H213282 -1.164 1.197 -3.076 2325TIP3 OH213283 -0.972 1.293 -3.046 2325TIP3 H113284 -0.972 1.387 -3.071 2325TIP3 H213285 -0.940 1.253 -3.128 2326TIP3 OH213286 -2.221 1.148 -3.271 2326TIP3 H113287 -2.223 1.098 -3.187 2326TIP3 H213288 -2.146 1.103 -3.316 2327TIP3 OH213289 -2.020 1.024 -3.427 2327TIP3 H113290 -2.036 0.931 -3.402 2327TIP3 H213291 -1.928 1.037 -3.397 2328TIP3 OH213292 -1.743 1.070 -3.340 2328TIP3 H113293 -1.725 0.976 -3.362 2328TIP3 H213294 -1.738 1.066 -3.243 2329TIP3 OH213295 -1.411 -0.341 -3.410 2329TIP3 H113296 -1.480 -0.408 -3.394 2329TIP3 H213297 -1.350 -0.388 -3.469 2330TIP3 OH213298 -0.916 -0.540 -3.363 2330TIP3 H113299 -0.840 -0.494 -3.403 2330TIP3 H213300 -0.991 -0.509 -3.417 2331TIP3 OH213301 -0.709 -0.429 -3.578 2331TIP3 H113302 -0.636 -0.470 -3.627 2331TIP3 H213303 -0.677 -0.337 -3.567 2332TIP3 OH213304 -2.174 -0.469 -3.655 2332TIP3 H113305 -2.261 -0.482 -3.698 2332TIP3 H213306 -2.133 -0.556 -3.668 2333TIP3 OH213307 -2.299 -0.514 -4.082 2333TIP3 H113308 -2.239 -0.449 -4.126 2333TIP3 H213309 -2.331 -0.461 -4.007 2334TIP3 OH213310 -1.729 -0.487 -3.666 2334TIP3 H113311 -1.637 -0.457 -3.678 2334TIP3 H213312 -1.733 -0.495 -3.570 2335TIP3 OH213313 -1.169 -0.483 -3.524 2335TIP3 H113314 -1.144 -0.499 -3.616 2335TIP3 H213315 -1.208 -0.569 -3.499 2336TIP3 OH213316 -1.063 -0.484 -3.922 2336TIP3 H113317 -1.143 -0.436 -3.950 2336TIP3 H213318 -1.097 -0.576 -3.917 2337TIP3 OH213319 -2.290 1.075 -3.963 2337TIP3 H113320 -2.359 1.072 -4.031 2337TIP3 H213321 -2.288 1.169 -3.943 2338TIP3 OH213322 -2.129 -0.343 -4.231 2338TIP3 H113323 -2.072 -0.401 -4.282 2338TIP3 H213324 -2.064 -0.292 -4.180 2339TIP3 OH213325 -1.617 -0.325 -3.960 2339TIP3 H113326 -1.578 -0.377 -3.888 2339TIP3 H213327 -1.595 -0.236 -3.928 2340TIP3 OH213328 -1.410 1.240 -4.147 2340TIP3 H113329 -1.313 1.249 -4.152 2340TIP3 H213330 -1.423 1.177 -4.221 2341TIP3 OH213331 -0.756 1.160 -3.880 2341TIP3 H113332 -0.779 1.075 -3.923 2341TIP3 H213333 -0.767 1.223 -3.953 2342TIP3 OH213334 -2.195 -0.446 -2.704 2342TIP3 H113335 -2.238 -0.524 -2.664 2342TIP3 H213336 -2.104 -0.457 -2.672 2343TIP3 OH213337 -1.957 -0.507 -2.526 2343TIP3 H113338 -1.876 -0.544 -2.566 2343TIP3 H213339 -1.994 -0.585 -2.483 2344TIP3 OH213340 -2.088 1.183 -4.233 2344TIP3 H113341 -2.130 1.206 -4.149 2344TIP3 H213342 -2.025 1.114 -4.209 2345TIP3 OH213343 -1.145 -0.594 -2.511 2345TIP3 H113344 -1.145 -0.635 -2.422 2345TIP3 H213345 -1.050 -0.598 -2.534 2346TIP3 OH213346 -0.810 1.037 -2.641 2346TIP3 H113347 -0.884 1.017 -2.701 2346TIP3 H213348 -0.827 1.131 -2.622 2347TIP3 OH213349 0.611 0.404 -3.627 2347TIP3 H113350 0.611 0.501 -3.617 2347TIP3 H213351 0.534 0.390 -3.684 2348TIP3 OH213352 0.494 0.350 -3.319 2348TIP3 H113353 0.495 0.293 -3.240 2348TIP3 H213354 0.470 0.286 -3.388 2349TIP3 OH213355 -0.256 0.308 -3.153 2349TIP3 H113356 -0.259 0.232 -3.092 2349TIP3 H213357 -0.186 0.361 -3.112 2350TIP3 OH213358 0.863 0.623 -3.488 2350TIP3 H113359 0.827 0.551 -3.435 2350TIP3 H213360 0.894 0.683 -3.419 2351TIP3 OH213361 -0.191 0.772 -3.305 2351TIP3 H113362 -0.215 0.680 -3.329 2351TIP3 H213363 -0.099 0.758 -3.278 2352TIP3 OH213364 -0.489 0.113 -3.766 2352TIP3 H113365 -0.533 0.199 -3.752 2352TIP3 H213366 -0.561 0.062 -3.804 2353TIP3 OH213367 -0.410 0.357 -3.579 2353TIP3 H113368 -0.397 0.274 -3.529 2353TIP3 H213369 -0.325 0.366 -3.623 2354TIP3 OH213370 0.573 1.161 -3.431 2354TIP3 H113371 0.629 1.088 -3.464 2354TIP3 H213372 0.541 1.125 -3.347 2355TIP3 OH213373 0.346 0.601 -3.265 2355TIP3 H113374 0.377 0.527 -3.320 2355TIP3 H213375 0.426 0.615 -3.211 2356TIP3 OH213376 1.211 -0.248 -3.200 2356TIP3 H113377 1.236 -0.188 -3.128 2356TIP3 H213378 1.273 -0.219 -3.270 2357TIP3 OH213379 0.676 0.034 -3.213 2357TIP3 H113380 0.688 -0.063 -3.205 2357TIP3 H213381 0.666 0.044 -3.309 2358TIP3 OH213382 -0.028 -0.166 -3.505 2358TIP3 H113383 -0.014 -0.080 -3.550 2358TIP3 H213384 -0.065 -0.218 -3.579 2359TIP3 OH213385 0.755 -0.150 -3.674 2359TIP3 H113386 0.813 -0.194 -3.608 2359TIP3 H213387 0.822 -0.107 -3.730 2360TIP3 OH213388 -0.358 0.108 -3.454 2360TIP3 H113389 -0.296 0.061 -3.396 2360TIP3 H213390 -0.350 0.057 -3.536 2361TIP3 OH213391 0.180 0.246 -3.509 2361TIP3 H113392 0.250 0.192 -3.469 2361TIP3 H213393 0.129 0.179 -3.557 2362TIP3 OH213394 1.284 -0.112 -2.951 2362TIP3 H113395 1.224 -0.040 -2.978 2362TIP3 H213396 1.265 -0.117 -2.857 2363TIP3 OH213397 -0.148 -0.289 -3.091 2363TIP3 H113398 -0.189 -0.235 -3.160 2363TIP3 H213399 -0.213 -0.276 -3.018 2364TIP3 OH213400 0.598 0.688 -3.747 2364TIP3 H113401 0.573 0.668 -3.838 2364TIP3 H213402 0.555 0.773 -3.732 2365TIP3 OH213403 0.146 0.502 -3.077 2365TIP3 H113404 0.071 0.560 -3.051 2365TIP3 H213405 0.207 0.565 -3.121 2366TIP3 OH213406 0.940 -0.224 -3.470 2366TIP3 H113407 0.900 -0.284 -3.405 2366TIP3 H213408 0.992 -0.165 -3.413 2367TIP3 OH213409 -0.188 -0.080 -3.295 2367TIP3 H113410 -0.123 -0.024 -3.247 2367TIP3 H213411 -0.130 -0.118 -3.364 2368TIP3 OH213412 -0.056 0.689 -3.006 2368TIP3 H113413 -0.061 0.783 -3.032 2368TIP3 H213414 -0.142 0.679 -2.960 2369TIP3 OH213415 -0.422 0.659 -3.919 2369TIP3 H113416 -0.447 0.703 -4.003 2369TIP3 H213417 -0.409 0.734 -3.857 2370TIP3 OH213418 0.922 0.805 -3.234 2370TIP3 H113419 0.825 0.816 -3.234 2370TIP3 H213420 0.949 0.889 -3.275 2371TIP3 OH213421 0.953 -0.307 -3.085 2371TIP3 H113422 0.875 -0.270 -3.132 2371TIP3 H213423 1.025 -0.290 -3.148 2372TIP3 OH213424 0.265 -0.537 -3.382 2372TIP3 H113425 0.243 -0.632 -3.385 2372TIP3 H213426 0.184 -0.499 -3.342 2373TIP3 OH213427 0.749 0.998 -3.584 2373TIP3 H113428 0.797 0.918 -3.614 2373TIP3 H213429 0.820 1.066 -3.592 2374TIP3 OH213430 0.892 0.787 -3.717 2374TIP3 H113431 0.850 0.739 -3.789 2374TIP3 H213432 0.890 0.720 -3.645 2375TIP3 OH213433 1.049 0.671 -2.872 2375TIP3 H113434 1.039 0.600 -2.938 2375TIP3 H213435 1.067 0.748 -2.927 2376TIP3 OH213436 0.478 0.352 -3.908 2376TIP3 H113437 0.415 0.418 -3.941 2376TIP3 H213438 0.555 0.365 -3.967 2377TIP3 OH213439 0.474 0.154 -4.196 2377TIP3 H113440 0.540 0.185 -4.132 2377TIP3 H213441 0.527 0.089 -4.248 2378TIP3 OH213442 1.227 0.285 -3.075 2378TIP3 H113443 1.154 0.349 -3.066 2378TIP3 H213444 1.273 0.319 -3.154 2379TIP3 OH213445 0.827 0.356 -3.794 2379TIP3 H113446 0.759 0.376 -3.726 2379TIP3 H213447 0.888 0.299 -3.742 2380TIP3 OH213448 0.812 0.208 -2.910 2380TIP3 H113449 0.816 0.289 -2.856 2380TIP3 H213450 0.745 0.236 -2.975 2381TIP3 OH213451 -0.012 0.434 -3.617 2381TIP3 H113452 -0.042 0.388 -3.698 2381TIP3 H213453 0.051 0.370 -3.580 2382TIP3 OH213454 0.126 0.777 -3.343 2382TIP3 H113455 0.112 0.733 -3.429 2382TIP3 H213456 0.203 0.728 -3.309 2383TIP3 OH213457 0.043 0.318 -3.270 2383TIP3 H113458 0.105 0.318 -3.345 2383TIP3 H213459 0.086 0.380 -3.207 2384TIP3 OH213460 0.641 0.873 -3.205 2384TIP3 H113461 0.642 0.933 -3.128 2384TIP3 H213462 0.617 0.788 -3.165 2385TIP3 OH213463 0.132 0.752 -2.788 2385TIP3 H113464 0.078 0.812 -2.733 2385TIP3 H213465 0.066 0.720 -2.852 2386TIP3 OH213466 0.732 0.308 -4.056 2386TIP3 H113467 0.777 0.330 -3.971 2386TIP3 H213468 0.794 0.346 -4.121 2387TIP3 OH213469 -0.179 0.394 -2.876 2387TIP3 H113470 -0.172 0.441 -2.791 2387TIP3 H213471 -0.273 0.370 -2.878 2388TIP3 OH213472 0.464 0.961 -3.694 2388TIP3 H113473 0.517 0.987 -3.618 2388TIP3 H213474 0.420 1.043 -3.719 2389TIP3 OH213475 -0.062 0.967 -2.701 2389TIP3 H113476 -0.073 0.967 -2.797 2389TIP3 H213477 -0.149 0.938 -2.668 2390TIP3 OH213478 1.078 -0.534 -4.075 2390TIP3 H113479 0.982 -0.523 -4.057 2390TIP3 H213480 1.102 -0.444 -4.102 2391TIP3 OH213481 -0.117 0.306 -3.868 2391TIP3 H113482 -0.145 0.383 -3.919 2391TIP3 H213483 -0.189 0.243 -3.885 2392TIP3 OH213484 1.180 0.884 -4.236 2392TIP3 H113485 1.209 0.976 -4.222 2392TIP3 H213486 1.264 0.836 -4.242 2393TIP3 OH213487 -0.517 0.575 -2.990 2393TIP3 H113488 -0.559 0.571 -3.078 2393TIP3 H213489 -0.500 0.481 -2.971 2394TIP3 OH213490 -0.509 0.870 -3.297 2394TIP3 H113491 -0.418 0.837 -3.293 2394TIP3 H213492 -0.512 0.927 -3.219 2395TIP3 OH213493 1.325 0.930 -2.719 2395TIP3 H113494 1.316 0.834 -2.735 2395TIP3 H213495 1.235 0.951 -2.687 2396TIP3 OH213496 0.393 0.857 -2.839 2396TIP3 H113497 0.397 0.938 -2.787 2396TIP3 H213498 0.303 0.823 -2.815 2397TIP3 OH213499 0.427 1.232 -3.846 2397TIP3 H113500 0.420 1.242 -3.942 2397TIP3 H213501 0.429 1.324 -3.815 2398TIP3 OH213502 -0.198 1.147 -3.680 2398TIP3 H113503 -0.182 1.101 -3.594 2398TIP3 H213504 -0.281 1.105 -3.706 2399TIP3 OH213505 0.734 1.206 -4.103 2399TIP3 H113506 0.782 1.163 -4.174 2399TIP3 H213507 0.743 1.143 -4.028 2400TIP3 OH213508 0.696 1.103 -3.850 2400TIP3 H113509 0.604 1.128 -3.832 2400TIP3 H213510 0.714 1.043 -3.776 2401TIP3 OH213511 1.007 0.065 -2.682 2401TIP3 H113512 0.952 0.105 -2.751 2401TIP3 H213513 1.008 -0.029 -2.709 2402TIP3 OH213514 -0.297 0.732 -2.863 2402TIP3 H113515 -0.267 0.683 -2.783 2402TIP3 H213516 -0.368 0.675 -2.897 2403TIP3 OH213517 0.024 -0.423 -3.289 2403TIP3 H113518 -0.060 -0.430 -3.338 2403TIP3 H213519 0.001 -0.352 -3.227 2404TIP3 OH213520 0.463 -0.466 -2.924 2404TIP3 H113521 0.512 -0.520 -2.859 2404TIP3 H213522 0.371 -0.495 -2.913 2405TIP3 OH213523 0.768 -0.088 -2.867 2405TIP3 H113524 0.717 -0.097 -2.785 2405TIP3 H213525 0.767 0.007 -2.884 2406TIP3 OH213526 0.949 0.384 -4.247 2406TIP3 H113527 0.916 0.359 -4.334 2406TIP3 H213528 0.990 0.469 -4.269 2407TIP3 OH213529 0.442 -0.225 -4.216 2407TIP3 H113530 0.390 -0.225 -4.135 2407TIP3 H213531 0.399 -0.296 -4.265 2408TIP3 OH213532 0.007 0.056 -3.148 2408TIP3 H113533 -0.045 0.067 -3.066 2408TIP3 H213534 0.014 0.149 -3.180 2409TIP3 OH213535 0.003 0.065 -3.661 2409TIP3 H113536 -0.093 0.052 -3.676 2409TIP3 H213537 0.038 0.043 -3.749 2410TIP3 OH213538 0.572 0.117 -3.786 2410TIP3 H113539 0.531 0.200 -3.820 2410TIP3 H213540 0.637 0.098 -3.855 2411TIP3 OH213541 0.470 0.129 -2.620 2411TIP3 H113542 0.424 0.050 -2.587 2411TIP3 H213543 0.559 0.116 -2.581 2412TIP3 OH213544 0.650 0.059 -3.506 2412TIP3 H113545 0.623 0.116 -3.580 2412TIP3 H213546 0.672 -0.023 -3.555 2413TIP3 OH213547 -0.258 0.075 -2.962 2413TIP3 H113548 -0.224 0.101 -2.875 2413TIP3 H213549 -0.289 -0.015 -2.944 2414TIP3 OH213550 0.120 -0.179 -4.311 2414TIP3 H113551 0.086 -0.213 -4.226 2414TIP3 H213552 0.040 -0.137 -4.348 2415TIP3 OH213553 -0.569 -0.178 -3.602 2415TIP3 H113554 -0.510 -0.184 -3.525 2415TIP3 H213555 -0.520 -0.222 -3.673 2416TIP3 OH213556 -0.415 -0.138 -4.040 2416TIP3 H113557 -0.359 -0.088 -4.102 2416TIP3 H213558 -0.482 -0.071 -4.017 2417TIP3 OH213559 0.561 0.227 -3.057 2417TIP3 H113560 0.604 0.155 -3.108 2417TIP3 H213561 0.523 0.177 -2.983 2418TIP3 OH213562 0.280 -0.177 -3.558 2418TIP3 H113563 0.186 -0.183 -3.533 2418TIP3 H213564 0.324 -0.197 -3.473 2419TIP3 OH213565 -0.260 -0.054 -3.693 2419TIP3 H113566 -0.344 -0.030 -3.734 2419TIP3 H213567 -0.234 -0.135 -3.740 2420TIP3 OH213568 0.099 -0.018 -3.926 2420TIP3 H113569 0.195 -0.016 -3.912 2420TIP3 H213570 0.083 0.053 -3.989 2421TIP3 OH213571 0.720 -0.264 -3.257 2421TIP3 H113572 0.657 -0.263 -3.181 2421TIP3 H213573 0.662 -0.297 -3.327 2422TIP3 OH213574 -0.051 0.113 -4.175 2422TIP3 H113575 -0.107 0.044 -4.214 2422TIP3 H213576 0.034 0.098 -4.215 2423TIP3 OH213577 -0.186 0.582 -2.644 2423TIP3 H113578 -0.121 0.584 -2.571 2423TIP3 H213579 -0.268 0.572 -2.592 2424TIP3 OH213580 0.382 0.077 -3.375 2424TIP3 H113581 0.456 0.033 -3.420 2424TIP3 H213582 0.365 0.017 -3.300 2425TIP3 OH213583 -0.087 -0.282 -3.767 2425TIP3 H113584 -0.142 -0.359 -3.746 2425TIP3 H213585 -0.002 -0.322 -3.791 2426TIP3 OH213586 0.280 -0.076 -3.151 2426TIP3 H113587 0.201 -0.020 -3.147 2426TIP3 H213588 0.330 -0.053 -3.071 2427TIP3 OH213589 0.295 0.562 -3.961 2427TIP3 H113590 0.218 0.509 -3.993 2427TIP3 H213591 0.276 0.568 -3.864 2428TIP3 OH213592 1.016 0.479 -3.086 2428TIP3 H113593 1.065 0.532 -3.153 2428TIP3 H213594 0.931 0.466 -3.132 2429TIP3 OH213595 0.710 -0.168 -4.172 2429TIP3 H113596 0.613 -0.162 -4.185 2429TIP3 H213597 0.733 -0.086 -4.124 2430TIP3 OH213598 0.465 0.569 -2.829 2430TIP3 H113599 0.431 0.525 -2.750 2430TIP3 H213600 0.423 0.656 -2.824 2431TIP3 OH213601 0.770 0.028 -3.986 2431TIP3 H113602 0.856 0.006 -3.946 2431TIP3 H213603 0.788 0.113 -4.030 2432TIP3 OH213604 -0.193 0.501 -3.379 2432TIP3 H113605 -0.135 0.489 -3.456 2432TIP3 H213606 -0.182 0.416 -3.332 2433TIP3 OH213607 0.540 0.697 -4.049 2433TIP3 H113608 0.507 0.786 -4.024 2433TIP3 H213609 0.461 0.643 -4.028 2434TIP3 OH213610 -0.466 0.329 -2.849 2434TIP3 H113611 -0.449 0.283 -2.764 2434TIP3 H213612 -0.527 0.268 -2.894 2435TIP3 OH213613 0.221 0.295 -2.639 2435TIP3 H113614 0.174 0.241 -2.704 2435TIP3 H213615 0.299 0.240 -2.620 2436TIP3 OH213616 0.692 0.843 -2.881 2436TIP3 H113617 0.596 0.830 -2.893 2436TIP3 H213618 0.700 0.840 -2.784 2437TIP3 OH213619 1.241 0.034 -3.998 2437TIP3 H113620 1.180 0.014 -4.071 2437TIP3 H213621 1.254 0.129 -4.017 2438TIP3 OH213622 1.284 0.636 -2.724 2438TIP3 H113623 1.189 0.653 -2.742 2438TIP3 H213624 1.316 0.612 -2.814 2439TIP3 OH213625 1.062 0.890 -3.988 2439TIP3 H113626 1.040 0.808 -3.943 2439TIP3 H213627 1.096 0.859 -4.074 2440TIP3 OH213628 0.781 0.423 -3.258 2440TIP3 H113629 0.688 0.404 -3.280 2440TIP3 H213630 0.826 0.349 -3.305 2441TIP3 OH213631 0.045 0.829 -3.656 2441TIP3 H113632 0.087 0.916 -3.665 2441TIP3 H213633 -0.047 0.849 -3.674 2442TIP3 OH213634 -0.348 0.323 -4.203 2442TIP3 H113635 -0.294 0.385 -4.150 2442TIP3 H213636 -0.438 0.340 -4.168 2443TIP3 OH213637 0.227 0.599 -3.694 2443TIP3 H113638 0.197 0.690 -3.675 2443TIP3 H213639 0.160 0.547 -3.647 2444TIP3 OH213640 0.245 1.026 -3.053 2444TIP3 H113641 0.303 1.097 -3.085 2444TIP3 H213642 0.306 0.973 -3.000 2445TIP3 OH213643 0.089 1.118 -3.731 2445TIP3 H113644 -0.007 1.133 -3.725 2445TIP3 H213645 0.123 1.207 -3.708 2446TIP3 OH213646 0.588 0.603 -3.096 2446TIP3 H113647 0.555 0.570 -3.010 2446TIP3 H213648 0.659 0.540 -3.116 2447TIP3 OH213649 0.784 0.720 -4.210 2447TIP3 H113650 0.852 0.698 -4.144 2447TIP3 H213651 0.706 0.714 -4.153 2448TIP3 OH213652 0.862 1.099 -2.823 2448TIP3 H113653 0.796 1.034 -2.857 2448TIP3 H213654 0.880 1.148 -2.906 2449TIP3 OH213655 1.294 1.174 -4.158 2449TIP3 H113656 1.363 1.243 -4.150 2449TIP3 H213657 1.215 1.227 -4.136 2450TIP3 OH213658 -0.334 -0.207 -2.896 2450TIP3 H113659 -0.426 -0.180 -2.914 2450TIP3 H213660 -0.347 -0.289 -2.845 2451TIP3 OH213661 0.900 0.592 -3.966 2451TIP3 H113662 0.873 0.519 -3.907 2451TIP3 H213663 0.997 0.586 -3.961 2452TIP3 OH213664 -0.359 0.969 -3.050 2452TIP3 H113665 -0.330 0.877 -3.034 2452TIP3 H213666 -0.336 1.008 -2.965 2453TIP3 OH213667 0.239 0.828 -4.338 2453TIP3 H113668 0.305 0.757 -4.350 2453TIP3 H213669 0.204 0.808 -4.249 2454TIP3 OH213670 0.109 0.784 -4.083 2454TIP3 H113671 0.156 0.733 -4.015 2454TIP3 H213672 0.125 0.876 -4.052 2455TIP3 OH213673 -0.208 0.527 -4.041 2455TIP3 H113674 -0.285 0.562 -3.990 2455TIP3 H213675 -0.161 0.609 -4.059 2456TIP3 OH213676 0.564 -0.225 -3.039 2456TIP3 H113677 0.623 -0.194 -2.968 2456TIP3 H213678 0.514 -0.298 -2.996 2457TIP3 OH213679 0.617 -0.266 -3.920 2457TIP3 H113680 0.653 -0.224 -4.001 2457TIP3 H213681 0.674 -0.228 -3.851 2458TIP3 OH213682 0.399 0.944 -4.031 2458TIP3 H113683 0.322 0.996 -4.003 2458TIP3 H213684 0.454 1.012 -4.072 2459TIP3 OH213685 0.361 -0.073 -3.815 2459TIP3 H113686 0.443 -0.022 -3.802 2459TIP3 H213687 0.337 -0.095 -3.723 2460TIP3 OH213688 0.414 0.018 -2.901 2460TIP3 H113689 0.402 0.066 -2.817 2460TIP3 H213690 0.456 -0.063 -2.869 2461TIP3 OH213691 0.428 -0.375 -3.725 2461TIP3 H113692 0.410 -0.309 -3.656 2461TIP3 H213693 0.501 -0.332 -3.775 2462TIP3 OH213694 0.129 1.061 -4.024 2462TIP3 H113695 0.120 1.145 -4.075 2462TIP3 H213696 0.108 1.091 -3.934 2463TIP3 OH213697 0.000 -0.268 -4.081 2463TIP3 H113698 -0.007 -0.201 -4.012 2463TIP3 H213699 0.074 -0.323 -4.047 2464TIP3 OH213700 1.027 -0.186 -2.811 2464TIP3 H113701 0.931 -0.176 -2.826 2464TIP3 H213702 1.053 -0.210 -2.901 2465TIP3 OH213703 0.882 0.197 -3.408 2465TIP3 H113704 0.800 0.151 -3.435 2465TIP3 H213705 0.930 0.126 -3.361 2466TIP3 OH213706 -0.172 0.822 -4.159 2466TIP3 H113707 -0.094 0.862 -4.117 2466TIP3 H213708 -0.131 0.772 -4.231 2467TIP3 OH213709 -0.339 0.039 -4.259 2467TIP3 H113710 -0.328 0.133 -4.238 2467TIP3 H213711 -0.431 0.035 -4.288 2468TIP3 OH213712 0.982 1.083 -3.271 2468TIP3 H113713 0.967 1.166 -3.322 2468TIP3 H213714 1.075 1.095 -3.246 2469TIP3 OH213715 -0.255 -0.467 -3.371 2469TIP3 H113716 -0.274 -0.470 -3.467 2469TIP3 H213717 -0.289 -0.553 -3.339 2470TIP3 OH213718 -0.366 0.887 -3.745 2470TIP3 H113719 -0.447 0.936 -3.726 2470TIP3 H213720 -0.331 0.936 -3.820 2471TIP3 OH213721 -0.427 1.173 -2.627 2471TIP3 H113722 -0.367 1.143 -2.556 2471TIP3 H213723 -0.463 1.088 -2.657 2472TIP3 OH213724 0.042 1.079 -2.448 2472TIP3 H113725 0.111 1.013 -2.427 2472TIP3 H213726 0.020 1.053 -2.539 2473TIP3 OH213727 0.470 1.013 -4.331 2473TIP3 H113728 0.387 0.962 -4.325 2473TIP3 H213729 0.531 0.944 -4.363 2474TIP3 OH213730 0.690 0.908 -2.586 2474TIP3 H113731 0.648 0.826 -2.554 2474TIP3 H213732 0.762 0.919 -2.521 2475TIP3 OH213733 0.681 0.820 4.216 2475TIP3 H113734 0.700 0.760 4.290 2475TIP3 H213735 0.770 0.825 4.178 2476TIP3 OH213736 -0.433 0.547 -2.522 2476TIP3 H113737 -0.424 0.452 -2.538 2476TIP3 H213738 -0.505 0.571 -2.583 2477TIP3 OH213739 0.009 0.512 -4.353 2477TIP3 H113740 0.009 0.505 -4.256 2477TIP3 H213741 0.068 0.587 -4.368 2478TIP3 OH213742 0.235 0.560 -2.584 2478TIP3 H113743 0.200 0.582 -2.672 2478TIP3 H213744 0.242 0.462 -2.590 2479TIP3 OH213745 0.494 0.683 -4.313 2479TIP3 H113746 0.522 0.701 -4.221 2479TIP3 H213747 0.570 0.633 -4.346 2480TIP3 OH213748 0.770 0.514 -2.844 2480TIP3 H113749 0.846 0.571 -2.863 2480TIP3 H213750 0.697 0.577 -2.844 2481TIP3 OH213751 -0.339 0.250 -2.598 2481TIP3 H113752 -0.271 0.180 -2.596 2481TIP3 H213753 -0.347 0.271 -2.504 2482TIP3 OH213754 0.099 0.391 -4.084 2482TIP3 H113755 0.037 0.341 -4.028 2482TIP3 H213756 0.122 0.324 -4.151 2483TIP3 OH213757 0.024 0.164 -2.854 2483TIP3 H113758 -0.028 0.242 -2.830 2483TIP3 H213759 0.095 0.202 -2.909 2484TIP3 OH213760 0.205 0.215 -4.318 2484TIP3 H113761 0.240 0.163 -4.393 2484TIP3 H213762 0.284 0.205 -4.260 2485TIP3 OH213763 0.553 0.431 -2.501 2485TIP3 H113764 0.642 0.408 -2.530 2485TIP3 H213765 0.525 0.348 -2.461 2486TIP3 OH213766 0.104 -0.099 -2.723 2486TIP3 H113767 0.102 -0.168 -2.791 2486TIP3 H213768 0.080 -0.019 -2.772 2487TIP3 OH213769 0.112 -0.262 -2.993 2487TIP3 H113770 0.162 -0.206 -3.055 2487TIP3 H213771 0.020 -0.257 -3.027 2488TIP3 OH213772 0.266 0.282 -2.958 2488TIP3 H113773 0.353 0.275 -3.001 2488TIP3 H213774 0.238 0.372 -2.984 2489TIP3 OH213775 0.720 0.073 -2.484 2489TIP3 H113776 0.743 -0.018 -2.465 2489TIP3 H213777 0.805 0.118 -2.471 2490TIP3 OH213778 0.824 0.355 -2.627 2490TIP3 H113779 0.789 0.414 -2.697 2490TIP3 H213780 0.913 0.337 -2.663 2491TIP3 OH213781 -0.086 0.079 -2.559 2491TIP3 H113782 -0.137 0.002 -2.529 2491TIP3 H213783 -0.000 0.037 -2.577 2492TIP3 OH213784 0.190 -0.525 -2.964 2492TIP3 H113785 0.168 -0.430 -2.975 2492TIP3 H213786 0.116 -0.567 -3.013 2493TIP3 OH213787 0.536 -0.167 -2.674 2493TIP3 H113788 0.449 -0.199 -2.646 2493TIP3 H213789 0.595 -0.227 -2.625 2494TIP3 OH213790 0.750 -0.308 -2.521 2494TIP3 H113791 0.735 -0.404 -2.509 2494TIP3 H213792 0.734 -0.271 -2.432 2495TIP3 OH213793 -0.248 -0.184 -2.573 2495TIP3 H113794 -0.242 -0.260 -2.634 2495TIP3 H213795 -0.256 -0.228 -2.487 2496TIP3 OH213796 0.174 -0.590 -2.673 2496TIP3 H113797 0.240 -0.662 -2.668 2496TIP3 H213798 0.178 -0.567 -2.768 2497TIP3 OH213799 0.274 -0.367 -2.533 2497TIP3 H113800 0.238 -0.451 -2.565 2497TIP3 H213801 0.196 -0.320 -2.505 2498TIP3 OH213802 0.180 1.314 -4.172 2498TIP3 H113803 0.276 1.325 -4.164 2498TIP3 H213804 0.156 1.373 -4.245 2499TIP3 OH213805 -0.439 0.716 -4.197 2499TIP3 H113806 -0.350 0.755 -4.197 2499TIP3 H213807 -0.442 0.665 -4.279 2500TIP3 OH213808 -0.539 1.273 -3.717 2500TIP3 H113809 -0.607 1.234 -3.776 2500TIP3 H213810 -0.529 1.202 -3.650 2501TIP3 OH213811 -0.500 1.073 -3.520 2501TIP3 H113812 -0.527 0.985 -3.489 2501TIP3 H213813 -0.463 1.107 -3.436 2502TIP3 OH213814 1.255 1.205 -3.219 2502TIP3 H113815 1.275 1.196 -3.125 2502TIP3 H213816 1.342 1.226 -3.256 2503TIP3 OH213817 1.243 1.148 -2.927 2503TIP3 H113818 1.192 1.075 -2.966 2503TIP3 H213819 1.303 1.097 -2.869 2504TIP3 OH213820 1.048 0.684 -2.505 2504TIP3 H113821 0.962 0.680 -2.461 2504TIP3 H213822 1.092 0.760 -2.463 2505TIP3 OH213823 1.183 0.571 -3.929 2505TIP3 H113824 1.273 0.606 -3.919 2505TIP3 H213825 1.181 0.506 -3.856 2506TIP3 OH213826 1.230 0.372 -3.731 2506TIP3 H113827 1.164 0.315 -3.687 2506TIP3 H213828 1.299 0.383 -3.663 2507TIP3 OH213829 1.204 0.623 -3.234 2507TIP3 H113830 1.265 0.571 -3.289 2507TIP3 H213831 1.220 0.714 -3.267 2508TIP3 OH213832 1.064 0.927 -3.005 2508TIP3 H113833 0.986 0.942 -2.952 2508TIP3 H213834 1.026 0.886 -3.085 2509TIP3 OH213835 1.258 0.336 -4.106 2509TIP3 H113836 1.199 0.367 -4.177 2509TIP3 H213837 1.241 0.405 -4.039 2510TIP3 OH213838 1.082 0.078 -4.213 2510TIP3 H113839 1.113 0.148 -4.272 2510TIP3 H213840 1.113 -0.001 -4.258 2511TIP3 OH213841 1.023 0.185 -3.650 2511TIP3 H113842 1.016 0.090 -3.667 2511TIP3 H213843 0.986 0.194 -3.560 2512TIP3 OH213844 -0.491 0.409 -3.280 2512TIP3 H113845 -0.464 0.412 -3.373 2512TIP3 H213846 -0.405 0.386 -3.238 2513TIP3 OH213847 1.085 0.380 -2.742 2513TIP3 H113848 1.155 0.317 -2.716 2513TIP3 H213849 1.132 0.465 -2.741 2514TIP3 OH213850 1.238 0.192 -2.616 2514TIP3 H113851 1.161 0.136 -2.639 2514TIP3 H213852 1.310 0.126 -2.616 2515TIP3 OH213853 1.003 -0.220 -4.320 2515TIP3 H113854 1.064 -0.269 -4.265 2515TIP3 H213855 0.923 -0.276 -4.321 2516TIP3 OH213856 1.004 -0.061 -3.836 2516TIP3 H113857 1.031 -0.156 -3.829 2516TIP3 H213858 1.085 -0.023 -3.873 2517TIP3 OH213859 1.035 -0.003 -3.289 2517TIP3 H113860 1.132 0.007 -3.291 2517TIP3 H213861 1.020 -0.001 -3.193 2518TIP3 OH213862 1.049 0.066 -3.008 2518TIP3 H113863 0.965 0.105 -2.980 2518TIP3 H213864 1.103 0.145 -3.026 2519TIP3 OH213865 -0.497 -0.057 -2.643 2519TIP3 H113866 -0.404 -0.083 -2.629 2519TIP3 H213867 -0.542 -0.142 -2.628 2520TIP3 OH213868 1.302 -0.514 -2.468 2520TIP3 H113869 1.349 -0.579 -2.523 2520TIP3 H213870 1.316 -0.431 -2.518 2521TIP3 OH213871 1.056 -0.337 -3.830 2521TIP3 H113872 1.069 -0.374 -3.741 2521TIP3 H213873 0.981 -0.391 -3.863 2522TIP3 OH213874 -0.422 -0.224 -3.362 2522TIP3 H113875 -0.377 -0.309 -3.350 2522TIP3 H213876 -0.355 -0.164 -3.324 2523TIP3 OH213877 -0.569 0.044 -3.257 2523TIP3 H113878 -0.509 0.040 -3.333 2523TIP3 H213879 -0.532 0.118 -3.208 2524TIP3 OH213880 1.248 -0.313 -2.658 2524TIP3 H113881 1.160 -0.273 -2.649 2524TIP3 H213882 1.233 -0.371 -2.735 2525TIP3 OH213883 1.260 -0.300 -4.175 2525TIP3 H113884 1.286 -0.370 -4.236 2525TIP3 H213885 1.341 -0.247 -4.170 2526TIP3 OH213886 -0.519 -0.323 -3.853 2526TIP3 H113887 -0.614 -0.320 -3.871 2526TIP3 H213888 -0.482 -0.262 -3.920 2527TIP3 OH213889 0.943 1.202 -3.642 2527TIP3 H113890 0.991 1.174 -3.721 2527TIP3 H213891 1.014 1.240 -3.588 2528TIP3 OH213892 -0.515 -0.437 -3.038 2528TIP3 H113893 -0.583 -0.460 -2.973 2528TIP3 H213894 -0.567 -0.383 -3.100 2529TIP3 OH213895 -0.316 0.885 -2.566 2529TIP3 H113896 -0.385 0.869 -2.631 2529TIP3 H213897 -0.360 0.866 -2.483 2530TIP3 OH213898 -0.032 0.973 -3.001 2530TIP3 H113899 -0.061 1.059 -3.034 2530TIP3 H213900 0.064 0.981 -3.017 2531TIP3 OH213901 0.455 1.142 -2.702 2531TIP3 H113902 0.443 1.101 -2.615 2531TIP3 H213903 0.547 1.119 -2.722 2532TIP3 OH213904 1.131 -0.491 -2.856 2532TIP3 H113905 1.050 -0.473 -2.907 2532TIP3 H213906 1.154 -0.581 -2.888 2533TIP3 OH213907 -0.293 1.269 -2.967 2533TIP3 H113908 -0.352 1.332 -3.010 2533TIP3 H213909 -0.327 1.271 -2.876 2534TIP3 OH213910 -0.042 1.248 -3.108 2534TIP3 H113911 -0.127 1.265 -3.064 2534TIP3 H213912 -0.040 1.316 -3.177 2535TIP3 OH213913 0.427 1.242 -3.159 2535TIP3 H113914 0.389 1.291 -3.235 2535TIP3 H213915 0.436 1.312 -3.093 2536TIP3 OH213916 0.656 1.127 -3.047 2536TIP3 H113917 0.574 1.156 -3.092 2536TIP3 H213918 0.716 1.200 -3.068 2537TIP3 OH213919 0.915 1.290 -3.046 2537TIP3 H113920 0.915 1.385 -3.069 2537TIP3 H213921 0.945 1.252 -3.131 2538TIP3 OH213922 -0.336 1.148 -3.272 2538TIP3 H113923 -0.337 1.099 -3.186 2538TIP3 H213924 -0.261 1.104 -3.316 2539TIP3 OH213925 -0.134 1.024 -3.427 2539TIP3 H113926 -0.150 0.930 -3.401 2539TIP3 H213927 -0.043 1.038 -3.397 2540TIP3 OH213928 0.142 1.070 -3.340 2540TIP3 H113929 0.160 0.977 -3.361 2540TIP3 H213930 0.148 1.067 -3.243 2541TIP3 OH213931 0.474 -0.340 -3.412 2541TIP3 H113932 0.405 -0.408 -3.395 2541TIP3 H213933 0.536 -0.389 -3.469 2542TIP3 OH213934 0.969 -0.539 -3.362 2542TIP3 H113935 1.046 -0.495 -3.404 2542TIP3 H213936 0.895 -0.509 -3.417 2543TIP3 OH213937 1.177 -0.429 -3.576 2543TIP3 H113938 1.249 -0.470 -3.627 2543TIP3 H213939 1.209 -0.337 -3.567 2544TIP3 OH213940 -0.289 -0.469 -3.655 2544TIP3 H113941 -0.376 -0.483 -3.697 2544TIP3 H213942 -0.247 -0.556 -3.667 2545TIP3 OH213943 -0.414 -0.513 -4.082 2545TIP3 H113944 -0.354 -0.450 -4.126 2545TIP3 H213945 -0.445 -0.461 -4.006 2546TIP3 OH213946 0.155 -0.485 -3.665 2546TIP3 H113947 0.247 -0.457 -3.680 2546TIP3 H213948 0.154 -0.495 -3.569 2547TIP3 OH213949 0.716 -0.483 -3.524 2547TIP3 H113950 0.742 -0.498 -3.616 2547TIP3 H213951 0.678 -0.569 -3.499 2548TIP3 OH213952 0.821 -0.484 -3.920 2548TIP3 H113953 0.743 -0.439 -3.954 2548TIP3 H213954 0.789 -0.576 -3.916 2549TIP3 OH213955 -0.405 1.071 -3.957 2549TIP3 H113956 -0.477 1.074 -4.023 2549TIP3 H213957 -0.389 1.166 -3.945 2550TIP3 OH213958 -0.243 -0.342 -4.230 2550TIP3 H113959 -0.188 -0.402 -4.282 2550TIP3 H213960 -0.176 -0.294 -4.179 2551TIP3 OH213961 0.267 -0.324 -3.959 2551TIP3 H113962 0.308 -0.378 -3.890 2551TIP3 H213963 0.293 -0.236 -3.927 2552TIP3 OH213964 0.463 1.241 -4.146 2552TIP3 H113965 0.560 1.254 -4.138 2552TIP3 H213966 0.461 1.181 -4.222 2553TIP3 OH213967 1.138 1.155 -3.880 2553TIP3 H113968 1.111 1.071 -3.923 2553TIP3 H213969 1.112 1.221 -3.948 2554TIP3 OH213970 -0.319 -0.448 -2.712 2554TIP3 H113971 -0.359 -0.525 -2.670 2554TIP3 H213972 -0.226 -0.459 -2.682 2555TIP3 OH213973 -0.084 -0.517 -2.560 2555TIP3 H113974 0.004 -0.545 -2.591 2555TIP3 H213975 -0.093 -0.569 -2.479 2556TIP3 OH213976 -0.166 1.193 -4.192 2556TIP3 H113977 -0.257 1.211 -4.164 2556TIP3 H213978 -0.167 1.106 -4.232 2557TIP3 OH213979 0.741 -0.592 -2.507 2557TIP3 H113980 0.738 -0.629 -2.418 2557TIP3 H213981 0.836 -0.598 -2.529 2558TIP3 OH213982 1.078 1.051 -2.640 2558TIP3 H113983 1.002 1.036 -2.699 2558TIP3 H213984 1.094 1.146 -2.648 2559TIP3 OH213985 2.497 0.405 -3.628 2559TIP3 H113986 2.495 0.501 -3.617 2559TIP3 H213987 2.421 0.390 -3.685 2560TIP3 OH213988 2.382 0.349 -3.319 2560TIP3 H113989 2.381 0.292 -3.241 2560TIP3 H213990 2.355 0.287 -3.389 2561TIP3 OH213991 1.628 0.308 -3.153 2561TIP3 H113992 1.627 0.232 -3.091 2561TIP3 H213993 1.700 0.361 -3.115 2562TIP3 OH213994 2.751 0.624 -3.488 2562TIP3 H113995 2.713 0.552 -3.437 2562TIP3 H213996 2.778 0.684 -3.418 2563TIP3 OH213997 1.694 0.771 -3.302 2563TIP3 H113998 1.671 0.680 -3.328 2563TIP3 H213999 1.788 0.759 -3.281 2564TIP3 OH214000 1.394 0.112 -3.761 2564TIP3 H114001 1.353 0.199 -3.754 2564TIP3 H214002 1.326 0.062 -3.808 2565TIP3 OH214003 1.476 0.358 -3.577 2565TIP3 H114004 1.490 0.273 -3.530 2565TIP3 H214005 1.558 0.366 -3.627 2566TIP3 OH214006 2.458 1.161 -3.430 2566TIP3 H114007 2.514 1.088 -3.464 2566TIP3 H214008 2.428 1.124 -3.346 2567TIP3 OH214009 2.230 0.600 -3.263 2567TIP3 H114010 2.262 0.528 -3.321 2567TIP3 H214011 2.312 0.614 -3.211 2568TIP3 OH214012 3.097 -0.246 -3.202 2568TIP3 H114013 3.124 -0.187 -3.130 2568TIP3 H214014 3.162 -0.221 -3.271 2569TIP3 OH214015 2.560 0.034 -3.213 2569TIP3 H114016 2.574 -0.062 -3.206 2569TIP3 H214017 2.551 0.045 -3.309 2570TIP3 OH214018 1.857 -0.166 -3.505 2570TIP3 H114019 1.872 -0.081 -3.550 2570TIP3 H214020 1.822 -0.218 -3.579 2571TIP3 OH214021 2.641 -0.150 -3.674 2571TIP3 H114022 2.699 -0.193 -3.607 2571TIP3 H214023 2.707 -0.107 -3.730 2572TIP3 OH214024 1.527 0.108 -3.454 2572TIP3 H114025 1.589 0.060 -3.397 2572TIP3 H214026 1.535 0.059 -3.537 2573TIP3 OH214027 2.065 0.246 -3.508 2573TIP3 H114028 2.135 0.191 -3.469 2573TIP3 H214029 2.015 0.179 -3.559 2574TIP3 OH214030 3.171 -0.109 -2.951 2574TIP3 H114031 3.109 -0.040 -2.979 2574TIP3 H214032 3.149 -0.116 -2.857 2575TIP3 OH214033 1.738 -0.287 -3.090 2575TIP3 H114034 1.697 -0.236 -3.161 2575TIP3 H214035 1.673 -0.275 -3.018 2576TIP3 OH214036 2.488 0.691 -3.750 2576TIP3 H114037 2.456 0.666 -3.838 2576TIP3 H214038 2.440 0.774 -3.733 2577TIP3 OH214039 2.032 0.502 -3.076 2577TIP3 H114040 1.958 0.561 -3.052 2577TIP3 H214041 2.093 0.563 -3.121 2578TIP3 OH214042 2.825 -0.224 -3.470 2578TIP3 H114043 2.786 -0.285 -3.406 2578TIP3 H214044 2.878 -0.166 -3.413 2579TIP3 OH214045 1.698 -0.081 -3.295 2579TIP3 H114046 1.763 -0.025 -3.249 2579TIP3 H214047 1.755 -0.119 -3.366 2580TIP3 OH214048 1.830 0.689 -3.003 2580TIP3 H114049 1.825 0.781 -3.034 2580TIP3 H214050 1.743 0.681 -2.960 2581TIP3 OH214051 1.457 0.659 -3.918 2581TIP3 H114052 1.442 0.700 -4.006 2581TIP3 H214053 1.475 0.735 -3.859 2582TIP3 OH214054 2.806 0.804 -3.237 2582TIP3 H114055 2.709 0.815 -3.236 2582TIP3 H214056 2.833 0.890 -3.275 2583TIP3 OH214057 2.840 -0.306 -3.085 2583TIP3 H114058 2.762 -0.270 -3.131 2583TIP3 H214059 2.911 -0.290 -3.149 2584TIP3 OH214060 2.152 -0.537 -3.381 2584TIP3 H114061 2.129 -0.632 -3.385 2584TIP3 H214062 2.070 -0.499 -3.342 2585TIP3 OH214063 2.635 0.998 -3.580 2585TIP3 H114064 2.682 0.918 -3.612 2585TIP3 H214065 2.703 1.067 -3.594 2586TIP3 OH214066 2.781 0.785 -3.720 2586TIP3 H114067 2.730 0.739 -3.788 2586TIP3 H214068 2.776 0.722 -3.646 2587TIP3 OH214069 2.936 0.667 -2.871 2587TIP3 H114070 2.924 0.601 -2.942 2587TIP3 H214071 2.948 0.749 -2.922 2588TIP3 OH214072 2.365 0.356 -3.904 2588TIP3 H114073 2.297 0.415 -3.941 2588TIP3 H214074 2.436 0.363 -3.970 2589TIP3 OH214075 2.383 0.178 -4.206 2589TIP3 H114076 2.452 0.210 -4.145 2589TIP3 H214077 2.436 0.118 -4.262 2590TIP3 OH214078 3.112 0.285 -3.076 2590TIP3 H114079 3.039 0.349 -3.068 2590TIP3 H214080 3.158 0.318 -3.155 2591TIP3 OH214081 2.714 0.358 -3.794 2591TIP3 H114082 2.644 0.377 -3.727 2591TIP3 H214083 2.772 0.299 -3.742 2592TIP3 OH214084 2.697 0.211 -2.910 2592TIP3 H114085 2.701 0.293 -2.858 2592TIP3 H214086 2.631 0.238 -2.976 2593TIP3 OH214087 1.872 0.434 -3.616 2593TIP3 H114088 1.841 0.391 -3.698 2593TIP3 H214089 1.937 0.369 -3.583 2594TIP3 OH214090 2.009 0.775 -3.342 2594TIP3 H114091 1.997 0.736 -3.429 2594TIP3 H214092 2.088 0.728 -3.310 2595TIP3 OH214093 1.930 0.315 -3.267 2595TIP3 H114094 1.987 0.317 -3.346 2595TIP3 H214095 1.972 0.381 -3.208 2596TIP3 OH214096 2.525 0.867 -3.209 2596TIP3 H114097 2.528 0.932 -3.137 2596TIP3 H214098 2.503 0.784 -3.163 2597TIP3 OH214099 2.015 0.748 -2.783 2597TIP3 H114100 1.962 0.814 -2.736 2597TIP3 H214101 1.952 0.719 -2.852 2598TIP3 OH214102 2.621 0.303 -4.057 2598TIP3 H114103 2.663 0.328 -3.972 2598TIP3 H214104 2.680 0.346 -4.121 2599TIP3 OH214105 1.708 0.390 -2.874 2599TIP3 H114106 1.712 0.443 -2.792 2599TIP3 H214107 1.613 0.370 -2.878 2600TIP3 OH214108 2.353 0.961 -3.694 2600TIP3 H114109 2.404 0.989 -3.617 2600TIP3 H214110 2.306 1.042 -3.721 2601TIP3 OH214111 1.825 0.967 -2.701 2601TIP3 H114112 1.814 0.969 -2.798 2601TIP3 H214113 1.737 0.938 -2.670 2602TIP3 OH214114 2.964 -0.533 -4.075 2602TIP3 H114115 2.868 -0.523 -4.056 2602TIP3 H214116 2.987 -0.443 -4.102 2603TIP3 OH214117 1.763 0.309 -3.860 2603TIP3 H114118 1.742 0.384 -3.920 2603TIP3 H214119 1.699 0.243 -3.889 2604TIP3 OH214120 3.072 0.903 -4.253 2604TIP3 H114121 3.098 0.982 -4.204 2604TIP3 H214122 3.142 0.838 -4.235 2605TIP3 OH214123 1.369 0.575 -2.990 2605TIP3 H114124 1.326 0.573 -3.077 2605TIP3 H214125 1.385 0.480 -2.973 2606TIP3 OH214126 1.376 0.870 -3.296 2606TIP3 H114127 1.467 0.837 -3.294 2606TIP3 H214128 1.375 0.928 -3.219 2607TIP3 OH214129 3.214 0.929 -2.721 2607TIP3 H114130 3.203 0.834 -2.737 2607TIP3 H214131 3.123 0.952 -2.691 2608TIP3 OH214132 2.279 0.852 -2.839 2608TIP3 H114133 2.286 0.934 -2.787 2608TIP3 H214134 2.188 0.822 -2.817 2609TIP3 OH214135 2.308 1.232 -3.846 2609TIP3 H114136 2.309 1.239 -3.943 2609TIP3 H214137 2.316 1.325 -3.817 2610TIP3 OH214138 1.686 1.148 -3.679 2610TIP3 H114139 1.705 1.102 -3.595 2610TIP3 H214140 1.605 1.102 -3.707 2611TIP3 OH214141 2.641 1.191 -4.143 2611TIP3 H114142 2.683 1.132 -4.210 2611TIP3 H214143 2.639 1.133 -4.066 2612TIP3 OH214144 2.583 1.124 -3.857 2612TIP3 H114145 2.487 1.135 -3.843 2612TIP3 H214146 2.602 1.050 -3.798 2613TIP3 OH214147 2.894 0.066 -2.679 2613TIP3 H114148 2.841 0.104 -2.751 2613TIP3 H214149 2.898 -0.028 -2.705 2614TIP3 OH214150 1.587 0.733 -2.863 2614TIP3 H114151 1.617 0.683 -2.784 2614TIP3 H214152 1.516 0.676 -2.898 2615TIP3 OH214153 1.910 -0.423 -3.289 2615TIP3 H114154 1.827 -0.429 -3.340 2615TIP3 H214155 1.887 -0.350 -3.229 2616TIP3 OH214156 2.349 -0.468 -2.924 2616TIP3 H114157 2.400 -0.520 -2.859 2616TIP3 H214158 2.258 -0.500 -2.910 2617TIP3 OH214159 2.662 -0.085 -2.872 2617TIP3 H114160 2.602 -0.102 -2.798 2617TIP3 H214161 2.654 0.011 -2.887 2618TIP3 OH214162 2.848 0.384 -4.251 2618TIP3 H114163 2.794 0.366 -4.330 2618TIP3 H214164 2.874 0.475 -4.270 2619TIP3 OH214165 2.329 -0.226 -4.216 2619TIP3 H114166 2.273 -0.222 -4.137 2619TIP3 H214167 2.285 -0.294 -4.267 2620TIP3 OH214168 1.895 0.056 -3.149 2620TIP3 H114169 1.838 0.067 -3.071 2620TIP3 H214170 1.902 0.147 -3.183 2621TIP3 OH214171 1.890 0.064 -3.660 2621TIP3 H114172 1.794 0.054 -3.677 2621TIP3 H214173 1.925 0.044 -3.750 2622TIP3 OH214174 2.458 0.119 -3.785 2622TIP3 H114175 2.417 0.201 -3.819 2622TIP3 H214176 2.521 0.098 -3.856 2623TIP3 OH214177 2.369 0.141 -2.646 2623TIP3 H114178 2.318 0.065 -2.611 2623TIP3 H214179 2.456 0.127 -2.605 2624TIP3 OH214180 2.536 0.059 -3.506 2624TIP3 H114181 2.508 0.116 -3.580 2624TIP3 H214182 2.557 -0.022 -3.555 2625TIP3 OH214183 1.628 0.074 -2.963 2625TIP3 H114184 1.660 0.100 -2.876 2625TIP3 H214185 1.595 -0.016 -2.945 2626TIP3 OH214186 2.002 -0.189 -4.314 2626TIP3 H114187 1.966 -0.214 -4.227 2626TIP3 H214188 1.928 -0.135 -4.349 2627TIP3 OH214189 1.314 -0.181 -3.600 2627TIP3 H114190 1.376 -0.184 -3.525 2627TIP3 H214191 1.364 -0.219 -3.674 2628TIP3 OH214192 1.472 -0.137 -4.037 2628TIP3 H114193 1.527 -0.089 -4.102 2628TIP3 H214194 1.404 -0.070 -4.018 2629TIP3 OH214195 2.447 0.227 -3.057 2629TIP3 H114196 2.490 0.155 -3.109 2629TIP3 H214197 2.411 0.178 -2.982 2630TIP3 OH214198 2.166 -0.178 -3.557 2630TIP3 H114199 2.072 -0.182 -3.534 2630TIP3 H214200 2.208 -0.197 -3.471 2631TIP3 OH214201 1.623 -0.056 -3.689 2631TIP3 H114202 1.542 -0.029 -3.736 2631TIP3 H214203 1.652 -0.134 -3.739 2632TIP3 OH214204 1.984 -0.014 -3.921 2632TIP3 H114205 2.081 -0.010 -3.917 2632TIP3 H214206 1.961 0.041 -3.998 2633TIP3 OH214207 2.605 -0.263 -3.255 2633TIP3 H114208 2.541 -0.263 -3.180 2633TIP3 H214209 2.548 -0.297 -3.326 2634TIP3 OH214210 1.845 0.096 -4.157 2634TIP3 H114211 1.780 0.050 -4.213 2634TIP3 H214212 1.916 0.118 -4.219 2635TIP3 OH214213 2.904 1.317 -2.588 2635TIP3 H114214 2.929 1.359 -2.672 2635TIP3 H214215 2.977 1.344 -2.530 2636TIP3 OH214216 1.698 0.581 -2.646 2636TIP3 H114217 1.764 0.586 -2.574 2636TIP3 H214218 1.616 0.570 -2.593 2637TIP3 OH214219 2.268 0.077 -3.374 2637TIP3 H114220 2.341 0.034 -3.421 2637TIP3 H214221 2.252 0.016 -3.300 2638TIP3 OH214222 1.799 -0.281 -3.762 2638TIP3 H114223 1.744 -0.359 -3.747 2638TIP3 H214224 1.882 -0.319 -3.796 2639TIP3 OH214225 2.166 -0.076 -3.151 2639TIP3 H114226 2.088 -0.019 -3.148 2639TIP3 H214227 2.214 -0.052 -3.070 2640TIP3 OH214228 2.179 0.562 -3.961 2640TIP3 H114229 2.103 0.512 -3.997 2640TIP3 H214230 2.160 0.565 -3.864 2641TIP3 OH214231 2.901 0.479 -3.086 2641TIP3 H114232 2.951 0.532 -3.152 2641TIP3 H214233 2.816 0.466 -3.132 2642TIP3 OH214234 2.594 -0.161 -4.181 2642TIP3 H114235 2.496 -0.162 -4.186 2642TIP3 H214236 2.615 -0.084 -4.125 2643TIP3 OH214237 2.345 0.564 -2.829 2643TIP3 H114238 2.314 0.529 -2.744 2643TIP3 H214239 2.312 0.655 -2.828 2644TIP3 OH214240 2.655 0.025 -3.986 2644TIP3 H114241 2.743 0.006 -3.946 2644TIP3 H214242 2.671 0.111 -4.030 2645TIP3 OH214243 1.695 0.502 -3.378 2645TIP3 H114244 1.749 0.490 -3.458 2645TIP3 H214245 1.703 0.415 -3.335 2646TIP3 OH214246 2.423 0.696 -4.068 2646TIP3 H114247 2.394 0.784 -4.037 2646TIP3 H214248 2.345 0.642 -4.042 2647TIP3 OH214249 1.421 0.328 -2.848 2647TIP3 H114250 1.433 0.283 -2.762 2647TIP3 H214251 1.360 0.269 -2.894 2648TIP3 OH214252 2.118 0.283 -2.657 2648TIP3 H114253 2.083 0.254 -2.743 2648TIP3 H214254 2.209 0.250 -2.662 2649TIP3 OH214255 2.571 0.826 -2.882 2649TIP3 H114256 2.474 0.829 -2.888 2649TIP3 H214257 2.586 0.846 -2.789 2650TIP3 OH214258 3.129 0.033 -3.999 2650TIP3 H114259 3.066 0.013 -4.071 2650TIP3 H214260 3.139 0.128 -4.017 2651TIP3 OH214261 3.168 0.633 -2.724 2651TIP3 H114262 3.074 0.653 -2.743 2651TIP3 H214263 3.201 0.612 -2.814 2652TIP3 OH214264 2.957 0.889 -3.990 2652TIP3 H114265 2.918 0.814 -3.941 2652TIP3 H214266 2.980 0.847 -4.074 2653TIP3 OH214267 2.667 0.421 -3.257 2653TIP3 H114268 2.574 0.405 -3.280 2653TIP3 H214269 2.711 0.349 -3.305 2654TIP3 OH214270 1.930 0.830 -3.649 2654TIP3 H114271 1.973 0.915 -3.666 2654TIP3 H214272 1.839 0.847 -3.678 2655TIP3 OH214273 1.539 0.318 -4.198 2655TIP3 H114274 1.594 0.385 -4.153 2655TIP3 H214275 1.449 0.342 -4.168 2656TIP3 OH214276 2.115 0.599 -3.688 2656TIP3 H114277 2.083 0.689 -3.675 2656TIP3 H214278 2.043 0.548 -3.647 2657TIP3 OH214279 2.130 1.025 -3.054 2657TIP3 H114280 2.187 1.099 -3.083 2657TIP3 H214281 2.192 0.974 -3.000 2658TIP3 OH214282 1.975 1.119 -3.731 2658TIP3 H114283 1.879 1.133 -3.725 2658TIP3 H214284 2.010 1.207 -3.708 2659TIP3 OH214285 2.472 0.600 -3.097 2659TIP3 H114286 2.442 0.570 -3.010 2659TIP3 H214287 2.544 0.538 -3.116 2660TIP3 OH214288 2.686 0.720 -4.192 2660TIP3 H114289 2.733 0.676 -4.119 2660TIP3 H214290 2.595 0.716 -4.159 2661TIP3 OH214291 2.766 1.057 -2.858 2661TIP3 H114292 2.691 1.009 -2.899 2661TIP3 H214293 2.774 1.135 -2.916 2662TIP3 OH214294 3.178 1.174 -4.159 2662TIP3 H114295 3.246 1.244 -4.144 2662TIP3 H214296 3.096 1.222 -4.136 2663TIP3 OH214297 1.551 -0.207 -2.893 2663TIP3 H114298 1.459 -0.182 -2.914 2663TIP3 H214299 1.538 -0.291 -2.846 2664TIP3 OH214300 2.786 0.590 -3.966 2664TIP3 H114301 2.758 0.518 -3.906 2664TIP3 H214302 2.884 0.584 -3.959 2665TIP3 OH214303 1.525 0.969 -3.049 2665TIP3 H114304 1.555 0.878 -3.036 2665TIP3 H214305 1.551 1.008 -2.965 2666TIP3 OH214306 2.140 0.833 -4.321 2666TIP3 H114307 2.172 0.749 -4.357 2666TIP3 H214308 2.076 0.800 -4.255 2667TIP3 OH214309 1.986 0.787 -4.068 2667TIP3 H114310 2.045 0.732 -4.015 2667TIP3 H214311 2.014 0.878 -4.047 2668TIP3 OH214312 1.679 0.522 -4.035 2668TIP3 H114313 1.605 0.566 -3.989 2668TIP3 H214314 1.727 0.599 -4.071 2669TIP3 OH214315 2.447 -0.224 -3.035 2669TIP3 H114316 2.509 -0.197 -2.965 2669TIP3 H214317 2.399 -0.298 -2.994 2670TIP3 OH214318 2.506 -0.268 -3.921 2670TIP3 H114319 2.537 -0.221 -4.000 2670TIP3 H214320 2.559 -0.227 -3.851 2671TIP3 OH214321 2.291 0.947 -4.022 2671TIP3 H114322 2.210 0.998 -4.006 2671TIP3 H214323 2.336 1.004 -4.086 2672TIP3 OH214324 2.251 -0.077 -3.815 2672TIP3 H114325 2.330 -0.021 -3.801 2672TIP3 H214326 2.222 -0.094 -3.724 2673TIP3 OH214327 2.291 0.013 -2.900 2673TIP3 H114328 2.294 0.063 -2.817 2673TIP3 H214329 2.342 -0.066 -2.876 2674TIP3 OH214330 2.314 -0.375 -3.724 2674TIP3 H114331 2.295 -0.307 -3.658 2674TIP3 H214332 2.386 -0.332 -3.775 2675TIP3 OH214333 2.010 1.065 -4.025 2675TIP3 H114334 2.011 1.151 -4.072 2675TIP3 H214335 1.997 1.093 -3.932 2676TIP3 OH214336 1.886 -0.269 -4.079 2676TIP3 H114337 1.878 -0.198 -4.014 2676TIP3 H214338 1.961 -0.320 -4.044 2677TIP3 OH214339 2.917 -0.187 -2.812 2677TIP3 H114340 2.820 -0.175 -2.825 2677TIP3 H214341 2.941 -0.211 -2.902 2678TIP3 OH214342 2.767 0.197 -3.409 2678TIP3 H114343 2.685 0.151 -3.435 2678TIP3 H214344 2.816 0.126 -3.362 2679TIP3 OH214345 1.719 0.823 -4.157 2679TIP3 H114346 1.804 0.843 -4.114 2679TIP3 H214347 1.751 0.771 -4.233 2680TIP3 OH214348 1.544 0.037 -4.251 2680TIP3 H114349 1.558 0.133 -4.238 2680TIP3 H214350 1.455 0.036 -4.291 2681TIP3 OH214351 2.869 1.083 -3.270 2681TIP3 H114352 2.852 1.165 -3.320 2681TIP3 H214353 2.961 1.096 -3.244 2682TIP3 OH214354 1.631 -0.467 -3.371 2682TIP3 H114355 1.612 -0.469 -3.467 2682TIP3 H214356 1.596 -0.553 -3.340 2683TIP3 OH214357 1.523 0.892 -3.741 2683TIP3 H114358 1.438 0.937 -3.730 2683TIP3 H214359 1.557 0.933 -3.822 2684TIP3 OH214360 1.458 1.173 -2.628 2684TIP3 H114361 1.516 1.146 -2.554 2684TIP3 H214362 1.421 1.087 -2.655 2685TIP3 OH214363 1.926 1.073 -2.446 2685TIP3 H114364 2.001 1.014 -2.433 2685TIP3 H214365 1.903 1.054 -2.538 2686TIP3 OH214366 2.352 1.012 -4.313 2686TIP3 H114367 2.271 0.958 -4.322 2686TIP3 H214368 2.415 0.952 -4.356 2687TIP3 OH214369 2.575 0.908 -2.590 2687TIP3 H114370 2.539 0.825 -2.555 2687TIP3 H214371 2.646 0.928 -2.527 2688TIP3 OH214372 2.745 0.979 -4.285 2688TIP3 H114373 2.780 0.901 -4.240 2688TIP3 H214374 2.824 1.028 -4.316 2689TIP3 OH214375 1.458 0.538 -2.516 2689TIP3 H114376 1.468 0.444 -2.541 2689TIP3 H214377 1.383 0.565 -2.572 2690TIP3 OH214378 1.878 0.593 -4.298 2690TIP3 H114379 1.902 0.518 -4.242 2690TIP3 H214380 1.938 0.585 -4.374 2691TIP3 OH214381 2.114 0.556 -2.581 2691TIP3 H114382 2.088 0.586 -2.669 2691TIP3 H214383 2.126 0.460 -2.595 2692TIP3 OH214384 2.414 0.695 -4.349 2692TIP3 H114385 2.427 0.709 -4.254 2692TIP3 H214386 2.477 0.625 -4.370 2693TIP3 OH214387 2.655 0.517 -2.843 2693TIP3 H114388 2.733 0.571 -2.864 2693TIP3 H214389 2.585 0.583 -2.846 2694TIP3 OH214390 1.539 0.256 -2.587 2694TIP3 H114391 1.607 0.186 -2.588 2694TIP3 H214392 1.520 0.257 -2.491 2695TIP3 OH214393 1.987 0.385 -4.087 2695TIP3 H114394 1.923 0.338 -4.031 2695TIP3 H214395 2.020 0.314 -4.145 2696TIP3 OH214396 1.905 0.162 -2.858 2696TIP3 H114397 1.854 0.242 -2.835 2696TIP3 H214398 1.972 0.198 -2.918 2697TIP3 OH214399 2.103 0.196 -4.273 2697TIP3 H114400 2.104 0.176 -4.368 2697TIP3 H214401 2.199 0.194 -4.253 2698TIP3 OH214402 2.438 0.434 -2.499 2698TIP3 H114403 2.527 0.413 -2.531 2698TIP3 H214404 2.411 0.350 -2.460 2699TIP3 OH214405 1.966 -0.104 -2.741 2699TIP3 H114406 1.971 -0.173 -2.810 2699TIP3 H214407 1.944 -0.025 -2.793 2700TIP3 OH214408 2.000 -0.261 -2.996 2700TIP3 H114409 2.051 -0.209 -3.061 2700TIP3 H214410 1.909 -0.258 -3.032 2701TIP3 OH214411 2.154 0.283 -2.957 2701TIP3 H114412 2.238 0.274 -3.004 2701TIP3 H214413 2.124 0.371 -2.988 2702TIP3 OH214414 2.613 0.077 -2.480 2702TIP3 H114415 2.632 -0.017 -2.462 2702TIP3 H214416 2.703 0.114 -2.483 2703TIP3 OH214417 2.709 0.357 -2.628 2703TIP3 H114418 2.675 0.417 -2.698 2703TIP3 H214419 2.798 0.338 -2.665 2704TIP3 OH214420 1.788 0.076 -2.560 2704TIP3 H114421 1.732 -0.003 -2.554 2704TIP3 H214422 1.867 0.042 -2.605 2705TIP3 OH214423 2.074 -0.528 -2.962 2705TIP3 H114424 2.055 -0.432 -2.977 2705TIP3 H214425 2.003 -0.569 -3.015 2706TIP3 OH214426 2.197 -0.068 -2.581 2706TIP3 H114427 2.166 -0.097 -2.494 2706TIP3 H214428 2.117 -0.090 -2.635 2707TIP3 OH214429 2.451 -0.166 -2.696 2707TIP3 H114430 2.363 -0.162 -2.655 2707TIP3 H214431 2.498 -0.229 -2.638 2708TIP3 OH214432 2.640 -0.318 -2.523 2708TIP3 H114433 2.623 -0.413 -2.509 2708TIP3 H214434 2.618 -0.278 -2.437 2709TIP3 OH214435 1.650 -0.177 -2.576 2709TIP3 H114436 1.644 -0.252 -2.637 2709TIP3 H214437 1.630 -0.219 -2.490 2710TIP3 OH214438 2.055 -0.580 -2.680 2710TIP3 H114439 2.115 -0.656 -2.674 2710TIP3 H214440 2.054 -0.564 -2.776 2711TIP3 OH214441 2.154 -0.390 -2.500 2711TIP3 H114442 2.117 -0.451 -2.568 2711TIP3 H214443 2.082 -0.326 -2.487 2712TIP3 OH214444 2.063 1.321 -4.168 2712TIP3 H114445 2.160 1.323 -4.167 2712TIP3 H214446 2.041 1.368 -4.250 2713TIP3 OH214447 1.451 0.714 -4.193 2713TIP3 H114448 1.539 0.754 -4.200 2713TIP3 H214449 1.444 0.666 -4.277 2714TIP3 OH214450 1.347 1.273 -3.717 2714TIP3 H114451 1.279 1.233 -3.776 2714TIP3 H214452 1.357 1.202 -3.650 2715TIP3 OH214453 1.384 1.075 -3.519 2715TIP3 H114454 1.358 0.986 -3.491 2715TIP3 H214455 1.423 1.107 -3.436 2716TIP3 OH214456 3.141 1.202 -3.219 2716TIP3 H114457 3.157 1.196 -3.124 2716TIP3 H214458 3.228 1.228 -3.252 2717TIP3 OH214459 3.132 1.143 -2.932 2717TIP3 H114460 3.079 1.069 -2.967 2717TIP3 H214461 3.186 1.096 -2.867 2718TIP3 OH214462 2.931 0.688 -2.504 2718TIP3 H114463 2.843 0.692 -2.463 2718TIP3 H214464 2.976 0.767 -2.470 2719TIP3 OH214465 3.072 0.570 -3.930 2719TIP3 H114466 3.162 0.603 -3.913 2719TIP3 H214467 3.064 0.505 -3.857 2720TIP3 OH214468 3.117 0.371 -3.731 2720TIP3 H114469 3.049 0.315 -3.688 2720TIP3 H214470 3.184 0.382 -3.662 2721TIP3 OH214471 3.090 0.623 -3.233 2721TIP3 H114472 3.151 0.572 -3.289 2721TIP3 H214473 3.102 0.713 -3.266 2722TIP3 OH214474 2.962 0.916 -3.011 2722TIP3 H114475 2.888 0.953 -2.960 2722TIP3 H214476 2.915 0.877 -3.088 2723TIP3 OH214477 3.148 0.341 -4.109 2723TIP3 H114478 3.081 0.362 -4.175 2723TIP3 H214479 3.125 0.405 -4.040 2724TIP3 OH214480 2.969 0.078 -4.210 2724TIP3 H114481 2.992 0.148 -4.274 2724TIP3 H214482 2.993 -0.002 -4.258 2725TIP3 OH214483 2.911 0.185 -3.650 2725TIP3 H114484 2.902 0.090 -3.667 2725TIP3 H214485 2.872 0.194 -3.560 2726TIP3 OH214486 1.395 0.409 -3.280 2726TIP3 H114487 1.420 0.411 -3.374 2726TIP3 H214488 1.481 0.385 -3.240 2727TIP3 OH214489 2.971 0.379 -2.737 2727TIP3 H114490 3.043 0.316 -2.720 2727TIP3 H214491 3.018 0.461 -2.753 2728TIP3 OH214492 3.127 0.189 -2.615 2728TIP3 H114493 3.047 0.136 -2.637 2728TIP3 H214494 3.197 0.121 -2.617 2729TIP3 OH214495 2.888 -0.220 -4.320 2729TIP3 H114496 2.949 -0.270 -4.265 2729TIP3 H214497 2.809 -0.276 -4.323 2730TIP3 OH214498 2.890 -0.061 -3.835 2730TIP3 H114499 2.915 -0.156 -3.829 2730TIP3 H214500 2.972 -0.024 -3.873 2731TIP3 OH214501 2.920 -0.002 -3.289 2731TIP3 H114502 3.018 0.005 -3.291 2731TIP3 H214503 2.906 -0.002 -3.193 2732TIP3 OH214504 2.937 0.066 -3.007 2732TIP3 H114505 2.851 0.104 -2.980 2732TIP3 H214506 2.989 0.146 -3.028 2733TIP3 OH214507 1.388 -0.056 -2.643 2733TIP3 H114508 1.481 -0.080 -2.628 2733TIP3 H214509 1.344 -0.142 -2.631 2734TIP3 OH214510 3.198 -0.517 -2.476 2734TIP3 H114511 3.232 -0.586 -2.535 2734TIP3 H214512 3.196 -0.439 -2.535 2735TIP3 OH214513 2.941 -0.336 -3.831 2735TIP3 H114514 2.957 -0.375 -3.743 2735TIP3 H214515 2.866 -0.391 -3.862 2736TIP3 OH214516 1.463 -0.224 -3.359 2736TIP3 H114517 1.508 -0.309 -3.352 2736TIP3 H214518 1.532 -0.164 -3.325 2737TIP3 OH214519 1.317 0.044 -3.255 2737TIP3 H114520 1.375 0.038 -3.333 2737TIP3 H214521 1.355 0.120 -3.209 2738TIP3 OH214522 3.129 -0.315 -2.653 2738TIP3 H114523 3.041 -0.273 -2.648 2738TIP3 H214524 3.117 -0.370 -2.733 2739TIP3 OH214525 3.145 -0.299 -4.176 2739TIP3 H114526 3.170 -0.373 -4.233 2739TIP3 H214527 3.228 -0.249 -4.172 2740TIP3 OH214528 1.367 -0.321 -3.852 2740TIP3 H114529 1.272 -0.319 -3.872 2740TIP3 H214530 1.405 -0.262 -3.919 2741TIP3 OH214531 2.828 1.204 -3.641 2741TIP3 H114532 2.876 1.176 -3.721 2741TIP3 H214533 2.899 1.239 -3.586 2742TIP3 OH214534 1.371 -0.435 -3.036 2742TIP3 H114535 1.302 -0.461 -2.974 2742TIP3 H214536 1.320 -0.383 -3.100 2743TIP3 OH214537 1.570 0.881 -2.565 2743TIP3 H114538 1.499 0.870 -2.631 2743TIP3 H214539 1.522 0.870 -2.482 2744TIP3 OH214540 1.854 0.974 -2.999 2744TIP3 H114541 1.824 1.060 -3.035 2744TIP3 H214542 1.949 0.981 -3.016 2745TIP3 OH214543 2.304 1.105 -2.697 2745TIP3 H114544 2.321 1.086 -2.603 2745TIP3 H214545 2.388 1.148 -2.724 2746TIP3 OH214546 2.534 1.250 -2.774 2746TIP3 H114547 2.602 1.185 -2.798 2746TIP3 H214548 2.565 1.279 -2.686 2747TIP3 OH214549 3.022 -0.495 -2.862 2747TIP3 H114550 2.939 -0.470 -2.906 2747TIP3 H214551 3.031 -0.588 -2.891 2748TIP3 OH214552 1.589 1.270 -2.967 2748TIP3 H114553 1.530 1.334 -3.010 2748TIP3 H214554 1.557 1.275 -2.876 2749TIP3 OH214555 1.841 1.247 -3.110 2749TIP3 H114556 1.755 1.265 -3.067 2749TIP3 H214557 1.844 1.315 -3.180 2750TIP3 OH214558 2.315 1.245 -3.155 2750TIP3 H114559 2.278 1.289 -3.233 2750TIP3 H214560 2.324 1.320 -3.093 2751TIP3 OH214561 2.549 1.118 -3.062 2751TIP3 H114562 2.464 1.152 -3.097 2751TIP3 H214563 2.605 1.197 -3.066 2752TIP3 OH214564 2.803 1.291 -3.044 2752TIP3 H114565 2.798 1.386 -3.067 2752TIP3 H214566 2.830 1.253 -3.129 2753TIP3 OH214567 1.549 1.148 -3.272 2753TIP3 H114568 1.548 1.099 -3.187 2753TIP3 H214569 1.624 1.105 -3.316 2754TIP3 OH214570 1.750 1.025 -3.425 2754TIP3 H114571 1.736 0.931 -3.403 2754TIP3 H214572 1.843 1.038 -3.397 2755TIP3 OH214573 2.027 1.070 -3.339 2755TIP3 H114574 2.046 0.978 -3.363 2755TIP3 H214575 2.034 1.065 -3.243 2756TIP3 OH214576 2.360 -0.341 -3.409 2756TIP3 H114577 2.291 -0.409 -3.395 2756TIP3 H214578 2.421 -0.387 -3.469 2757TIP3 OH214579 2.857 -0.538 -3.363 2757TIP3 H114580 2.932 -0.495 -3.407 2757TIP3 H214581 2.782 -0.511 -3.418 2758TIP3 OH214582 3.060 -0.428 -3.580 2758TIP3 H114583 3.134 -0.474 -3.623 2758TIP3 H214584 3.095 -0.338 -3.568 2759TIP3 OH214585 1.596 -0.470 -3.652 2759TIP3 H114586 1.510 -0.482 -3.697 2759TIP3 H214587 1.638 -0.556 -3.668 2760TIP3 OH214588 1.474 -0.515 -4.081 2760TIP3 H114589 1.533 -0.452 -4.127 2760TIP3 H214590 1.441 -0.460 -4.008 2761TIP3 OH214591 2.043 -0.489 -3.665 2761TIP3 H114592 2.133 -0.456 -3.680 2761TIP3 H214593 2.041 -0.496 -3.569 2762TIP3 OH214594 2.602 -0.483 -3.524 2762TIP3 H114595 2.628 -0.497 -3.616 2762TIP3 H214596 2.564 -0.569 -3.500 2763TIP3 OH214597 2.707 -0.485 -3.919 2763TIP3 H114598 2.628 -0.438 -3.953 2763TIP3 H214599 2.675 -0.577 -3.919 2764TIP3 OH214600 1.480 1.075 -3.962 2764TIP3 H114601 1.411 1.072 -4.031 2764TIP3 H214602 1.483 1.170 -3.945 2765TIP3 OH214603 1.641 -0.345 -4.227 2765TIP3 H114604 1.698 -0.400 -4.284 2765TIP3 H214605 1.708 -0.292 -4.180 2766TIP3 OH214606 2.152 -0.324 -3.958 2766TIP3 H114607 2.194 -0.377 -3.888 2766TIP3 H214608 2.178 -0.236 -3.929 2767TIP3 OH214609 2.362 1.241 -4.146 2767TIP3 H114610 2.459 1.251 -4.153 2767TIP3 H214611 2.348 1.177 -4.218 2768TIP3 OH214612 3.024 1.158 -3.885 2768TIP3 H114613 2.993 1.074 -3.926 2768TIP3 H214614 2.999 1.224 -3.953 2769TIP3 OH214615 1.577 -0.446 -2.703 2769TIP3 H114616 1.534 -0.524 -2.664 2769TIP3 H214617 1.668 -0.458 -2.671 2770TIP3 OH214618 1.812 -0.507 -2.529 2770TIP3 H114619 1.895 -0.544 -2.566 2770TIP3 H214620 1.778 -0.585 -2.481 2771TIP3 OH214621 1.687 1.190 -4.231 2771TIP3 H114622 1.639 1.202 -4.148 2771TIP3 H214623 1.746 1.116 -4.214 2772TIP3 OH214624 2.631 -0.599 -2.511 2772TIP3 H114625 2.632 -0.637 -2.421 2772TIP3 H214626 2.724 -0.609 -2.537 2773TIP3 OH214627 2.963 1.038 -2.641 2773TIP3 H114628 2.890 1.017 -2.702 2773TIP3 H214629 2.943 1.131 -2.621 2774TIP3 OH214630 4.223 0.348 -3.319 2774TIP3 H114631 4.284 0.311 -3.253 2774TIP3 H214632 4.243 0.298 -3.399 2775TIP3 OH214633 3.514 0.308 -3.153 2775TIP3 H114634 3.512 0.232 -3.092 2775TIP3 H214635 3.585 0.361 -3.114 2776TIP3 OH214636 3.581 0.772 -3.305 2776TIP3 H114637 3.556 0.680 -3.329 2776TIP3 H214638 3.673 0.757 -3.278 2777TIP3 OH214639 3.281 0.115 -3.763 2777TIP3 H114640 3.235 0.200 -3.754 2777TIP3 H214641 3.212 0.060 -3.805 2778TIP3 OH214642 3.362 0.358 -3.576 2778TIP3 H114643 3.374 0.273 -3.530 2778TIP3 H214644 3.445 0.363 -3.626 2779TIP3 OH214645 4.131 0.605 -3.260 2779TIP3 H114646 4.145 0.525 -3.314 2779TIP3 H214647 4.195 0.586 -3.190 2780TIP3 OH214648 3.745 -0.162 -3.506 2780TIP3 H114649 3.756 -0.078 -3.554 2780TIP3 H214650 3.709 -0.219 -3.576 2781TIP3 OH214651 3.414 0.109 -3.454 2781TIP3 H114652 3.474 0.058 -3.397 2781TIP3 H214653 3.420 0.058 -3.537 2782TIP3 OH214654 3.952 0.242 -3.504 2782TIP3 H114655 4.027 0.188 -3.473 2782TIP3 H214656 3.902 0.175 -3.554 2783TIP3 OH214657 3.627 -0.283 -3.090 2783TIP3 H114658 3.584 -0.237 -3.163 2783TIP3 H214659 3.560 -0.275 -3.020 2784TIP3 OH214660 3.918 0.498 -3.075 2784TIP3 H114661 3.841 0.551 -3.047 2784TIP3 H214662 3.977 0.566 -3.111 2785TIP3 OH214663 3.583 -0.080 -3.296 2785TIP3 H114664 3.650 -0.025 -3.250 2785TIP3 H214665 3.641 -0.120 -3.366 2786TIP3 OH214666 3.716 0.688 -3.004 2786TIP3 H114667 3.712 0.781 -3.033 2786TIP3 H214668 3.629 0.680 -2.960 2787TIP3 OH214669 3.353 0.660 -3.921 2787TIP3 H114670 3.320 0.704 -4.002 2787TIP3 H214671 3.361 0.734 -3.856 2788TIP3 OH214672 4.041 -0.547 -3.366 2788TIP3 H114673 4.011 -0.641 -3.372 2788TIP3 H214674 3.957 -0.504 -3.339 2789TIP3 OH214675 4.264 0.339 -3.916 2789TIP3 H114676 4.200 0.411 -3.928 2789TIP3 H214677 4.338 0.370 -3.970 2790TIP3 OH214678 4.288 0.197 -4.213 2790TIP3 H114679 4.354 0.200 -4.142 2790TIP3 H214680 4.298 0.108 -4.247 2791TIP3 OH214681 3.762 0.433 -3.618 2791TIP3 H114682 3.729 0.387 -3.697 2791TIP3 H214683 3.822 0.367 -3.580 2792TIP3 OH214684 3.901 0.774 -3.342 2792TIP3 H114685 3.886 0.730 -3.427 2792TIP3 H214686 3.980 0.727 -3.309 2793TIP3 OH214687 3.814 0.317 -3.269 2793TIP3 H114688 3.875 0.312 -3.345 2793TIP3 H214689 3.859 0.380 -3.210 2794TIP3 OH214690 3.905 0.752 -2.788 2794TIP3 H114691 3.853 0.814 -2.734 2794TIP3 H214692 3.839 0.723 -2.853 2795TIP3 OH214693 3.595 0.389 -2.873 2795TIP3 H114694 3.599 0.443 -2.792 2795TIP3 H214695 3.499 0.372 -2.880 2796TIP3 OH214696 4.252 0.960 -3.697 2796TIP3 H114697 4.299 1.014 -3.632 2796TIP3 H214698 4.197 1.026 -3.740 2797TIP3 OH214699 3.710 0.967 -2.701 2797TIP3 H114700 3.698 0.966 -2.798 2797TIP3 H214701 3.623 0.938 -2.668 2798TIP3 OH214702 3.652 0.309 -3.864 2798TIP3 H114703 3.624 0.383 -3.920 2798TIP3 H214704 3.586 0.241 -3.885 2799TIP3 OH214705 3.256 0.575 -2.990 2799TIP3 H114706 3.212 0.573 -3.077 2799TIP3 H214707 3.269 0.480 -2.972 2800TIP3 OH214708 3.263 0.871 -3.299 2800TIP3 H114709 3.353 0.838 -3.292 2800TIP3 H214710 3.257 0.927 -3.220 2801TIP3 OH214711 4.170 0.853 -2.839 2801TIP3 H114712 4.181 0.938 -2.794 2801TIP3 H214713 4.080 0.825 -2.814 2802TIP3 OH214714 4.184 1.232 -3.849 2802TIP3 H114715 4.209 1.238 -3.942 2802TIP3 H214716 4.207 1.318 -3.812 2803TIP3 OH214717 3.573 1.145 -3.680 2803TIP3 H114718 3.591 1.102 -3.594 2803TIP3 H214719 3.488 1.105 -3.703 2804TIP3 OH214720 3.475 0.731 -2.866 2804TIP3 H114721 3.502 0.684 -2.784 2804TIP3 H214722 3.401 0.675 -2.899 2805TIP3 OH214723 3.791 -0.421 -3.304 2805TIP3 H114724 3.704 -0.444 -3.340 2805TIP3 H214725 3.763 -0.365 -3.229 2806TIP3 OH214726 4.247 -0.499 -2.838 2806TIP3 H114727 4.235 -0.590 -2.805 2806TIP3 H214728 4.157 -0.488 -2.878 2807TIP3 OH214729 4.223 -0.214 -4.202 2807TIP3 H114730 4.157 -0.229 -4.133 2807TIP3 H214731 4.195 -0.280 -4.268 2808TIP3 OH214732 3.783 0.058 -3.148 2808TIP3 H114733 3.720 0.065 -3.074 2808TIP3 H214734 3.783 0.149 -3.185 2809TIP3 OH214735 3.774 0.067 -3.662 2809TIP3 H114736 3.678 0.053 -3.676 2809TIP3 H214737 3.808 0.044 -3.751 2810TIP3 OH214738 4.288 0.097 -3.745 2810TIP3 H114739 4.264 0.189 -3.768 2810TIP3 H214740 4.317 0.061 -3.829 2811TIP3 OH214741 4.251 0.147 -2.627 2811TIP3 H114742 4.198 0.065 -2.614 2811TIP3 H214743 4.340 0.109 -2.630 2812TIP3 OH214744 3.516 0.075 -2.963 2812TIP3 H114745 3.543 0.100 -2.874 2812TIP3 H214746 3.481 -0.015 -2.947 2813TIP3 OH214747 3.898 -0.178 -4.309 2813TIP3 H114748 3.859 -0.215 -4.228 2813TIP3 H214749 3.820 -0.134 -4.348 2814TIP3 OH214750 3.204 -0.176 -3.599 2814TIP3 H114751 3.264 -0.189 -3.524 2814TIP3 H214752 3.248 -0.221 -3.673 2815TIP3 OH214753 3.358 -0.137 -4.038 2815TIP3 H114754 3.413 -0.089 -4.103 2815TIP3 H214755 3.289 -0.072 -4.018 2816TIP3 OH214756 4.349 0.204 -3.024 2816TIP3 H114757 4.379 0.133 -3.085 2816TIP3 H214758 4.281 0.155 -2.976 2817TIP3 OH214759 4.049 -0.191 -3.556 2817TIP3 H114760 3.954 -0.193 -3.533 2817TIP3 H214761 4.088 -0.190 -3.467 2818TIP3 OH214762 3.513 -0.053 -3.693 2818TIP3 H114763 3.427 -0.032 -3.734 2818TIP3 H214764 3.539 -0.136 -3.738 2819TIP3 OH214765 3.866 -0.014 -3.922 2819TIP3 H114766 3.963 -0.014 -3.918 2819TIP3 H214767 3.845 0.043 -3.997 2820TIP3 OH214768 3.728 0.104 -4.162 2820TIP3 H114769 3.666 0.047 -4.212 2820TIP3 H214770 3.806 0.106 -4.219 2821TIP3 OH214771 3.583 0.579 -2.647 2821TIP3 H114772 3.650 0.585 -2.575 2821TIP3 H214773 3.502 0.573 -2.592 2822TIP3 OH214774 4.149 0.057 -3.414 2822TIP3 H114775 4.213 0.002 -3.461 2822TIP3 H214776 4.156 0.022 -3.323 2823TIP3 OH214777 3.682 -0.284 -3.766 2823TIP3 H114778 3.625 -0.359 -3.742 2823TIP3 H214779 3.765 -0.329 -3.787 2824TIP3 OH214780 4.054 -0.080 -3.154 2824TIP3 H114781 3.977 -0.022 -3.157 2824TIP3 H214782 4.101 -0.050 -3.075 2825TIP3 OH214783 4.068 0.548 -3.955 2825TIP3 H114784 3.991 0.499 -3.990 2825TIP3 H214785 4.048 0.557 -3.859 2826TIP3 OH214786 4.229 0.571 -2.852 2826TIP3 H114787 4.196 0.527 -2.773 2826TIP3 H214788 4.208 0.665 -2.838 2827TIP3 OH214789 3.580 0.502 -3.377 2827TIP3 H114790 3.635 0.489 -3.456 2827TIP3 H214791 3.588 0.416 -3.333 2828TIP3 OH214792 4.284 0.690 -4.051 2828TIP3 H114793 4.252 0.780 -4.031 2828TIP3 H214794 4.208 0.637 -4.020 2829TIP3 OH214795 3.304 0.329 -2.851 2829TIP3 H114796 3.320 0.284 -2.766 2829TIP3 H214797 3.244 0.268 -2.897 2830TIP3 OH214798 4.003 0.283 -2.652 2830TIP3 H114799 3.965 0.246 -2.734 2830TIP3 H214800 4.095 0.251 -2.658 2831TIP3 OH214801 3.816 0.829 -3.656 2831TIP3 H114802 3.857 0.916 -3.665 2831TIP3 H214803 3.723 0.849 -3.673 2832TIP3 OH214804 3.423 0.324 -4.203 2832TIP3 H114805 3.476 0.385 -4.150 2832TIP3 H214806 3.333 0.339 -4.168 2833TIP3 OH214807 3.996 0.599 -3.690 2833TIP3 H114808 3.964 0.689 -3.676 2833TIP3 H214809 3.925 0.547 -3.648 2834TIP3 OH214810 4.020 1.028 -3.053 2834TIP3 H114811 4.079 1.099 -3.085 2834TIP3 H214812 4.082 0.977 -2.998 2835TIP3 OH214813 3.859 1.120 -3.737 2835TIP3 H114814 3.764 1.134 -3.723 2835TIP3 H214815 3.897 1.205 -3.708 2836TIP3 OH214816 3.436 -0.205 -2.891 2836TIP3 H114817 3.345 -0.182 -2.916 2836TIP3 H214818 3.423 -0.294 -2.851 2837TIP3 OH214819 3.413 0.969 -3.050 2837TIP3 H114820 3.441 0.877 -3.033 2837TIP3 H214821 3.434 1.009 -2.965 2838TIP3 OH214822 3.975 0.821 -4.380 2838TIP3 H114823 4.043 0.752 -4.392 2838TIP3 H214824 3.946 0.801 -4.288 2839TIP3 OH214825 3.875 0.782 -4.071 2839TIP3 H114826 3.930 0.728 -4.012 2839TIP3 H214827 3.900 0.873 -4.045 2840TIP3 OH214828 3.563 0.525 -4.041 2840TIP3 H114829 3.488 0.562 -3.990 2840TIP3 H214830 3.615 0.605 -4.056 2841TIP3 OH214831 4.330 -0.166 -2.988 2841TIP3 H114832 4.385 -0.228 -2.940 2841TIP3 H214833 4.292 -0.222 -3.057 2842TIP3 OH214834 4.162 0.949 -4.030 2842TIP3 H114835 4.088 1.004 -4.000 2842TIP3 H214836 4.216 1.014 -4.076 2843TIP3 OH214837 4.119 -0.101 -3.813 2843TIP3 H114838 4.183 -0.034 -3.780 2843TIP3 H214839 4.081 -0.127 -3.727 2844TIP3 OH214840 4.161 0.012 -2.893 2844TIP3 H114841 4.186 0.058 -2.812 2844TIP3 H214842 4.231 -0.056 -2.901 2845TIP3 OH214843 4.198 -0.383 -3.694 2845TIP3 H114844 4.168 -0.304 -3.644 2845TIP3 H214845 4.272 -0.348 -3.746 2846TIP3 OH214846 3.889 1.064 -4.027 2846TIP3 H114847 3.898 1.150 -4.072 2846TIP3 H214848 3.878 1.091 -3.933 2847TIP3 OH214849 3.770 -0.267 -4.084 2847TIP3 H114850 3.761 -0.202 -4.012 2847TIP3 H214851 3.837 -0.328 -4.049 2848TIP3 OH214852 3.611 0.823 -4.181 2848TIP3 H114853 3.681 0.857 -4.122 2848TIP3 H214854 3.662 0.754 -4.227 2849TIP3 OH214855 3.434 0.038 -4.260 2849TIP3 H114856 3.444 0.133 -4.240 2849TIP3 H214857 3.341 0.034 -4.290 2850TIP3 OH214858 3.488 -0.479 -3.360 2850TIP3 H114859 3.484 -0.492 -3.456 2850TIP3 H214860 3.482 -0.572 -3.329 2851TIP3 OH214861 3.404 0.887 -3.746 2851TIP3 H114862 3.324 0.936 -3.724 2851TIP3 H214863 3.441 0.937 -3.819 2852TIP3 OH214864 3.345 1.173 -2.629 2852TIP3 H114865 3.404 1.145 -2.556 2852TIP3 H214866 3.307 1.088 -2.657 2853TIP3 OH214867 3.816 1.082 -2.453 2853TIP3 H114868 3.881 1.014 -2.428 2853TIP3 H214869 3.790 1.052 -2.541 2854TIP3 OH214870 4.232 1.016 -4.323 2854TIP3 H114871 4.157 0.955 -4.321 2854TIP3 H214872 4.302 0.959 -4.359 2855TIP3 OH214873 3.342 0.538 -2.518 2855TIP3 H114874 3.350 0.445 -2.547 2855TIP3 H214875 3.264 0.566 -2.569 2856TIP3 OH214876 3.790 0.599 -4.322 2856TIP3 H114877 3.756 0.536 -4.257 2856TIP3 H214878 3.872 0.554 -4.347 2857TIP3 OH214879 4.010 0.559 -2.586 2857TIP3 H114880 3.976 0.587 -2.672 2857TIP3 H214881 4.018 0.461 -2.597 2858TIP3 OH214882 4.264 0.688 -4.346 2858TIP3 H114883 4.315 0.721 -4.269 2858TIP3 H214884 4.323 0.619 -4.378 2859TIP3 OH214885 3.428 0.252 -2.599 2859TIP3 H114886 3.500 0.186 -2.600 2859TIP3 H214887 3.422 0.270 -2.504 2860TIP3 OH214888 3.868 0.385 -4.091 2860TIP3 H114889 3.806 0.341 -4.031 2860TIP3 H214890 3.903 0.310 -4.142 2861TIP3 OH214891 3.797 0.167 -2.852 2861TIP3 H114892 3.740 0.243 -2.834 2861TIP3 H214893 3.850 0.198 -2.926 2862TIP3 OH214894 3.995 0.201 -4.277 2862TIP3 H114895 3.994 0.174 -4.370 2862TIP3 H214896 4.090 0.213 -4.261 2863TIP3 OH214897 4.286 0.413 -2.487 2863TIP3 H114898 4.359 0.378 -2.539 2863TIP3 H214899 4.266 0.335 -2.433 2864TIP3 OH214900 3.858 -0.105 -2.739 2864TIP3 H114901 3.860 -0.172 -2.810 2864TIP3 H214902 3.838 -0.024 -2.790 2865TIP3 OH214903 3.886 -0.257 -2.997 2865TIP3 H114904 3.932 -0.205 -3.065 2865TIP3 H214905 3.795 -0.264 -3.032 2866TIP3 OH214906 4.068 0.283 -2.961 2866TIP3 H114907 4.135 0.274 -3.030 2866TIP3 H214908 4.027 0.368 -2.985 2867TIP3 OH214909 3.674 0.077 -2.565 2867TIP3 H114910 3.619 -0.004 -2.561 2867TIP3 H214911 3.755 0.043 -2.607 2868TIP3 OH214912 3.993 -0.511 -2.961 2868TIP3 H114913 3.955 -0.422 -2.973 2868TIP3 H214914 3.924 -0.564 -3.007 2869TIP3 OH214915 4.106 -0.080 -2.586 2869TIP3 H114916 4.069 -0.107 -2.500 2869TIP3 H214917 4.031 -0.101 -2.644 2870TIP3 OH214918 3.539 -0.177 -2.579 2870TIP3 H114919 3.531 -0.249 -2.645 2870TIP3 H214920 3.519 -0.225 -2.497 2871TIP3 OH214921 3.947 -0.577 -2.676 2871TIP3 H114922 4.000 -0.658 -2.670 2871TIP3 H214923 3.939 -0.566 -2.772 2872TIP3 OH214924 4.049 -0.389 -2.501 2872TIP3 H114925 4.008 -0.454 -2.562 2872TIP3 H214926 3.976 -0.327 -2.486 2873TIP3 OH214927 3.961 1.306 -4.175 2873TIP3 H114928 4.054 1.327 -4.161 2873TIP3 H214929 3.933 1.372 -4.240 2874TIP3 OH214930 3.331 0.725 -4.201 2874TIP3 H114931 3.425 0.749 -4.200 2874TIP3 H214932 3.325 0.658 -4.272 2875TIP3 OH214933 3.237 1.269 -3.721 2875TIP3 H114934 3.164 1.234 -3.776 2875TIP3 H214935 3.242 1.202 -3.650 2876TIP3 OH214936 3.273 1.073 -3.520 2876TIP3 H114937 3.243 0.986 -3.490 2876TIP3 H214938 3.307 1.108 -3.436 2877TIP3 OH214939 3.280 0.409 -3.280 2877TIP3 H114940 3.306 0.411 -3.374 2877TIP3 H214941 3.366 0.385 -3.239 2878TIP3 OH214942 3.272 -0.058 -2.640 2878TIP3 H114943 3.365 -0.085 -2.636 2878TIP3 H214944 3.227 -0.144 -2.632 2879TIP3 OH214945 3.350 -0.231 -3.360 2879TIP3 H114946 3.390 -0.320 -3.352 2879TIP3 H214947 3.422 -0.175 -3.325 2880TIP3 OH214948 3.203 0.043 -3.255 2880TIP3 H114949 3.261 0.036 -3.333 2880TIP3 H214950 3.241 0.119 -3.210 2881TIP3 OH214951 3.251 -0.317 -3.848 2881TIP3 H114952 3.157 -0.320 -3.871 2881TIP3 H214953 3.290 -0.263 -3.918 2882TIP3 OH214954 3.252 -0.433 -3.030 2882TIP3 H114955 3.178 -0.453 -2.972 2882TIP3 H214956 3.207 -0.385 -3.102 2883TIP3 OH214957 3.456 0.881 -2.567 2883TIP3 H114958 3.383 0.872 -2.630 2883TIP3 H214959 3.411 0.867 -2.482 2884TIP3 OH214960 3.740 0.973 -3.001 2884TIP3 H114961 3.709 1.059 -3.035 2884TIP3 H214962 3.836 0.982 -3.017 2885TIP3 OH214963 4.221 1.134 -2.710 2885TIP3 H114964 4.205 1.100 -2.621 2885TIP3 H214965 4.315 1.158 -2.702 2886TIP3 OH214966 3.478 1.270 -2.966 2886TIP3 H114967 3.418 1.332 -3.010 2886TIP3 H214968 3.443 1.271 -2.877 2887TIP3 OH214969 3.729 1.246 -3.109 2887TIP3 H114970 3.644 1.265 -3.065 2887TIP3 H214971 3.733 1.316 -3.177 2888TIP3 OH214972 4.197 1.224 -3.155 2888TIP3 H114973 4.178 1.273 -3.236 2888TIP3 H214974 4.259 1.283 -3.109 2889TIP3 OH214975 3.435 1.149 -3.271 2889TIP3 H114976 3.433 1.099 -3.186 2889TIP3 H214977 3.511 1.104 -3.315 2890TIP3 OH214978 3.637 1.023 -3.429 2890TIP3 H114979 3.620 0.931 -3.401 2890TIP3 H214980 3.727 1.038 -3.395 2891TIP3 OH214981 3.913 1.071 -3.340 2891TIP3 H114982 3.932 0.978 -3.360 2891TIP3 H214983 3.921 1.070 -3.243 2892TIP3 OH214984 4.260 -0.373 -3.404 2892TIP3 H114985 4.179 -0.426 -3.391 2892TIP3 H214986 4.295 -0.412 -3.484 2893TIP3 OH214987 3.490 -0.473 -3.652 2893TIP3 H114988 3.401 -0.489 -3.690 2893TIP3 H214989 3.527 -0.563 -3.653 2894TIP3 OH214990 3.356 -0.513 -4.082 2894TIP3 H114991 3.418 -0.451 -4.127 2894TIP3 H214992 3.327 -0.461 -4.006 2895TIP3 OH214993 3.931 -0.474 -3.665 2895TIP3 H114994 4.027 -0.461 -3.670 2895TIP3 H214995 3.920 -0.499 -3.573 2896TIP3 OH214996 3.371 1.075 -3.969 2896TIP3 H114997 3.296 1.073 -4.031 2896TIP3 H214998 3.368 1.168 -3.941 2897TIP3 OH214999 3.528 -0.339 -4.232 2897TIP3 H115000 3.580 -0.404 -4.281 2897TIP3 H215001 3.597 -0.294 -4.180 2898TIP3 OH215002 4.074 -0.324 -3.968 2898TIP3 H115003 4.061 -0.388 -3.896 2898TIP3 H215004 4.061 -0.239 -3.921 2899TIP3 OH215005 4.271 1.225 -4.142 2899TIP3 H115006 4.355 1.268 -4.163 2899TIP3 H215007 4.254 1.172 -4.223 2900TIP3 OH215008 3.460 -0.444 -2.698 2900TIP3 H115009 3.420 -0.525 -2.662 2900TIP3 H215010 3.553 -0.460 -2.679 2901TIP3 OH215011 3.701 -0.508 -2.526 2901TIP3 H115012 3.782 -0.544 -2.567 2901TIP3 H215013 3.665 -0.588 -2.483 2902TIP3 OH215014 3.574 1.185 -4.230 2902TIP3 H115015 3.525 1.208 -4.150 2902TIP3 H215016 3.629 1.111 -4.203 2903TIP3 OH215017 -3.161 2.289 -3.628 2903TIP3 H115018 -3.160 2.385 -3.615 2903TIP3 H215019 -3.237 2.278 -3.685 2904TIP3 OH215020 -3.274 2.234 -3.321 2904TIP3 H115021 -3.276 2.179 -3.241 2904TIP3 H215022 -3.303 2.172 -3.389 2905TIP3 OH215023 -4.027 2.193 -3.157 2905TIP3 H115024 -4.032 2.120 -3.092 2905TIP3 H215025 -3.960 2.249 -3.116 2906TIP3 OH215026 -2.908 2.508 -3.488 2906TIP3 H115027 -2.944 2.438 -3.432 2906TIP3 H215028 -2.878 2.571 -3.421 2907TIP3 OH215029 -3.960 2.655 -3.304 2907TIP3 H115030 -3.988 2.565 -3.331 2907TIP3 H215031 -3.865 2.640 -3.286 2908TIP3 OH215032 -4.210 2.021 -3.870 2908TIP3 H115033 -4.237 2.108 -3.838 2908TIP3 H215034 -4.296 1.980 -3.887 2909TIP3 OH215035 -4.206 2.227 -3.603 2909TIP3 H115036 -4.186 2.170 -3.527 2909TIP3 H215037 -4.123 2.274 -3.616 2910TIP3 OH215038 -3.201 3.044 -3.432 2910TIP3 H115039 -3.143 2.973 -3.464 2910TIP3 H215040 -3.228 3.011 -3.345 2911TIP3 OH215041 -3.426 2.485 -3.264 2911TIP3 H115042 -3.392 2.413 -3.321 2911TIP3 H215043 -3.345 2.501 -3.211 2912TIP3 OH215044 -2.561 1.637 -3.198 2912TIP3 H115045 -2.534 1.699 -3.128 2912TIP3 H215046 -2.500 1.664 -3.270 2913TIP3 OH215047 -3.096 1.918 -3.212 2913TIP3 H115048 -3.083 1.822 -3.207 2913TIP3 H215049 -3.105 1.932 -3.308 2914TIP3 OH215050 -3.799 1.719 -3.506 2914TIP3 H115051 -3.785 1.805 -3.550 2914TIP3 H215052 -3.835 1.667 -3.580 2915TIP3 OH215053 -3.016 1.734 -3.675 2915TIP3 H115054 -2.957 1.693 -3.608 2915TIP3 H215055 -2.951 1.780 -3.730 2916TIP3 OH215056 -4.139 1.992 -3.451 2916TIP3 H115057 -4.079 1.952 -3.386 2916TIP3 H215058 -4.119 1.939 -3.530 2917TIP3 OH215059 -3.592 2.131 -3.509 2917TIP3 H115060 -3.522 2.076 -3.469 2917TIP3 H215061 -3.643 2.064 -3.557 2918TIP3 OH215062 -2.487 1.774 -2.951 2918TIP3 H115063 -2.545 1.847 -2.980 2918TIP3 H215064 -2.507 1.772 -2.856 2919TIP3 OH215065 -3.920 1.599 -3.087 2919TIP3 H115066 -3.962 1.646 -3.161 2919TIP3 H215067 -3.982 1.619 -3.015 2920TIP3 OH215068 -3.171 2.574 -3.750 2920TIP3 H115069 -3.202 2.554 -3.838 2920TIP3 H215070 -3.214 2.659 -3.731 2921TIP3 OH215071 -3.626 2.387 -3.077 2921TIP3 H115072 -3.698 2.447 -3.050 2921TIP3 H215073 -3.563 2.447 -3.120 2922TIP3 OH215074 -2.832 1.660 -3.469 2922TIP3 H115075 -2.874 1.605 -3.402 2922TIP3 H215076 -2.779 1.721 -3.414 2923TIP3 OH215077 -3.957 1.805 -3.296 2923TIP3 H115078 -3.894 1.863 -3.250 2923TIP3 H215079 -3.900 1.769 -3.367 2924TIP3 OH215080 -3.828 2.573 -3.003 2924TIP3 H115081 -3.829 2.665 -3.036 2924TIP3 H215082 -3.916 2.569 -2.962 2925TIP3 OH215083 -4.184 2.534 -3.914 2925TIP3 H115084 -4.259 2.557 -3.974 2925TIP3 H215085 -4.194 2.600 -3.844 2926TIP3 OH215086 -2.852 2.689 -3.239 2926TIP3 H115087 -2.948 2.703 -3.237 2926TIP3 H215088 -2.822 2.774 -3.275 2927TIP3 OH215089 -2.818 1.565 -3.084 2927TIP3 H115090 -2.893 1.610 -3.126 2927TIP3 H215091 -2.744 1.590 -3.144 2928TIP3 OH215092 -3.498 1.338 -3.365 2928TIP3 H115093 -3.531 1.247 -3.376 2928TIP3 H215094 -3.580 1.384 -3.334 2929TIP3 OH215095 -3.021 2.884 -3.582 2929TIP3 H115096 -2.973 2.805 -3.614 2929TIP3 H215097 -2.953 2.953 -3.592 2930TIP3 OH215098 -2.876 2.671 -3.720 2930TIP3 H115099 -2.927 2.624 -3.788 2930TIP3 H215100 -2.881 2.607 -3.646 2931TIP3 OH215101 -2.721 2.552 -2.871 2931TIP3 H115102 -2.731 2.488 -2.944 2931TIP3 H215103 -2.710 2.636 -2.919 2932TIP3 OH215104 -3.292 2.239 -3.905 2932TIP3 H115105 -3.359 2.302 -3.938 2932TIP3 H215106 -3.220 2.250 -3.969 2933TIP3 OH215107 -3.274 2.064 -4.205 2933TIP3 H115108 -3.206 2.097 -4.144 2933TIP3 H215109 -3.220 2.003 -4.260 2934TIP3 OH215110 -2.546 2.168 -3.076 2934TIP3 H115111 -2.618 2.235 -3.069 2934TIP3 H215112 -2.497 2.204 -3.154 2935TIP3 OH215113 -2.945 2.241 -3.795 2935TIP3 H115114 -3.013 2.263 -3.727 2935TIP3 H215115 -2.884 2.186 -3.742 2936TIP3 OH215116 -2.960 2.096 -2.910 2936TIP3 H115117 -2.954 2.178 -2.858 2936TIP3 H215118 -3.024 2.126 -2.977 2937TIP3 OH215119 -3.783 2.320 -3.616 2937TIP3 H115120 -3.816 2.278 -3.697 2937TIP3 H215121 -3.717 2.255 -3.584 2938TIP3 OH215122 -3.649 2.658 -3.341 2938TIP3 H115123 -3.658 2.623 -3.431 2938TIP3 H215124 -3.568 2.613 -3.310 2939TIP3 OH215125 -3.727 2.202 -3.268 2939TIP3 H115126 -3.668 2.206 -3.346 2939TIP3 H215127 -3.687 2.268 -3.208 2940TIP3 OH215128 -3.132 2.752 -3.209 2940TIP3 H115129 -3.129 2.820 -3.140 2940TIP3 H215130 -3.154 2.670 -3.161 2941TIP3 OH215131 -3.643 2.631 -2.783 2941TIP3 H115132 -3.694 2.698 -2.735 2941TIP3 H215133 -3.707 2.606 -2.853 2942TIP3 OH215134 -3.036 2.188 -4.057 2942TIP3 H115135 -2.994 2.215 -3.973 2942TIP3 H215136 -2.976 2.230 -4.122 2943TIP3 OH215137 -3.956 2.266 -2.868 2943TIP3 H115138 -3.947 2.327 -2.792 2943TIP3 H215139 -4.053 2.263 -2.878 2944TIP3 OH215140 -3.304 2.847 -3.694 2944TIP3 H115141 -3.253 2.875 -3.618 2944TIP3 H215142 -3.350 2.928 -3.720 2945TIP3 OH215143 -3.835 2.847 -2.700 2945TIP3 H115144 -3.843 2.853 -2.797 2945TIP3 H215145 -3.927 2.830 -2.672 2946TIP3 OH215146 -2.695 1.355 -4.074 2946TIP3 H115147 -2.786 1.375 -4.047 2946TIP3 H215148 -2.666 1.440 -4.109 2947TIP3 OH215149 -3.892 2.192 -3.866 2947TIP3 H115150 -3.917 2.270 -3.918 2947TIP3 H215151 -3.964 2.130 -3.888 2948TIP3 OH215152 -2.590 2.787 -4.251 2948TIP3 H115153 -2.557 2.867 -4.206 2948TIP3 H215154 -2.516 2.724 -4.242 2949TIP3 OH215155 -4.266 2.476 -3.010 2949TIP3 H115156 -4.288 2.443 -3.099 2949TIP3 H215157 -4.306 2.407 -2.954 2950TIP3 OH215158 -4.283 2.753 -3.311 2950TIP3 H115159 -4.196 2.714 -3.293 2950TIP3 H215160 -4.299 2.805 -3.232 2951TIP3 OH215161 -2.442 2.815 -2.716 2951TIP3 H115162 -2.452 2.721 -2.738 2951TIP3 H215163 -2.534 2.839 -2.691 2952TIP3 OH215164 -3.378 2.737 -2.839 2952TIP3 H115165 -3.370 2.819 -2.787 2952TIP3 H215166 -3.468 2.708 -2.816 2953TIP3 OH215167 -3.346 3.117 -3.846 2953TIP3 H115168 -3.348 3.128 -3.943 2953TIP3 H215169 -3.342 3.209 -3.815 2954TIP3 OH215170 -3.975 3.032 -3.679 2954TIP3 H115171 -3.954 2.990 -3.593 2954TIP3 H215172 -4.054 2.980 -3.703 2955TIP3 OH215173 -3.022 3.080 -4.137 2955TIP3 H115174 -2.979 3.021 -4.202 2955TIP3 H215175 -3.020 3.025 -4.057 2956TIP3 OH215176 -3.075 3.006 -3.862 2956TIP3 H115177 -3.168 3.023 -3.841 2956TIP3 H215178 -3.053 2.938 -3.796 2957TIP3 OH215179 -2.763 1.951 -2.678 2957TIP3 H115180 -2.816 1.991 -2.749 2957TIP3 H215181 -2.759 1.858 -2.707 2958TIP3 OH215182 -4.071 2.616 -2.863 2958TIP3 H115183 -4.042 2.559 -2.789 2958TIP3 H215184 -4.147 2.566 -2.901 2959TIP3 OH215185 -3.746 1.460 -3.290 2959TIP3 H115186 -3.829 1.452 -3.341 2959TIP3 H215187 -3.767 1.536 -3.234 2960TIP3 OH215188 -3.311 1.419 -2.923 2960TIP3 H115189 -3.264 1.368 -2.855 2960TIP3 H215190 -3.403 1.390 -2.912 2961TIP3 OH215191 -2.994 1.800 -2.873 2961TIP3 H115192 -3.055 1.785 -2.798 2961TIP3 H215193 -3.001 1.896 -2.888 2962TIP3 OH215194 -2.815 2.267 -4.251 2962TIP3 H115195 -2.860 2.252 -4.335 2962TIP3 H215196 -2.782 2.357 -4.266 2963TIP3 OH215197 -3.326 1.657 -4.215 2963TIP3 H115198 -3.384 1.665 -4.138 2963TIP3 H215199 -3.374 1.591 -4.267 2964TIP3 OH215200 -3.761 1.942 -3.149 2964TIP3 H115201 -3.820 1.954 -3.072 2964TIP3 H215202 -3.755 2.033 -3.184 2965TIP3 OH215203 -3.769 1.947 -3.660 2965TIP3 H115204 -3.865 1.944 -3.678 2965TIP3 H215205 -3.734 1.932 -3.750 2966TIP3 OH215206 -3.201 2.002 -3.787 2966TIP3 H115207 -3.240 2.086 -3.818 2966TIP3 H215208 -3.135 1.985 -3.857 2967TIP3 OH215209 -3.287 2.026 -2.648 2967TIP3 H115210 -3.338 1.951 -2.611 2967TIP3 H215211 -3.200 2.013 -2.605 2968TIP3 OH215212 -3.122 1.944 -3.505 2968TIP3 H115213 -3.149 2.003 -3.578 2968TIP3 H215214 -3.101 1.864 -3.557 2969TIP3 OH215215 -4.024 1.958 -2.965 2969TIP3 H115216 -3.997 1.996 -2.880 2969TIP3 H215217 -4.052 1.869 -2.938 2970TIP3 OH215218 -3.652 1.696 -4.310 2970TIP3 H115219 -3.691 1.671 -4.225 2970TIP3 H215220 -3.725 1.750 -4.348 2971TIP3 OH215221 -4.322 1.719 -3.597 2971TIP3 H115222 -4.305 1.692 -3.505 2971TIP3 H215223 -4.279 1.649 -3.647 2972TIP3 OH215224 -4.207 1.758 -4.024 2972TIP3 H115225 -4.145 1.787 -4.093 2972TIP3 H215226 -4.286 1.808 -4.045 2973TIP3 OH215227 -3.212 2.113 -3.059 2973TIP3 H115228 -3.167 2.041 -3.109 2973TIP3 H215229 -3.244 2.066 -2.981 2974TIP3 OH215230 -3.490 1.706 -3.558 2974TIP3 H115231 -3.585 1.704 -3.535 2974TIP3 H215232 -3.449 1.692 -3.471 2975TIP3 OH215233 -4.041 1.833 -3.693 2975TIP3 H115234 -4.112 1.855 -3.755 2975TIP3 H215235 -4.004 1.752 -3.732 2976TIP3 OH215236 -3.673 1.867 -3.923 2976TIP3 H115237 -3.576 1.876 -3.918 2976TIP3 H215238 -3.698 1.927 -3.996 2977TIP3 OH215239 -3.051 1.619 -3.256 2977TIP3 H115240 -3.114 1.623 -3.181 2977TIP3 H215241 -3.111 1.590 -3.326 2978TIP3 OH215242 -3.812 1.982 -4.158 2978TIP3 H115243 -3.874 1.934 -4.216 2978TIP3 H215244 -3.739 2.003 -4.218 2979TIP3 OH215245 -2.751 3.200 -2.589 2979TIP3 H115246 -2.729 3.246 -2.672 2979TIP3 H215247 -2.680 3.231 -2.530 2980TIP3 OH215248 -3.953 2.460 -2.647 2980TIP3 H115249 -3.890 2.465 -2.572 2980TIP3 H215250 -4.037 2.472 -2.598 2981TIP3 OH215251 -3.390 1.961 -3.376 2981TIP3 H115252 -3.314 1.921 -3.420 2981TIP3 H215253 -3.404 1.901 -3.300 2982TIP3 OH215254 -3.871 1.599 -3.753 2982TIP3 H115255 -3.914 1.513 -3.749 2982TIP3 H215256 -3.789 1.578 -3.799 2983TIP3 OH215257 -3.492 1.807 -3.149 2983TIP3 H115258 -3.569 1.867 -3.150 2983TIP3 H215259 -3.444 1.834 -3.069 2984TIP3 OH215260 -3.475 2.445 -3.960 2984TIP3 H115261 -3.553 2.398 -3.995 2984TIP3 H215262 -3.496 2.452 -3.864 2985TIP3 OH215263 -2.754 2.363 -3.087 2985TIP3 H115264 -2.705 2.418 -3.151 2985TIP3 H215265 -2.840 2.353 -3.133 2986TIP3 OH215266 -3.060 1.723 -4.182 2986TIP3 H115267 -3.158 1.723 -4.188 2986TIP3 H215268 -3.040 1.801 -4.127 2987TIP3 OH215269 -3.315 2.448 -2.828 2987TIP3 H115270 -3.343 2.418 -2.741 2987TIP3 H215271 -3.343 2.540 -2.829 2988TIP3 OH215272 -3.000 1.909 -3.988 2988TIP3 H115273 -2.914 1.893 -3.946 2988TIP3 H215274 -2.987 1.997 -4.029 2989TIP3 OH215275 -3.978 2.377 -3.391 2989TIP3 H115276 -3.910 2.371 -3.460 2989TIP3 H215277 -3.961 2.296 -3.339 2990TIP3 OH215278 -3.233 2.581 -4.069 2990TIP3 H115279 -3.262 2.670 -4.038 2990TIP3 H215280 -3.311 2.528 -4.042 2991TIP3 OH215281 -4.238 2.231 -2.823 2991TIP3 H115282 -4.231 2.166 -2.752 2991TIP3 H215283 -4.287 2.180 -2.892 2992TIP3 OH215284 -3.541 2.164 -2.653 2992TIP3 H115285 -3.575 2.139 -2.740 2992TIP3 H215286 -3.447 2.137 -2.662 2993TIP3 OH215287 -3.088 2.704 -2.881 2993TIP3 H115288 -3.184 2.716 -2.887 2993TIP3 H215289 -3.070 2.733 -2.789 2994TIP3 OH215290 -2.531 1.921 -3.999 2994TIP3 H115291 -2.593 1.901 -4.072 2994TIP3 H215292 -2.517 2.016 -4.017 2995TIP3 OH215293 -2.489 2.514 -2.723 2995TIP3 H115294 -2.582 2.537 -2.743 2995TIP3 H215295 -2.454 2.499 -2.813 2996TIP3 OH215296 -2.709 2.774 -3.992 2996TIP3 H115297 -2.735 2.698 -3.939 2996TIP3 H215298 -2.672 2.734 -4.072 2997TIP3 OH215299 -2.990 2.306 -3.256 2997TIP3 H115300 -3.083 2.292 -3.280 2997TIP3 H215301 -2.946 2.235 -3.306 2998TIP3 OH215302 -3.727 2.715 -3.651 2998TIP3 H115303 -3.686 2.802 -3.664 2998TIP3 H215304 -3.819 2.733 -3.675 2999TIP3 OH215305 -4.150 2.194 -4.163 2999TIP3 H115306 -4.078 2.257 -4.143 2999TIP3 H215307 -4.221 2.257 -4.187 3000TIP3 OH215308 -3.544 2.484 -3.691 3000TIP3 H115309 -3.571 2.575 -3.675 3000TIP3 H215310 -3.615 2.434 -3.648 3001TIP3 OH215311 -3.526 2.910 -3.055 3001TIP3 H115312 -3.471 2.985 -3.084 3001TIP3 H215313 -3.464 2.861 -2.998 3002TIP3 OH215314 -3.682 3.004 -3.733 3002TIP3 H115315 -3.777 3.018 -3.724 3002TIP3 H215316 -3.647 3.092 -3.708 3003TIP3 OH215317 -3.186 2.484 -3.099 3003TIP3 H115318 -3.214 2.458 -3.009 3003TIP3 H215319 -3.112 2.424 -3.115 3004TIP3 OH215320 -2.969 2.612 -4.194 3004TIP3 H115321 -2.921 2.568 -4.122 3004TIP3 H215322 -3.060 2.604 -4.160 3005TIP3 OH215323 -2.891 2.942 -2.859 3005TIP3 H115324 -2.967 2.898 -2.902 3005TIP3 H215325 -2.880 3.022 -2.914 3006TIP3 OH215326 -2.481 3.059 -4.160 3006TIP3 H115327 -2.411 3.126 -4.145 3006TIP3 H215328 -2.560 3.111 -4.136 3007TIP3 OH215329 -4.100 1.687 -2.887 3007TIP3 H115330 -4.186 1.724 -2.915 3007TIP3 H215331 -4.123 1.602 -2.846 3008TIP3 OH215332 -2.871 2.473 -3.968 3008TIP3 H115333 -2.897 2.403 -3.906 3008TIP3 H215334 -2.774 2.471 -3.960 3009TIP3 OH215335 -4.128 2.857 -3.046 3009TIP3 H115336 -4.109 2.763 -3.035 3009TIP3 H215337 -4.095 2.892 -2.962 3010TIP3 OH215338 -3.520 2.717 -4.327 3010TIP3 H115339 -3.482 2.631 -4.354 3010TIP3 H215340 -3.574 2.690 -4.250 3011TIP3 OH215341 -3.662 2.672 -4.078 3011TIP3 H115342 -3.613 2.621 -4.012 3011TIP3 H215343 -3.645 2.764 -4.050 3012TIP3 OH215344 -3.984 2.409 -4.038 3012TIP3 H115345 -4.058 2.449 -3.987 3012TIP3 H215346 -3.941 2.491 -4.068 3013TIP3 OH215347 -3.206 1.660 -3.037 3013TIP3 H115348 -3.149 1.691 -2.966 3013TIP3 H215349 -3.260 1.591 -2.994 3014TIP3 OH215350 -3.146 1.617 -3.921 3014TIP3 H115351 -3.122 1.669 -3.999 3014TIP3 H215352 -3.101 1.664 -3.850 3015TIP3 OH215353 -3.369 2.831 -4.028 3015TIP3 H115354 -3.447 2.882 -4.003 3015TIP3 H215355 -3.317 2.898 -4.075 3016TIP3 OH215356 -3.404 1.806 -3.815 3016TIP3 H115357 -3.328 1.866 -3.802 3016TIP3 H215358 -3.434 1.792 -3.723 3017TIP3 OH215359 -3.368 1.895 -2.900 3017TIP3 H115360 -3.365 1.950 -2.819 3017TIP3 H215361 -3.313 1.821 -2.874 3018TIP3 OH215362 -3.338 1.510 -3.721 3018TIP3 H115363 -3.364 1.581 -3.659 3018TIP3 H215364 -3.271 1.556 -3.775 3019TIP3 OH215365 -3.648 2.949 -4.025 3019TIP3 H115366 -3.645 3.034 -4.074 3019TIP3 H215367 -3.662 2.979 -3.933 3020TIP3 OH215368 -3.773 1.616 -4.074 3020TIP3 H115369 -3.771 1.694 -4.015 3020TIP3 H215370 -3.695 1.566 -4.042 3021TIP3 OH215371 -2.741 1.699 -2.811 3021TIP3 H115372 -2.837 1.712 -2.826 3021TIP3 H215373 -2.714 1.678 -2.901 3022TIP3 OH215374 -2.890 2.082 -3.409 3022TIP3 H115375 -2.972 2.037 -3.435 3022TIP3 H215376 -2.842 2.010 -3.361 3023TIP3 OH215377 -3.934 2.698 -4.152 3023TIP3 H115378 -3.851 2.728 -4.113 3023TIP3 H215379 -3.902 2.657 -4.234 3024TIP3 OH215380 -4.099 1.926 -4.267 3024TIP3 H115381 -4.103 2.016 -4.229 3024TIP3 H215382 -4.192 1.907 -4.288 3025TIP3 OH215383 -2.787 2.967 -3.269 3025TIP3 H115384 -2.805 3.049 -3.320 3025TIP3 H215385 -2.694 2.982 -3.245 3026TIP3 OH215386 -4.024 1.408 -3.375 3026TIP3 H115387 -4.057 1.409 -3.466 3026TIP3 H215388 -4.071 1.331 -3.338 3027TIP3 OH215389 -4.134 2.782 -3.744 3027TIP3 H115390 -4.227 2.809 -3.741 3027TIP3 H215391 -4.105 2.816 -3.830 3028TIP3 OH215392 -4.214 3.052 -2.623 3028TIP3 H115393 -4.151 3.053 -2.549 3028TIP3 H215394 -4.215 2.956 -2.638 3029TIP3 OH215395 -3.726 2.965 -2.450 3029TIP3 H115396 -3.657 2.900 -2.429 3029TIP3 H215397 -3.750 2.938 -2.540 3030TIP3 OH215398 -3.305 2.901 -4.332 3030TIP3 H115399 -3.386 2.846 -4.327 3030TIP3 H215400 -3.240 2.832 -4.352 3031TIP3 OH215401 -3.080 2.792 -2.593 3031TIP3 H115402 -3.119 2.711 -2.555 3031TIP3 H215403 -3.011 2.815 -2.528 3032TIP3 OH215404 -2.919 2.873 -4.289 3032TIP3 H115405 -2.895 2.791 -4.243 3032TIP3 H215406 -2.833 2.911 -4.316 3033TIP3 OH215407 -4.200 2.457 -2.561 3033TIP3 H115408 -4.190 2.368 -2.598 3033TIP3 H215409 -4.287 2.484 -2.594 3034TIP3 OH215410 -3.779 2.464 -4.315 3034TIP3 H115411 -3.753 2.413 -4.236 3034TIP3 H215412 -3.699 2.466 -4.370 3035TIP3 OH215413 -3.538 2.441 -2.582 3035TIP3 H115414 -3.569 2.474 -2.668 3035TIP3 H215415 -3.532 2.345 -2.598 3036TIP3 OH215416 -3.245 2.581 -4.348 3036TIP3 H115417 -3.230 2.593 -4.252 3036TIP3 H215418 -3.180 2.513 -4.371 3037TIP3 OH215419 -3.001 2.403 -2.844 3037TIP3 H115420 -2.923 2.457 -2.863 3037TIP3 H215421 -3.071 2.470 -2.845 3038TIP3 OH215422 -4.135 2.125 -2.584 3038TIP3 H115423 -4.054 2.073 -2.595 3038TIP3 H215424 -4.123 2.158 -2.493 3039TIP3 OH215425 -3.674 2.274 -4.091 3039TIP3 H115426 -3.736 2.228 -4.031 3039TIP3 H215427 -3.639 2.200 -4.144 3040TIP3 OH215428 -3.750 2.048 -2.856 3040TIP3 H115429 -3.805 2.127 -2.838 3040TIP3 H215430 -3.684 2.084 -2.918 3041TIP3 OH215431 -3.554 2.080 -4.272 3041TIP3 H115432 -3.551 2.060 -4.367 3041TIP3 H215433 -3.458 2.080 -4.251 3042TIP3 OH215434 -3.219 2.319 -2.500 3042TIP3 H115435 -3.130 2.300 -2.532 3042TIP3 H215436 -3.244 2.235 -2.460 3043TIP3 OH215437 -3.692 1.778 -2.741 3043TIP3 H115438 -3.684 1.712 -2.813 3043TIP3 H215439 -3.712 1.859 -2.791 3044TIP3 OH215440 -3.656 1.621 -2.998 3044TIP3 H115441 -3.605 1.677 -3.060 3044TIP3 H215442 -3.747 1.627 -3.033 3045TIP3 OH215443 -3.501 2.169 -2.957 3045TIP3 H115444 -3.417 2.162 -3.005 3045TIP3 H215445 -3.533 2.256 -2.987 3046TIP3 OH215446 -3.045 1.962 -2.479 3046TIP3 H115447 -3.022 1.869 -2.464 3046TIP3 H215448 -2.957 2.003 -2.484 3047TIP3 OH215449 -2.947 2.242 -2.629 3047TIP3 H115450 -2.982 2.303 -2.697 3047TIP3 H215451 -2.857 2.228 -2.665 3048TIP3 OH215452 -3.881 1.968 -2.566 3048TIP3 H115453 -3.930 1.884 -2.564 3048TIP3 H215454 -3.797 1.941 -2.607 3049TIP3 OH215455 -3.579 1.354 -2.970 3049TIP3 H115456 -3.598 1.449 -2.983 3049TIP3 H215457 -3.654 1.314 -3.019 3050TIP3 OH215458 -3.458 1.814 -2.583 3050TIP3 H115459 -3.492 1.793 -2.494 3050TIP3 H215460 -3.538 1.795 -2.636 3051TIP3 OH215461 -3.205 1.717 -2.698 3051TIP3 H115462 -3.293 1.724 -2.655 3051TIP3 H215463 -3.158 1.657 -2.637 3052TIP3 OH215464 -3.021 1.568 -2.524 3052TIP3 H115465 -3.035 1.472 -2.507 3052TIP3 H215466 -3.038 1.608 -2.436 3053TIP3 OH215467 -4.017 1.712 -2.580 3053TIP3 H115468 -4.015 1.639 -2.644 3053TIP3 H215469 -4.031 1.666 -2.495 3054TIP3 OH215470 -3.601 1.307 -2.681 3054TIP3 H115471 -3.543 1.230 -2.672 3054TIP3 H215472 -3.601 1.322 -2.777 3055TIP3 OH215473 -3.505 1.494 -2.497 3055TIP3 H115474 -3.537 1.433 -2.566 3055TIP3 H215475 -3.575 1.560 -2.491 3056TIP3 OH215476 -3.593 3.197 -4.172 3056TIP3 H115477 -3.498 3.213 -4.163 3056TIP3 H215478 -3.619 3.257 -4.243 3057TIP3 OH215479 -4.190 2.641 -4.233 3057TIP3 H115480 -4.102 2.662 -4.193 3057TIP3 H215481 -4.172 2.559 -4.280 3058TIP3 OH215482 -4.275 2.965 -3.524 3058TIP3 H115483 -4.277 2.876 -3.486 3058TIP3 H215484 -4.243 3.015 -3.447 3059TIP3 OH215485 -2.517 3.086 -3.218 3059TIP3 H115486 -2.498 3.083 -3.123 3059TIP3 H215487 -2.431 3.113 -3.254 3060TIP3 OH215488 -2.528 3.030 -2.930 3060TIP3 H115489 -2.576 2.954 -2.968 3060TIP3 H215490 -2.468 2.984 -2.869 3061TIP3 OH215491 -2.726 2.571 -2.501 3061TIP3 H115492 -2.815 2.581 -2.463 3061TIP3 H215493 -2.681 2.652 -2.473 3062TIP3 OH215494 -2.586 2.456 -3.930 3062TIP3 H115495 -2.497 2.493 -3.917 3062TIP3 H215496 -2.589 2.393 -3.856 3063TIP3 OH215497 -2.541 2.256 -3.732 3063TIP3 H115498 -2.607 2.200 -3.687 3063TIP3 H215499 -2.472 2.270 -3.664 3064TIP3 OH215500 -2.568 2.508 -3.234 3064TIP3 H115501 -2.505 2.460 -3.291 3064TIP3 H215502 -2.554 2.600 -3.262 3065TIP3 OH215503 -2.696 2.798 -3.008 3065TIP3 H115504 -2.769 2.841 -2.960 3065TIP3 H215505 -2.742 2.764 -3.088 3066TIP3 OH215506 -2.515 2.221 -4.106 3066TIP3 H115507 -2.574 2.253 -4.176 3066TIP3 H215508 -2.530 2.290 -4.039 3067TIP3 OH215509 -2.693 1.959 -4.218 3067TIP3 H115510 -2.663 2.037 -4.267 3067TIP3 H215511 -2.645 1.889 -4.263 3068TIP3 OH215512 -2.747 2.070 -3.650 3068TIP3 H115513 -2.756 1.975 -3.666 3068TIP3 H215514 -2.785 2.080 -3.560 3069TIP3 OH215515 -4.256 2.321 -3.253 3069TIP3 H115516 -4.222 2.345 -3.341 3069TIP3 H215517 -4.177 2.280 -3.213 3070TIP3 OH215518 -2.686 2.264 -2.736 3070TIP3 H115519 -2.612 2.204 -2.718 3070TIP3 H215520 -2.642 2.347 -2.756 3071TIP3 OH215521 -2.530 2.074 -2.613 3071TIP3 H115522 -2.610 2.022 -2.636 3071TIP3 H215523 -2.460 2.006 -2.617 3072TIP3 OH215524 -2.765 1.633 -4.339 3072TIP3 H115525 -2.710 1.625 -4.261 3072TIP3 H215526 -2.855 1.609 -4.309 3073TIP3 OH215527 -2.767 1.824 -3.836 3073TIP3 H115528 -2.738 1.730 -3.829 3073TIP3 H215529 -2.687 1.864 -3.872 3074TIP3 OH215530 -2.737 1.881 -3.289 3074TIP3 H115531 -2.640 1.893 -3.293 3074TIP3 H215532 -2.751 1.887 -3.193 3075TIP3 OH215533 -2.721 1.951 -3.008 3075TIP3 H115534 -2.806 1.991 -2.980 3075TIP3 H215535 -2.668 2.031 -3.028 3076TIP3 OH215536 -4.285 1.815 -2.647 3076TIP3 H115537 -4.195 1.778 -2.643 3076TIP3 H215538 -4.343 1.741 -2.625 3077TIP3 OH215539 -2.462 1.368 -2.476 3077TIP3 H115540 -2.423 1.297 -2.531 3077TIP3 H215541 -2.461 1.444 -2.537 3078TIP3 OH215542 -2.705 1.553 -3.829 3078TIP3 H115543 -2.697 1.514 -3.740 3078TIP3 H215544 -2.784 1.505 -3.863 3079TIP3 OH215545 -4.195 1.671 -3.329 3079TIP3 H115546 -4.159 1.581 -3.332 3079TIP3 H215547 -4.115 1.724 -3.311 3080TIP3 OH215548 -4.334 1.933 -3.245 3080TIP3 H115549 -4.294 1.882 -3.317 3080TIP3 H215550 -4.317 2.024 -3.273 3081TIP3 OH215551 -2.527 1.571 -2.654 3081TIP3 H115552 -2.615 1.612 -2.649 3081TIP3 H215553 -2.538 1.516 -2.734 3082TIP3 OH215554 -2.512 1.586 -4.175 3082TIP3 H115555 -2.486 1.518 -4.238 3082TIP3 H215556 -2.430 1.639 -4.170 3083TIP3 OH215557 -4.314 1.545 -3.895 3083TIP3 H115558 -4.399 1.576 -3.931 3083TIP3 H215559 -4.255 1.615 -3.930 3084TIP3 OH215560 -2.828 3.086 -3.641 3084TIP3 H115561 -2.779 3.062 -3.721 3084TIP3 H215562 -2.760 3.128 -3.587 3085TIP3 OH215563 -4.291 1.439 -3.059 3085TIP3 H115564 -4.359 1.432 -2.987 3085TIP3 H215565 -4.334 1.491 -3.128 3086TIP3 OH215566 -4.118 2.794 -2.589 3086TIP3 H115567 -4.169 2.732 -2.641 3086TIP3 H215568 -4.133 2.761 -2.498 3087TIP3 OH215569 -3.802 2.860 -2.997 3087TIP3 H115570 -3.833 2.944 -3.036 3087TIP3 H215571 -3.706 2.869 -3.016 3088TIP3 OH215572 -3.352 2.989 -2.699 3088TIP3 H115573 -3.337 2.973 -2.604 3088TIP3 H215574 -3.269 3.035 -2.724 3089TIP3 OH215575 -3.124 3.135 -2.774 3089TIP3 H115576 -3.054 3.071 -2.798 3089TIP3 H215577 -3.092 3.166 -2.687 3090TIP3 OH215578 -2.648 1.392 -2.858 3090TIP3 H115579 -2.722 1.420 -2.915 3090TIP3 H215580 -2.626 1.304 -2.894 3091TIP3 OH215581 -4.070 3.164 -2.974 3091TIP3 H115582 -4.137 3.216 -3.022 3091TIP3 H215583 -4.101 3.173 -2.883 3092TIP3 OH215584 -3.818 3.132 -3.110 3092TIP3 H115585 -3.905 3.151 -3.069 3092TIP3 H215586 -3.814 3.198 -3.181 3093TIP3 OH215587 -3.342 3.131 -3.155 3093TIP3 H115588 -3.379 3.176 -3.233 3093TIP3 H215589 -3.332 3.206 -3.093 3094TIP3 OH215590 -3.108 3.002 -3.063 3094TIP3 H115591 -3.193 3.039 -3.096 3094TIP3 H215592 -3.051 3.080 -3.066 3095TIP3 OH215593 -2.856 3.175 -3.045 3095TIP3 H115594 -2.859 3.271 -3.066 3095TIP3 H215595 -2.826 3.140 -3.130 3096TIP3 OH215596 -4.125 3.040 -3.276 3096TIP3 H115597 -4.134 2.995 -3.190 3096TIP3 H215598 -4.049 2.993 -3.315 3097TIP3 OH215599 -3.910 2.914 -3.424 3097TIP3 H115600 -3.926 2.821 -3.398 3097TIP3 H215601 -3.819 2.929 -3.392 3098TIP3 OH215602 -3.630 2.956 -3.339 3098TIP3 H115603 -3.612 2.863 -3.362 3098TIP3 H215604 -3.624 2.952 -3.243 3099TIP3 OH215605 -3.295 1.546 -3.407 3099TIP3 H115606 -3.362 1.478 -3.388 3099TIP3 H215607 -3.239 1.501 -3.472 3100TIP3 OH215608 -2.801 1.344 -3.369 3100TIP3 H115609 -2.724 1.392 -3.405 3100TIP3 H215610 -2.875 1.382 -3.420 3101TIP3 OH215611 -2.595 1.456 -3.576 3101TIP3 H115612 -2.523 1.414 -3.626 3101TIP3 H215613 -2.562 1.548 -3.567 3102TIP3 OH215614 -4.107 1.403 -3.654 3102TIP3 H115615 -4.179 1.376 -3.712 3102TIP3 H215616 -4.045 1.328 -3.666 3103TIP3 OH215617 -4.180 1.368 -4.080 3103TIP3 H115618 -4.130 1.434 -4.134 3103TIP3 H215619 -4.229 1.426 -4.020 3104TIP3 OH215620 -3.614 1.396 -3.660 3104TIP3 H115621 -3.523 1.427 -3.675 3104TIP3 H215622 -3.615 1.386 -3.564 3105TIP3 OH215623 -3.050 1.402 -3.521 3105TIP3 H115624 -3.032 1.394 -3.616 3105TIP3 H215625 -3.094 1.317 -3.501 3106TIP3 OH215626 -2.936 1.433 -3.915 3106TIP3 H115627 -3.011 1.487 -3.946 3106TIP3 H215628 -2.979 1.346 -3.918 3107TIP3 OH215629 -4.180 2.979 -3.982 3107TIP3 H115630 -4.253 2.964 -4.043 3107TIP3 H215631 -4.190 3.072 -3.963 3108TIP3 OH215632 -4.011 1.546 -4.231 3108TIP3 H115633 -3.957 1.485 -4.283 3108TIP3 H215634 -3.943 1.591 -4.177 3109TIP3 OH215635 -3.504 1.563 -3.958 3109TIP3 H115636 -3.465 1.507 -3.890 3109TIP3 H215637 -3.477 1.651 -3.926 3110TIP3 OH215638 -3.297 3.124 -4.145 3110TIP3 H115639 -3.200 3.137 -4.150 3110TIP3 H215640 -3.309 3.064 -4.221 3111TIP3 OH215641 -2.636 3.044 -3.884 3111TIP3 H115642 -2.665 2.961 -3.927 3111TIP3 H215643 -2.657 3.110 -3.953 3112TIP3 OH215644 -4.077 1.438 -2.707 3112TIP3 H115645 -4.124 1.366 -2.662 3112TIP3 H215646 -3.987 1.426 -2.672 3113TIP3 OH215647 -3.845 1.378 -2.529 3113TIP3 H115648 -3.763 1.342 -2.566 3113TIP3 H215649 -3.878 1.300 -2.480 3114TIP3 OH215650 -3.967 3.065 -4.250 3114TIP3 H115651 -4.020 3.097 -4.176 3114TIP3 H215652 -3.917 2.992 -4.213 3115TIP3 OH215653 -3.033 1.288 -2.516 3115TIP3 H115654 -3.032 1.245 -2.429 3115TIP3 H215655 -2.938 1.286 -2.539 3116TIP3 OH215656 -2.696 2.922 -2.639 3116TIP3 H115657 -2.768 2.904 -2.702 3116TIP3 H215658 -2.711 3.016 -2.621 3117TIP3 OH215659 -1.273 2.293 -3.632 3117TIP3 H115660 -1.277 2.388 -3.613 3117TIP3 H215661 -1.352 2.280 -3.685 3118TIP3 OH215662 -1.385 2.233 -3.322 3118TIP3 H115663 -1.390 2.180 -3.241 3118TIP3 H215664 -1.418 2.170 -3.388 3119TIP3 OH215665 -2.141 2.192 -3.153 3119TIP3 H115666 -2.142 2.118 -3.089 3119TIP3 H215667 -2.071 2.248 -3.116 3120TIP3 OH215668 -1.019 2.506 -3.488 3120TIP3 H115669 -1.059 2.438 -3.433 3120TIP3 H215670 -0.997 2.573 -3.422 3121TIP3 OH215671 -2.078 2.654 -3.299 3121TIP3 H115672 -2.099 2.563 -3.327 3121TIP3 H215673 -1.982 2.646 -3.284 3122TIP3 OH215674 -2.377 1.995 -3.762 3122TIP3 H115675 -2.415 2.084 -3.752 3122TIP3 H215676 -2.447 1.949 -3.809 3123TIP3 OH215677 -2.297 2.242 -3.579 3123TIP3 H115678 -2.281 2.159 -3.529 3123TIP3 H215679 -2.213 2.255 -3.624 3124TIP3 OH215680 -1.294 3.057 -3.415 3124TIP3 H115681 -1.284 2.983 -3.477 3124TIP3 H215682 -1.335 3.012 -3.339 3125TIP3 OH215683 -1.541 2.484 -3.262 3125TIP3 H115684 -1.507 2.414 -3.321 3125TIP3 H215685 -1.459 2.501 -3.211 3126TIP3 OH215686 -0.669 1.637 -3.203 3126TIP3 H115687 -0.648 1.697 -3.129 3126TIP3 H215688 -0.610 1.671 -3.272 3127TIP3 OH215689 -1.210 1.918 -3.212 3127TIP3 H115690 -1.196 1.822 -3.208 3127TIP3 H215691 -1.220 1.932 -3.308 3128TIP3 OH215692 -1.914 1.720 -3.505 3128TIP3 H115693 -1.900 1.805 -3.550 3128TIP3 H215694 -1.950 1.668 -3.579 3129TIP3 OH215695 -1.130 1.735 -3.674 3129TIP3 H115696 -1.072 1.692 -3.608 3129TIP3 H215697 -1.064 1.779 -3.730 3130TIP3 OH215698 -2.245 1.992 -3.453 3130TIP3 H115699 -2.181 1.945 -3.397 3130TIP3 H215700 -2.236 1.944 -3.538 3131TIP3 OH215701 -1.706 2.132 -3.509 3131TIP3 H115702 -1.637 2.076 -3.468 3131TIP3 H215703 -1.757 2.065 -3.559 3132TIP3 OH215704 -0.603 1.774 -2.952 3132TIP3 H115705 -0.662 1.846 -2.980 3132TIP3 H215706 -0.619 1.773 -2.857 3133TIP3 OH215707 -2.033 1.599 -3.088 3133TIP3 H115708 -2.073 1.649 -3.161 3133TIP3 H215709 -2.099 1.613 -3.018 3134TIP3 OH215710 -1.281 2.593 -3.753 3134TIP3 H115711 -1.327 2.561 -3.830 3134TIP3 H215712 -1.334 2.670 -3.727 3135TIP3 OH215713 -1.740 2.387 -3.076 3135TIP3 H115714 -1.813 2.447 -3.051 3135TIP3 H215715 -1.679 2.447 -3.121 3136TIP3 OH215716 -0.946 1.662 -3.470 3136TIP3 H115717 -0.985 1.600 -3.406 3136TIP3 H215718 -0.895 1.721 -3.413 3137TIP3 OH215719 -2.073 1.803 -3.295 3137TIP3 H115720 -2.009 1.861 -3.249 3137TIP3 H215721 -2.016 1.766 -3.366 3138TIP3 OH215722 -1.942 2.573 -3.002 3138TIP3 H115723 -1.944 2.664 -3.038 3138TIP3 H215724 -2.029 2.572 -2.958 3139TIP3 OH215725 -2.312 2.547 -3.917 3139TIP3 H115726 -2.329 2.591 -4.003 3139TIP3 H215727 -2.294 2.621 -3.856 3140TIP3 OH215728 -0.965 2.689 -3.240 3140TIP3 H115729 -1.062 2.701 -3.236 3140TIP3 H215730 -0.938 2.776 -3.274 3141TIP3 OH215731 -0.931 1.578 -3.086 3141TIP3 H115732 -1.009 1.615 -3.132 3141TIP3 H215733 -0.860 1.594 -3.151 3142TIP3 OH215734 -1.620 1.348 -3.381 3142TIP3 H115735 -1.643 1.253 -3.386 3142TIP3 H215736 -1.702 1.387 -3.344 3143TIP3 OH215737 -1.138 2.875 -3.593 3143TIP3 H115738 -1.081 2.804 -3.627 3143TIP3 H215739 -1.078 2.951 -3.592 3144TIP3 OH215740 -0.979 2.660 -3.730 3144TIP3 H115741 -1.051 2.625 -3.785 3144TIP3 H215742 -0.991 2.608 -3.648 3145TIP3 OH215743 -0.833 2.551 -2.870 3145TIP3 H115744 -0.847 2.489 -2.944 3145TIP3 H215745 -0.826 2.636 -2.917 3146TIP3 OH215746 -1.406 2.239 -3.905 3146TIP3 H115747 -1.474 2.302 -3.936 3146TIP3 H215748 -1.336 2.251 -3.971 3147TIP3 OH215749 -1.389 2.065 -4.207 3147TIP3 H115750 -1.322 2.095 -4.144 3147TIP3 H215751 -1.334 2.004 -4.262 3148TIP3 OH215752 -0.660 2.170 -3.076 3148TIP3 H115753 -0.734 2.234 -3.068 3148TIP3 H215754 -0.614 2.206 -3.155 3149TIP3 OH215755 -1.057 2.243 -3.795 3149TIP3 H115756 -1.127 2.265 -3.729 3149TIP3 H215757 -1.000 2.184 -3.741 3150TIP3 OH215758 -1.075 2.095 -2.909 3150TIP3 H115759 -1.069 2.178 -2.858 3150TIP3 H215760 -1.139 2.125 -2.977 3151TIP3 OH215761 -1.901 2.318 -3.615 3151TIP3 H115762 -1.930 2.276 -3.698 3151TIP3 H215763 -1.832 2.257 -3.583 3152TIP3 OH215764 -1.771 2.650 -3.339 3152TIP3 H115765 -1.772 2.628 -3.433 3152TIP3 H215766 -1.686 2.613 -3.310 3153TIP3 OH215767 -1.838 2.198 -3.266 3153TIP3 H115768 -1.783 2.205 -3.346 3153TIP3 H215769 -1.802 2.269 -3.208 3154TIP3 OH215770 -1.241 2.749 -3.207 3154TIP3 H115771 -1.244 2.820 -3.141 3154TIP3 H215772 -1.268 2.670 -3.158 3155TIP3 OH215773 -1.758 2.628 -2.781 3155TIP3 H115774 -1.806 2.699 -2.734 3155TIP3 H215775 -1.820 2.607 -2.853 3156TIP3 OH215776 -1.150 2.187 -4.056 3156TIP3 H115777 -1.109 2.214 -3.971 3156TIP3 H215778 -1.091 2.232 -4.120 3157TIP3 OH215779 -2.062 2.269 -2.869 3157TIP3 H115780 -2.057 2.330 -2.793 3157TIP3 H215781 -2.158 2.260 -2.879 3158TIP3 OH215782 -1.944 2.847 -2.703 3158TIP3 H115783 -1.955 2.856 -2.800 3158TIP3 H215784 -2.034 2.822 -2.673 3159TIP3 OH215785 -0.808 1.352 -4.077 3159TIP3 H115786 -0.902 1.367 -4.054 3159TIP3 H215787 -0.779 1.442 -4.100 3160TIP3 OH215788 -2.006 2.193 -3.863 3160TIP3 H115789 -2.029 2.270 -3.919 3160TIP3 H215790 -2.074 2.129 -3.889 3161TIP3 OH215791 -0.666 2.764 -4.206 3161TIP3 H115792 -0.678 2.861 -4.205 3161TIP3 H215793 -0.586 2.753 -4.258 3162TIP3 OH215794 -2.401 2.461 -2.990 3162TIP3 H115795 -2.444 2.462 -3.077 3162TIP3 H215796 -2.388 2.365 -2.974 3163TIP3 OH215797 -2.395 2.752 -3.295 3163TIP3 H115798 -2.302 2.725 -3.293 3163TIP3 H215799 -2.398 2.815 -3.222 3164TIP3 OH215800 -0.557 2.814 -2.718 3164TIP3 H115801 -0.569 2.719 -2.736 3164TIP3 H215802 -0.648 2.840 -2.691 3165TIP3 OH215803 -1.491 2.735 -2.839 3165TIP3 H115804 -1.483 2.819 -2.790 3165TIP3 H215805 -1.582 2.708 -2.816 3166TIP3 OH215806 -2.071 3.039 -3.691 3166TIP3 H115807 -2.037 2.994 -3.611 3166TIP3 H215808 -2.148 2.986 -3.712 3167TIP3 OH215809 -1.133 3.072 -4.148 3167TIP3 H115810 -1.088 3.009 -4.208 3167TIP3 H215811 -1.136 3.023 -4.064 3168TIP3 OH215812 -1.209 3.008 -3.858 3168TIP3 H115813 -1.303 3.022 -3.835 3168TIP3 H215814 -1.183 2.947 -3.787 3169TIP3 OH215815 -0.879 1.950 -2.678 3169TIP3 H115816 -0.929 1.991 -2.750 3169TIP3 H215817 -0.873 1.858 -2.708 3170TIP3 OH215818 -2.183 2.616 -2.864 3170TIP3 H115819 -2.155 2.567 -2.784 3170TIP3 H215820 -2.255 2.561 -2.899 3171TIP3 OH215821 -1.861 1.463 -3.291 3171TIP3 H115822 -1.945 1.457 -3.341 3171TIP3 H215823 -1.883 1.535 -3.230 3172TIP3 OH215824 -1.425 1.413 -2.920 3172TIP3 H115825 -1.378 1.347 -2.866 3172TIP3 H215826 -1.519 1.386 -2.911 3173TIP3 OH215827 -1.108 1.800 -2.873 3173TIP3 H115828 -1.169 1.786 -2.798 3173TIP3 H215829 -1.115 1.896 -2.889 3174TIP3 OH215830 -0.920 2.267 -4.255 3174TIP3 H115831 -0.978 2.252 -4.331 3174TIP3 H215832 -0.905 2.361 -4.265 3175TIP3 OH215833 -1.442 1.659 -4.216 3175TIP3 H115834 -1.497 1.664 -4.137 3175TIP3 H215835 -1.488 1.591 -4.266 3176TIP3 OH215836 -1.875 1.941 -3.148 3176TIP3 H115837 -1.935 1.954 -3.072 3176TIP3 H215838 -1.867 2.033 -3.184 3177TIP3 OH215839 -1.882 1.949 -3.660 3177TIP3 H115840 -1.977 1.940 -3.677 3177TIP3 H215841 -1.847 1.930 -3.750 3178TIP3 OH215842 -1.314 2.003 -3.785 3178TIP3 H115843 -1.355 2.087 -3.818 3178TIP3 H215844 -1.251 1.984 -3.857 3179TIP3 OH215845 -1.400 2.025 -2.649 3179TIP3 H115846 -1.452 1.952 -2.611 3179TIP3 H215847 -1.313 2.013 -2.606 3180TIP3 OH215848 -1.236 1.944 -3.505 3180TIP3 H115849 -1.264 2.002 -3.579 3180TIP3 H215850 -1.214 1.863 -3.556 3181TIP3 OH215851 -2.144 1.958 -2.964 3181TIP3 H115852 -2.113 1.989 -2.878 3181TIP3 H215853 -2.176 1.869 -2.942 3182TIP3 OH215854 -1.767 1.697 -4.314 3182TIP3 H115855 -1.803 1.672 -4.227 3182TIP3 H215856 -1.842 1.750 -4.349 3183TIP3 OH215857 -2.459 1.702 -3.599 3183TIP3 H115858 -2.395 1.701 -3.525 3183TIP3 H215859 -2.407 1.667 -3.673 3184TIP3 OH215860 -2.300 1.749 -4.038 3184TIP3 H115861 -2.244 1.797 -4.102 3184TIP3 H215862 -2.367 1.816 -4.017 3185TIP3 OH215863 -1.326 2.113 -3.059 3185TIP3 H115864 -1.282 2.041 -3.109 3185TIP3 H215865 -1.359 2.066 -2.981 3186TIP3 OH215866 -1.604 1.707 -3.557 3186TIP3 H115867 -1.699 1.704 -3.536 3186TIP3 H215868 -1.564 1.690 -3.470 3187TIP3 OH215869 -2.149 1.829 -3.689 3187TIP3 H115870 -2.230 1.858 -3.736 3187TIP3 H215871 -2.120 1.752 -3.740 3188TIP3 OH215872 -1.787 1.870 -3.922 3188TIP3 H115873 -1.690 1.876 -3.917 3188TIP3 H215874 -1.811 1.927 -3.997 3189TIP3 OH215875 -1.165 1.622 -3.254 3189TIP3 H115876 -1.231 1.623 -3.181 3189TIP3 H215877 -1.222 1.588 -3.326 3190TIP3 OH215878 -1.927 1.982 -4.157 3190TIP3 H115879 -1.991 1.935 -4.212 3190TIP3 H215880 -1.855 2.002 -4.218 3191TIP3 OH215881 -0.863 3.197 -2.590 3191TIP3 H115882 -0.845 3.246 -2.671 3191TIP3 H215883 -0.797 3.233 -2.529 3192TIP3 OH215884 -2.075 2.459 -2.647 3192TIP3 H115885 -2.007 2.470 -2.577 3192TIP3 H215886 -2.155 2.465 -2.591 3193TIP3 OH215887 -1.503 1.962 -3.374 3193TIP3 H115888 -1.429 1.919 -3.420 3193TIP3 H215889 -1.519 1.901 -3.300 3194TIP3 OH215890 -1.972 1.604 -3.762 3194TIP3 H115891 -2.027 1.526 -3.747 3194TIP3 H215892 -1.890 1.566 -3.796 3195TIP3 OH215893 -1.606 1.809 -3.150 3195TIP3 H115894 -1.684 1.866 -3.150 3195TIP3 H215895 -1.559 1.835 -3.068 3196TIP3 OH215896 -1.589 2.443 -3.959 3196TIP3 H115897 -1.668 2.399 -3.995 3196TIP3 H215898 -1.613 2.456 -3.864 3197TIP3 OH215899 -0.869 2.362 -3.088 3197TIP3 H115900 -0.821 2.418 -3.152 3197TIP3 H215901 -0.956 2.352 -3.132 3198TIP3 OH215902 -1.176 1.723 -4.185 3198TIP3 H115903 -1.274 1.721 -4.187 3198TIP3 H215904 -1.155 1.799 -4.127 3199TIP3 OH215905 -1.429 2.447 -2.827 3199TIP3 H115906 -1.459 2.419 -2.740 3199TIP3 H215907 -1.457 2.540 -2.830 3200TIP3 OH215908 -1.115 1.908 -3.988 3200TIP3 H115909 -1.029 1.891 -3.946 3200TIP3 H215910 -1.102 1.996 -4.029 3201TIP3 OH215911 -2.080 2.384 -3.379 3201TIP3 H115912 -2.023 2.377 -3.457 3201TIP3 H215913 -2.066 2.298 -3.336 3202TIP3 OH215914 -1.346 2.576 -4.069 3202TIP3 H115915 -1.373 2.665 -4.040 3202TIP3 H215916 -1.424 2.524 -4.041 3203TIP3 OH215917 -2.353 2.214 -2.851 3203TIP3 H115918 -2.336 2.168 -2.766 3203TIP3 H215919 -2.413 2.153 -2.897 3204TIP3 OH215920 -1.655 2.162 -2.652 3204TIP3 H115921 -1.691 2.139 -2.740 3204TIP3 H215922 -1.561 2.140 -2.665 3205TIP3 OH215923 -1.202 2.701 -2.880 3205TIP3 H115924 -1.298 2.716 -2.887 3205TIP3 H215925 -1.184 2.732 -2.789 3206TIP3 OH215926 -0.644 1.918 -3.998 3206TIP3 H115927 -0.706 1.896 -4.071 3206TIP3 H215928 -0.635 2.013 -4.017 3207TIP3 OH215929 -0.603 2.515 -2.724 3207TIP3 H115930 -0.696 2.538 -2.743 3207TIP3 H215931 -0.569 2.500 -2.814 3208TIP3 OH215932 -0.833 2.776 -3.994 3208TIP3 H115933 -0.856 2.701 -3.939 3208TIP3 H215934 -0.780 2.736 -4.066 3209TIP3 OH215935 -1.104 2.306 -3.256 3209TIP3 H115936 -1.197 2.292 -3.280 3209TIP3 H215937 -1.061 2.234 -3.306 3210TIP3 OH215938 -1.837 2.734 -3.656 3210TIP3 H115939 -1.772 2.806 -3.674 3210TIP3 H215940 -1.918 2.771 -3.692 3211TIP3 OH215941 -2.232 2.203 -4.197 3211TIP3 H115942 -2.178 2.271 -4.152 3211TIP3 H215943 -2.322 2.227 -4.169 3212TIP3 OH215944 -1.662 2.490 -3.692 3212TIP3 H115945 -1.685 2.583 -3.676 3212TIP3 H215946 -1.735 2.445 -3.648 3213TIP3 OH215947 -1.640 2.909 -3.055 3213TIP3 H115948 -1.588 2.986 -3.084 3213TIP3 H215949 -1.577 2.864 -2.997 3214TIP3 OH215950 -1.301 2.483 -3.099 3214TIP3 H115951 -1.329 2.459 -3.009 3214TIP3 H215952 -1.226 2.424 -3.114 3215TIP3 OH215953 -1.087 2.599 -4.194 3215TIP3 H115954 -1.039 2.560 -4.118 3215TIP3 H215955 -1.177 2.599 -4.158 3216TIP3 OH215956 -1.003 2.940 -2.862 3216TIP3 H115957 -1.082 2.898 -2.902 3216TIP3 H215958 -0.996 3.022 -2.913 3217TIP3 OH215959 -0.595 3.058 -4.160 3217TIP3 H115960 -0.526 3.125 -4.143 3217TIP3 H215961 -0.675 3.106 -4.129 3218TIP3 OH215962 -2.221 1.679 -2.890 3218TIP3 H115963 -2.312 1.704 -2.917 3218TIP3 H215964 -2.236 1.592 -2.850 3219TIP3 OH215965 -0.985 2.466 -3.974 3219TIP3 H115966 -1.015 2.403 -3.906 3219TIP3 H215967 -0.891 2.475 -3.954 3220TIP3 OH215968 -2.248 2.854 -3.049 3220TIP3 H115969 -2.213 2.765 -3.036 3220TIP3 H215970 -2.221 2.898 -2.967 3221TIP3 OH215971 -1.637 2.717 -4.331 3221TIP3 H115972 -1.599 2.630 -4.354 3221TIP3 H215973 -1.685 2.695 -4.249 3222TIP3 OH215974 -1.777 2.678 -4.075 3222TIP3 H115975 -1.728 2.625 -4.011 3222TIP3 H215976 -1.762 2.769 -4.042 3223TIP3 OH215977 -2.093 2.409 -4.036 3223TIP3 H115978 -2.168 2.451 -3.988 3223TIP3 H215979 -2.046 2.489 -4.067 3224TIP3 OH215980 -1.323 1.661 -3.036 3224TIP3 H115981 -1.262 1.689 -2.965 3224TIP3 H215982 -1.374 1.589 -2.993 3225TIP3 OH215983 -1.265 1.617 -3.921 3225TIP3 H115984 -1.234 1.667 -3.999 3225TIP3 H215985 -1.213 1.658 -3.850 3226TIP3 OH215986 -1.489 2.830 -4.045 3226TIP3 H115987 -1.545 2.869 -3.974 3226TIP3 H215988 -1.433 2.905 -4.066 3227TIP3 OH215989 -1.519 1.808 -3.815 3227TIP3 H115990 -1.441 1.866 -3.801 3227TIP3 H215991 -1.549 1.792 -3.724 3228TIP3 OH215992 -1.485 1.895 -2.900 3228TIP3 H115993 -1.478 1.950 -2.820 3228TIP3 H215994 -1.427 1.821 -2.878 3229TIP3 OH215995 -1.456 1.510 -3.723 3229TIP3 H115996 -1.478 1.580 -3.658 3229TIP3 H215997 -1.385 1.554 -3.775 3230TIP3 OH215998 -1.788 2.953 -4.001 3230TIP3 H115999 -1.761 3.032 -4.051 3230TIP3 H216000 -1.762 2.977 -3.910 3231TIP3 OH216001 -1.885 1.617 -4.080 3231TIP3 H116002 -1.893 1.688 -4.014 3231TIP3 H216003 -1.810 1.566 -4.044 3232TIP3 OH216004 -0.856 1.699 -2.810 3232TIP3 H116005 -0.951 1.713 -2.829 3232TIP3 H216006 -0.827 1.676 -2.899 3233TIP3 OH216007 -1.003 2.081 -3.410 3233TIP3 H116008 -1.086 2.037 -3.435 3233TIP3 H216009 -0.956 2.009 -3.362 3234TIP3 OH216010 -2.053 2.704 -4.156 3234TIP3 H116011 -1.973 2.737 -4.112 3234TIP3 H216012 -2.012 2.654 -4.229 3235TIP3 OH216013 -2.227 1.923 -4.253 3235TIP3 H116014 -2.213 2.018 -4.238 3235TIP3 H216015 -2.316 1.922 -4.292 3236TIP3 OH216016 -0.898 2.964 -3.270 3236TIP3 H116017 -0.923 3.044 -3.320 3236TIP3 H216018 -0.807 2.987 -3.246 3237TIP3 OH216019 -2.141 1.419 -3.371 3237TIP3 H116020 -2.158 1.416 -3.467 3237TIP3 H216021 -2.174 1.332 -3.341 3238TIP3 OH216022 -2.253 2.772 -3.747 3238TIP3 H116023 -2.328 2.829 -3.725 3238TIP3 H216024 -2.209 2.822 -3.817 3239TIP3 OH216025 -2.311 3.058 -2.628 3239TIP3 H116026 -2.253 3.031 -2.554 3239TIP3 H216027 -2.350 2.973 -2.656 3240TIP3 OH216028 -1.852 2.969 -2.453 3240TIP3 H116029 -1.777 2.915 -2.426 3240TIP3 H216030 -1.864 2.940 -2.545 3241TIP3 OH216031 -1.418 2.905 -4.339 3241TIP3 H116032 -1.499 2.854 -4.319 3241TIP3 H216033 -1.355 2.832 -4.352 3242TIP3 OH216034 -1.187 2.786 -2.598 3242TIP3 H116035 -1.230 2.709 -2.557 3242TIP3 H216036 -1.125 2.816 -2.529 3243TIP3 OH216037 -1.013 2.851 -4.293 3243TIP3 H116038 -0.980 2.789 -4.227 3243TIP3 H216039 -0.939 2.914 -4.308 3244TIP3 OH216040 -2.318 2.419 -2.514 3244TIP3 H116041 -2.305 2.332 -2.554 3244TIP3 H216042 -2.392 2.453 -2.568 3245TIP3 OH216043 -1.888 2.480 -4.307 3245TIP3 H116044 -1.875 2.412 -4.241 3245TIP3 H216045 -1.818 2.463 -4.371 3246TIP3 OH216046 -1.653 2.439 -2.582 3246TIP3 H116047 -1.683 2.476 -2.667 3246TIP3 H216048 -1.648 2.343 -2.600 3247TIP3 OH216049 -1.359 2.582 -4.348 3247TIP3 H116050 -1.347 2.595 -4.252 3247TIP3 H216051 -1.296 2.510 -4.366 3248TIP3 OH216052 -1.116 2.403 -2.843 3248TIP3 H116053 -1.038 2.458 -2.862 3248TIP3 H216054 -1.186 2.470 -2.844 3249TIP3 OH216055 -2.230 2.133 -2.600 3249TIP3 H116056 -2.160 2.066 -2.597 3249TIP3 H216057 -2.234 2.158 -2.506 3250TIP3 OH216058 -1.788 2.272 -4.091 3250TIP3 H116059 -1.849 2.226 -4.031 3250TIP3 H216060 -1.752 2.198 -4.144 3251TIP3 OH216061 -1.866 2.049 -2.855 3251TIP3 H116062 -1.920 2.129 -2.838 3251TIP3 H216063 -1.800 2.083 -2.918 3252TIP3 OH216064 -1.668 2.082 -4.274 3252TIP3 H116065 -1.665 2.058 -4.367 3252TIP3 H216066 -1.572 2.080 -4.251 3253TIP3 OH216067 -1.334 2.319 -2.499 3253TIP3 H116068 -1.244 2.302 -2.531 3253TIP3 H216069 -1.357 2.234 -2.460 3254TIP3 OH216070 -1.804 1.781 -2.747 3254TIP3 H116071 -1.798 1.713 -2.817 3254TIP3 H216072 -1.824 1.861 -2.799 3255TIP3 OH216073 -1.769 1.620 -2.995 3255TIP3 H116074 -1.717 1.670 -3.061 3255TIP3 H216075 -1.860 1.622 -3.033 3256TIP3 OH216076 -1.615 2.169 -2.955 3256TIP3 H116077 -1.532 2.163 -3.005 3256TIP3 H216078 -1.648 2.256 -2.986 3257TIP3 OH216079 -1.160 1.962 -2.478 3257TIP3 H116080 -1.133 1.870 -2.465 3257TIP3 H216081 -1.073 2.006 -2.484 3258TIP3 OH216082 -1.061 2.241 -2.630 3258TIP3 H116083 -1.097 2.303 -2.697 3258TIP3 H216084 -0.972 2.227 -2.667 3259TIP3 OH216085 -1.975 1.953 -2.553 3259TIP3 H116086 -2.034 1.877 -2.562 3259TIP3 H216087 -1.902 1.929 -2.612 3260TIP3 OH216088 -1.694 1.353 -2.924 3260TIP3 H116089 -1.721 1.446 -2.939 3260TIP3 H216090 -1.761 1.305 -2.977 3261TIP3 OH216091 -1.572 1.809 -2.584 3261TIP3 H116092 -1.610 1.783 -2.498 3261TIP3 H216093 -1.651 1.796 -2.641 3262TIP3 OH216094 -1.323 1.715 -2.699 3262TIP3 H116095 -1.408 1.730 -2.654 3262TIP3 H216096 -1.273 1.662 -2.633 3263TIP3 OH216097 -1.149 1.572 -2.524 3263TIP3 H116098 -1.137 1.477 -2.504 3263TIP3 H216099 -1.153 1.614 -2.436 3264TIP3 OH216100 -2.122 1.710 -2.581 3264TIP3 H116101 -2.126 1.638 -2.646 3264TIP3 H216102 -2.141 1.662 -2.498 3265TIP3 OH216103 -1.706 3.187 -4.179 3265TIP3 H116104 -1.617 3.209 -4.147 3265TIP3 H216105 -1.727 3.260 -4.239 3266TIP3 OH216106 -2.323 2.603 -4.196 3266TIP3 H116107 -2.233 2.640 -4.197 3266TIP3 H216108 -2.326 2.550 -4.277 3267TIP3 OH216109 -2.422 3.155 -3.720 3267TIP3 H116110 -2.494 3.118 -3.775 3267TIP3 H216111 -2.413 3.088 -3.650 3268TIP3 OH216112 -2.386 2.960 -3.519 3268TIP3 H116113 -2.412 2.872 -3.488 3268TIP3 H216114 -2.346 2.994 -3.438 3269TIP3 OH216115 -0.628 3.080 -3.220 3269TIP3 H116116 -0.615 3.084 -3.124 3269TIP3 H216117 -0.544 3.116 -3.251 3270TIP3 OH216118 -0.640 3.029 -2.932 3270TIP3 H116119 -0.692 2.955 -2.967 3270TIP3 H216120 -0.584 2.982 -2.868 3271TIP3 OH216121 -0.840 2.570 -2.501 3271TIP3 H116122 -0.929 2.581 -2.465 3271TIP3 H216123 -0.796 2.652 -2.473 3272TIP3 OH216124 -0.692 2.453 -3.933 3272TIP3 H116125 -0.605 2.486 -3.903 3272TIP3 H216126 -0.712 2.391 -3.861 3273TIP3 OH216127 -0.651 2.254 -3.731 3273TIP3 H116128 -0.722 2.201 -3.688 3273TIP3 H216129 -0.587 2.268 -3.659 3274TIP3 OH216130 -0.679 2.505 -3.232 3274TIP3 H116131 -0.616 2.463 -3.292 3274TIP3 H216132 -0.674 2.598 -3.261 3275TIP3 OH216133 -0.811 2.797 -3.008 3275TIP3 H116134 -0.883 2.842 -2.960 3275TIP3 H216135 -0.857 2.765 -3.088 3276TIP3 OH216136 -0.621 2.228 -4.108 3276TIP3 H116137 -0.693 2.241 -4.172 3276TIP3 H216138 -0.650 2.289 -4.037 3277TIP3 OH216139 -0.801 1.964 -4.214 3277TIP3 H116140 -0.777 2.032 -4.279 3277TIP3 H216141 -0.771 1.884 -4.259 3278TIP3 OH216142 -0.859 2.072 -3.650 3278TIP3 H116143 -0.868 1.977 -3.667 3278TIP3 H216144 -0.899 2.080 -3.561 3279TIP3 OH216145 -2.377 2.290 -3.280 3279TIP3 H116146 -2.352 2.299 -3.373 3279TIP3 H216147 -2.289 2.272 -3.240 3280TIP3 OH216148 -0.801 2.263 -2.737 3280TIP3 H116149 -0.726 2.204 -2.717 3280TIP3 H216150 -0.757 2.347 -2.755 3281TIP3 OH216151 -0.644 2.074 -2.615 3281TIP3 H116152 -0.724 2.021 -2.637 3281TIP3 H216153 -0.575 2.006 -2.617 3282TIP3 OH216154 -0.895 1.655 -4.333 3282TIP3 H116155 -0.821 1.605 -4.295 3282TIP3 H216156 -0.974 1.609 -4.300 3283TIP3 OH216157 -0.881 1.825 -3.836 3283TIP3 H116158 -0.856 1.730 -3.829 3283TIP3 H216159 -0.799 1.861 -3.873 3284TIP3 OH216160 -0.851 1.881 -3.288 3284TIP3 H116161 -0.754 1.892 -3.290 3284TIP3 H216162 -0.866 1.884 -3.192 3285TIP3 OH216163 -0.835 1.952 -3.006 3285TIP3 H116164 -0.921 1.991 -2.980 3285TIP3 H216165 -0.783 2.032 -3.027 3286TIP3 OH216166 -2.385 1.827 -2.640 3286TIP3 H116167 -2.291 1.801 -2.636 3286TIP3 H216168 -2.430 1.741 -2.633 3287TIP3 OH216169 -0.583 1.364 -2.477 3287TIP3 H116170 -0.537 1.295 -2.529 3287TIP3 H216171 -0.576 1.442 -2.535 3288TIP3 OH216172 -0.832 1.549 -3.830 3288TIP3 H116173 -0.817 1.510 -3.742 3288TIP3 H216174 -0.906 1.494 -3.863 3289TIP3 OH216175 -2.309 1.661 -3.358 3289TIP3 H116176 -2.261 1.576 -3.352 3289TIP3 H216177 -2.240 1.722 -3.325 3290TIP3 OH216178 -2.454 1.929 -3.255 3290TIP3 H116179 -2.396 1.925 -3.333 3290TIP3 H216180 -2.417 2.006 -3.210 3291TIP3 OH216181 -0.640 1.572 -2.652 3291TIP3 H116182 -0.728 1.613 -2.649 3291TIP3 H216183 -0.651 1.516 -2.731 3292TIP3 OH216184 -0.617 1.577 -4.158 3292TIP3 H116185 -0.613 1.532 -4.246 3292TIP3 H216186 -0.540 1.635 -4.171 3293TIP3 OH216187 -2.403 1.564 -3.852 3293TIP3 H116188 -2.499 1.566 -3.871 3293TIP3 H216189 -2.366 1.624 -3.920 3294TIP3 OH216190 -0.944 3.083 -3.645 3294TIP3 H116191 -0.888 3.057 -3.720 3294TIP3 H216192 -0.880 3.126 -3.586 3295TIP3 OH216193 -2.399 1.454 -3.031 3295TIP3 H116194 -2.471 1.421 -2.975 3295TIP3 H216195 -2.449 1.503 -3.099 3296TIP3 OH216196 -2.202 2.748 -2.565 3296TIP3 H116197 -2.273 2.758 -2.630 3296TIP3 H216198 -2.248 2.766 -2.481 3297TIP3 OH216199 -1.918 2.860 -2.999 3297TIP3 H116200 -1.947 2.945 -3.036 3297TIP3 H216201 -1.822 2.868 -3.017 3298TIP3 OH216202 -1.464 2.987 -2.706 3298TIP3 H116203 -1.455 2.976 -2.610 3298TIP3 H216204 -1.382 3.036 -2.728 3299TIP3 OH216205 -1.235 3.138 -2.775 3299TIP3 H116206 -1.168 3.071 -2.796 3299TIP3 H216207 -1.206 3.167 -2.686 3300TIP3 OH216208 -0.756 1.393 -2.853 3300TIP3 H116209 -0.834 1.413 -2.908 3300TIP3 H216210 -0.731 1.304 -2.887 3301TIP3 OH216211 -2.183 3.151 -2.965 3301TIP3 H116212 -2.239 3.217 -3.011 3301TIP3 H216213 -2.213 3.162 -2.874 3302TIP3 OH216214 -1.931 3.130 -3.110 3302TIP3 H116215 -2.016 3.153 -3.067 3302TIP3 H216216 -1.924 3.198 -3.179 3303TIP3 OH216217 -1.458 3.128 -3.152 3303TIP3 H116218 -1.496 3.170 -3.232 3303TIP3 H216219 -1.449 3.206 -3.094 3304TIP3 OH216220 -1.224 3.002 -3.061 3304TIP3 H116221 -1.308 3.037 -3.096 3304TIP3 H216222 -1.168 3.081 -3.067 3305TIP3 OH216223 -0.966 3.175 -3.044 3305TIP3 H116224 -0.974 3.270 -3.064 3305TIP3 H216225 -0.942 3.141 -3.132 3306TIP3 OH216226 -2.225 3.033 -3.272 3306TIP3 H116227 -2.224 2.986 -3.186 3306TIP3 H216228 -2.147 2.992 -3.316 3307TIP3 OH216229 -2.021 2.912 -3.422 3307TIP3 H116230 -2.032 2.818 -3.400 3307TIP3 H216231 -1.928 2.928 -3.395 3308TIP3 OH216232 -1.753 2.957 -3.336 3308TIP3 H116233 -1.719 2.873 -3.370 3308TIP3 H216234 -1.737 2.948 -3.241 3309TIP3 OH216235 -1.410 1.543 -3.407 3309TIP3 H116236 -1.481 1.476 -3.395 3309TIP3 H216237 -1.351 1.499 -3.470 3310TIP3 OH216238 -0.916 1.350 -3.361 3310TIP3 H116239 -0.840 1.391 -3.405 3310TIP3 H216240 -0.990 1.376 -3.419 3311TIP3 OH216241 -0.709 1.457 -3.575 3311TIP3 H116242 -0.638 1.413 -3.626 3311TIP3 H216243 -0.676 1.549 -3.569 3312TIP3 OH216244 -2.175 1.416 -3.652 3312TIP3 H116245 -2.261 1.404 -3.697 3312TIP3 H216246 -2.134 1.329 -3.668 3313TIP3 OH216247 -2.298 1.372 -4.080 3313TIP3 H116248 -2.238 1.434 -4.127 3313TIP3 H216249 -2.330 1.427 -4.008 3314TIP3 OH216250 -1.729 1.398 -3.666 3314TIP3 H116251 -1.638 1.429 -3.680 3314TIP3 H216252 -1.732 1.390 -3.570 3315TIP3 OH216253 -1.167 1.403 -3.524 3315TIP3 H116254 -1.144 1.389 -3.616 3315TIP3 H216255 -1.207 1.317 -3.500 3316TIP3 OH216256 -1.064 1.400 -3.921 3316TIP3 H116257 -1.144 1.446 -3.952 3316TIP3 H216258 -1.097 1.308 -3.915 3317TIP3 OH216259 -2.290 2.961 -3.966 3317TIP3 H116260 -2.362 2.961 -4.032 3317TIP3 H216261 -2.287 3.054 -3.941 3318TIP3 OH216262 -2.128 1.541 -4.228 3318TIP3 H116263 -2.072 1.484 -4.282 3318TIP3 H216264 -2.062 1.593 -4.179 3319TIP3 OH216265 -1.618 1.561 -3.959 3319TIP3 H116266 -1.578 1.508 -3.889 3319TIP3 H216267 -1.594 1.650 -3.928 3320TIP3 OH216268 -1.412 3.133 -4.140 3320TIP3 H116269 -1.315 3.143 -4.143 3320TIP3 H216270 -1.426 3.065 -4.208 3321TIP3 OH216271 -0.747 3.043 -3.886 3321TIP3 H116272 -0.782 2.962 -3.928 3321TIP3 H216273 -0.774 3.112 -3.950 3322TIP3 OH216274 -2.197 1.439 -2.700 3322TIP3 H116275 -2.237 1.357 -2.665 3322TIP3 H216276 -2.104 1.426 -2.675 3323TIP3 OH216277 -1.958 1.373 -2.530 3323TIP3 H116278 -1.879 1.328 -2.562 3323TIP3 H216279 -2.003 1.301 -2.484 3324TIP3 OH216280 -2.091 3.066 -4.232 3324TIP3 H116281 -2.127 3.095 -4.147 3324TIP3 H216282 -2.020 3.006 -4.206 3325TIP3 OH216283 -1.156 1.289 -2.505 3325TIP3 H116284 -1.140 1.248 -2.417 3325TIP3 H216285 -1.065 1.287 -2.541 3326TIP3 OH216286 -0.808 2.922 -2.641 3326TIP3 H116287 -0.882 2.904 -2.702 3326TIP3 H216288 -0.826 3.016 -2.620 3327TIP3 OH216289 0.609 2.289 -3.626 3327TIP3 H116290 0.610 2.385 -3.615 3327TIP3 H216291 0.536 2.278 -3.688 3328TIP3 OH216292 0.497 2.231 -3.317 3328TIP3 H116293 0.494 2.175 -3.239 3328TIP3 H216294 0.472 2.169 -3.387 3329TIP3 OH216295 -0.185 2.179 -3.156 3329TIP3 H116296 -0.234 2.114 -3.100 3329TIP3 H216297 -0.189 2.257 -3.098 3330TIP3 OH216298 0.864 2.508 -3.488 3330TIP3 H116299 0.827 2.437 -3.433 3330TIP3 H216300 0.893 2.571 -3.421 3331TIP3 OH216301 -0.188 2.656 -3.302 3331TIP3 H116302 -0.209 2.563 -3.326 3331TIP3 H216303 -0.094 2.647 -3.279 3332TIP3 OH216304 -0.491 2.003 -3.762 3332TIP3 H116305 -0.540 2.086 -3.754 3332TIP3 H216306 -0.556 1.945 -3.804 3333TIP3 OH216307 -0.405 2.243 -3.569 3333TIP3 H116308 -0.394 2.155 -3.528 3333TIP3 H216309 -0.325 2.248 -3.624 3334TIP3 OH216310 0.568 3.043 -3.433 3334TIP3 H116311 0.629 2.973 -3.464 3334TIP3 H216312 0.543 3.010 -3.345 3335TIP3 OH216313 0.344 2.482 -3.262 3335TIP3 H116314 0.380 2.413 -3.320 3335TIP3 H216315 0.425 2.502 -3.212 3336TIP3 OH216316 1.212 1.637 -3.198 3336TIP3 H116317 1.238 1.699 -3.128 3336TIP3 H216318 1.273 1.664 -3.269 3337TIP3 OH216319 0.674 1.918 -3.212 3337TIP3 H116320 0.692 1.823 -3.208 3337TIP3 H216321 0.668 1.931 -3.308 3338TIP3 OH216322 -0.034 1.725 -3.500 3338TIP3 H116323 -0.016 1.806 -3.553 3338TIP3 H216324 -0.068 1.667 -3.571 3339TIP3 OH216325 0.755 1.736 -3.674 3339TIP3 H116326 0.813 1.693 -3.607 3339TIP3 H216327 0.822 1.779 -3.730 3340TIP3 OH216328 -0.350 1.992 -3.453 3340TIP3 H116329 -0.296 1.937 -3.395 3340TIP3 H216330 -0.346 1.942 -3.536 3341TIP3 OH216331 0.145 2.118 -3.461 3341TIP3 H116332 0.231 2.076 -3.440 3341TIP3 H216333 0.113 2.062 -3.534 3342TIP3 OH216334 1.284 1.775 -2.951 3342TIP3 H116335 1.225 1.848 -2.979 3342TIP3 H216336 1.266 1.773 -2.856 3343TIP3 OH216337 -0.152 1.593 -3.092 3343TIP3 H116338 -0.183 1.658 -3.157 3343TIP3 H216339 -0.215 1.607 -3.019 3344TIP3 OH216340 0.600 2.574 -3.750 3344TIP3 H116341 0.570 2.554 -3.839 3344TIP3 H216342 0.557 2.659 -3.731 3345TIP3 OH216343 0.111 2.360 -3.112 3345TIP3 H116344 0.052 2.429 -3.075 3345TIP3 H216345 0.184 2.413 -3.148 3346TIP3 OH216346 0.937 1.662 -3.469 3346TIP3 H116347 0.904 1.598 -3.405 3346TIP3 H216348 0.990 1.721 -3.412 3347TIP3 OH216349 -0.155 1.818 -3.274 3347TIP3 H116350 -0.097 1.894 -3.263 3347TIP3 H216351 -0.113 1.774 -3.352 3348TIP3 OH216352 -0.052 2.568 -3.006 3348TIP3 H116353 -0.053 2.661 -3.034 3348TIP3 H216354 -0.138 2.564 -2.959 3349TIP3 OH216355 -0.423 2.560 -3.932 3349TIP3 H116356 -0.479 2.622 -3.979 3349TIP3 H216357 -0.397 2.616 -3.855 3350TIP3 OH216358 0.920 2.689 -3.239 3350TIP3 H116359 0.823 2.702 -3.237 3350TIP3 H216360 0.948 2.775 -3.275 3351TIP3 OH216361 0.954 1.574 -3.086 3351TIP3 H116362 0.875 1.613 -3.129 3351TIP3 H216363 1.025 1.595 -3.150 3352TIP3 OH216364 0.266 1.348 -3.381 3352TIP3 H116365 0.244 1.253 -3.386 3352TIP3 H216366 0.183 1.386 -3.343 3353TIP3 OH216367 0.750 2.883 -3.583 3353TIP3 H116368 0.799 2.805 -3.614 3353TIP3 H216369 0.818 2.953 -3.592 3354TIP3 OH216370 0.896 2.670 -3.721 3354TIP3 H116371 0.844 2.623 -3.788 3354TIP3 H216372 0.891 2.607 -3.646 3355TIP3 OH216373 1.049 2.553 -2.871 3355TIP3 H116374 1.040 2.487 -2.942 3355TIP3 H216375 1.062 2.635 -2.921 3356TIP3 OH216376 0.478 2.242 -3.905 3356TIP3 H116377 0.412 2.303 -3.943 3356TIP3 H216378 0.551 2.250 -3.968 3357TIP3 OH216379 0.496 2.064 -4.205 3357TIP3 H116380 0.566 2.096 -4.145 3357TIP3 H216381 0.550 2.003 -4.261 3358TIP3 OH216382 1.226 2.168 -3.077 3358TIP3 H116383 1.154 2.233 -3.067 3358TIP3 H216384 1.273 2.204 -3.155 3359TIP3 OH216385 0.827 2.242 -3.794 3359TIP3 H116386 0.759 2.263 -3.726 3359TIP3 H216387 0.887 2.185 -3.742 3360TIP3 OH216388 0.810 2.098 -2.907 3360TIP3 H116389 0.818 2.180 -2.856 3360TIP3 H216390 0.745 2.127 -2.973 3361TIP3 OH216391 -0.016 2.319 -3.617 3361TIP3 H116392 -0.043 2.273 -3.699 3361TIP3 H216393 0.044 2.256 -3.576 3362TIP3 OH216394 0.122 2.659 -3.341 3362TIP3 H116395 0.115 2.620 -3.429 3362TIP3 H216396 0.201 2.615 -3.306 3363TIP3 OH216397 0.640 2.752 -3.209 3363TIP3 H116398 0.642 2.820 -3.139 3363TIP3 H216399 0.618 2.670 -3.161 3364TIP3 OH216400 0.129 2.636 -2.784 3364TIP3 H116401 0.077 2.702 -2.736 3364TIP3 H216402 0.065 2.608 -2.853 3365TIP3 OH216403 0.734 2.189 -4.057 3365TIP3 H116404 0.777 2.214 -3.972 3365TIP3 H216405 0.795 2.231 -4.121 3366TIP3 OH216406 -0.194 2.291 -2.891 3366TIP3 H116407 -0.171 2.329 -2.805 3366TIP3 H216408 -0.284 2.257 -2.874 3367TIP3 OH216409 0.466 2.847 -3.694 3367TIP3 H116410 0.518 2.874 -3.618 3367TIP3 H216411 0.421 2.929 -3.720 3368TIP3 OH216412 -0.060 2.851 -2.702 3368TIP3 H116413 -0.072 2.855 -2.799 3368TIP3 H216414 -0.148 2.824 -2.670 3369TIP3 OH216415 1.061 1.345 -4.057 3369TIP3 H116416 0.973 1.373 -4.024 3369TIP3 H216417 1.087 1.420 -4.113 3370TIP3 OH216418 -0.122 2.192 -3.859 3370TIP3 H116419 -0.142 2.266 -3.919 3370TIP3 H216420 -0.185 2.125 -3.885 3371TIP3 OH216421 1.180 2.786 -4.249 3371TIP3 H116422 1.212 2.867 -4.207 3371TIP3 H216423 1.256 2.725 -4.242 3372TIP3 OH216424 -0.513 2.461 -2.991 3372TIP3 H116425 -0.563 2.461 -3.075 3372TIP3 H216426 -0.505 2.366 -2.971 3373TIP3 OH216427 -0.508 2.753 -3.298 3373TIP3 H116428 -0.415 2.727 -3.288 3373TIP3 H216429 -0.519 2.815 -3.224 3374TIP3 OH216430 1.329 2.815 -2.720 3374TIP3 H116431 1.318 2.719 -2.737 3374TIP3 H216432 1.238 2.838 -2.690 3375TIP3 OH216433 0.395 2.737 -2.839 3375TIP3 H116434 0.401 2.820 -2.787 3375TIP3 H216435 0.304 2.708 -2.818 3376TIP3 OH216436 0.425 3.116 -3.848 3376TIP3 H116437 0.426 3.130 -3.944 3376TIP3 H216438 0.427 3.207 -3.813 3377TIP3 OH216439 -0.198 3.026 -3.684 3377TIP3 H116440 -0.180 2.987 -3.596 3377TIP3 H216441 -0.290 2.999 -3.697 3378TIP3 OH216442 0.748 3.078 -4.140 3378TIP3 H116443 0.793 3.020 -4.204 3378TIP3 H216444 0.752 3.024 -4.059 3379TIP3 OH216445 0.696 3.004 -3.863 3379TIP3 H116446 0.603 3.024 -3.841 3379TIP3 H216447 0.718 2.939 -3.795 3380TIP3 OH216448 1.013 1.950 -2.681 3380TIP3 H116449 0.953 1.990 -2.745 3380TIP3 H216450 1.013 1.856 -2.707 3381TIP3 OH216451 -0.292 2.616 -2.867 3381TIP3 H116452 -0.266 2.569 -2.785 3381TIP3 H216453 -0.366 2.561 -2.899 3382TIP3 OH216454 0.024 1.466 -3.291 3382TIP3 H116455 -0.058 1.456 -3.342 3382TIP3 H216456 -0.004 1.533 -3.226 3383TIP3 OH216457 0.488 1.389 -2.900 3383TIP3 H116458 0.494 1.332 -2.822 3383TIP3 H216459 0.391 1.395 -2.910 3384TIP3 OH216460 0.775 1.799 -2.865 3384TIP3 H116461 0.713 1.783 -2.791 3384TIP3 H216462 0.766 1.894 -2.882 3385TIP3 OH216463 0.959 2.268 -4.251 3385TIP3 H116464 0.910 2.252 -4.333 3385TIP3 H216465 0.989 2.358 -4.267 3386TIP3 OH216466 0.444 1.658 -4.215 3386TIP3 H116467 0.387 1.662 -4.137 3386TIP3 H216468 0.398 1.592 -4.268 3387TIP3 OH216469 0.007 1.953 -3.659 3387TIP3 H116470 -0.088 1.943 -3.678 3387TIP3 H216471 0.045 1.932 -3.747 3388TIP3 OH216472 0.571 2.004 -3.786 3388TIP3 H116473 0.531 2.086 -3.820 3388TIP3 H216474 0.636 1.984 -3.856 3389TIP3 OH216475 0.649 1.944 -3.505 3389TIP3 H116476 0.622 2.002 -3.579 3389TIP3 H216477 0.672 1.863 -3.556 3390TIP3 OH216478 -0.268 1.962 -2.973 3390TIP3 H116479 -0.212 1.985 -2.898 3390TIP3 H216480 -0.288 1.869 -2.954 3391TIP3 OH216481 0.120 1.703 -4.311 3391TIP3 H116482 0.079 1.671 -4.229 3391TIP3 H216483 0.043 1.745 -4.355 3392TIP3 OH216484 -0.568 1.709 -3.596 3392TIP3 H116485 -0.502 1.700 -3.526 3392TIP3 H216486 -0.526 1.668 -3.674 3393TIP3 OH216487 -0.404 1.755 -4.027 3393TIP3 H116488 -0.356 1.792 -4.103 3393TIP3 H216489 -0.482 1.812 -4.020 3394TIP3 OH216490 0.547 2.102 -3.050 3394TIP3 H116491 0.599 2.036 -3.102 3394TIP3 H216492 0.531 2.054 -2.968 3395TIP3 OH216493 0.277 1.706 -3.559 3395TIP3 H116494 0.183 1.699 -3.536 3395TIP3 H216495 0.320 1.688 -3.474 3396TIP3 OH216496 -0.261 1.833 -3.691 3396TIP3 H116497 -0.343 1.856 -3.737 3396TIP3 H216498 -0.231 1.753 -3.739 3397TIP3 OH216499 0.099 1.877 -3.918 3397TIP3 H116500 0.196 1.873 -3.917 3397TIP3 H216501 0.078 1.927 -3.999 3398TIP3 OH216502 0.714 1.625 -3.245 3398TIP3 H116503 0.647 1.627 -3.173 3398TIP3 H216504 0.659 1.589 -3.317 3399TIP3 OH216505 -0.046 1.990 -4.161 3399TIP3 H116506 -0.105 1.934 -4.214 3399TIP3 H216507 0.031 2.000 -4.219 3400TIP3 OH216508 1.018 3.204 -2.589 3400TIP3 H116509 1.043 3.245 -2.673 3400TIP3 H216510 1.092 3.231 -2.531 3401TIP3 OH216511 -0.188 2.462 -2.646 3401TIP3 H116512 -0.121 2.470 -2.576 3401TIP3 H216513 -0.269 2.461 -2.591 3402TIP3 OH216514 0.378 1.964 -3.380 3402TIP3 H116515 0.455 1.920 -3.419 3402TIP3 H216516 0.363 1.912 -3.298 3403TIP3 OH216517 -0.083 1.605 -3.757 3403TIP3 H116518 -0.142 1.528 -3.749 3403TIP3 H216519 -0.004 1.565 -3.796 3404TIP3 OH216520 0.254 1.857 -3.125 3404TIP3 H116521 0.171 1.857 -3.078 3404TIP3 H216522 0.316 1.850 -3.050 3405TIP3 OH216523 0.293 2.450 -3.964 3405TIP3 H116524 0.216 2.399 -3.997 3405TIP3 H216525 0.274 2.455 -3.867 3406TIP3 OH216526 1.016 2.363 -3.087 3406TIP3 H116527 1.066 2.418 -3.152 3406TIP3 H216528 0.930 2.353 -3.133 3407TIP3 OH216529 0.710 1.722 -4.181 3407TIP3 H116530 0.612 1.722 -4.187 3407TIP3 H216531 0.730 1.801 -4.126 3408TIP3 OH216532 0.446 2.444 -2.834 3408TIP3 H116533 0.432 2.411 -2.744 3408TIP3 H216534 0.428 2.539 -2.826 3409TIP3 OH216535 0.770 1.910 -3.987 3409TIP3 H116536 0.857 1.892 -3.946 3409TIP3 H216537 0.785 1.996 -4.030 3410TIP3 OH216538 -0.180 2.380 -3.374 3410TIP3 H116539 -0.128 2.373 -3.455 3410TIP3 H216540 -0.174 2.290 -3.337 3411TIP3 OH216541 0.538 2.581 -4.068 3411TIP3 H116542 0.509 2.670 -4.039 3411TIP3 H216543 0.460 2.529 -4.043 3412TIP3 OH216544 -0.467 2.211 -2.852 3412TIP3 H116545 -0.450 2.167 -2.766 3412TIP3 H216546 -0.529 2.151 -2.895 3413TIP3 OH216547 0.231 2.175 -2.664 3413TIP3 H116548 0.202 2.113 -2.731 3413TIP3 H216549 0.316 2.135 -2.643 3414TIP3 OH216550 0.683 2.705 -2.881 3414TIP3 H116551 0.587 2.717 -2.887 3414TIP3 H216552 0.701 2.732 -2.790 3415TIP3 OH216553 1.241 1.920 -3.998 3415TIP3 H116554 1.181 1.898 -4.071 3415TIP3 H216555 1.253 2.015 -4.018 3416TIP3 OH216556 1.282 2.518 -2.724 3416TIP3 H116557 1.188 2.539 -2.743 3416TIP3 H216558 1.315 2.499 -2.814 3417TIP3 OH216559 1.064 2.774 -3.992 3417TIP3 H116560 1.036 2.698 -3.940 3417TIP3 H216561 1.097 2.734 -4.073 3418TIP3 OH216562 0.781 2.306 -3.256 3418TIP3 H116563 0.688 2.291 -3.281 3418TIP3 H216564 0.826 2.235 -3.306 3419TIP3 OH216565 0.044 2.714 -3.654 3419TIP3 H116566 0.089 2.799 -3.664 3419TIP3 H216567 -0.047 2.738 -3.675 3420TIP3 OH216568 -0.356 2.236 -4.209 3420TIP3 H116569 -0.291 2.267 -4.142 3420TIP3 H216570 -0.438 2.223 -4.157 3421TIP3 OH216571 0.228 2.482 -3.692 3421TIP3 H116572 0.204 2.575 -3.677 3421TIP3 H216573 0.154 2.437 -3.649 3422TIP3 OH216574 0.245 2.910 -3.055 3422TIP3 H116575 0.300 2.985 -3.083 3422TIP3 H216576 0.307 2.861 -2.999 3423TIP3 OH216577 0.090 3.004 -3.733 3423TIP3 H116578 -0.005 3.020 -3.724 3423TIP3 H216579 0.126 3.091 -3.707 3424TIP3 OH216580 0.586 2.484 -3.099 3424TIP3 H116581 0.558 2.458 -3.009 3424TIP3 H216582 0.662 2.425 -3.114 3425TIP3 OH216583 0.801 2.609 -4.194 3425TIP3 H116584 0.850 2.566 -4.121 3425TIP3 H216585 0.711 2.603 -4.158 3426TIP3 OH216586 0.879 2.943 -2.859 3426TIP3 H116587 0.804 2.897 -2.901 3426TIP3 H216588 0.890 3.021 -2.915 3427TIP3 OH216589 1.292 3.060 -4.160 3427TIP3 H116590 1.361 3.128 -4.144 3427TIP3 H216591 1.211 3.110 -4.134 3428TIP3 OH216592 -0.335 1.679 -2.892 3428TIP3 H116593 -0.426 1.705 -2.917 3428TIP3 H216594 -0.349 1.593 -2.850 3429TIP3 OH216595 0.900 2.473 -3.968 3429TIP3 H116596 0.874 2.403 -3.906 3429TIP3 H216597 0.997 2.471 -3.960 3430TIP3 OH216598 -0.358 2.853 -3.051 3430TIP3 H116599 -0.328 2.763 -3.031 3430TIP3 H216600 -0.338 2.898 -2.967 3431TIP3 OH216601 0.249 2.716 -4.325 3431TIP3 H116602 0.289 2.633 -4.356 3431TIP3 H216603 0.194 2.684 -4.251 3432TIP3 OH216604 0.089 2.668 -4.068 3432TIP3 H116605 0.151 2.617 -4.014 3432TIP3 H216606 0.116 2.761 -4.050 3433TIP3 OH216607 -0.210 2.412 -4.038 3433TIP3 H116608 -0.275 2.461 -3.984 3433TIP3 H216609 -0.152 2.486 -4.066 3434TIP3 OH216610 0.544 1.670 -3.036 3434TIP3 H116611 0.589 1.717 -2.965 3434TIP3 H216612 0.497 1.601 -2.987 3435TIP3 OH216613 0.621 1.618 -3.920 3435TIP3 H116614 0.651 1.667 -3.999 3435TIP3 H216615 0.673 1.659 -3.850 3436TIP3 OH216616 0.401 2.830 -4.030 3436TIP3 H116617 0.326 2.883 -4.000 3436TIP3 H216618 0.456 2.897 -4.072 3437TIP3 OH216619 0.364 1.809 -3.815 3437TIP3 H116620 0.444 1.865 -3.801 3437TIP3 H216621 0.336 1.791 -3.724 3438TIP3 OH216622 0.430 1.510 -3.724 3438TIP3 H116623 0.408 1.579 -3.658 3438TIP3 H216624 0.500 1.554 -3.776 3439TIP3 OH216625 0.116 2.951 -4.027 3439TIP3 H116626 0.128 3.036 -4.074 3439TIP3 H216627 0.109 2.979 -3.934 3440TIP3 OH216628 0.000 1.619 -4.080 3440TIP3 H116629 -0.006 1.687 -4.011 3440TIP3 H216630 0.074 1.564 -4.046 3441TIP3 OH216631 1.026 1.692 -2.816 3441TIP3 H116632 0.932 1.712 -2.828 3441TIP3 H216633 1.052 1.681 -2.908 3442TIP3 OH216634 0.882 2.082 -3.408 3442TIP3 H116635 0.800 2.036 -3.436 3442TIP3 H216636 0.930 2.010 -3.361 3443TIP3 OH216637 -0.195 2.681 -4.160 3443TIP3 H116638 -0.125 2.728 -4.112 3443TIP3 H216639 -0.143 2.647 -4.235 3444TIP3 OH216640 -0.330 1.928 -4.265 3444TIP3 H116641 -0.329 2.021 -4.239 3444TIP3 H216642 -0.422 1.914 -4.294 3445TIP3 OH216643 0.984 2.967 -3.269 3445TIP3 H116644 0.966 3.048 -3.321 3445TIP3 H216645 1.077 2.982 -3.245 3446TIP3 OH216646 -0.257 1.420 -3.371 3446TIP3 H116647 -0.274 1.417 -3.467 3446TIP3 H216648 -0.290 1.334 -3.340 3447TIP3 OH216649 -0.375 2.761 -3.751 3447TIP3 H116650 -0.444 2.820 -3.717 3447TIP3 H216651 -0.324 2.820 -3.808 3448TIP3 OH216652 -0.424 3.058 -2.630 3448TIP3 H116653 -0.368 3.031 -2.554 3448TIP3 H216654 -0.465 2.973 -2.656 3449TIP3 OH216655 0.041 2.958 -2.442 3449TIP3 H116656 0.115 2.896 -2.432 3449TIP3 H216657 0.018 2.942 -2.535 3450TIP3 OH216658 0.465 2.901 -4.334 3450TIP3 H116659 0.386 2.844 -4.324 3450TIP3 H216660 0.532 2.833 -4.352 3451TIP3 OH216661 0.689 2.793 -2.590 3451TIP3 H116662 0.653 2.709 -2.554 3451TIP3 H216663 0.761 2.812 -2.527 3452TIP3 OH216664 0.851 2.869 -4.291 3452TIP3 H116665 0.880 2.790 -4.241 3452TIP3 H216666 0.935 2.913 -4.316 3453TIP3 OH216667 -0.431 2.421 -2.515 3453TIP3 H116668 -0.420 2.331 -2.550 3453TIP3 H216669 -0.507 2.453 -2.568 3454TIP3 OH216670 -0.006 2.481 -4.303 3454TIP3 H116671 0.011 2.407 -4.243 3454TIP3 H216672 0.057 2.465 -4.375 3455TIP3 OH216673 0.236 2.453 -2.578 3455TIP3 H116674 0.205 2.481 -2.666 3455TIP3 H216675 0.251 2.358 -2.590 3456TIP3 OH216676 0.526 2.582 -4.347 3456TIP3 H116677 0.543 2.593 -4.252 3456TIP3 H216678 0.591 2.514 -4.372 3457TIP3 OH216679 0.769 2.402 -2.845 3457TIP3 H116680 0.850 2.453 -2.861 3457TIP3 H216681 0.702 2.472 -2.844 3458TIP3 OH216682 -0.339 2.133 -2.602 3458TIP3 H116683 -0.273 2.063 -2.602 3458TIP3 H216684 -0.343 2.155 -2.507 3459TIP3 OH216685 0.097 2.272 -4.089 3459TIP3 H116686 0.041 2.220 -4.030 3459TIP3 H216687 0.135 2.202 -4.146 3460TIP3 OH216688 0.014 2.068 -2.909 3460TIP3 H116689 -0.019 2.092 -2.821 3460TIP3 H216690 0.111 2.069 -2.895 3461TIP3 OH216691 0.218 2.088 -4.277 3461TIP3 H116692 0.222 2.055 -4.368 3461TIP3 H216693 0.313 2.082 -4.252 3462TIP3 OH216694 0.534 2.295 -2.521 3462TIP3 H116695 0.629 2.285 -2.539 3462TIP3 H216696 0.523 2.228 -2.451 3463TIP3 OH216697 0.096 1.612 -2.982 3463TIP3 H116698 0.153 1.680 -3.019 3463TIP3 H216699 0.009 1.624 -3.023 3464TIP3 OH216700 0.262 2.158 -2.991 3464TIP3 H116701 0.358 2.149 -3.003 3464TIP3 H216702 0.253 2.254 -2.980 3465TIP3 OH216703 0.717 1.969 -2.483 3465TIP3 H116704 0.732 1.874 -2.474 3465TIP3 H216705 0.805 2.006 -2.475 3466TIP3 OH216706 0.830 2.249 -2.622 3466TIP3 H116707 0.795 2.307 -2.691 3466TIP3 H216708 0.917 2.227 -2.660 3467TIP3 OH216709 -0.076 1.949 -2.599 3467TIP3 H116710 -0.130 1.870 -2.584 3467TIP3 H216711 0.009 1.911 -2.626 3468TIP3 OH216712 0.203 1.371 -2.964 3468TIP3 H116713 0.169 1.464 -2.963 3468TIP3 H216714 0.131 1.328 -3.013 3469TIP3 OH216715 0.585 1.709 -2.668 3469TIP3 H116716 0.495 1.746 -2.676 3469TIP3 H216717 0.573 1.645 -2.597 3470TIP3 OH216718 0.758 1.470 -2.506 3470TIP3 H116719 0.713 1.434 -2.429 3470TIP3 H216720 0.752 1.565 -2.486 3471TIP3 OH216721 -0.228 1.706 -2.580 3471TIP3 H116722 -0.241 1.634 -2.645 3471TIP3 H216723 -0.252 1.661 -2.497 3472TIP3 OH216724 0.168 1.303 -2.681 3472TIP3 H116725 0.235 1.233 -2.675 3472TIP3 H216726 0.172 1.324 -2.776 3473TIP3 OH216727 0.266 1.488 -2.495 3473TIP3 H116728 0.229 1.434 -2.568 3473TIP3 H216729 0.216 1.570 -2.502 3474TIP3 OH216730 0.178 3.193 -4.175 3474TIP3 H116731 0.272 3.213 -4.159 3474TIP3 H216732 0.153 3.259 -4.241 3475TIP3 OH216733 -0.530 3.151 -3.724 3475TIP3 H116734 -0.606 3.120 -3.776 3475TIP3 H216735 -0.530 3.087 -3.649 3476TIP3 OH216736 -0.495 2.954 -3.522 3476TIP3 H116737 -0.529 2.870 -3.486 3476TIP3 H216738 -0.465 2.994 -3.439 3477TIP3 OH216739 1.256 3.082 -3.219 3477TIP3 H116740 1.272 3.083 -3.123 3477TIP3 H216741 1.340 3.115 -3.253 3478TIP3 OH216742 1.245 3.029 -2.931 3478TIP3 H116743 1.194 2.955 -2.968 3478TIP3 H216744 1.301 2.982 -2.867 3479TIP3 OH216745 1.043 2.575 -2.506 3479TIP3 H116746 0.958 2.579 -2.459 3479TIP3 H216747 1.091 2.652 -2.470 3480TIP3 OH216748 1.185 2.456 -3.930 3480TIP3 H116749 1.275 2.491 -3.916 3480TIP3 H216750 1.181 2.392 -3.856 3481TIP3 OH216751 1.231 2.256 -3.732 3481TIP3 H116752 1.164 2.200 -3.688 3481TIP3 H216753 1.299 2.269 -3.663 3482TIP3 OH216754 1.204 2.508 -3.234 3482TIP3 H116755 1.266 2.459 -3.290 3482TIP3 H216756 1.217 2.599 -3.264 3483TIP3 OH216757 1.076 2.800 -3.010 3483TIP3 H116758 1.002 2.840 -2.960 3483TIP3 H216759 1.030 2.764 -3.088 3484TIP3 OH216760 1.260 2.224 -4.109 3484TIP3 H116761 1.196 2.251 -4.176 3484TIP3 H216762 1.241 2.290 -4.040 3485TIP3 OH216763 1.080 1.961 -4.216 3485TIP3 H116764 1.108 2.035 -4.271 3485TIP3 H216765 1.120 1.886 -4.260 3486TIP3 OH216766 1.024 2.071 -3.650 3486TIP3 H116767 1.016 1.976 -3.667 3486TIP3 H216768 0.986 2.080 -3.560 3487TIP3 OH216769 -0.483 2.285 -3.280 3487TIP3 H116770 -0.465 2.294 -3.375 3487TIP3 H216771 -0.394 2.283 -3.245 3488TIP3 OH216772 1.087 2.263 -2.745 3488TIP3 H116773 1.158 2.202 -2.718 3488TIP3 H216774 1.133 2.347 -2.752 3489TIP3 OH216775 1.242 2.078 -2.618 3489TIP3 H116776 1.163 2.024 -2.636 3489TIP3 H216777 1.312 2.010 -2.617 3490TIP3 OH216778 1.002 1.650 -4.333 3490TIP3 H116779 1.054 1.620 -4.258 3490TIP3 H216780 0.913 1.615 -4.316 3491TIP3 OH216781 1.004 1.825 -3.836 3491TIP3 H116782 1.031 1.730 -3.829 3491TIP3 H216783 1.086 1.863 -3.873 3492TIP3 OH216784 1.035 1.882 -3.289 3492TIP3 H116785 1.132 1.892 -3.291 3492TIP3 H216786 1.021 1.886 -3.192 3493TIP3 OH216787 1.048 1.951 -3.009 3493TIP3 H116788 0.965 1.990 -2.977 3493TIP3 H216789 1.102 2.030 -3.026 3494TIP3 OH216790 -0.501 1.828 -2.641 3494TIP3 H116791 -0.407 1.804 -2.637 3494TIP3 H216792 -0.543 1.740 -2.632 3495TIP3 OH216793 1.293 1.358 -2.483 3495TIP3 H116794 1.338 1.293 -2.540 3495TIP3 H216795 1.291 1.438 -2.539 3496TIP3 OH216796 1.055 1.552 -3.826 3496TIP3 H116797 1.072 1.512 -3.739 3496TIP3 H216798 0.980 1.498 -3.859 3497TIP3 OH216799 -0.406 1.674 -3.356 3497TIP3 H116800 -0.369 1.585 -3.350 3497TIP3 H216801 -0.340 1.726 -3.308 3498TIP3 OH216802 -0.570 1.929 -3.255 3498TIP3 H116803 -0.512 1.922 -3.332 3498TIP3 H216804 -0.535 2.009 -3.212 3499TIP3 OH216805 1.251 1.580 -2.652 3499TIP3 H116806 1.161 1.614 -2.639 3499TIP3 H216807 1.236 1.518 -2.726 3500TIP3 OH216808 1.267 1.603 -4.162 3500TIP3 H116809 1.263 1.523 -4.218 3500TIP3 H216810 1.357 1.634 -4.178 3501TIP3 OH216811 -0.523 1.574 -3.841 3501TIP3 H116812 -0.614 1.564 -3.874 3501TIP3 H216813 -0.479 1.619 -3.916 3502TIP3 OH216814 0.943 3.082 -3.640 3502TIP3 H116815 0.993 3.062 -3.721 3502TIP3 H216816 1.008 3.129 -3.587 3503TIP3 OH216817 -0.513 1.454 -3.033 3503TIP3 H116818 -0.584 1.422 -2.975 3503TIP3 H216819 -0.564 1.502 -3.101 3504TIP3 OH216820 -0.316 2.757 -2.566 3504TIP3 H116821 -0.388 2.759 -2.631 3504TIP3 H216822 -0.363 2.759 -2.482 3505TIP3 OH216823 -0.032 2.857 -3.000 3505TIP3 H116824 -0.063 2.942 -3.035 3505TIP3 H216825 0.064 2.867 -3.018 3506TIP3 OH216826 0.419 2.989 -2.697 3506TIP3 H116827 0.435 2.971 -2.604 3506TIP3 H216828 0.502 3.034 -2.724 3507TIP3 OH216829 0.648 3.134 -2.772 3507TIP3 H116830 0.718 3.071 -2.796 3507TIP3 H216831 0.679 3.165 -2.686 3508TIP3 OH216832 1.093 1.366 -2.811 3508TIP3 H116833 1.048 1.416 -2.881 3508TIP3 H216834 1.139 1.297 -2.862 3509TIP3 OH216835 -0.295 3.153 -2.966 3509TIP3 H116836 -0.353 3.217 -3.011 3509TIP3 H216837 -0.329 3.159 -2.876 3510TIP3 OH216838 -0.045 3.130 -3.112 3510TIP3 H116839 -0.130 3.151 -3.068 3510TIP3 H216840 -0.040 3.201 -3.179 3511TIP3 OH216841 0.429 3.131 -3.155 3511TIP3 H116842 0.394 3.176 -3.234 3511TIP3 H216843 0.439 3.206 -3.094 3512TIP3 OH216844 0.663 3.003 -3.062 3512TIP3 H116845 0.578 3.039 -3.096 3512TIP3 H216846 0.720 3.081 -3.066 3513TIP3 OH216847 0.917 3.176 -3.045 3513TIP3 H116848 0.912 3.271 -3.066 3513TIP3 H216849 0.945 3.140 -3.131 3514TIP3 OH216850 -0.336 3.033 -3.273 3514TIP3 H116851 -0.339 2.986 -3.187 3514TIP3 H216852 -0.259 2.991 -3.314 3515TIP3 OH216853 -0.134 2.908 -3.429 3515TIP3 H116854 -0.148 2.816 -3.399 3515TIP3 H216855 -0.043 2.925 -3.397 3516TIP3 OH216856 0.140 2.954 -3.339 3516TIP3 H116857 0.161 2.862 -3.360 3516TIP3 H216858 0.148 2.954 -3.243 3517TIP3 OH216859 0.472 1.546 -3.408 3517TIP3 H116860 0.405 1.476 -3.396 3517TIP3 H216861 0.535 1.502 -3.468 3518TIP3 OH216862 0.969 1.349 -3.362 3518TIP3 H116863 1.046 1.390 -3.405 3518TIP3 H216864 0.895 1.375 -3.419 3519TIP3 OH216865 1.176 1.457 -3.576 3519TIP3 H116866 1.247 1.413 -3.626 3519TIP3 H216867 1.210 1.549 -3.569 3520TIP3 OH216868 -0.290 1.416 -3.651 3520TIP3 H116869 -0.376 1.405 -3.697 3520TIP3 H216870 -0.248 1.330 -3.670 3521TIP3 OH216871 -0.403 1.367 -4.079 3521TIP3 H116872 -0.349 1.433 -4.129 3521TIP3 H216873 -0.451 1.426 -4.019 3522TIP3 OH216874 0.157 1.399 -3.665 3522TIP3 H116875 0.249 1.428 -3.679 3522TIP3 H216876 0.155 1.388 -3.570 3523TIP3 OH216877 0.718 1.403 -3.522 3523TIP3 H116878 0.742 1.389 -3.615 3523TIP3 H216879 0.678 1.317 -3.499 3524TIP3 OH216880 0.823 1.410 -3.915 3524TIP3 H116881 0.743 1.456 -3.946 3524TIP3 H216882 0.793 1.317 -3.922 3525TIP3 OH216883 -0.404 2.960 -3.970 3525TIP3 H116884 -0.479 2.963 -4.032 3525TIP3 H216885 -0.402 3.052 -3.939 3526TIP3 OH216886 -0.242 1.542 -4.218 3526TIP3 H116887 -0.194 1.492 -4.286 3526TIP3 H216888 -0.169 1.587 -4.172 3527TIP3 OH216889 0.269 1.562 -3.959 3527TIP3 H116890 0.308 1.508 -3.889 3527TIP3 H216891 0.294 1.651 -3.927 3528TIP3 OH216892 0.474 3.123 -4.144 3528TIP3 H116893 0.571 3.138 -4.149 3528TIP3 H216894 0.463 3.064 -4.221 3529TIP3 OH216895 1.138 3.044 -3.885 3529TIP3 H116896 1.106 2.961 -3.927 3529TIP3 H216897 1.113 3.111 -3.952 3530TIP3 OH216898 -0.312 1.440 -2.699 3530TIP3 H116899 -0.350 1.357 -2.665 3530TIP3 H216900 -0.218 1.426 -2.675 3531TIP3 OH216901 -0.073 1.376 -2.529 3531TIP3 H116902 0.010 1.340 -2.568 3531TIP3 H216903 -0.107 1.296 -2.485 3532TIP3 OH216904 -0.211 3.062 -4.233 3532TIP3 H116905 -0.244 3.097 -4.149 3532TIP3 H216906 -0.133 3.012 -4.207 3533TIP3 OH216907 1.077 2.924 -2.641 3533TIP3 H116908 1.004 2.902 -2.701 3533TIP3 H216909 1.058 3.017 -2.621 3534TIP3 OH216910 2.499 2.290 -3.628 3534TIP3 H116911 2.498 2.386 -3.616 3534TIP3 H216912 2.421 2.276 -3.683 3535TIP3 OH216913 2.381 2.235 -3.320 3535TIP3 H116914 2.381 2.180 -3.241 3535TIP3 H216915 2.355 2.170 -3.388 3536TIP3 OH216916 1.630 2.193 -3.154 3536TIP3 H116917 1.628 2.118 -3.091 3536TIP3 H216918 1.699 2.248 -3.113 3537TIP3 OH216919 2.749 2.508 -3.488 3537TIP3 H116920 2.712 2.437 -3.433 3537TIP3 H216921 2.779 2.570 -3.421 3538TIP3 OH216922 1.695 2.658 -3.304 3538TIP3 H116923 1.671 2.566 -3.328 3538TIP3 H216924 1.788 2.644 -3.279 3539TIP3 OH216925 1.395 1.998 -3.762 3539TIP3 H116926 1.352 2.085 -3.753 3539TIP3 H216927 1.327 1.947 -3.807 3540TIP3 OH216928 1.475 2.243 -3.578 3540TIP3 H116929 1.488 2.159 -3.529 3540TIP3 H216930 1.560 2.253 -3.623 3541TIP3 OH216931 2.455 3.044 -3.432 3541TIP3 H116932 2.513 2.973 -3.464 3541TIP3 H216933 2.428 3.011 -3.345 3542TIP3 OH216934 2.231 2.485 -3.264 3542TIP3 H116935 2.264 2.412 -3.320 3542TIP3 H216936 2.311 2.501 -3.212 3543TIP3 OH216937 3.098 1.637 -3.200 3543TIP3 H116938 3.122 1.699 -3.128 3543TIP3 H216939 3.158 1.666 -3.270 3544TIP3 OH216940 2.561 1.918 -3.213 3544TIP3 H116941 2.574 1.822 -3.207 3544TIP3 H216942 2.552 1.931 -3.308 3545TIP3 OH216943 1.857 1.719 -3.504 3545TIP3 H116944 1.871 1.805 -3.550 3545TIP3 H216945 1.822 1.667 -3.579 3546TIP3 OH216946 2.641 1.736 -3.673 3546TIP3 H116947 2.699 1.692 -3.608 3546TIP3 H216948 2.706 1.779 -3.730 3547TIP3 OH216949 1.527 1.994 -3.454 3547TIP3 H116950 1.589 1.946 -3.397 3547TIP3 H216951 1.534 1.944 -3.537 3548TIP3 OH216952 2.065 2.132 -3.509 3548TIP3 H116953 2.135 2.077 -3.470 3548TIP3 H216954 2.014 2.065 -3.558 3549TIP3 OH216955 3.171 1.775 -2.951 3549TIP3 H116956 3.111 1.846 -2.980 3549TIP3 H216957 3.148 1.770 -2.857 3550TIP3 OH216958 1.737 1.598 -3.089 3550TIP3 H116959 1.697 1.649 -3.161 3550TIP3 H216960 1.672 1.613 -3.017 3551TIP3 OH216961 2.486 2.574 -3.749 3551TIP3 H116962 2.455 2.554 -3.838 3551TIP3 H216963 2.443 2.659 -3.731 3552TIP3 OH216964 2.031 2.387 -3.076 3552TIP3 H116965 1.957 2.446 -3.050 3552TIP3 H216966 2.093 2.449 -3.119 3553TIP3 OH216967 2.826 1.661 -3.470 3553TIP3 H116968 2.786 1.601 -3.406 3553TIP3 H216969 2.877 1.721 -3.413 3554TIP3 OH216970 1.697 1.803 -3.294 3554TIP3 H116971 1.762 1.861 -3.248 3554TIP3 H216972 1.755 1.766 -3.365 3555TIP3 OH216973 1.829 2.574 -3.005 3555TIP3 H116974 1.826 2.667 -3.033 3555TIP3 H216975 1.743 2.567 -2.960 3556TIP3 OH216976 1.463 2.543 -3.918 3556TIP3 H116977 1.441 2.586 -4.003 3556TIP3 H216978 1.477 2.618 -3.857 3557TIP3 OH216979 2.806 2.690 -3.239 3557TIP3 H116980 2.709 2.703 -3.237 3557TIP3 H216981 2.835 2.775 -3.275 3558TIP3 OH216982 2.839 1.579 -3.084 3558TIP3 H116983 2.761 1.615 -3.131 3558TIP3 H216984 2.911 1.595 -3.148 3559TIP3 OH216985 2.152 1.348 -3.380 3559TIP3 H116986 2.129 1.253 -3.385 3559TIP3 H216987 2.069 1.386 -3.343 3560TIP3 OH216988 2.635 2.883 -3.584 3560TIP3 H116989 2.683 2.804 -3.614 3560TIP3 H216990 2.704 2.952 -3.590 3561TIP3 OH216991 2.780 2.671 -3.720 3561TIP3 H116992 2.731 2.623 -3.788 3561TIP3 H216993 2.776 2.607 -3.646 3562TIP3 OH216994 2.936 2.552 -2.870 3562TIP3 H116995 2.925 2.488 -2.943 3562TIP3 H216996 2.947 2.636 -2.919 3563TIP3 OH216997 2.361 2.237 -3.907 3563TIP3 H116998 2.300 2.307 -3.937 3563TIP3 H216999 2.434 2.244 -3.971 3564TIP3 OH217000 3.111 2.169 -3.076 3564TIP3 H117001 3.039 2.235 -3.069 3564TIP3 H217002 3.159 2.204 -3.154 3565TIP3 OH217003 2.708 2.236 -3.801 3565TIP3 H117004 2.642 2.258 -3.732 3565TIP3 H217005 2.771 2.184 -3.749 3566TIP3 OH217006 2.696 2.096 -2.909 3566TIP3 H117007 2.702 2.180 -2.859 3566TIP3 H217008 2.632 2.124 -2.976 3567TIP3 OH217009 1.872 2.318 -3.617 3567TIP3 H117010 1.845 2.273 -3.700 3567TIP3 H217011 1.937 2.255 -3.581 3568TIP3 OH217012 2.010 2.661 -3.343 3568TIP3 H117013 1.998 2.619 -3.429 3568TIP3 H217014 2.088 2.614 -3.308 3569TIP3 OH217015 1.931 2.201 -3.268 3569TIP3 H117016 1.990 2.204 -3.345 3569TIP3 H217017 1.970 2.267 -3.208 3570TIP3 OH217018 2.525 2.752 -3.209 3570TIP3 H117019 2.528 2.819 -3.139 3570TIP3 H217020 2.503 2.670 -3.161 3571TIP3 OH217021 2.015 2.632 -2.783 3571TIP3 H117022 1.964 2.699 -2.734 3571TIP3 H217023 1.950 2.606 -2.852 3572TIP3 OH217024 2.601 2.197 -4.067 3572TIP3 H117025 2.647 2.210 -3.981 3572TIP3 H217026 2.668 2.228 -4.130 3573TIP3 OH217027 1.708 2.273 -2.872 3573TIP3 H117028 1.713 2.330 -2.793 3573TIP3 H217029 1.612 2.258 -2.879 3574TIP3 OH217030 2.352 2.847 -3.696 3574TIP3 H117031 2.404 2.872 -3.619 3574TIP3 H217032 2.306 2.929 -3.719 3575TIP3 OH217033 1.825 2.851 -2.701 3575TIP3 H117034 1.813 2.854 -2.798 3575TIP3 H217035 1.737 2.823 -2.669 3576TIP3 OH217036 2.965 1.353 -4.073 3576TIP3 H117037 2.868 1.359 -4.061 3576TIP3 H217038 2.986 1.443 -4.101 3577TIP3 OH217039 1.778 2.192 -3.875 3577TIP3 H117040 1.743 2.271 -3.921 3577TIP3 H217041 1.705 2.130 -3.885 3578TIP3 OH217042 3.070 2.787 -4.254 3578TIP3 H117043 3.099 2.867 -4.206 3578TIP3 H217044 3.144 2.725 -4.240 3579TIP3 OH217045 1.370 2.461 -2.990 3579TIP3 H117046 1.326 2.460 -3.077 3579TIP3 H217047 1.384 2.366 -2.973 3580TIP3 OH217048 1.376 2.754 -3.297 3580TIP3 H117049 1.468 2.725 -3.291 3580TIP3 H217050 1.370 2.814 -3.222 3581TIP3 OH217051 3.215 2.815 -2.718 3581TIP3 H117052 3.204 2.721 -2.739 3581TIP3 H217053 3.123 2.839 -2.691 3582TIP3 OH217054 2.279 2.737 -2.840 3582TIP3 H117055 2.287 2.820 -2.787 3582TIP3 H217056 2.189 2.708 -2.816 3583TIP3 OH217057 2.309 3.117 -3.848 3583TIP3 H117058 2.310 3.130 -3.944 3583TIP3 H217059 2.313 3.208 -3.814 3584TIP3 OH217060 1.688 3.030 -3.681 3584TIP3 H117061 1.705 2.987 -3.595 3584TIP3 H217062 1.601 2.994 -3.703 3585TIP3 OH217063 2.633 3.078 -4.140 3585TIP3 H117064 2.679 3.020 -4.204 3585TIP3 H217065 2.639 3.025 -4.058 3586TIP3 OH217066 2.582 3.006 -3.863 3586TIP3 H117067 2.489 3.023 -3.839 3586TIP3 H217068 2.606 2.940 -3.796 3587TIP3 OH217069 2.891 1.950 -2.677 3587TIP3 H117070 2.842 1.991 -2.750 3587TIP3 H217071 2.898 1.858 -2.708 3588TIP3 OH217072 1.590 2.616 -2.865 3588TIP3 H117073 1.617 2.569 -2.784 3588TIP3 H217074 1.516 2.561 -2.898 3589TIP3 OH217075 1.910 1.463 -3.289 3589TIP3 H117076 1.828 1.457 -3.341 3589TIP3 H217077 1.886 1.536 -3.229 3590TIP3 OH217078 2.346 1.422 -2.923 3590TIP3 H117079 2.399 1.367 -2.861 3590TIP3 H217080 2.256 1.386 -2.912 3591TIP3 OH217081 2.663 1.801 -2.871 3591TIP3 H117082 2.600 1.785 -2.798 3591TIP3 H217083 2.655 1.896 -2.888 3592TIP3 OH217084 2.834 2.270 -4.251 3592TIP3 H117085 2.803 2.252 -4.341 3592TIP3 H217086 2.875 2.356 -4.264 3593TIP3 OH217087 2.326 1.660 -4.219 3593TIP3 H117088 2.278 1.653 -4.136 3593TIP3 H217089 2.284 1.589 -4.270 3594TIP3 OH217090 1.895 1.941 -3.149 3594TIP3 H117091 1.839 1.953 -3.070 3594TIP3 H217092 1.902 2.033 -3.184 3595TIP3 OH217093 1.887 1.952 -3.661 3595TIP3 H117094 1.791 1.936 -3.676 3595TIP3 H217095 1.922 1.928 -3.749 3596TIP3 OH217096 2.457 2.003 -3.785 3596TIP3 H117097 2.416 2.085 -3.819 3596TIP3 H217098 2.522 1.983 -3.855 3597TIP3 OH217099 2.369 2.027 -2.645 3597TIP3 H117100 2.318 1.950 -2.611 3597TIP3 H217101 2.457 2.011 -2.606 3598TIP3 OH217102 2.536 1.944 -3.505 3598TIP3 H117103 2.508 2.001 -3.579 3598TIP3 H217104 2.557 1.863 -3.555 3599TIP3 OH217105 1.628 1.958 -2.964 3599TIP3 H117106 1.658 1.989 -2.877 3599TIP3 H217107 1.595 1.869 -2.943 3600TIP3 OH217108 2.008 1.735 -4.298 3600TIP3 H117109 1.975 1.675 -4.228 3600TIP3 H217110 1.926 1.752 -4.348 3601TIP3 OH217111 1.315 1.707 -3.600 3601TIP3 H117112 1.377 1.700 -3.526 3601TIP3 H217113 1.362 1.666 -3.674 3602TIP3 OH217114 1.480 1.753 -4.032 3602TIP3 H117115 1.528 1.799 -4.103 3602TIP3 H217116 1.404 1.812 -4.018 3603TIP3 OH217117 2.446 2.113 -3.059 3603TIP3 H117118 2.490 2.041 -3.109 3603TIP3 H217119 2.412 2.065 -2.982 3604TIP3 OH217120 2.167 1.709 -3.557 3604TIP3 H117121 2.072 1.702 -3.535 3604TIP3 H217122 2.209 1.688 -3.472 3605TIP3 OH217123 1.626 1.832 -3.692 3605TIP3 H117124 1.541 1.856 -3.735 3605TIP3 H217125 1.652 1.751 -3.740 3606TIP3 OH217126 1.982 1.867 -3.927 3606TIP3 H117127 2.078 1.872 -3.912 3606TIP3 H217128 1.963 1.939 -3.988 3607TIP3 OH217129 2.605 1.622 -3.255 3607TIP3 H117130 2.541 1.623 -3.181 3607TIP3 H217131 2.548 1.588 -3.326 3608TIP3 OH217132 1.860 1.995 -4.180 3608TIP3 H117133 1.780 1.945 -4.206 3608TIP3 H217134 1.927 1.949 -4.231 3609TIP3 OH217135 2.905 3.201 -2.589 3609TIP3 H117136 2.928 3.245 -2.672 3609TIP3 H217137 2.977 3.230 -2.530 3610TIP3 OH217138 1.696 2.463 -2.646 3610TIP3 H117139 1.763 2.470 -2.576 3610TIP3 H217140 1.615 2.459 -2.591 3611TIP3 OH217141 2.268 1.963 -3.375 3611TIP3 H117142 2.341 1.920 -3.421 3611TIP3 H217143 2.252 1.902 -3.300 3612TIP3 OH217144 1.801 1.604 -3.762 3612TIP3 H117145 1.743 1.527 -3.748 3612TIP3 H217146 1.882 1.563 -3.794 3613TIP3 OH217147 2.165 1.809 -3.151 3613TIP3 H117148 2.088 1.867 -3.149 3613TIP3 H217149 2.214 1.834 -3.069 3614TIP3 OH217150 2.180 2.446 -3.960 3614TIP3 H117151 2.106 2.391 -3.993 3614TIP3 H217152 2.161 2.453 -3.864 3615TIP3 OH217153 2.902 2.363 -3.087 3615TIP3 H117154 2.952 2.418 -3.151 3615TIP3 H217155 2.816 2.353 -3.133 3616TIP3 OH217156 2.601 1.721 -4.178 3616TIP3 H117157 2.505 1.719 -4.191 3616TIP3 H217158 2.617 1.802 -4.126 3617TIP3 OH217159 2.343 2.448 -2.828 3617TIP3 H117160 2.312 2.417 -2.742 3617TIP3 H217161 2.313 2.540 -2.828 3618TIP3 OH217162 2.655 1.910 -3.983 3618TIP3 H117163 2.744 1.893 -3.945 3618TIP3 H217164 2.668 1.991 -4.035 3619TIP3 OH217165 1.693 2.386 -3.378 3619TIP3 H117166 1.749 2.375 -3.456 3619TIP3 H217167 1.703 2.300 -3.333 3620TIP3 OH217168 2.422 2.582 -4.070 3620TIP3 H117169 2.395 2.671 -4.038 3620TIP3 H217170 2.346 2.529 -4.041 3621TIP3 OH217171 1.421 2.213 -2.853 3621TIP3 H117172 1.434 2.171 -2.766 3621TIP3 H217173 1.356 2.154 -2.895 3622TIP3 OH217174 2.116 2.165 -2.654 3622TIP3 H117175 2.082 2.139 -2.741 3622TIP3 H217176 2.209 2.137 -2.663 3623TIP3 OH217177 2.569 2.706 -2.881 3623TIP3 H117178 2.473 2.716 -2.887 3623TIP3 H217179 2.586 2.732 -2.789 3624TIP3 OH217180 3.128 1.919 -3.999 3624TIP3 H117181 3.065 1.900 -4.071 3624TIP3 H217182 3.139 2.015 -4.017 3625TIP3 OH217183 3.168 2.516 -2.724 3625TIP3 H117184 3.075 2.538 -2.743 3625TIP3 H217185 3.202 2.499 -2.814 3626TIP3 OH217186 2.941 2.766 -4.000 3626TIP3 H117187 2.924 2.691 -3.941 3626TIP3 H217188 2.988 2.725 -4.073 3627TIP3 OH217189 2.668 2.307 -3.256 3627TIP3 H117190 2.574 2.291 -3.280 3627TIP3 H217191 2.711 2.235 -3.306 3628TIP3 OH217192 1.931 2.714 -3.657 3628TIP3 H117193 1.972 2.801 -3.664 3628TIP3 H217194 1.838 2.735 -3.674 3629TIP3 OH217195 1.540 2.207 -4.200 3629TIP3 H117196 1.592 2.274 -4.151 3629TIP3 H217197 1.449 2.225 -4.170 3630TIP3 OH217198 2.112 2.484 -3.694 3630TIP3 H117199 2.084 2.575 -3.676 3630TIP3 H217200 2.044 2.433 -3.648 3631TIP3 OH217201 2.130 2.910 -3.055 3631TIP3 H117202 2.186 2.984 -3.083 3631TIP3 H217203 2.192 2.861 -2.998 3632TIP3 OH217204 1.975 3.005 -3.735 3632TIP3 H117205 1.879 3.019 -3.724 3632TIP3 H217206 2.010 3.092 -3.708 3633TIP3 OH217207 2.471 2.484 -3.099 3633TIP3 H117208 2.443 2.457 -3.009 3633TIP3 H217209 2.545 2.424 -3.115 3634TIP3 OH217210 2.684 2.608 -4.195 3634TIP3 H117211 2.737 2.569 -4.123 3634TIP3 H217212 2.596 2.601 -4.155 3635TIP3 OH217213 2.766 2.942 -2.859 3635TIP3 H117214 2.690 2.897 -2.901 3635TIP3 H217215 2.776 3.021 -2.914 3636TIP3 OH217216 3.172 3.061 -4.159 3636TIP3 H117217 3.244 3.125 -4.142 3636TIP3 H217218 3.094 3.116 -4.138 3637TIP3 OH217219 1.550 1.678 -2.891 3637TIP3 H117220 1.459 1.704 -2.915 3637TIP3 H217221 1.535 1.592 -2.848 3638TIP3 OH217222 2.784 2.473 -3.967 3638TIP3 H117223 2.757 2.398 -3.911 3638TIP3 H217224 2.881 2.470 -3.959 3639TIP3 OH217225 1.527 2.854 -3.050 3639TIP3 H117226 1.556 2.763 -3.033 3639TIP3 H217227 1.548 2.895 -2.966 3640TIP3 OH217228 2.135 2.717 -4.329 3640TIP3 H117229 2.176 2.632 -4.353 3640TIP3 H217230 2.087 2.692 -4.248 3641TIP3 OH217231 1.995 2.670 -4.080 3641TIP3 H117232 2.043 2.620 -4.012 3641TIP3 H217233 2.011 2.763 -4.051 3642TIP3 OH217234 1.684 2.412 -4.035 3642TIP3 H117235 1.605 2.448 -3.989 3642TIP3 H217236 1.724 2.494 -4.068 3643TIP3 OH217237 2.448 1.663 -3.036 3643TIP3 H117238 2.509 1.688 -2.966 3643TIP3 H217239 2.398 1.589 -2.995 3644TIP3 OH217240 2.504 1.622 -3.921 3644TIP3 H117241 2.540 1.666 -4.000 3644TIP3 H217242 2.559 1.658 -3.851 3645TIP3 OH217243 2.286 2.830 -4.032 3645TIP3 H117244 2.211 2.883 -4.000 3645TIP3 H217245 2.342 2.899 -4.071 3646TIP3 OH217246 2.245 1.814 -3.815 3646TIP3 H117247 2.328 1.865 -3.802 3646TIP3 H217248 2.222 1.791 -3.723 3647TIP3 OH217249 2.289 1.897 -2.900 3647TIP3 H117250 2.293 1.949 -2.818 3647TIP3 H217251 2.342 1.820 -2.876 3648TIP3 OH217252 2.315 1.511 -3.724 3648TIP3 H117253 2.296 1.579 -3.657 3648TIP3 H217254 2.386 1.554 -3.775 3649TIP3 OH217255 2.005 2.949 -4.026 3649TIP3 H117256 2.012 3.034 -4.073 3649TIP3 H217257 1.994 2.977 -3.933 3650TIP3 OH217258 1.884 1.615 -4.082 3650TIP3 H117259 1.882 1.684 -4.014 3650TIP3 H217260 1.958 1.560 -4.049 3651TIP3 OH217261 2.916 1.699 -2.810 3651TIP3 H117262 2.820 1.712 -2.826 3651TIP3 H217263 2.942 1.675 -2.900 3652TIP3 OH217264 2.767 2.082 -3.408 3652TIP3 H117265 2.685 2.037 -3.435 3652TIP3 H217266 2.816 2.010 -3.362 3653TIP3 OH217267 1.717 2.705 -4.154 3653TIP3 H117268 1.800 2.736 -4.114 3653TIP3 H217269 1.750 2.662 -4.235 3654TIP3 OH217270 1.550 1.928 -4.251 3654TIP3 H117271 1.555 2.024 -4.235 3654TIP3 H217272 1.462 1.920 -4.290 3655TIP3 OH217273 2.873 2.970 -3.267 3655TIP3 H117274 2.856 3.050 -3.319 3655TIP3 H217275 2.967 2.981 -3.248 3656TIP3 OH217276 1.629 1.419 -3.371 3656TIP3 H117277 1.613 1.416 -3.467 3656TIP3 H217278 1.597 1.332 -3.341 3657TIP3 OH217279 1.517 2.769 -3.748 3657TIP3 H117280 1.440 2.822 -3.723 3657TIP3 H217281 1.557 2.822 -3.818 3658TIP3 OH217282 1.460 3.059 -2.628 3658TIP3 H117283 1.518 3.030 -2.555 3658TIP3 H217284 1.421 2.973 -2.657 3659TIP3 OH217285 1.928 2.966 -2.450 3659TIP3 H117286 1.998 2.902 -2.428 3659TIP3 H217287 1.906 2.938 -2.541 3660TIP3 OH217288 2.351 2.902 -4.335 3660TIP3 H117289 2.271 2.846 -4.326 3660TIP3 H217290 2.418 2.834 -4.352 3661TIP3 OH217291 2.577 2.792 -2.593 3661TIP3 H117292 2.538 2.711 -2.555 3661TIP3 H217293 2.646 2.814 -2.527 3662TIP3 OH217294 2.741 2.870 -4.289 3662TIP3 H117295 2.766 2.792 -4.239 3662TIP3 H217296 2.827 2.910 -4.314 3663TIP3 OH217297 1.454 2.422 -2.517 3663TIP3 H117298 1.462 2.330 -2.547 3663TIP3 H217299 1.377 2.452 -2.568 3664TIP3 OH217300 1.885 2.434 -4.320 3664TIP3 H117301 1.918 2.418 -4.231 3664TIP3 H217302 1.961 2.470 -4.368 3665TIP3 OH217303 2.120 2.441 -2.583 3665TIP3 H117304 2.088 2.474 -2.668 3665TIP3 H217305 2.125 2.344 -2.598 3666TIP3 OH217306 2.410 2.580 -4.347 3666TIP3 H117307 2.428 2.597 -4.253 3666TIP3 H217308 2.481 2.519 -4.372 3667TIP3 OH217309 2.656 2.402 -2.843 3667TIP3 H117310 2.734 2.456 -2.863 3667TIP3 H217311 2.586 2.470 -2.845 3668TIP3 OH217312 1.542 2.137 -2.599 3668TIP3 H117313 1.613 2.071 -2.598 3668TIP3 H217314 1.536 2.158 -2.504 3669TIP3 OH217315 1.995 2.256 -4.090 3669TIP3 H117316 1.928 2.236 -4.024 3669TIP3 H217317 1.976 2.185 -4.154 3670TIP3 OH217318 1.906 2.047 -2.858 3670TIP3 H117319 1.854 2.126 -2.835 3670TIP3 H217320 1.972 2.085 -2.918 3671TIP3 OH217321 2.438 2.320 -2.499 3671TIP3 H117322 2.528 2.301 -2.532 3671TIP3 H217323 2.411 2.234 -2.463 3672TIP3 OH217324 1.968 1.780 -2.742 3672TIP3 H117325 1.973 1.712 -2.813 3672TIP3 H217326 1.945 1.859 -2.793 3673TIP3 OH217327 2.000 1.625 -2.997 3673TIP3 H117328 2.052 1.676 -3.061 3673TIP3 H217329 1.909 1.628 -3.033 3674TIP3 OH217330 2.155 2.169 -2.956 3674TIP3 H117331 2.238 2.161 -3.005 3674TIP3 H217332 2.124 2.257 -2.987 3675TIP3 OH217333 2.614 1.961 -2.470 3675TIP3 H117334 2.639 1.868 -2.478 3675TIP3 H217335 2.699 2.005 -2.486 3676TIP3 OH217336 2.709 2.241 -2.628 3676TIP3 H117337 2.675 2.303 -2.697 3676TIP3 H217338 2.799 2.227 -2.664 3677TIP3 OH217339 1.789 1.962 -2.562 3677TIP3 H117340 1.734 1.882 -2.561 3677TIP3 H217341 1.869 1.931 -2.607 3678TIP3 OH217342 2.072 1.358 -2.960 3678TIP3 H117343 2.054 1.453 -2.977 3678TIP3 H217344 2.003 1.315 -3.015 3679TIP3 OH217345 2.198 1.814 -2.582 3679TIP3 H117346 2.160 1.793 -2.494 3679TIP3 H217347 2.120 1.796 -2.638 3680TIP3 OH217348 2.454 1.721 -2.694 3680TIP3 H117349 2.364 1.724 -2.656 3680TIP3 H217350 2.498 1.655 -2.637 3681TIP3 OH217351 2.637 1.572 -2.515 3681TIP3 H117352 2.623 1.475 -2.507 3681TIP3 H217353 2.615 1.604 -2.427 3682TIP3 OH217354 1.656 1.708 -2.578 3682TIP3 H117355 1.645 1.637 -2.644 3682TIP3 H217356 1.631 1.661 -2.496 3683TIP3 OH217357 2.056 1.306 -2.679 3683TIP3 H117358 2.117 1.230 -2.675 3683TIP3 H217359 2.052 1.321 -2.775 3684TIP3 OH217360 2.151 1.494 -2.494 3684TIP3 H117361 2.121 1.434 -2.565 3684TIP3 H217362 2.081 1.561 -2.491 3685TIP3 OH217363 2.064 3.194 -4.174 3685TIP3 H117364 2.158 3.213 -4.160 3685TIP3 H217365 2.039 3.259 -4.242 3686TIP3 OH217366 1.449 2.599 -4.194 3686TIP3 H117367 1.537 2.641 -4.198 3686TIP3 H217368 1.443 2.552 -4.279 3687TIP3 OH217369 1.354 3.153 -3.723 3687TIP3 H117370 1.279 3.120 -3.776 3687TIP3 H217371 1.356 3.088 -3.650 3688TIP3 OH217372 1.388 2.957 -3.520 3688TIP3 H117373 1.358 2.871 -3.488 3688TIP3 H217374 1.421 2.994 -3.437 3689TIP3 OH217375 3.154 3.081 -3.224 3689TIP3 H117376 3.171 3.080 -3.129 3689TIP3 H217377 3.236 3.121 -3.258 3690TIP3 OH217378 3.130 3.030 -2.930 3690TIP3 H117379 3.081 2.956 -2.969 3690TIP3 H217380 3.187 2.982 -2.868 3691TIP3 OH217381 2.931 2.571 -2.501 3691TIP3 H117382 2.842 2.582 -2.462 3691TIP3 H217383 2.976 2.652 -2.472 3692TIP3 OH217384 3.071 2.456 -3.931 3692TIP3 H117385 3.161 2.493 -3.917 3692TIP3 H217386 3.068 2.393 -3.856 3693TIP3 OH217387 3.116 2.256 -3.732 3693TIP3 H117388 3.049 2.201 -3.687 3693TIP3 H217389 3.185 2.270 -3.664 3694TIP3 OH217390 3.089 2.508 -3.234 3694TIP3 H117391 3.151 2.460 -3.290 3694TIP3 H217392 3.103 2.599 -3.263 3695TIP3 OH217393 2.961 2.798 -3.008 3695TIP3 H117394 2.888 2.840 -2.959 3695TIP3 H217395 2.916 2.764 -3.088 3696TIP3 OH217396 3.145 2.223 -4.107 3696TIP3 H117397 3.084 2.253 -4.175 3696TIP3 H217398 3.127 2.289 -4.038 3697TIP3 OH217399 2.967 1.963 -4.213 3697TIP3 H117400 2.997 2.034 -4.272 3697TIP3 H217401 2.999 1.885 -4.259 3698TIP3 OH217402 2.907 2.073 -3.651 3698TIP3 H117403 2.900 1.977 -3.668 3698TIP3 H217404 2.869 2.082 -3.561 3699TIP3 OH217405 1.395 2.292 -3.280 3699TIP3 H117406 1.420 2.298 -3.374 3699TIP3 H217407 1.481 2.271 -3.239 3700TIP3 OH217408 2.970 2.264 -2.735 3700TIP3 H117409 3.045 2.203 -2.719 3700TIP3 H217410 3.015 2.347 -2.756 3701TIP3 OH217411 3.126 2.074 -2.611 3701TIP3 H117412 3.047 2.021 -2.636 3701TIP3 H217413 3.197 2.007 -2.617 3702TIP3 OH217414 2.889 1.651 -4.333 3702TIP3 H117415 2.945 1.617 -4.262 3702TIP3 H217416 2.803 1.609 -4.318 3703TIP3 OH217417 2.891 1.824 -3.835 3703TIP3 H117418 2.917 1.730 -3.828 3703TIP3 H217419 2.973 1.862 -3.872 3704TIP3 OH217420 2.921 1.882 -3.289 3704TIP3 H117421 3.018 1.893 -3.291 3704TIP3 H217422 2.906 1.884 -3.193 3705TIP3 OH217423 2.937 1.952 -3.006 3705TIP3 H117424 2.851 1.990 -2.980 3705TIP3 H217425 2.989 2.031 -3.028 3706TIP3 OH217426 1.388 1.831 -2.643 3706TIP3 H117427 1.482 1.804 -2.635 3706TIP3 H217428 1.343 1.745 -2.634 3707TIP3 OH217429 3.191 1.367 -2.478 3707TIP3 H117430 3.234 1.297 -2.531 3707TIP3 H217431 3.196 1.444 -2.537 3708TIP3 OH217432 2.942 1.549 -3.830 3708TIP3 H117433 2.952 1.511 -3.741 3708TIP3 H217434 2.868 1.495 -3.865 3709TIP3 OH217435 1.463 1.661 -3.359 3709TIP3 H117436 1.510 1.576 -3.353 3709TIP3 H217437 1.531 1.721 -3.324 3710TIP3 OH217438 1.317 1.929 -3.255 3710TIP3 H117439 1.375 1.926 -3.333 3710TIP3 H217440 1.353 2.005 -3.208 3711TIP3 OH217441 3.130 1.573 -2.654 3711TIP3 H117442 3.042 1.614 -2.651 3711TIP3 H217443 3.120 1.516 -2.733 3712TIP3 OH217444 3.145 1.587 -4.174 3712TIP3 H117445 3.168 1.517 -4.235 3712TIP3 H217446 3.228 1.638 -4.170 3713TIP3 OH217447 1.366 1.568 -3.849 3713TIP3 H117448 1.272 1.566 -3.872 3713TIP3 H217449 1.405 1.623 -3.919 3714TIP3 OH217450 2.826 3.086 -3.638 3714TIP3 H117451 2.872 3.064 -3.721 3714TIP3 H217452 2.897 3.129 -3.588 3715TIP3 OH217453 1.359 1.454 -3.020 3715TIP3 H117454 1.287 1.409 -2.976 3715TIP3 H217455 1.312 1.503 -3.091 3716TIP3 OH217456 1.570 2.763 -2.567 3716TIP3 H117457 1.497 2.758 -2.630 3716TIP3 H217458 1.525 2.754 -2.482 3717TIP3 OH217459 1.854 2.858 -3.000 3717TIP3 H117460 1.823 2.944 -3.035 3717TIP3 H217461 1.950 2.868 -3.017 3718TIP3 OH217462 2.305 2.989 -2.698 3718TIP3 H117463 2.319 2.972 -2.604 3718TIP3 H217464 2.388 3.034 -2.723 3719TIP3 OH217465 2.534 3.135 -2.775 3719TIP3 H117466 2.603 3.071 -2.797 3719TIP3 H217467 2.564 3.165 -2.687 3720TIP3 OH217468 3.017 1.395 -2.855 3720TIP3 H117469 2.937 1.413 -2.906 3720TIP3 H217470 3.039 1.305 -2.888 3721TIP3 OH217471 1.592 3.154 -2.966 3721TIP3 H117472 1.532 3.217 -3.011 3721TIP3 H217473 1.558 3.158 -2.876 3722TIP3 OH217474 1.841 3.131 -3.111 3722TIP3 H117475 1.756 3.150 -3.068 3722TIP3 H217476 1.844 3.201 -3.180 3723TIP3 OH217477 2.315 3.131 -3.155 3723TIP3 H117478 2.278 3.176 -3.233 3723TIP3 H217479 2.324 3.205 -3.092 3724TIP3 OH217480 2.549 3.002 -3.063 3724TIP3 H117481 2.464 3.039 -3.096 3724TIP3 H217482 2.605 3.081 -3.065 3725TIP3 OH217483 2.802 3.175 -3.044 3725TIP3 H117484 2.798 3.270 -3.067 3725TIP3 H217485 2.830 3.137 -3.129 3726TIP3 OH217486 1.550 3.034 -3.272 3726TIP3 H117487 1.548 2.985 -3.187 3726TIP3 H217488 1.626 2.990 -3.315 3727TIP3 OH217489 1.752 2.909 -3.429 3727TIP3 H117490 1.736 2.816 -3.401 3727TIP3 H217491 1.843 2.924 -3.396 3728TIP3 OH217492 2.027 2.955 -3.339 3728TIP3 H117493 2.046 2.862 -3.360 3728TIP3 H217494 2.034 2.953 -3.243 3729TIP3 OH217495 2.360 1.544 -3.410 3729TIP3 H117496 2.291 1.477 -3.395 3729TIP3 H217497 2.420 1.498 -3.470 3730TIP3 OH217498 2.855 1.348 -3.362 3730TIP3 H117499 2.931 1.391 -3.405 3730TIP3 H217500 2.780 1.375 -3.418 3731TIP3 OH217501 3.064 1.456 -3.575 3731TIP3 H117502 3.134 1.416 -3.628 3731TIP3 H217503 3.095 1.549 -3.567 3732TIP3 OH217504 1.596 1.416 -3.653 3732TIP3 H117505 1.510 1.404 -3.697 3732TIP3 H217506 1.637 1.329 -3.668 3733TIP3 OH217507 1.476 1.371 -4.079 3733TIP3 H117508 1.533 1.435 -4.127 3733TIP3 H217509 1.440 1.427 -4.008 3734TIP3 OH217510 2.041 1.402 -3.666 3734TIP3 H117511 2.134 1.428 -3.680 3734TIP3 H217512 2.040 1.389 -3.570 3735TIP3 OH217513 2.603 1.402 -3.524 3735TIP3 H117514 2.627 1.387 -3.616 3735TIP3 H217515 2.563 1.317 -3.500 3736TIP3 OH217516 2.706 1.400 -3.920 3736TIP3 H117517 2.628 1.445 -3.956 3736TIP3 H217518 2.674 1.308 -3.914 3737TIP3 OH217519 1.484 2.962 -3.967 3737TIP3 H117520 1.410 2.960 -4.031 3737TIP3 H217521 1.482 3.054 -3.940 3738TIP3 OH217522 1.642 1.546 -4.229 3738TIP3 H117523 1.693 1.483 -4.283 3738TIP3 H217524 1.712 1.589 -4.178 3739TIP3 OH217525 2.155 1.564 -3.959 3739TIP3 H117526 2.194 1.508 -3.891 3739TIP3 H217527 2.178 1.652 -3.924 3740TIP3 OH217528 2.359 3.124 -4.145 3740TIP3 H117529 2.457 3.136 -4.149 3740TIP3 H217530 2.348 3.064 -4.221 3741TIP3 OH217531 3.003 3.045 -3.885 3741TIP3 H117532 2.983 2.962 -3.932 3741TIP3 H217533 2.999 3.111 -3.957 3742TIP3 OH217534 1.575 1.438 -2.701 3742TIP3 H117535 1.535 1.357 -2.664 3742TIP3 H217536 1.667 1.427 -2.673 3743TIP3 OH217537 1.814 1.378 -2.526 3743TIP3 H117538 1.896 1.344 -2.568 3743TIP3 H217539 1.778 1.298 -2.485 3744TIP3 OH217540 1.682 3.068 -4.232 3744TIP3 H117541 1.640 3.095 -4.150 3744TIP3 H217542 1.746 3.001 -4.205 3745TIP3 OH217543 2.626 1.292 -2.509 3745TIP3 H117544 2.629 1.247 -2.422 3745TIP3 H217545 2.720 1.286 -2.536 3746TIP3 OH217546 2.962 2.923 -2.641 3746TIP3 H117547 2.889 2.903 -2.702 3746TIP3 H217548 2.945 3.016 -2.621 3747TIP3 OH217549 4.213 2.197 -3.313 3747TIP3 H117550 4.291 2.228 -3.263 3747TIP3 H217551 4.246 2.197 -3.403 3748TIP3 OH217552 3.515 2.193 -3.152 3748TIP3 H117553 3.514 2.118 -3.089 3748TIP3 H217554 3.587 2.247 -3.117 3749TIP3 OH217555 3.580 2.655 -3.300 3749TIP3 H117556 3.557 2.564 -3.328 3749TIP3 H217557 3.675 2.644 -3.282 3750TIP3 OH217558 3.281 1.996 -3.763 3750TIP3 H117559 3.241 2.084 -3.752 3750TIP3 H217560 3.210 1.948 -3.808 3751TIP3 OH217561 3.360 2.242 -3.579 3751TIP3 H117562 3.376 2.159 -3.529 3751TIP3 H217563 3.445 2.255 -3.624 3752TIP3 OH217564 4.120 2.485 -3.253 3752TIP3 H117565 4.146 2.412 -3.310 3752TIP3 H217566 4.204 2.507 -3.210 3753TIP3 OH217567 3.745 1.720 -3.505 3753TIP3 H117568 3.758 1.806 -3.549 3753TIP3 H217569 3.707 1.669 -3.579 3754TIP3 OH217570 3.412 1.992 -3.453 3754TIP3 H117571 3.475 1.945 -3.397 3754TIP3 H217572 3.420 1.944 -3.537 3755TIP3 OH217573 3.952 2.129 -3.507 3755TIP3 H117574 4.027 2.077 -3.472 3755TIP3 H217575 3.902 2.059 -3.553 3756TIP3 OH217576 3.624 1.598 -3.089 3756TIP3 H117577 3.584 1.649 -3.161 3756TIP3 H217578 3.558 1.612 -3.018 3757TIP3 OH217579 3.915 2.381 -3.074 3757TIP3 H117580 3.843 2.442 -3.049 3757TIP3 H217581 3.980 2.442 -3.114 3758TIP3 OH217582 3.584 1.803 -3.295 3758TIP3 H117583 3.648 1.861 -3.249 3758TIP3 H217584 3.642 1.766 -3.365 3759TIP3 OH217585 3.715 2.573 -3.002 3759TIP3 H117586 3.714 2.664 -3.036 3759TIP3 H217587 3.628 2.570 -2.959 3760TIP3 OH217588 3.345 2.547 -3.918 3760TIP3 H117589 3.327 2.593 -4.002 3760TIP3 H217590 3.364 2.621 -3.856 3761TIP3 OH217591 4.043 1.345 -3.375 3761TIP3 H117592 4.014 1.252 -3.375 3761TIP3 H217593 3.963 1.389 -3.338 3762TIP3 OH217594 4.272 2.224 -3.918 3762TIP3 H117595 4.202 2.293 -3.922 3762TIP3 H217596 4.338 2.264 -3.976 3763TIP3 OH217597 4.286 2.082 -4.213 3763TIP3 H117598 4.352 2.089 -4.142 3763TIP3 H217599 4.302 1.995 -4.247 3764TIP3 OH217600 3.758 2.317 -3.614 3764TIP3 H117601 3.729 2.274 -3.697 3764TIP3 H217602 3.824 2.254 -3.580 3765TIP3 OH217603 3.896 2.656 -3.339 3765TIP3 H117604 3.888 2.619 -3.428 3765TIP3 H217605 3.976 2.612 -3.306 3766TIP3 OH217606 3.815 2.201 -3.267 3766TIP3 H117607 3.876 2.199 -3.344 3766TIP3 H217608 3.857 2.266 -3.209 3767TIP3 OH217609 3.903 2.635 -2.784 3767TIP3 H117610 3.852 2.701 -2.736 3767TIP3 H217611 3.840 2.608 -2.854 3768TIP3 OH217612 3.595 2.269 -2.869 3768TIP3 H117613 3.600 2.330 -2.794 3768TIP3 H217614 3.499 2.259 -2.880 3769TIP3 OH217615 4.251 2.844 -3.699 3769TIP3 H117616 4.299 2.892 -3.630 3769TIP3 H217617 4.199 2.914 -3.740 3770TIP3 OH217618 3.711 2.852 -2.701 3770TIP3 H117619 3.701 2.855 -2.798 3770TIP3 H217620 3.623 2.823 -2.671 3771TIP3 OH217621 3.652 2.192 -3.865 3771TIP3 H117622 3.628 2.269 -3.918 3771TIP3 H217623 3.582 2.130 -3.887 3772TIP3 OH217624 3.255 2.461 -2.989 3772TIP3 H117625 3.212 2.461 -3.077 3772TIP3 H217626 3.269 2.366 -2.974 3773TIP3 OH217627 3.261 2.753 -3.296 3773TIP3 H117628 3.355 2.726 -3.293 3773TIP3 H217629 3.257 2.816 -3.222 3774TIP3 OH217630 4.173 2.735 -2.833 3774TIP3 H117631 4.180 2.824 -2.795 3774TIP3 H217632 4.082 2.709 -2.812 3775TIP3 OH217633 4.183 3.116 -3.846 3775TIP3 H117634 4.206 3.111 -3.940 3775TIP3 H217635 4.211 3.205 -3.821 3776TIP3 OH217636 3.578 3.004 -3.703 3776TIP3 H117637 3.586 3.013 -3.607 3776TIP3 H217638 3.486 3.030 -3.715 3777TIP3 OH217639 3.474 2.620 -2.867 3777TIP3 H117640 3.500 2.572 -2.786 3777TIP3 H217641 3.401 2.566 -2.902 3778TIP3 OH217642 3.797 1.462 -3.291 3778TIP3 H117643 3.714 1.455 -3.341 3778TIP3 H217644 3.776 1.536 -3.232 3779TIP3 OH217645 4.234 1.399 -2.862 3779TIP3 H117646 4.245 1.326 -2.799 3779TIP3 H217647 4.142 1.381 -2.894 3780TIP3 OH217648 4.223 1.669 -4.207 3780TIP3 H117649 4.159 1.666 -4.136 3780TIP3 H217650 4.189 1.603 -4.268 3781TIP3 OH217651 3.779 1.942 -3.149 3781TIP3 H117652 3.720 1.954 -3.072 3781TIP3 H217653 3.787 2.034 -3.184 3782TIP3 OH217654 3.774 1.948 -3.660 3782TIP3 H117655 3.678 1.939 -3.676 3782TIP3 H217656 3.809 1.932 -3.750 3783TIP3 OH217657 4.272 1.999 -3.711 3783TIP3 H117658 4.266 2.093 -3.736 3783TIP3 H217659 4.366 1.990 -3.689 3784TIP3 OH217660 4.252 2.032 -2.626 3784TIP3 H117661 4.195 1.952 -2.613 3784TIP3 H217662 4.338 1.987 -2.629 3785TIP3 OH217663 3.515 1.959 -2.963 3785TIP3 H117664 3.544 1.988 -2.876 3785TIP3 H217665 3.482 1.870 -2.944 3786TIP3 OH217666 3.893 1.693 -4.314 3786TIP3 H117667 3.855 1.673 -4.226 3786TIP3 H217668 3.822 1.750 -4.350 3787TIP3 OH217669 3.200 1.705 -3.600 3787TIP3 H117670 3.261 1.701 -3.525 3787TIP3 H217671 3.250 1.666 -3.673 3788TIP3 OH217672 3.358 1.748 -4.039 3788TIP3 H117673 3.413 1.798 -4.102 3788TIP3 H217674 3.290 1.814 -4.017 3789TIP3 OH217675 4.350 2.084 -3.022 3789TIP3 H117676 4.378 2.018 -3.089 3789TIP3 H217677 4.272 2.040 -2.987 3790TIP3 OH217678 4.047 1.683 -3.553 3790TIP3 H117679 3.954 1.697 -3.532 3790TIP3 H217680 4.089 1.714 -3.471 3791TIP3 OH217681 3.509 1.830 -3.690 3791TIP3 H117682 3.427 1.857 -3.734 3791TIP3 H217683 3.536 1.751 -3.740 3792TIP3 OH217684 3.872 1.865 -3.926 3792TIP3 H117685 3.967 1.881 -3.919 3792TIP3 H217686 3.843 1.925 -3.997 3793TIP3 OH217687 3.731 1.981 -4.157 3793TIP3 H117688 3.667 1.934 -4.213 3793TIP3 H217689 3.803 2.000 -4.219 3794TIP3 OH217690 3.581 2.462 -2.648 3794TIP3 H117691 3.650 2.471 -2.578 3794TIP3 H217692 3.501 2.463 -2.591 3795TIP3 OH217693 4.137 1.917 -3.414 3795TIP3 H117694 4.219 1.893 -3.460 3795TIP3 H217695 4.164 1.913 -3.321 3796TIP3 OH217696 3.684 1.604 -3.764 3796TIP3 H117697 3.627 1.527 -3.746 3796TIP3 H217698 3.767 1.562 -3.792 3797TIP3 OH217699 4.048 1.796 -3.144 3797TIP3 H117700 3.980 1.863 -3.161 3797TIP3 H217701 4.101 1.837 -3.073 3798TIP3 OH217702 4.071 2.428 -3.953 3798TIP3 H117703 3.991 2.387 -3.990 3798TIP3 H217704 4.048 2.443 -3.858 3799TIP3 OH217705 4.206 2.433 -2.832 3799TIP3 H117706 4.183 2.424 -2.740 3799TIP3 H217707 4.214 2.529 -2.845 3800TIP3 OH217708 3.577 2.385 -3.379 3800TIP3 H117709 3.635 2.376 -3.457 3800TIP3 H217710 3.591 2.299 -3.335 3801TIP3 OH217711 4.282 2.574 -4.050 3801TIP3 H117712 4.252 2.666 -4.035 3801TIP3 H217713 4.205 2.524 -4.018 3802TIP3 OH217714 3.303 2.214 -2.851 3802TIP3 H117715 3.321 2.168 -2.766 3802TIP3 H217716 3.244 2.153 -2.897 3803TIP3 OH217717 4.002 2.164 -2.650 3803TIP3 H117718 3.967 2.134 -2.736 3803TIP3 H217719 4.096 2.140 -2.659 3804TIP3 OH217720 3.814 2.715 -3.654 3804TIP3 H117721 3.856 2.802 -3.665 3804TIP3 H217722 3.721 2.738 -3.672 3805TIP3 OH217723 3.424 2.205 -4.200 3805TIP3 H117724 3.479 2.271 -4.153 3805TIP3 H217725 3.334 2.226 -4.167 3806TIP3 OH217726 3.994 2.482 -3.692 3806TIP3 H117727 3.970 2.575 -3.677 3806TIP3 H217728 3.922 2.436 -3.648 3807TIP3 OH217729 4.020 2.913 -3.050 3807TIP3 H117730 4.078 2.983 -3.087 3807TIP3 H217731 4.085 2.861 -3.001 3808TIP3 OH217732 3.856 3.005 -3.734 3808TIP3 H117733 3.758 3.013 -3.726 3808TIP3 H217734 3.885 3.094 -3.708 3809TIP3 OH217735 3.436 1.680 -2.890 3809TIP3 H117736 3.345 1.704 -2.917 3809TIP3 H217737 3.421 1.592 -2.850 3810TIP3 OH217738 3.410 2.861 -3.060 3810TIP3 H117739 3.443 2.772 -3.047 3810TIP3 H217740 3.436 2.903 -2.978 3811TIP3 OH217741 4.012 2.712 -4.333 3811TIP3 H117742 4.077 2.641 -4.348 3811TIP3 H217743 3.972 2.685 -4.248 3812TIP3 OH217744 3.883 2.666 -4.075 3812TIP3 H117745 3.931 2.618 -4.006 3812TIP3 H217746 3.898 2.759 -4.049 3813TIP3 OH217747 3.562 2.410 -4.036 3813TIP3 H117748 3.488 2.451 -3.987 3813TIP3 H217749 3.610 2.489 -4.065 3814TIP3 OH217750 4.339 1.707 -2.982 3814TIP3 H117751 4.381 1.628 -2.948 3814TIP3 H217752 4.274 1.669 -3.043 3815TIP3 OH217753 4.162 2.830 -4.028 3815TIP3 H117754 4.086 2.881 -3.999 3815TIP3 H217755 4.216 2.901 -4.067 3816TIP3 OH217756 4.139 1.791 -3.816 3816TIP3 H117757 4.198 1.865 -3.788 3816TIP3 H217758 4.100 1.773 -3.729 3817TIP3 OH217759 4.163 1.892 -2.895 3817TIP3 H117760 4.183 1.945 -2.817 3817TIP3 H217761 4.236 1.827 -2.898 3818TIP3 OH217762 4.194 1.502 -3.698 3818TIP3 H117763 4.164 1.580 -3.645 3818TIP3 H217764 4.272 1.539 -3.744 3819TIP3 OH217765 3.888 2.947 -4.026 3819TIP3 H117766 3.899 3.032 -4.072 3819TIP3 H217767 3.874 2.976 -3.934 3820TIP3 OH217768 3.770 1.616 -4.081 3820TIP3 H117769 3.761 1.688 -4.016 3820TIP3 H217770 3.844 1.565 -4.044 3821TIP3 OH217771 3.604 2.702 -4.157 3821TIP3 H117772 3.682 2.738 -4.112 3821TIP3 H217773 3.646 2.654 -4.229 3822TIP3 OH217774 3.433 1.923 -4.257 3822TIP3 H117775 3.445 2.018 -4.240 3822TIP3 H217776 3.341 1.921 -4.291 3823TIP3 OH217777 3.517 1.418 -3.371 3823TIP3 H117778 3.498 1.416 -3.467 3823TIP3 H217779 3.483 1.332 -3.340 3824TIP3 OH217780 3.396 2.765 -3.756 3824TIP3 H117781 3.334 2.826 -3.714 3824TIP3 H217782 3.461 2.826 -3.793 3825TIP3 OH217783 3.345 3.059 -2.628 3825TIP3 H117784 3.404 3.031 -2.555 3825TIP3 H217785 3.307 2.974 -2.657 3826TIP3 OH217786 3.814 2.966 -2.451 3826TIP3 H117787 3.882 2.899 -2.429 3826TIP3 H217788 3.790 2.938 -2.541 3827TIP3 OH217789 4.224 2.900 -4.338 3827TIP3 H117790 4.150 2.837 -4.329 3827TIP3 H217791 4.297 2.842 -4.363 3828TIP3 OH217792 3.339 2.420 -2.515 3828TIP3 H117793 3.351 2.331 -2.553 3828TIP3 H217794 3.264 2.453 -2.569 3829TIP3 OH217795 3.765 2.460 -4.315 3829TIP3 H117796 3.792 2.414 -4.234 3829TIP3 H217797 3.848 2.467 -4.366 3830TIP3 OH217798 4.007 2.443 -2.584 3830TIP3 H117799 3.979 2.476 -2.671 3830TIP3 H217800 4.015 2.346 -2.599 3831TIP3 OH217801 4.272 2.576 -4.350 3831TIP3 H117802 4.323 2.613 -4.275 3831TIP3 H217803 4.333 2.509 -4.383 3832TIP3 OH217804 3.426 2.133 -2.599 3832TIP3 H117805 3.501 2.072 -2.600 3832TIP3 H217806 3.423 2.157 -2.505 3833TIP3 OH217807 3.866 2.273 -4.093 3833TIP3 H117808 3.806 2.228 -4.031 3833TIP3 H217809 3.901 2.197 -4.144 3834TIP3 OH217810 3.795 2.052 -2.854 3834TIP3 H117811 3.739 2.130 -2.837 3834TIP3 H217812 3.853 2.085 -2.925 3835TIP3 OH217813 4.000 2.063 -4.269 3835TIP3 H117814 3.979 2.076 -4.363 3835TIP3 H217815 4.090 2.097 -4.260 3836TIP3 OH217816 4.283 2.298 -2.484 3836TIP3 H117817 4.353 2.267 -2.543 3836TIP3 H217818 4.267 2.217 -2.433 3837TIP3 OH217819 3.856 1.780 -2.740 3837TIP3 H117820 3.862 1.714 -2.812 3837TIP3 H217821 3.838 1.861 -2.791 3838TIP3 OH217822 3.886 1.623 -2.998 3838TIP3 H117823 3.937 1.681 -3.059 3838TIP3 H217824 3.795 1.628 -3.033 3839TIP3 OH217825 4.066 2.163 -2.966 3839TIP3 H117826 4.136 2.163 -3.033 3839TIP3 H217827 4.029 2.252 -2.978 3840TIP3 OH217828 3.673 1.961 -2.561 3840TIP3 H117829 3.620 1.879 -2.564 3840TIP3 H217830 3.754 1.933 -2.607 3841TIP3 OH217831 3.972 1.362 -2.962 3841TIP3 H117832 3.948 1.455 -2.979 3841TIP3 H217833 3.905 1.315 -3.016 3842TIP3 OH217834 4.103 1.807 -2.586 3842TIP3 H117835 4.062 1.782 -2.501 3842TIP3 H217836 4.030 1.785 -2.646 3843TIP3 OH217837 3.538 1.709 -2.579 3843TIP3 H117838 3.532 1.638 -2.645 3843TIP3 H217839 3.518 1.661 -2.497 3844TIP3 OH217840 3.945 1.309 -2.679 3844TIP3 H117841 4.003 1.232 -2.673 3844TIP3 H217842 3.942 1.324 -2.775 3845TIP3 OH217843 4.036 1.489 -2.486 3845TIP3 H117844 4.006 1.433 -2.560 3845TIP3 H217845 3.972 1.562 -2.487 3846TIP3 OH217846 3.960 3.193 -4.175 3846TIP3 H117847 4.053 3.212 -4.159 3846TIP3 H217848 3.935 3.261 -4.240 3847TIP3 OH217849 3.331 2.605 -4.200 3847TIP3 H117850 3.422 2.641 -4.194 3847TIP3 H217851 3.336 2.548 -4.278 3848TIP3 OH217852 3.251 3.136 -3.753 3848TIP3 H117853 3.158 3.112 -3.771 3848TIP3 H217854 3.263 3.105 -3.661 3849TIP3 OH217855 3.275 2.958 -3.517 3849TIP3 H117856 3.251 2.874 -3.475 3849TIP3 H217857 3.305 3.008 -3.439 3850TIP3 OH217858 3.280 2.291 -3.280 3850TIP3 H117859 3.305 2.299 -3.373 3850TIP3 H217860 3.368 2.271 -3.240 3851TIP3 OH217861 3.273 1.828 -2.638 3851TIP3 H117862 3.366 1.801 -2.637 3851TIP3 H217863 3.228 1.741 -2.633 3852TIP3 OH217864 3.349 1.661 -3.360 3852TIP3 H117865 3.395 1.576 -3.351 3852TIP3 H217866 3.417 1.722 -3.325 3853TIP3 OH217867 3.204 1.929 -3.254 3853TIP3 H117868 3.261 1.925 -3.333 3853TIP3 H217869 3.240 2.006 -3.209 3854TIP3 OH217870 3.252 1.564 -3.852 3854TIP3 H117871 3.157 1.565 -3.871 3854TIP3 H217872 3.289 1.623 -3.920 3855TIP3 OH217873 3.257 1.453 -3.033 3855TIP3 H117874 3.186 1.423 -2.975 3855TIP3 H217875 3.207 1.503 -3.100 3856TIP3 OH217876 3.456 2.757 -2.567 3856TIP3 H117877 3.383 2.759 -2.631 3856TIP3 H217878 3.409 2.757 -2.482 3857TIP3 OH217879 3.741 2.859 -2.999 3857TIP3 H117880 3.710 2.944 -3.033 3857TIP3 H217881 3.837 2.869 -3.016 3858TIP3 OH217882 4.219 3.023 -2.710 3858TIP3 H117883 4.205 2.985 -2.621 3858TIP3 H217884 4.314 3.043 -2.704 3859TIP3 OH217885 3.480 3.154 -2.961 3859TIP3 H117886 3.422 3.213 -3.013 3859TIP3 H217887 3.438 3.160 -2.875 3860TIP3 OH217888 3.738 3.139 -3.103 3860TIP3 H117889 3.649 3.151 -3.065 3860TIP3 H217890 3.731 3.190 -3.186 3861TIP3 OH217891 4.196 3.108 -3.156 3861TIP3 H117892 4.172 3.160 -3.234 3861TIP3 H217893 4.253 3.168 -3.107 3862TIP3 OH217894 3.437 3.070 -3.272 3862TIP3 H117895 3.443 3.007 -3.198 3862TIP3 H217896 3.509 3.040 -3.330 3863TIP3 OH217897 3.631 2.913 -3.423 3863TIP3 H117898 3.616 2.819 -3.401 3863TIP3 H217899 3.724 2.926 -3.397 3864TIP3 OH217900 3.914 2.960 -3.340 3864TIP3 H117901 3.933 2.868 -3.364 3864TIP3 H217902 3.920 2.955 -3.243 3865TIP3 OH217903 4.270 1.506 -3.404 3865TIP3 H117904 4.182 1.465 -3.394 3865TIP3 H217905 4.294 1.476 -3.492 3866TIP3 OH217906 3.483 1.416 -3.654 3866TIP3 H117907 3.395 1.404 -3.697 3866TIP3 H217908 3.523 1.329 -3.668 3867TIP3 OH217909 3.360 1.372 -4.082 3867TIP3 H117910 3.418 1.437 -4.127 3867TIP3 H217911 3.325 1.424 -4.008 3868TIP3 OH217912 3.933 1.397 -3.665 3868TIP3 H117913 4.025 1.429 -3.672 3868TIP3 H217914 3.924 1.390 -3.569 3869TIP3 OH217915 3.374 2.966 -3.983 3869TIP3 H117916 3.293 2.967 -4.035 3869TIP3 H217917 3.362 3.043 -3.926 3870TIP3 OH217918 3.527 1.543 -4.231 3870TIP3 H117919 3.585 1.485 -4.283 3870TIP3 H217920 3.592 1.595 -4.181 3871TIP3 OH217921 4.062 1.561 -3.965 3871TIP3 H117922 4.067 1.506 -3.886 3871TIP3 H217923 4.059 1.650 -3.926 3872TIP3 OH217924 4.261 3.068 -4.123 3872TIP3 H117925 4.317 3.146 -4.149 3872TIP3 H217926 4.244 3.031 -4.213 3873TIP3 OH217927 3.460 1.439 -2.699 3873TIP3 H117928 3.420 1.357 -2.665 3873TIP3 H217929 3.553 1.426 -2.673 3874TIP3 OH217930 3.698 1.377 -2.527 3874TIP3 H117931 3.781 1.342 -2.566 3874TIP3 H217932 3.663 1.298 -2.484 3875TIP3 OH217933 3.567 3.068 -4.231 3875TIP3 H117934 3.525 3.090 -4.146 3875TIP3 H217935 3.634 3.004 -4.206 3876TIP3 OH217936 -3.158 4.203 -3.646 3876TIP3 H117937 -3.188 4.295 -3.645 3876TIP3 H217938 -3.231 4.160 -3.693 3877TIP3 OH217939 -3.281 4.133 -3.317 3877TIP3 H117940 -3.275 4.080 -3.236 3877TIP3 H217941 -3.303 4.067 -3.384 3878TIP3 OH217942 -4.023 4.077 -3.161 3878TIP3 H117943 -4.035 4.008 -3.094 3878TIP3 H217944 -3.965 4.138 -3.114 3879TIP3 OH217945 -4.200 3.931 -3.847 3879TIP3 H117946 -4.244 4.010 -3.813 3879TIP3 H217947 -4.268 3.888 -3.901 3880TIP3 OH217948 -4.199 4.123 -3.595 3880TIP3 H117949 -4.192 4.052 -3.529 3880TIP3 H217950 -4.106 4.139 -3.613 3881TIP3 OH217951 -2.560 3.523 -3.199 3881TIP3 H117952 -2.535 3.584 -3.128 3881TIP3 H217953 -2.498 3.551 -3.270 3882TIP3 OH217954 -3.096 3.804 -3.212 3882TIP3 H117955 -3.082 3.708 -3.207 3882TIP3 H217956 -3.105 3.817 -3.307 3883TIP3 OH217957 -3.800 3.605 -3.505 3883TIP3 H117958 -3.786 3.690 -3.551 3883TIP3 H217959 -3.833 3.551 -3.580 3884TIP3 OH217960 -3.016 3.621 -3.674 3884TIP3 H117961 -2.958 3.578 -3.608 3884TIP3 H217962 -2.949 3.665 -3.729 3885TIP3 OH217963 -4.141 3.877 -3.452 3885TIP3 H117964 -4.077 3.839 -3.389 3885TIP3 H217965 -4.120 3.825 -3.532 3886TIP3 OH217966 -3.589 4.017 -3.506 3886TIP3 H117967 -3.522 3.959 -3.467 3886TIP3 H217968 -3.644 3.953 -3.554 3887TIP3 OH217969 -2.488 3.659 -2.951 3887TIP3 H117970 -2.546 3.732 -2.980 3887TIP3 H217971 -2.507 3.658 -2.856 3888TIP3 OH217972 -3.918 3.487 -3.088 3888TIP3 H117973 -3.963 3.531 -3.161 3888TIP3 H217974 -3.981 3.504 -3.014 3889TIP3 OH217975 -3.648 4.268 -3.109 3889TIP3 H117976 -3.728 4.323 -3.108 3889TIP3 H217977 -3.581 4.337 -3.119 3890TIP3 OH217978 -2.832 3.547 -3.470 3890TIP3 H117979 -2.871 3.488 -3.404 3890TIP3 H217980 -2.780 3.607 -3.414 3891TIP3 OH217981 -3.958 3.692 -3.297 3891TIP3 H117982 -3.894 3.749 -3.250 3891TIP3 H217983 -3.901 3.655 -3.367 3892TIP3 OH217984 -2.818 3.460 -3.085 3892TIP3 H117985 -2.895 3.501 -3.130 3892TIP3 H217986 -2.745 3.481 -3.147 3893TIP3 OH217987 -3.505 3.233 -3.380 3893TIP3 H117988 -3.528 3.138 -3.385 3893TIP3 H217989 -3.588 3.271 -3.343 3894TIP3 OH217990 -3.303 4.141 -3.909 3894TIP3 H117991 -3.368 4.181 -3.968 3894TIP3 H217992 -3.226 4.135 -3.968 3895TIP3 OH217993 -3.272 3.949 -4.201 3895TIP3 H117994 -3.200 3.981 -4.144 3895TIP3 H217995 -3.222 3.889 -4.260 3896TIP3 OH217996 -2.556 4.055 -3.081 3896TIP3 H117997 -2.620 4.128 -3.067 3896TIP3 H217998 -2.504 4.094 -3.155 3897TIP3 OH217999 -2.937 4.140 -3.807 3897TIP3 H118000 -3.002 4.161 -3.738 3897TIP3 H218001 -2.870 4.089 -3.757 3898TIP3 OH218002 -2.963 3.980 -2.912 3898TIP3 H118003 -2.959 4.057 -2.852 3898TIP3 H218004 -3.018 4.018 -2.983 3899TIP3 OH218005 -3.774 4.216 -3.614 3899TIP3 H118006 -3.802 4.182 -3.701 3899TIP3 H218007 -3.704 4.153 -3.589 3900TIP3 OH218008 -3.732 4.076 -3.275 3900TIP3 H118009 -3.670 4.076 -3.351 3900TIP3 H218010 -3.696 4.145 -3.217 3901TIP3 OH218011 -3.039 4.078 -4.056 3901TIP3 H118012 -2.988 4.102 -3.975 3901TIP3 H218013 -2.978 4.109 -4.126 3902TIP3 OH218014 -3.957 4.144 -2.874 3902TIP3 H118015 -3.949 4.202 -2.795 3902TIP3 H218016 -4.047 4.169 -2.904 3903TIP3 OH218017 -2.693 3.237 -4.075 3903TIP3 H118018 -2.789 3.248 -4.057 3903TIP3 H218019 -2.669 3.327 -4.102 3904TIP3 OH218020 -3.896 4.084 -3.861 3904TIP3 H118021 -3.916 4.163 -3.916 3904TIP3 H218022 -3.966 4.023 -3.888 3905TIP3 OH218023 -4.201 4.274 -2.997 3905TIP3 H118024 -4.256 4.317 -3.064 3905TIP3 H218025 -4.265 4.243 -2.931 3906TIP3 OH218026 -2.765 3.837 -2.678 3906TIP3 H118027 -2.814 3.875 -2.752 3906TIP3 H218028 -2.759 3.743 -2.705 3907TIP3 OH218029 -3.749 3.347 -3.289 3907TIP3 H118030 -3.831 3.340 -3.340 3907TIP3 H218031 -3.771 3.422 -3.231 3908TIP3 OH218032 -3.311 3.306 -2.924 3908TIP3 H118033 -3.258 3.254 -2.861 3908TIP3 H218034 -3.401 3.272 -2.911 3909TIP3 OH218035 -2.995 3.685 -2.873 3909TIP3 H118036 -3.055 3.671 -2.798 3909TIP3 H218037 -3.001 3.781 -2.889 3910TIP3 OH218038 -2.841 4.146 -4.251 3910TIP3 H118039 -2.858 4.154 -4.346 3910TIP3 H218040 -2.794 4.229 -4.233 3911TIP3 OH218041 -3.327 3.544 -4.215 3911TIP3 H118042 -3.385 3.550 -4.139 3911TIP3 H218043 -3.373 3.478 -4.268 3912TIP3 OH218044 -3.761 3.827 -3.147 3912TIP3 H118045 -3.821 3.839 -3.072 3912TIP3 H218046 -3.755 3.918 -3.185 3913TIP3 OH218047 -3.770 3.832 -3.661 3913TIP3 H118048 -3.865 3.830 -3.680 3913TIP3 H218049 -3.734 3.817 -3.751 3914TIP3 OH218050 -3.198 3.896 -3.784 3914TIP3 H118051 -3.245 3.972 -3.823 3914TIP3 H218052 -3.135 3.872 -3.855 3915TIP3 OH218053 -3.288 3.921 -2.639 3915TIP3 H118054 -3.337 3.843 -2.607 3915TIP3 H218055 -3.198 3.905 -2.602 3916TIP3 OH218056 -3.123 3.829 -3.507 3916TIP3 H118057 -3.147 3.884 -3.584 3916TIP3 H218058 -3.099 3.747 -3.554 3917TIP3 OH218059 -4.028 3.843 -2.964 3917TIP3 H118060 -3.996 3.884 -2.883 3917TIP3 H218061 -4.050 3.753 -2.935 3918TIP3 OH218062 -3.649 3.586 -4.302 3918TIP3 H118063 -3.697 3.552 -4.225 3918TIP3 H218064 -3.721 3.635 -4.348 3919TIP3 OH218065 -4.335 3.599 -3.606 3919TIP3 H118066 -4.308 3.577 -3.515 3919TIP3 H218067 -4.279 3.541 -3.660 3920TIP3 OH218068 -4.209 3.683 -4.020 3920TIP3 H118069 -4.151 3.661 -4.094 3920TIP3 H218070 -4.297 3.671 -4.057 3921TIP3 OH218071 -3.226 3.997 -3.062 3921TIP3 H118072 -3.171 3.930 -3.110 3921TIP3 H218073 -3.251 3.946 -2.983 3922TIP3 OH218074 -3.490 3.594 -3.557 3922TIP3 H118075 -3.584 3.590 -3.534 3922TIP3 H218076 -3.448 3.575 -3.471 3923TIP3 OH218077 -4.047 3.715 -3.691 3923TIP3 H118078 -4.111 3.739 -3.760 3923TIP3 H218079 -4.004 3.636 -3.730 3924TIP3 OH218080 -3.673 3.755 -3.923 3924TIP3 H118081 -3.576 3.761 -3.918 3924TIP3 H218082 -3.697 3.813 -3.997 3925TIP3 OH218083 -3.052 3.507 -3.255 3925TIP3 H118084 -3.116 3.508 -3.181 3925TIP3 H218085 -3.110 3.474 -3.326 3926TIP3 OH218086 -3.815 3.870 -4.160 3926TIP3 H118087 -3.870 3.815 -4.219 3926TIP3 H218088 -3.739 3.887 -4.217 3927TIP3 OH218089 -3.956 4.306 -2.659 3927TIP3 H118090 -3.889 4.354 -2.608 3927TIP3 H218091 -4.035 4.321 -2.602 3928TIP3 OH218092 -3.391 3.849 -3.376 3928TIP3 H118093 -3.314 3.808 -3.420 3928TIP3 H218094 -3.403 3.789 -3.299 3929TIP3 OH218095 -3.870 3.485 -3.750 3929TIP3 H118096 -3.915 3.400 -3.751 3929TIP3 H218097 -3.791 3.465 -3.802 3930TIP3 OH218098 -3.492 3.693 -3.151 3930TIP3 H118099 -3.569 3.753 -3.149 3930TIP3 H218100 -3.442 3.720 -3.072 3931TIP3 OH218101 -3.513 4.362 -3.941 3931TIP3 H118102 -3.560 4.295 -3.994 3931TIP3 H218103 -3.473 4.312 -3.870 3932TIP3 OH218104 -2.732 4.266 -3.093 3932TIP3 H118105 -2.705 4.311 -3.175 3932TIP3 H218106 -2.827 4.256 -3.113 3933TIP3 OH218107 -3.062 3.610 -4.182 3933TIP3 H118108 -3.160 3.608 -4.186 3933TIP3 H218109 -3.042 3.687 -4.125 3934TIP3 OH218110 -3.001 3.796 -3.984 3934TIP3 H118111 -2.914 3.776 -3.945 3934TIP3 H218112 -2.984 3.880 -4.030 3935TIP3 OH218113 -3.972 4.219 -3.421 3935TIP3 H118114 -3.889 4.232 -3.470 3935TIP3 H218115 -3.944 4.162 -3.347 3936TIP3 OH218116 -4.290 4.105 -2.805 3936TIP3 H118117 -4.234 4.050 -2.747 3936TIP3 H218118 -4.295 4.051 -2.887 3937TIP3 OH218119 -3.542 4.049 -2.651 3937TIP3 H118120 -3.575 4.027 -2.740 3937TIP3 H218121 -3.447 4.027 -2.661 3938TIP3 OH218122 -2.529 3.806 -3.998 3938TIP3 H118123 -2.591 3.786 -4.071 3938TIP3 H218124 -2.517 3.900 -4.017 3939TIP3 OH218125 -2.989 4.182 -3.227 3939TIP3 H118126 -3.080 4.181 -3.259 3939TIP3 H218127 -2.941 4.134 -3.296 3940TIP3 OH218128 -4.153 4.084 -4.160 3940TIP3 H118129 -4.080 4.145 -4.145 3940TIP3 H218130 -4.223 4.145 -4.186 3941TIP3 OH218131 -4.100 3.572 -2.887 3941TIP3 H118132 -4.186 3.612 -2.910 3941TIP3 H218133 -4.123 3.487 -2.846 3942TIP3 OH218134 -3.961 -4.395 -4.009 3942TIP3 H118135 -4.053 -4.361 -4.014 3942TIP3 H218136 -3.912 -4.320 -4.046 3943TIP3 OH218137 -3.211 3.549 -3.035 3943TIP3 H118138 -3.148 3.576 -2.966 3943TIP3 H218139 -3.259 3.475 -2.993 3944TIP3 OH218140 -3.150 3.503 -3.920 3944TIP3 H118141 -3.119 3.551 -3.999 3944TIP3 H218142 -3.097 3.544 -3.850 3945TIP3 OH218143 -3.406 3.696 -3.814 3945TIP3 H118144 -3.325 3.749 -3.799 3945TIP3 H218145 -3.434 3.677 -3.723 3946TIP3 OH218146 -3.367 3.791 -2.897 3946TIP3 H118147 -3.360 3.840 -2.813 3946TIP3 H218148 -3.316 3.711 -2.876 3947TIP3 OH218149 -3.342 3.396 -3.724 3947TIP3 H118150 -3.362 3.464 -3.657 3947TIP3 H218151 -3.271 3.439 -3.775 3948TIP3 OH218152 -3.772 3.496 -4.062 3948TIP3 H118153 -3.768 3.580 -4.014 3948TIP3 H218154 -3.688 3.453 -4.037 3949TIP3 OH218155 -2.741 3.584 -2.809 3949TIP3 H118156 -2.837 3.597 -2.826 3949TIP3 H218157 -2.714 3.563 -2.900 3950TIP3 OH218158 -2.888 3.967 -3.415 3950TIP3 H118159 -2.972 3.921 -3.434 3950TIP3 H218160 -2.840 3.900 -3.362 3951TIP3 OH218161 -4.097 3.823 -4.292 3951TIP3 H118162 -4.098 3.896 -4.228 3951TIP3 H218163 -4.185 3.784 -4.282 3952TIP3 OH218164 -4.028 3.296 -3.373 3952TIP3 H118165 -4.057 3.293 -3.466 3952TIP3 H218166 -4.069 3.215 -3.336 3953TIP3 OH218167 -4.199 4.346 -2.549 3953TIP3 H118168 -4.194 4.249 -2.546 3953TIP3 H218169 -4.294 4.361 -2.533 3954TIP3 OH218170 -3.588 4.329 -2.612 3954TIP3 H118171 -3.584 4.346 -2.708 3954TIP3 H218172 -3.551 4.238 -2.608 3955TIP3 OH218173 -2.985 -4.376 -2.838 3955TIP3 H118174 -2.905 -4.333 -2.872 3955TIP3 H218175 -3.052 -4.309 -2.856 3956TIP3 OH218176 -4.133 4.019 -2.585 3956TIP3 H118177 -4.052 3.967 -2.597 3956TIP3 H218178 -4.128 4.039 -2.491 3957TIP3 OH218179 -3.656 4.156 -4.082 3957TIP3 H118180 -3.730 4.122 -4.030 3957TIP3 H218181 -3.641 4.084 -4.146 3958TIP3 OH218182 -3.748 3.933 -2.854 3958TIP3 H118183 -3.805 4.010 -2.836 3958TIP3 H218184 -3.684 3.970 -2.917 3959TIP3 OH218185 -3.555 3.967 -4.278 3959TIP3 H118186 -3.549 3.942 -4.371 3959TIP3 H218187 -3.460 3.969 -4.254 3960TIP3 OH218188 -3.220 4.215 -2.500 3960TIP3 H118189 -3.131 4.197 -2.534 3960TIP3 H218190 -3.251 4.129 -2.473 3961TIP3 OH218191 -3.692 3.662 -2.741 3961TIP3 H118192 -3.683 3.597 -2.813 3961TIP3 H218193 -3.711 3.744 -2.790 3962TIP3 OH218194 -3.656 3.511 -2.996 3962TIP3 H118195 -3.604 3.562 -3.061 3962TIP3 H218196 -3.747 3.514 -3.033 3963TIP3 OH218197 -3.507 4.066 -2.966 3963TIP3 H118198 -3.423 4.054 -3.013 3963TIP3 H218199 -3.541 4.148 -3.007 3964TIP3 OH218200 -3.043 3.849 -2.478 3964TIP3 H118201 -3.021 3.755 -2.467 3964TIP3 H218202 -2.954 3.888 -2.484 3965TIP3 OH218203 -2.948 4.136 -2.644 3965TIP3 H118204 -2.971 4.208 -2.707 3965TIP3 H218205 -2.856 4.118 -2.671 3966TIP3 OH218206 -3.881 3.854 -2.565 3966TIP3 H118207 -3.931 3.771 -2.564 3966TIP3 H218208 -3.798 3.828 -2.607 3967TIP3 OH218209 -3.586 3.243 -2.961 3967TIP3 H118210 -3.602 3.338 -2.978 3967TIP3 H218211 -3.656 3.201 -3.015 3968TIP3 OH218212 -3.458 3.701 -2.583 3968TIP3 H118213 -3.492 3.681 -2.494 3968TIP3 H218214 -3.538 3.681 -2.636 3969TIP3 OH218215 -3.205 3.607 -2.696 3969TIP3 H118216 -3.293 3.611 -2.654 3969TIP3 H218217 -3.159 3.543 -2.638 3970TIP3 OH218218 -3.021 3.454 -2.524 3970TIP3 H118219 -3.036 3.359 -2.507 3970TIP3 H218220 -3.038 3.494 -2.437 3971TIP3 OH218221 -4.017 3.598 -2.580 3971TIP3 H118222 -4.016 3.524 -2.644 3971TIP3 H218223 -4.032 3.551 -2.496 3972TIP3 OH218224 -3.601 3.192 -2.680 3972TIP3 H118225 -3.542 3.115 -2.675 3972TIP3 H218226 -3.604 3.207 -2.777 3973TIP3 OH218227 -3.507 3.378 -2.494 3973TIP3 H118228 -3.536 3.319 -2.567 3973TIP3 H218229 -3.575 3.446 -2.493 3974TIP3 OH218230 -2.566 4.365 -3.891 3974TIP3 H118231 -2.472 4.364 -3.911 3974TIP3 H218232 -2.582 4.278 -3.851 3975TIP3 OH218233 -2.532 4.131 -3.733 3975TIP3 H118234 -2.608 4.087 -3.691 3975TIP3 H218235 -2.473 4.150 -3.657 3976TIP3 OH218236 -2.514 4.106 -4.106 3976TIP3 H118237 -2.576 4.139 -4.173 3976TIP3 H218238 -2.527 4.172 -4.037 3977TIP3 OH218239 -2.690 3.848 -4.212 3977TIP3 H118240 -2.663 3.920 -4.271 3977TIP3 H218241 -2.658 3.770 -4.259 3978TIP3 OH218242 -2.758 3.966 -3.658 3978TIP3 H118243 -2.760 3.870 -3.672 3978TIP3 H218244 -2.793 3.973 -3.566 3979TIP3 OH218245 -4.264 4.191 -3.274 3979TIP3 H118246 -4.226 4.188 -3.363 3979TIP3 H218247 -4.188 4.166 -3.219 3980TIP3 OH218248 -2.673 4.161 -2.734 3980TIP3 H118249 -2.600 4.100 -2.710 3980TIP3 H218250 -2.628 4.244 -2.761 3981TIP3 OH218251 -2.530 3.965 -2.619 3981TIP3 H118252 -2.610 3.912 -2.637 3981TIP3 H218253 -2.461 3.897 -2.616 3982TIP3 OH218254 -2.768 3.547 -4.323 3982TIP3 H118255 -2.708 3.502 -4.261 3982TIP3 H218256 -2.849 3.493 -4.320 3983TIP3 OH218257 -2.766 3.710 -3.836 3983TIP3 H118258 -2.740 3.615 -3.828 3983TIP3 H218259 -2.685 3.747 -3.873 3984TIP3 OH218260 -2.737 3.768 -3.289 3984TIP3 H118261 -2.639 3.779 -3.291 3984TIP3 H218262 -2.751 3.771 -3.193 3985TIP3 OH218263 -2.720 3.838 -3.005 3985TIP3 H118264 -2.806 3.876 -2.982 3985TIP3 H218265 -2.668 3.917 -3.030 3986TIP3 OH218266 -4.288 3.706 -2.654 3986TIP3 H118267 -4.199 3.669 -2.645 3986TIP3 H218268 -4.346 3.634 -2.626 3987TIP3 OH218269 -2.465 3.251 -2.478 3987TIP3 H118270 -2.422 3.184 -2.534 3987TIP3 H218271 -2.462 3.330 -2.536 3988TIP3 OH218272 -2.716 3.434 -3.831 3988TIP3 H118273 -2.701 3.397 -3.742 3988TIP3 H218274 -2.790 3.380 -3.862 3989TIP3 OH218275 -4.197 3.555 -3.324 3989TIP3 H118276 -4.160 3.466 -3.332 3989TIP3 H218277 -4.117 3.609 -3.314 3990TIP3 OH218278 -4.357 3.826 -3.264 3990TIP3 H118279 -4.312 3.765 -3.324 3990TIP3 H218280 -4.306 3.907 -3.279 3991TIP3 OH218281 -2.526 3.457 -2.653 3991TIP3 H118282 -2.614 3.500 -2.649 3991TIP3 H218283 -2.537 3.403 -2.733 3992TIP3 OH218284 -2.513 3.472 -4.176 3992TIP3 H118285 -2.485 3.401 -4.233 3992TIP3 H218286 -2.431 3.523 -4.167 3993TIP3 OH218287 -4.313 3.437 -3.873 3993TIP3 H118288 -4.386 3.436 -3.937 3993TIP3 H218289 -4.241 3.461 -3.934 3994TIP3 OH218290 -4.290 3.330 -3.056 3994TIP3 H118291 -4.358 3.319 -2.986 3994TIP3 H218292 -4.337 3.372 -3.129 3995TIP3 OH218293 -2.640 3.280 -2.854 3995TIP3 H118294 -2.720 3.301 -2.907 3995TIP3 H218295 -2.618 3.191 -2.888 3996TIP3 OH218296 -3.297 3.430 -3.409 3996TIP3 H118297 -3.366 3.362 -3.395 3996TIP3 H218298 -3.236 3.384 -3.469 3997TIP3 OH218299 -2.802 3.232 -3.363 3997TIP3 H118300 -2.726 3.276 -3.403 3997TIP3 H218301 -2.876 3.263 -3.418 3998TIP3 OH218302 -2.595 3.342 -3.578 3998TIP3 H118303 -2.522 3.300 -3.626 3998TIP3 H218304 -2.562 3.434 -3.567 3999TIP3 OH218305 -4.106 3.286 -3.649 3999TIP3 H118306 -4.176 3.271 -3.713 3999TIP3 H218307 -4.046 3.211 -3.666 4000TIP3 OH218308 -3.614 3.282 -3.665 4000TIP3 H118309 -3.523 3.314 -3.679 4000TIP3 H218310 -3.616 3.275 -3.569 4001TIP3 OH218311 -3.054 3.288 -3.524 4001TIP3 H118312 -3.030 3.274 -3.617 4001TIP3 H218313 -3.093 3.202 -3.500 4002TIP3 OH218314 -2.950 3.286 -3.919 4002TIP3 H118315 -3.028 3.334 -3.952 4002TIP3 H218316 -2.983 3.195 -3.918 4003TIP3 OH218317 -3.976 3.463 -4.267 4003TIP3 H118318 -3.991 3.368 -4.275 4003TIP3 H218319 -3.946 3.471 -4.176 4004TIP3 OH218320 -3.504 3.447 -3.959 4004TIP3 H118321 -3.464 3.394 -3.889 4004TIP3 H218322 -3.478 3.536 -3.929 4005TIP3 OH218323 -4.079 3.327 -2.703 4005TIP3 H118324 -4.124 3.251 -2.662 4005TIP3 H218325 -3.988 3.312 -2.673 4006TIP3 OH218326 -3.844 3.264 -2.527 4006TIP3 H118327 -3.762 3.229 -2.567 4006TIP3 H218328 -3.878 3.185 -2.482 4007TIP3 OH218329 -3.031 3.174 -2.510 4007TIP3 H118330 -3.026 3.133 -2.421 4007TIP3 H218331 -2.937 3.171 -2.537 4008TIP3 OH218332 -1.272 4.204 -3.647 4008TIP3 H118333 -1.304 4.295 -3.646 4008TIP3 H218334 -1.345 4.160 -3.692 4009TIP3 OH218335 -1.393 4.132 -3.317 4009TIP3 H118336 -1.390 4.080 -3.236 4009TIP3 H218337 -1.418 4.067 -3.383 4010TIP3 OH218338 -2.149 4.083 -3.156 4010TIP3 H118339 -2.151 4.007 -3.095 4010TIP3 H218340 -2.074 4.132 -3.120 4011TIP3 OH218341 -2.378 3.885 -3.762 4011TIP3 H118342 -2.422 3.972 -3.755 4011TIP3 H218343 -2.445 3.833 -3.807 4012TIP3 OH218344 -2.285 4.135 -3.578 4012TIP3 H118345 -2.285 4.055 -3.522 4012TIP3 H218346 -2.204 4.119 -3.628 4013TIP3 OH218347 -0.672 3.521 -3.198 4013TIP3 H118348 -0.651 3.585 -3.129 4013TIP3 H218349 -0.613 3.552 -3.270 4014TIP3 OH218350 -1.208 3.804 -3.212 4014TIP3 H118351 -1.198 3.708 -3.206 4014TIP3 H218352 -1.221 3.817 -3.307 4015TIP3 OH218353 -1.916 3.606 -3.504 4015TIP3 H118354 -1.899 3.690 -3.551 4015TIP3 H218355 -1.947 3.551 -3.578 4016TIP3 OH218356 -1.130 3.621 -3.676 4016TIP3 H118357 -1.074 3.576 -3.608 4016TIP3 H218358 -1.062 3.665 -3.729 4017TIP3 OH218359 -2.246 3.877 -3.453 4017TIP3 H118360 -2.182 3.831 -3.397 4017TIP3 H218361 -2.236 3.829 -3.537 4018TIP3 OH218362 -1.704 4.018 -3.506 4018TIP3 H118363 -1.636 3.960 -3.466 4018TIP3 H218364 -1.758 3.954 -3.555 4019TIP3 OH218365 -0.600 3.661 -2.950 4019TIP3 H118366 -0.658 3.732 -2.981 4019TIP3 H218367 -0.627 3.656 -2.857 4020TIP3 OH218368 -2.034 3.484 -3.088 4020TIP3 H118369 -2.075 3.533 -3.161 4020TIP3 H218370 -2.099 3.500 -3.017 4021TIP3 OH218371 -1.763 4.267 -3.111 4021TIP3 H118372 -1.844 4.320 -3.106 4021TIP3 H218373 -1.697 4.338 -3.117 4022TIP3 OH218374 -0.943 3.545 -3.470 4022TIP3 H118375 -0.988 3.488 -3.407 4022TIP3 H218376 -0.896 3.607 -3.412 4023TIP3 OH218377 -2.074 3.690 -3.295 4023TIP3 H118378 -2.008 3.745 -3.248 4023TIP3 H218379 -2.017 3.652 -3.366 4024TIP3 OH218380 -0.933 3.463 -3.085 4024TIP3 H118381 -1.010 3.501 -3.129 4024TIP3 H218382 -0.861 3.480 -3.149 4025TIP3 OH218383 -1.611 3.233 -3.368 4025TIP3 H118384 -1.637 3.143 -3.393 4025TIP3 H218385 -1.698 3.272 -3.345 4026TIP3 OH218386 -1.417 4.142 -3.909 4026TIP3 H118387 -1.483 4.179 -3.969 4026TIP3 H218388 -1.341 4.134 -3.968 4027TIP3 OH218389 -1.380 3.948 -4.206 4027TIP3 H118390 -1.307 3.976 -4.149 4027TIP3 H218391 -1.335 3.886 -4.267 4028TIP3 OH218392 -0.669 4.055 -3.081 4028TIP3 H118393 -0.734 4.127 -3.068 4028TIP3 H218394 -0.618 4.095 -3.155 4029TIP3 OH218395 -1.051 4.140 -3.807 4029TIP3 H118396 -1.117 4.161 -3.738 4029TIP3 H218397 -0.985 4.089 -3.757 4030TIP3 OH218398 -1.076 3.981 -2.912 4030TIP3 H118399 -1.075 4.058 -2.853 4030TIP3 H218400 -1.135 4.016 -2.982 4031TIP3 OH218401 -1.898 4.207 -3.611 4031TIP3 H118402 -1.918 4.179 -3.702 4031TIP3 H218403 -1.820 4.153 -3.591 4032TIP3 OH218404 -1.847 4.070 -3.271 4032TIP3 H118405 -1.787 4.073 -3.348 4032TIP3 H218406 -1.812 4.143 -3.215 4033TIP3 OH218407 -1.151 4.075 -4.056 4033TIP3 H118408 -1.102 4.101 -3.975 4033TIP3 H218409 -1.091 4.109 -4.126 4034TIP3 OH218410 -2.059 4.149 -2.886 4034TIP3 H118411 -2.047 4.212 -2.810 4034TIP3 H218412 -2.155 4.138 -2.885 4035TIP3 OH218413 -0.807 3.237 -4.075 4035TIP3 H118414 -0.903 3.245 -4.059 4035TIP3 H218415 -0.785 3.327 -4.101 4036TIP3 OH218416 -2.010 4.088 -3.860 4036TIP3 H118417 -2.029 4.166 -3.916 4036TIP3 H218418 -2.073 4.023 -3.894 4037TIP3 OH218419 -2.417 4.309 -2.982 4037TIP3 H118420 -2.412 4.292 -3.078 4037TIP3 H218421 -2.381 4.226 -2.945 4038TIP3 OH218422 -0.877 3.838 -2.679 4038TIP3 H118423 -0.931 3.875 -2.750 4038TIP3 H218424 -0.874 3.744 -2.705 4039TIP3 OH218425 -1.863 3.347 -3.286 4039TIP3 H118426 -1.941 3.343 -3.343 4039TIP3 H218427 -1.888 3.421 -3.228 4040TIP3 OH218428 -1.425 3.308 -2.924 4040TIP3 H118429 -1.373 3.255 -2.861 4040TIP3 H218430 -1.516 3.273 -2.913 4041TIP3 OH218431 -1.106 3.686 -2.870 4041TIP3 H118432 -1.170 3.670 -2.798 4041TIP3 H218433 -1.118 3.780 -2.889 4042TIP3 OH218434 -0.948 4.145 -4.252 4042TIP3 H118435 -0.992 4.166 -4.337 4042TIP3 H218436 -0.902 4.230 -4.234 4043TIP3 OH218437 -1.440 3.543 -4.216 4043TIP3 H118438 -1.497 3.555 -4.139 4043TIP3 H218439 -1.484 3.469 -4.259 4044TIP3 OH218440 -1.876 3.824 -3.146 4044TIP3 H118441 -1.935 3.838 -3.070 4044TIP3 H218442 -1.868 3.915 -3.183 4045TIP3 OH218443 -1.882 3.836 -3.661 4045TIP3 H118444 -1.977 3.825 -3.677 4045TIP3 H218445 -1.847 3.816 -3.750 4046TIP3 OH218446 -1.311 3.898 -3.784 4046TIP3 H118447 -1.360 3.972 -3.822 4046TIP3 H218448 -1.251 3.872 -3.857 4047TIP3 OH218449 -1.402 3.920 -2.639 4047TIP3 H118450 -1.452 3.843 -2.607 4047TIP3 H218451 -1.313 3.904 -2.601 4048TIP3 OH218452 -1.235 3.830 -3.507 4048TIP3 H118453 -1.262 3.885 -3.584 4048TIP3 H218454 -1.214 3.747 -3.553 4049TIP3 OH218455 -2.140 3.842 -2.968 4049TIP3 H118456 -2.113 3.877 -2.882 4049TIP3 H218457 -2.173 3.754 -2.944 4050TIP3 OH218458 -1.772 3.579 -4.314 4050TIP3 H118459 -1.806 3.560 -4.224 4050TIP3 H218460 -1.844 3.632 -4.352 4051TIP3 OH218461 -2.458 3.590 -3.601 4051TIP3 H118462 -2.396 3.588 -3.525 4051TIP3 H218463 -2.406 3.551 -3.673 4052TIP3 OH218464 -2.301 3.633 -4.040 4052TIP3 H118465 -2.243 3.682 -4.102 4052TIP3 H218466 -2.367 3.701 -4.018 4053TIP3 OH218467 -1.337 3.997 -3.060 4053TIP3 H118468 -1.285 3.929 -3.109 4053TIP3 H218469 -1.368 3.944 -2.985 4054TIP3 OH218470 -1.603 3.600 -3.558 4054TIP3 H118471 -1.697 3.583 -3.539 4054TIP3 H218472 -1.561 3.569 -3.477 4055TIP3 OH218473 -2.148 3.715 -3.690 4055TIP3 H118474 -2.229 3.740 -3.737 4055TIP3 H218475 -2.118 3.636 -3.738 4056TIP3 OH218476 -1.787 3.759 -3.920 4056TIP3 H118477 -1.690 3.759 -3.917 4056TIP3 H218478 -1.808 3.813 -3.998 4057TIP3 OH218479 -1.167 3.507 -3.257 4057TIP3 H118480 -1.231 3.508 -3.182 4057TIP3 H218481 -1.225 3.473 -3.327 4058TIP3 OH218482 -1.928 3.868 -4.158 4058TIP3 H118483 -1.992 3.822 -4.216 4058TIP3 H218484 -1.855 3.889 -4.218 4059TIP3 OH218485 -2.047 4.317 -2.678 4059TIP3 H118486 -1.990 4.363 -2.613 4059TIP3 H218487 -2.128 4.304 -2.624 4060TIP3 OH218488 -1.503 3.851 -3.373 4060TIP3 H118489 -1.433 3.805 -3.421 4060TIP3 H218490 -1.520 3.789 -3.300 4061TIP3 OH218491 -1.975 3.487 -3.766 4061TIP3 H118492 -2.026 3.408 -3.744 4061TIP3 H218493 -1.888 3.450 -3.787 4062TIP3 OH218494 -1.605 3.695 -3.151 4062TIP3 H118495 -1.684 3.752 -3.149 4062TIP3 H218496 -1.556 3.721 -3.071 4063TIP3 OH218497 -1.631 4.364 -3.939 4063TIP3 H118498 -1.674 4.296 -3.995 4063TIP3 H218499 -1.584 4.313 -3.872 4064TIP3 OH218500 -0.846 4.267 -3.093 4064TIP3 H118501 -0.820 4.311 -3.176 4064TIP3 H218502 -0.941 4.256 -3.112 4065TIP3 OH218503 -1.172 3.619 -4.208 4065TIP3 H118504 -1.268 3.602 -4.194 4065TIP3 H218505 -1.149 3.681 -4.137 4066TIP3 OH218506 -1.115 3.789 -3.991 4066TIP3 H118507 -1.029 3.774 -3.946 4066TIP3 H218508 -1.101 3.878 -4.030 4067TIP3 OH218509 -2.052 4.248 -3.392 4067TIP3 H118510 -1.991 4.239 -3.468 4067TIP3 H218511 -2.038 4.163 -3.347 4068TIP3 OH218512 -2.345 4.081 -2.855 4068TIP3 H118513 -2.334 4.043 -2.766 4068TIP3 H218514 -2.418 4.030 -2.893 4069TIP3 OH218515 -1.656 4.051 -2.653 4069TIP3 H118516 -1.689 4.027 -2.740 4069TIP3 H218517 -1.562 4.027 -2.661 4070TIP3 OH218518 -0.644 3.805 -3.999 4070TIP3 H118519 -0.707 3.787 -4.072 4070TIP3 H218520 -0.631 3.900 -4.017 4071TIP3 OH218521 -1.103 4.184 -3.228 4071TIP3 H118522 -1.195 4.181 -3.258 4071TIP3 H218523 -1.056 4.133 -3.296 4072TIP3 OH218524 -2.234 4.084 -4.196 4072TIP3 H118525 -2.179 4.154 -4.157 4072TIP3 H218526 -2.324 4.111 -4.171 4073TIP3 OH218527 -2.222 3.566 -2.889 4073TIP3 H118528 -2.312 3.589 -2.917 4073TIP3 H218529 -2.235 3.478 -2.849 4074TIP3 OH218530 -2.077 -4.393 -4.009 4074TIP3 H118531 -2.167 -4.356 -4.005 4074TIP3 H218532 -2.027 -4.318 -4.043 4075TIP3 OH218533 -1.324 3.549 -3.036 4075TIP3 H118534 -1.264 3.575 -2.964 4075TIP3 H218535 -1.374 3.475 -2.995 4076TIP3 OH218536 -1.258 3.502 -3.924 4076TIP3 H118537 -1.233 3.565 -3.993 4076TIP3 H218538 -1.217 3.543 -3.845 4077TIP3 OH218539 -1.519 3.694 -3.815 4077TIP3 H118540 -1.439 3.747 -3.796 4077TIP3 H218541 -1.550 3.672 -3.724 4078TIP3 OH218542 -1.476 3.794 -2.898 4078TIP3 H118543 -1.475 3.840 -2.813 4078TIP3 H218544 -1.433 3.710 -2.875 4079TIP3 OH218545 -1.452 3.380 -3.722 4079TIP3 H118546 -1.478 3.450 -3.660 4079TIP3 H218547 -1.386 3.423 -3.779 4080TIP3 OH218548 -1.886 3.502 -4.079 4080TIP3 H118549 -1.895 3.572 -4.012 4080TIP3 H218550 -1.812 3.451 -4.042 4081TIP3 OH218551 -0.854 3.583 -2.811 4081TIP3 H118552 -0.950 3.597 -2.823 4081TIP3 H218553 -0.831 3.562 -2.903 4082TIP3 OH218554 -1.002 3.967 -3.415 4082TIP3 H118555 -1.086 3.923 -3.434 4082TIP3 H218556 -0.955 3.899 -3.362 4083TIP3 OH218557 -2.222 3.806 -4.259 4083TIP3 H118558 -2.210 3.901 -4.241 4083TIP3 H218559 -2.314 3.805 -4.291 4084TIP3 OH218560 -2.146 3.306 -3.371 4084TIP3 H118561 -2.156 3.300 -3.468 4084TIP3 H218562 -2.175 3.218 -3.341 4085TIP3 OH218563 -2.292 4.307 -2.566 4085TIP3 H118564 -2.312 4.212 -2.560 4085TIP3 H218565 -2.375 4.348 -2.593 4086TIP3 OH218566 -1.701 4.329 -2.611 4086TIP3 H118567 -1.699 4.345 -2.708 4086TIP3 H218568 -1.667 4.238 -2.607 4087TIP3 OH218569 -1.099 -4.376 -2.838 4087TIP3 H118570 -1.020 -4.332 -2.872 4087TIP3 H218571 -1.168 -4.311 -2.857 4088TIP3 OH218572 -2.234 4.023 -2.593 4088TIP3 H118573 -2.155 3.966 -2.600 4088TIP3 H218574 -2.232 4.044 -2.498 4089TIP3 OH218575 -1.771 4.155 -4.082 4089TIP3 H118576 -1.843 4.120 -4.028 4089TIP3 H218577 -1.758 4.084 -4.147 4090TIP3 OH218578 -1.861 3.933 -2.855 4090TIP3 H118579 -1.917 4.010 -2.835 4090TIP3 H218580 -1.797 3.971 -2.918 4091TIP3 OH218581 -1.665 3.955 -4.274 4091TIP3 H118582 -1.670 3.954 -4.370 4091TIP3 H218583 -1.569 3.966 -4.259 4092TIP3 OH218584 -1.332 4.216 -2.500 4092TIP3 H118585 -1.245 4.193 -2.534 4092TIP3 H218586 -1.367 4.131 -2.471 4093TIP3 OH218587 -1.808 3.663 -2.743 4093TIP3 H118588 -1.799 3.597 -2.815 4093TIP3 H218589 -1.827 3.744 -2.793 4094TIP3 OH218590 -1.771 3.511 -2.997 4094TIP3 H118591 -1.719 3.561 -3.062 4094TIP3 H218592 -1.862 3.514 -3.034 4095TIP3 OH218593 -1.622 4.067 -2.967 4095TIP3 H118594 -1.538 4.054 -3.013 4095TIP3 H218595 -1.656 4.148 -3.007 4096TIP3 OH218596 -1.157 3.850 -2.482 4096TIP3 H118597 -1.141 3.756 -2.460 4096TIP3 H218598 -1.066 3.884 -2.483 4097TIP3 OH218599 -1.062 4.137 -2.642 4097TIP3 H118600 -1.086 4.208 -2.707 4097TIP3 H218601 -0.972 4.116 -2.673 4098TIP3 OH218602 -1.993 3.853 -2.568 4098TIP3 H118603 -2.040 3.768 -2.562 4098TIP3 H218604 -1.907 3.825 -2.602 4099TIP3 OH218605 -1.699 3.244 -2.960 4099TIP3 H118606 -1.716 3.339 -2.978 4099TIP3 H218607 -1.768 3.202 -3.016 4100TIP3 OH218608 -1.573 3.701 -2.587 4100TIP3 H118609 -1.603 3.676 -2.498 4100TIP3 H218610 -1.655 3.678 -2.637 4101TIP3 OH218611 -1.319 3.607 -2.696 4101TIP3 H118612 -1.408 3.613 -2.655 4101TIP3 H218613 -1.275 3.543 -2.637 4102TIP3 OH218614 -1.127 3.451 -2.520 4102TIP3 H118615 -1.153 3.358 -2.505 4102TIP3 H218616 -1.155 3.496 -2.438 4103TIP3 OH218617 -2.119 3.594 -2.576 4103TIP3 H118618 -2.124 3.523 -2.643 4103TIP3 H218619 -2.139 3.545 -2.494 4104TIP3 OH218620 -1.720 3.192 -2.679 4104TIP3 H118621 -1.656 3.120 -2.674 4104TIP3 H218622 -1.718 3.212 -2.774 4105TIP3 OH218623 -1.612 3.380 -2.486 4105TIP3 H118624 -1.650 3.310 -2.542 4105TIP3 H218625 -1.690 3.428 -2.457 4106TIP3 OH218626 -0.680 4.369 -3.885 4106TIP3 H118627 -0.588 4.364 -3.913 4106TIP3 H218628 -0.698 4.279 -3.853 4107TIP3 OH218629 -0.645 4.128 -3.733 4107TIP3 H118630 -0.723 4.086 -3.691 4107TIP3 H218631 -0.588 4.150 -3.657 4108TIP3 OH218632 -0.630 4.104 -4.106 4108TIP3 H118633 -0.692 4.137 -4.173 4108TIP3 H218634 -0.641 4.171 -4.038 4109TIP3 OH218635 -0.807 3.843 -4.216 4109TIP3 H118636 -0.781 3.921 -4.268 4109TIP3 H218637 -0.764 3.772 -4.265 4110TIP3 OH218638 -0.872 3.965 -3.657 4110TIP3 H118639 -0.875 3.869 -3.671 4110TIP3 H218640 -0.908 3.973 -3.566 4111TIP3 OH218641 -2.384 4.189 -3.259 4111TIP3 H118642 -2.375 4.201 -3.355 4111TIP3 H218643 -2.294 4.160 -3.234 4112TIP3 OH218644 -0.786 4.161 -2.736 4112TIP3 H118645 -0.714 4.100 -2.710 4112TIP3 H218646 -0.740 4.244 -2.760 4113TIP3 OH218647 -0.643 3.965 -2.621 4113TIP3 H118648 -0.725 3.914 -2.638 4113TIP3 H218649 -0.576 3.895 -2.616 4114TIP3 OH218650 -0.884 3.528 -4.334 4114TIP3 H118651 -0.822 3.507 -4.264 4114TIP3 H218652 -0.969 3.495 -4.302 4115TIP3 OH218653 -0.881 3.709 -3.836 4115TIP3 H118654 -0.854 3.615 -3.828 4115TIP3 H218655 -0.799 3.748 -3.873 4116TIP3 OH218656 -0.850 3.766 -3.289 4116TIP3 H118657 -0.753 3.780 -3.290 4116TIP3 H218658 -0.867 3.771 -3.193 4117TIP3 OH218659 -0.833 3.837 -3.007 4117TIP3 H118660 -0.920 3.874 -2.981 4117TIP3 H218661 -0.783 3.918 -3.030 4118TIP3 OH218662 -2.387 3.716 -2.639 4118TIP3 H118663 -2.293 3.691 -2.636 4118TIP3 H218664 -2.430 3.628 -2.632 4119TIP3 OH218665 -0.574 3.254 -2.476 4119TIP3 H118666 -0.539 3.184 -2.534 4119TIP3 H218667 -0.576 3.331 -2.536 4120TIP3 OH218668 -0.828 3.433 -3.831 4120TIP3 H118669 -0.821 3.398 -3.740 4120TIP3 H218670 -0.904 3.380 -3.865 4121TIP3 OH218671 -2.309 3.547 -3.358 4121TIP3 H118672 -2.263 3.461 -3.353 4121TIP3 H218673 -2.239 3.607 -3.325 4122TIP3 OH218674 -2.455 3.816 -3.254 4122TIP3 H118675 -2.394 3.810 -3.329 4122TIP3 H218676 -2.420 3.893 -3.208 4123TIP3 OH218677 -0.641 3.456 -2.653 4123TIP3 H118678 -0.728 3.500 -2.647 4123TIP3 H218679 -0.654 3.403 -2.733 4124TIP3 OH218680 -0.628 3.474 -4.177 4124TIP3 H118681 -0.598 3.403 -4.233 4124TIP3 H218682 -0.546 3.526 -4.166 4125TIP3 OH218683 -2.404 3.450 -3.852 4125TIP3 H118684 -2.499 3.452 -3.872 4125TIP3 H218685 -2.366 3.509 -3.920 4126TIP3 OH218686 -2.400 3.338 -3.033 4126TIP3 H118687 -2.471 3.310 -2.974 4126TIP3 H218688 -2.449 3.389 -3.100 4127TIP3 OH218689 -0.752 3.281 -2.856 4127TIP3 H118690 -0.834 3.302 -2.905 4127TIP3 H218691 -0.733 3.191 -2.889 4128TIP3 OH218692 -1.410 3.430 -3.413 4128TIP3 H118693 -1.479 3.363 -3.395 4128TIP3 H218694 -1.353 3.381 -3.475 4129TIP3 OH218695 -0.916 3.230 -3.363 4129TIP3 H118696 -0.843 3.278 -3.405 4129TIP3 H218697 -0.993 3.259 -3.415 4130TIP3 OH218698 -0.706 3.340 -3.575 4130TIP3 H118699 -0.635 3.305 -3.631 4130TIP3 H218700 -0.678 3.434 -3.565 4131TIP3 OH218701 -2.170 3.292 -3.652 4131TIP3 H118702 -2.255 3.276 -3.696 4131TIP3 H218703 -2.122 3.209 -3.671 4132TIP3 OH218704 -2.300 3.258 -4.083 4132TIP3 H118705 -2.239 3.321 -4.126 4132TIP3 H218706 -2.330 3.309 -4.006 4133TIP3 OH218707 -1.736 3.307 -3.665 4133TIP3 H118708 -1.644 3.292 -3.691 4133TIP3 H218709 -1.747 3.240 -3.597 4134TIP3 OH218710 -1.161 3.287 -3.521 4134TIP3 H118711 -1.154 3.271 -3.616 4134TIP3 H218712 -1.207 3.205 -3.491 4135TIP3 OH218713 -1.063 3.285 -3.924 4135TIP3 H118714 -1.143 3.336 -3.947 4135TIP3 H218715 -1.102 3.197 -3.911 4136TIP3 OH218716 -2.130 3.427 -4.230 4136TIP3 H118717 -2.072 3.371 -4.282 4136TIP3 H218718 -2.065 3.480 -4.180 4137TIP3 OH218719 -1.619 3.445 -3.964 4137TIP3 H118720 -1.578 3.383 -3.902 4137TIP3 H218721 -1.594 3.530 -3.924 4138TIP3 OH218722 -2.197 3.323 -2.702 4138TIP3 H118723 -2.235 3.242 -2.665 4138TIP3 H218724 -2.104 3.313 -2.674 4139TIP3 OH218725 -1.965 3.263 -2.530 4139TIP3 H118726 -1.878 3.237 -2.567 4139TIP3 H218727 -1.992 3.181 -2.487 4140TIP3 OH218728 -1.146 3.170 -2.510 4140TIP3 H118729 -1.143 3.136 -2.419 4140TIP3 H218730 -1.052 3.171 -2.534 4141TIP3 OH218731 -0.264 4.083 -3.155 4141TIP3 H118732 -0.264 4.008 -3.094 4141TIP3 H218733 -0.186 4.131 -3.125 4142TIP3 OH218734 -0.492 3.884 -3.763 4142TIP3 H118735 -0.534 3.971 -3.754 4142TIP3 H218736 -0.561 3.834 -3.807 4143TIP3 OH218737 -0.399 4.136 -3.577 4143TIP3 H118738 -0.399 4.055 -3.522 4143TIP3 H218739 -0.316 4.123 -3.626 4144TIP3 OH218740 1.216 3.518 -3.196 4144TIP3 H118741 1.235 3.586 -3.129 4144TIP3 H218742 1.270 3.552 -3.270 4145TIP3 OH218743 0.678 3.801 -3.231 4145TIP3 H118744 0.686 3.704 -3.241 4145TIP3 H218745 0.642 3.828 -3.316 4146TIP3 OH218746 -0.029 3.604 -3.505 4146TIP3 H118747 -0.013 3.691 -3.548 4146TIP3 H218748 -0.065 3.555 -3.580 4147TIP3 OH218749 0.746 3.614 -3.672 4147TIP3 H118750 0.807 3.591 -3.600 4147TIP3 H218751 0.787 3.693 -3.708 4148TIP3 OH218752 -0.362 3.877 -3.453 4148TIP3 H118753 -0.297 3.832 -3.397 4148TIP3 H218754 -0.351 3.829 -3.537 4149TIP3 OH218755 0.177 4.018 -3.495 4149TIP3 H118756 0.260 3.972 -3.471 4149TIP3 H218757 0.132 3.951 -3.550 4150TIP3 OH218758 1.285 3.661 -2.949 4150TIP3 H118759 1.228 3.733 -2.981 4150TIP3 H218760 1.259 3.658 -2.856 4151TIP3 OH218761 -0.150 3.483 -3.088 4151TIP3 H118762 -0.188 3.536 -3.160 4151TIP3 H218763 -0.215 3.500 -3.017 4152TIP3 OH218764 0.112 4.276 -3.101 4152TIP3 H118765 0.037 4.334 -3.120 4152TIP3 H218766 0.185 4.330 -3.136 4153TIP3 OH218767 0.945 3.543 -3.469 4153TIP3 H118768 0.895 3.491 -3.404 4153TIP3 H218769 0.989 3.609 -3.414 4154TIP3 OH218770 -0.188 3.688 -3.294 4154TIP3 H118771 -0.123 3.746 -3.248 4154TIP3 H218772 -0.130 3.653 -3.366 4155TIP3 OH218773 0.953 3.461 -3.085 4155TIP3 H118774 0.876 3.502 -3.129 4155TIP3 H218775 1.025 3.481 -3.148 4156TIP3 OH218776 0.266 3.233 -3.381 4156TIP3 H118777 0.242 3.139 -3.385 4156TIP3 H218778 0.184 3.272 -3.343 4157TIP3 OH218779 0.466 4.123 -3.910 4157TIP3 H118780 0.412 4.194 -3.947 4157TIP3 H218781 0.551 4.136 -3.953 4158TIP3 OH218782 0.499 3.952 -4.209 4158TIP3 H118783 0.562 3.981 -4.140 4158TIP3 H218784 0.556 3.890 -4.260 4159TIP3 OH218785 1.217 4.056 -3.081 4159TIP3 H118786 1.150 4.127 -3.068 4159TIP3 H218787 1.266 4.096 -3.156 4160TIP3 OH218788 0.807 4.151 -3.793 4160TIP3 H118789 0.742 4.162 -3.720 4160TIP3 H218790 0.874 4.098 -3.747 4161TIP3 OH218791 0.803 3.982 -2.915 4161TIP3 H118792 0.807 4.062 -2.861 4161TIP3 H218793 0.750 4.017 -2.990 4162TIP3 OH218794 -0.024 4.198 -3.609 4162TIP3 H118795 -0.032 4.179 -3.704 4162TIP3 H218796 0.064 4.159 -3.589 4163TIP3 OH218797 0.038 4.073 -3.264 4163TIP3 H118798 0.096 4.070 -3.343 4163TIP3 H218799 0.076 4.145 -3.211 4164TIP3 OH218800 0.739 4.070 -4.053 4164TIP3 H118801 0.778 4.106 -3.970 4164TIP3 H218802 0.799 4.108 -4.121 4165TIP3 OH218803 -0.173 4.145 -2.882 4165TIP3 H118804 -0.161 4.210 -2.809 4165TIP3 H218805 -0.270 4.139 -2.885 4166TIP3 OH218806 1.078 3.236 -4.076 4166TIP3 H118807 0.983 3.247 -4.056 4166TIP3 H218808 1.101 3.326 -4.103 4167TIP3 OH218809 -0.124 4.084 -3.864 4167TIP3 H118810 -0.142 4.165 -3.918 4167TIP3 H218811 -0.191 4.024 -3.896 4168TIP3 OH218812 -0.528 4.310 -2.982 4168TIP3 H118813 -0.527 4.292 -3.077 4168TIP3 H218814 -0.495 4.226 -2.945 4169TIP3 OH218815 1.004 3.837 -2.677 4169TIP3 H118816 0.958 3.877 -2.753 4169TIP3 H218817 1.012 3.744 -2.708 4170TIP3 OH218818 0.024 3.346 -3.288 4170TIP3 H118819 -0.059 3.342 -3.339 4170TIP3 H218820 0.005 3.423 -3.232 4171TIP3 OH218821 0.461 3.306 -2.923 4171TIP3 H118822 0.513 3.252 -2.861 4171TIP3 H218823 0.370 3.273 -2.912 4172TIP3 OH218824 0.780 3.685 -2.869 4172TIP3 H118825 0.714 3.671 -2.799 4172TIP3 H218826 0.768 3.780 -2.893 4173TIP3 OH218827 0.936 4.145 -4.254 4173TIP3 H118828 0.914 4.157 -4.347 4173TIP3 H218829 0.979 4.230 -4.233 4174TIP3 OH218830 0.443 3.544 -4.217 4174TIP3 H118831 0.386 3.555 -4.139 4174TIP3 H218832 0.397 3.474 -4.264 4175TIP3 OH218833 0.008 3.825 -3.146 4175TIP3 H118834 -0.052 3.840 -3.071 4175TIP3 H218835 0.020 3.915 -3.182 4176TIP3 OH218836 0.004 3.830 -3.660 4176TIP3 H118837 -0.092 3.826 -3.678 4176TIP3 H218838 0.040 3.818 -3.749 4177TIP3 OH218839 0.570 3.871 -3.786 4177TIP3 H118840 0.541 3.963 -3.778 4177TIP3 H218841 0.635 3.876 -3.859 4178TIP3 OH218842 0.484 3.923 -2.633 4178TIP3 H118843 0.433 3.844 -2.608 4178TIP3 H218844 0.573 3.902 -2.600 4179TIP3 OH218845 -0.251 3.841 -2.969 4179TIP3 H118846 -0.231 3.880 -2.883 4179TIP3 H218847 -0.288 3.754 -2.944 4180TIP3 OH218848 0.115 3.576 -4.316 4180TIP3 H118849 0.082 3.559 -4.226 4180TIP3 H218850 0.044 3.634 -4.350 4181TIP3 OH218851 -0.572 3.588 -3.601 4181TIP3 H118852 -0.512 3.589 -3.525 4181TIP3 H218853 -0.518 3.552 -3.672 4182TIP3 OH218854 -0.416 3.633 -4.040 4182TIP3 H118855 -0.358 3.682 -4.101 4182TIP3 H218856 -0.482 3.701 -4.018 4183TIP3 OH218857 0.546 4.005 -3.058 4183TIP3 H118858 0.592 3.955 -3.128 4183TIP3 H218859 0.528 3.938 -2.992 4184TIP3 OH218860 0.278 3.586 -3.555 4184TIP3 H118861 0.184 3.592 -3.531 4184TIP3 H218862 0.320 3.580 -3.467 4185TIP3 OH218863 -0.266 3.713 -3.687 4185TIP3 H118864 -0.344 3.743 -3.736 4185TIP3 H218865 -0.234 3.638 -3.740 4186TIP3 OH218866 0.099 3.751 -3.926 4186TIP3 H118867 0.196 3.761 -3.916 4186TIP3 H218868 0.077 3.814 -3.997 4187TIP3 OH218869 0.719 3.507 -3.256 4187TIP3 H118870 0.656 3.511 -3.182 4187TIP3 H218871 0.660 3.472 -3.326 4188TIP3 OH218872 -0.044 3.866 -4.157 4188TIP3 H118873 -0.104 3.818 -4.217 4188TIP3 H218874 0.029 3.892 -4.215 4189TIP3 OH218875 -0.162 4.317 -2.678 4189TIP3 H118876 -0.105 4.365 -2.615 4189TIP3 H218877 -0.242 4.305 -2.624 4190TIP3 OH218878 0.383 3.835 -3.378 4190TIP3 H118879 0.452 3.799 -3.434 4190TIP3 H218880 0.385 3.779 -3.299 4191TIP3 OH218881 -0.088 3.490 -3.763 4191TIP3 H118882 -0.140 3.411 -3.747 4191TIP3 H218883 -0.004 3.454 -3.795 4192TIP3 OH218884 0.276 3.687 -3.148 4192TIP3 H118885 0.205 3.752 -3.156 4192TIP3 H218886 0.328 3.721 -3.072 4193TIP3 OH218887 0.282 4.349 -3.955 4193TIP3 H118888 0.217 4.288 -3.996 4193TIP3 H218889 0.278 4.327 -3.861 4194TIP3 OH218890 1.040 4.266 -3.094 4194TIP3 H118891 1.061 4.312 -3.177 4194TIP3 H218892 0.945 4.252 -3.111 4195TIP3 OH218893 0.709 3.608 -4.186 4195TIP3 H118894 0.611 3.607 -4.184 4195TIP3 H218895 0.733 3.683 -4.127 4196TIP3 OH218896 0.775 3.792 -3.994 4196TIP3 H118897 0.859 3.779 -3.945 4196TIP3 H218898 0.784 3.883 -4.027 4197TIP3 OH218899 -0.165 4.251 -3.386 4197TIP3 H118900 -0.109 4.238 -3.467 4197TIP3 H218901 -0.153 4.164 -3.344 4198TIP3 OH218902 -0.460 4.080 -2.856 4198TIP3 H118903 -0.451 4.043 -2.766 4198TIP3 H218904 -0.534 4.031 -2.894 4199TIP3 OH218905 0.229 4.048 -2.650 4199TIP3 H118906 0.194 4.029 -2.739 4199TIP3 H218907 0.324 4.029 -2.662 4200TIP3 OH218908 1.244 3.803 -4.000 4200TIP3 H118909 1.178 3.786 -4.070 4200TIP3 H218910 1.254 3.899 -4.015 4201TIP3 OH218911 0.779 4.162 -3.221 4201TIP3 H118912 0.692 4.175 -3.263 4201TIP3 H218913 0.829 4.137 -3.300 4202TIP3 OH218914 -0.348 4.084 -4.195 4202TIP3 H118915 -0.293 4.154 -4.156 4202TIP3 H218916 -0.438 4.112 -4.172 4203TIP3 OH218917 -0.337 3.565 -2.887 4203TIP3 H118918 -0.427 3.591 -2.915 4203TIP3 H218919 -0.352 3.477 -2.849 4204TIP3 OH218920 -0.192 -4.395 -4.010 4204TIP3 H118921 -0.281 -4.355 -4.002 4204TIP3 H218922 -0.141 -4.319 -4.040 4205TIP3 OH218923 0.560 3.551 -3.035 4205TIP3 H118924 0.624 3.575 -2.967 4205TIP3 H218925 0.511 3.477 -2.995 4206TIP3 OH218926 0.633 3.505 -3.910 4206TIP3 H118927 0.657 3.560 -3.986 4206TIP3 H218928 0.672 3.555 -3.836 4207TIP3 OH218929 0.365 3.689 -3.816 4207TIP3 H118930 0.443 3.749 -3.805 4207TIP3 H218931 0.338 3.678 -3.723 4208TIP3 OH218932 0.398 3.787 -2.895 4208TIP3 H118933 0.412 3.845 -2.819 4208TIP3 H218934 0.457 3.713 -2.878 4209TIP3 OH218935 0.430 3.396 -3.724 4209TIP3 H118936 0.407 3.466 -3.659 4209TIP3 H218937 0.503 3.439 -3.772 4210TIP3 OH218938 -0.000 3.502 -4.078 4210TIP3 H118939 -0.006 3.576 -4.016 4210TIP3 H218940 0.076 3.453 -4.042 4211TIP3 OH218941 1.030 3.583 -2.810 4211TIP3 H118942 0.935 3.600 -2.827 4211TIP3 H218943 1.057 3.562 -2.901 4212TIP3 OH218944 0.887 3.950 -3.433 4212TIP3 H118945 0.790 3.947 -3.437 4212TIP3 H218946 0.910 3.882 -3.367 4213TIP3 OH218947 -0.342 3.807 -4.257 4213TIP3 H118948 -0.327 3.902 -4.240 4213TIP3 H218949 -0.433 3.808 -4.289 4214TIP3 OH218950 -0.253 3.303 -3.371 4214TIP3 H118951 -0.273 3.303 -3.467 4214TIP3 H218952 -0.290 3.218 -3.341 4215TIP3 OH218953 -0.405 4.307 -2.566 4215TIP3 H118954 -0.427 4.212 -2.562 4215TIP3 H218955 -0.488 4.350 -2.591 4216TIP3 OH218956 0.183 4.328 -2.609 4216TIP3 H118957 0.186 4.350 -2.705 4216TIP3 H218958 0.219 4.238 -2.609 4217TIP3 OH218959 0.787 -4.376 -2.835 4217TIP3 H118960 0.864 -4.332 -2.872 4217TIP3 H218961 0.716 -4.315 -2.860 4218TIP3 OH218962 -0.349 4.024 -2.593 4218TIP3 H118963 -0.271 3.966 -2.599 4218TIP3 H218964 -0.348 4.045 -2.497 4219TIP3 OH218965 0.105 4.159 -4.089 4219TIP3 H118966 0.043 4.119 -4.026 4219TIP3 H218967 0.132 4.084 -4.143 4220TIP3 OH218968 0.025 3.934 -2.851 4220TIP3 H118969 -0.033 4.011 -2.838 4220TIP3 H218970 0.087 3.967 -2.918 4221TIP3 OH218971 0.219 3.956 -4.270 4221TIP3 H118972 0.220 3.949 -4.366 4221TIP3 H218973 0.315 3.965 -4.251 4222TIP3 OH218974 0.556 4.216 -2.494 4222TIP3 H118975 0.639 4.196 -2.538 4222TIP3 H218976 0.517 4.129 -2.479 4223TIP3 OH218977 0.083 3.664 -2.741 4223TIP3 H118978 0.088 3.598 -2.813 4223TIP3 H218979 0.063 3.745 -2.791 4224TIP3 OH218980 0.114 3.508 -2.997 4224TIP3 H118981 0.167 3.564 -3.059 4224TIP3 H218982 0.023 3.515 -3.033 4225TIP3 OH218983 0.268 4.067 -2.966 4225TIP3 H118984 0.352 4.056 -3.015 4225TIP3 H218985 0.233 4.149 -3.005 4226TIP3 OH218986 0.731 3.837 -2.466 4226TIP3 H118987 0.761 3.749 -2.491 4226TIP3 H218988 0.813 3.889 -2.478 4227TIP3 OH218989 0.820 4.136 -2.638 4227TIP3 H118990 0.798 4.207 -2.703 4227TIP3 H218991 0.911 4.116 -2.667 4228TIP3 OH218992 -0.102 3.849 -2.559 4228TIP3 H118993 -0.153 3.766 -2.563 4228TIP3 H218994 -0.022 3.826 -2.609 4229TIP3 OH218995 0.186 3.243 -2.960 4229TIP3 H118996 0.170 3.338 -2.977 4229TIP3 H218997 0.117 3.202 -3.015 4230TIP3 OH218998 0.315 3.697 -2.580 4230TIP3 H118999 0.270 3.682 -2.495 4230TIP3 H219000 0.239 3.682 -2.640 4231TIP3 OH219001 0.570 3.607 -2.693 4231TIP3 H119002 0.479 3.612 -2.659 4231TIP3 H219003 0.611 3.544 -2.631 4232TIP3 OH219004 0.751 3.465 -2.492 4232TIP3 H119005 0.735 3.369 -2.499 4232TIP3 H219006 0.710 3.486 -2.407 4233TIP3 OH219007 -0.230 3.594 -2.578 4233TIP3 H119008 -0.240 3.525 -2.646 4233TIP3 H219009 -0.255 3.546 -2.497 4234TIP3 OH219010 0.171 3.191 -2.678 4234TIP3 H119011 0.233 3.116 -2.676 4234TIP3 H219012 0.166 3.208 -2.774 4235TIP3 OH219013 0.266 3.379 -2.490 4235TIP3 H119014 0.237 3.321 -2.563 4235TIP3 H219015 0.198 3.448 -2.490 4236TIP3 OH219016 1.210 4.368 -3.887 4236TIP3 H119017 1.303 4.357 -3.911 4236TIP3 H219018 1.185 4.280 -3.853 4237TIP3 OH219019 1.242 4.128 -3.733 4237TIP3 H119020 1.161 4.087 -3.695 4237TIP3 H219021 1.293 4.153 -3.654 4238TIP3 OH219022 1.260 4.109 -4.108 4238TIP3 H119023 1.194 4.138 -4.173 4238TIP3 H219024 1.241 4.169 -4.036 4239TIP3 OH219025 1.084 3.848 -4.212 4239TIP3 H119026 1.107 3.921 -4.272 4239TIP3 H219027 1.114 3.771 -4.260 4240TIP3 OH219028 1.021 3.967 -3.663 4240TIP3 H119029 1.008 3.872 -3.679 4240TIP3 H219030 0.976 3.975 -3.575 4241TIP3 OH219031 -0.499 4.189 -3.260 4241TIP3 H119032 -0.490 4.202 -3.355 4241TIP3 H219033 -0.409 4.160 -3.234 4242TIP3 OH219034 1.101 4.159 -2.744 4242TIP3 H119035 1.173 4.102 -2.709 4242TIP3 H219036 1.142 4.245 -2.760 4243TIP3 OH219037 1.240 3.967 -2.616 4243TIP3 H119038 1.160 3.914 -2.637 4243TIP3 H219039 1.309 3.898 -2.615 4244TIP3 OH219040 1.005 3.543 -4.325 4244TIP3 H119041 1.060 3.506 -4.256 4244TIP3 H219042 0.922 3.493 -4.318 4245TIP3 OH219043 1.007 3.712 -3.835 4245TIP3 H119044 1.029 3.617 -3.826 4245TIP3 H219045 1.089 3.747 -3.872 4246TIP3 OH219046 1.034 3.756 -3.287 4246TIP3 H119047 1.128 3.780 -3.293 4246TIP3 H219048 1.016 3.772 -3.193 4247TIP3 OH219049 1.051 3.840 -3.001 4247TIP3 H119050 0.962 3.877 -2.983 4247TIP3 H219051 1.100 3.919 -3.029 4248TIP3 OH219052 -0.501 3.717 -2.636 4248TIP3 H119053 -0.407 3.689 -2.638 4248TIP3 H219054 -0.546 3.631 -2.632 4249TIP3 OH219055 1.306 3.253 -2.478 4249TIP3 H119056 1.349 3.183 -2.531 4249TIP3 H219057 1.310 3.330 -2.537 4250TIP3 OH219058 1.060 3.430 -3.831 4250TIP3 H119059 1.063 3.400 -3.739 4250TIP3 H219060 0.982 3.382 -3.864 4251TIP3 OH219061 -0.422 3.547 -3.360 4251TIP3 H119062 -0.376 3.462 -3.351 4251TIP3 H219063 -0.355 3.609 -3.326 4252TIP3 OH219064 -0.568 3.814 -3.253 4252TIP3 H119065 -0.509 3.812 -3.330 4252TIP3 H219066 -0.536 3.893 -3.207 4253TIP3 OH219067 1.245 3.458 -2.653 4253TIP3 H119068 1.157 3.500 -2.650 4253TIP3 H219069 1.234 3.402 -2.733 4254TIP3 OH219070 1.260 3.470 -4.173 4254TIP3 H119071 1.284 3.403 -4.237 4254TIP3 H219072 1.341 3.524 -4.169 4255TIP3 OH219073 -0.518 3.444 -3.856 4255TIP3 H119074 -0.614 3.451 -3.871 4255TIP3 H219075 -0.481 3.509 -3.920 4256TIP3 OH219076 -0.515 3.335 -3.035 4256TIP3 H119077 -0.586 3.311 -2.974 4256TIP3 H219078 -0.564 3.390 -3.100 4257TIP3 OH219079 1.131 3.280 -2.853 4257TIP3 H119080 1.053 3.302 -2.907 4257TIP3 H219081 1.153 3.191 -2.888 4258TIP3 OH219082 0.478 3.427 -3.402 4258TIP3 H119083 0.405 3.362 -3.396 4258TIP3 H219084 0.534 3.388 -3.471 4259TIP3 OH219085 0.970 3.230 -3.364 4259TIP3 H119086 1.045 3.278 -3.403 4259TIP3 H219087 0.894 3.263 -3.416 4260TIP3 OH219088 1.181 3.339 -3.572 4260TIP3 H119089 1.250 3.304 -3.630 4260TIP3 H219090 1.206 3.433 -3.565 4261TIP3 OH219091 -0.290 3.301 -3.651 4261TIP3 H119092 -0.375 3.289 -3.698 4261TIP3 H219093 -0.247 3.216 -3.669 4262TIP3 OH219094 -0.415 3.256 -4.083 4262TIP3 H119095 -0.354 3.320 -4.127 4262TIP3 H219096 -0.446 3.310 -4.008 4263TIP3 OH219097 0.157 3.279 -3.665 4263TIP3 H119098 0.245 3.318 -3.681 4263TIP3 H219099 0.155 3.276 -3.569 4264TIP3 OH219100 0.721 3.286 -3.522 4264TIP3 H119101 0.740 3.278 -3.616 4264TIP3 H219102 0.678 3.201 -3.502 4265TIP3 OH219103 0.825 3.284 -3.922 4265TIP3 H119104 0.748 3.340 -3.942 4265TIP3 H219105 0.785 3.195 -3.922 4266TIP3 OH219106 -0.244 3.424 -4.228 4266TIP3 H119107 -0.183 3.374 -4.285 4266TIP3 H219108 -0.181 3.481 -4.180 4267TIP3 OH219109 0.268 3.444 -3.958 4267TIP3 H119110 0.312 3.395 -3.887 4267TIP3 H219111 0.291 3.534 -3.931 4268TIP3 OH219112 -0.311 3.324 -2.701 4268TIP3 H119113 -0.351 3.243 -2.665 4268TIP3 H219114 -0.219 3.313 -2.674 4269TIP3 OH219115 -0.071 3.265 -2.524 4269TIP3 H119116 0.011 3.230 -2.566 4269TIP3 H219117 -0.108 3.184 -2.486 4270TIP3 OH219118 0.741 3.185 -2.508 4270TIP3 H119119 0.744 3.137 -2.423 4270TIP3 H219120 0.834 3.179 -2.537 4271TIP3 OH219121 2.499 4.204 -3.647 4271TIP3 H119122 2.467 4.295 -3.645 4271TIP3 H219123 2.425 4.160 -3.692 4272TIP3 OH219124 2.380 4.132 -3.318 4272TIP3 H119125 2.382 4.080 -3.236 4272TIP3 H219126 2.353 4.067 -3.384 4273TIP3 OH219127 1.624 4.082 -3.158 4273TIP3 H119128 1.621 4.007 -3.095 4273TIP3 H219129 1.696 4.134 -3.121 4274TIP3 OH219130 1.395 3.887 -3.763 4274TIP3 H119131 1.348 3.972 -3.753 4274TIP3 H219132 1.327 3.832 -3.803 4275TIP3 OH219133 1.492 4.138 -3.574 4275TIP3 H119134 1.487 4.056 -3.521 4275TIP3 H219135 1.566 4.116 -3.631 4276TIP3 OH219136 3.089 3.527 -3.201 4276TIP3 H119137 3.119 3.583 -3.127 4276TIP3 H219138 3.163 3.541 -3.263 4277TIP3 OH219139 2.561 3.804 -3.211 4277TIP3 H119140 2.575 3.708 -3.207 4277TIP3 H219141 2.551 3.818 -3.307 4278TIP3 OH219142 1.859 3.605 -3.505 4278TIP3 H119143 1.871 3.691 -3.550 4278TIP3 H219144 1.821 3.553 -3.579 4279TIP3 OH219145 2.641 3.621 -3.675 4279TIP3 H119146 2.698 3.577 -3.608 4279TIP3 H219147 2.708 3.665 -3.729 4280TIP3 OH219148 1.526 3.879 -3.454 4280TIP3 H119149 1.587 3.830 -3.397 4280TIP3 H219150 1.533 3.829 -3.537 4281TIP3 OH219151 2.068 4.019 -3.507 4281TIP3 H119152 2.135 3.960 -3.466 4281TIP3 H219153 2.013 3.954 -3.555 4282TIP3 OH219154 3.172 3.662 -2.949 4282TIP3 H119155 3.111 3.732 -2.980 4282TIP3 H219156 3.144 3.654 -2.857 4283TIP3 OH219157 1.737 3.484 -3.088 4283TIP3 H119158 1.697 3.535 -3.160 4283TIP3 H219159 1.672 3.499 -3.017 4284TIP3 OH219160 2.008 4.267 -3.111 4284TIP3 H119161 1.927 4.320 -3.108 4284TIP3 H219162 2.073 4.339 -3.117 4285TIP3 OH219163 2.826 3.546 -3.470 4285TIP3 H119164 2.787 3.487 -3.404 4285TIP3 H219165 2.879 3.606 -3.414 4286TIP3 OH219166 1.698 3.688 -3.294 4286TIP3 H119167 1.762 3.746 -3.248 4286TIP3 H219168 1.756 3.652 -3.365 4287TIP3 OH219169 2.837 3.461 -3.084 4287TIP3 H119170 2.760 3.500 -3.130 4287TIP3 H219171 2.910 3.482 -3.146 4288TIP3 OH219172 2.152 3.234 -3.381 4288TIP3 H119173 2.129 3.139 -3.385 4288TIP3 H219174 2.069 3.272 -3.343 4289TIP3 OH219175 2.354 4.140 -3.909 4289TIP3 H119176 2.289 4.183 -3.966 4289TIP3 H219177 2.430 4.135 -3.968 4290TIP3 OH219178 2.386 3.951 -4.203 4290TIP3 H119179 2.457 3.981 -4.144 4290TIP3 H219180 2.437 3.890 -4.261 4291TIP3 OH219181 3.103 4.057 -3.079 4291TIP3 H119182 3.036 4.128 -3.068 4291TIP3 H219183 3.152 4.094 -3.155 4292TIP3 OH219184 2.720 4.141 -3.807 4292TIP3 H119185 2.654 4.161 -3.738 4292TIP3 H219186 2.786 4.089 -3.757 4293TIP3 OH219187 2.694 3.982 -2.912 4293TIP3 H119188 2.696 4.061 -2.856 4293TIP3 H219189 2.636 4.015 -2.983 4294TIP3 OH219190 1.872 4.205 -3.611 4294TIP3 H119191 1.852 4.179 -3.702 4294TIP3 H219192 1.951 4.153 -3.592 4295TIP3 OH219193 1.929 4.066 -3.269 4295TIP3 H119194 1.985 4.074 -3.349 4295TIP3 H219195 1.959 4.142 -3.215 4296TIP3 OH219196 2.618 4.078 -4.056 4296TIP3 H119197 2.669 4.102 -3.975 4296TIP3 H219198 2.679 4.109 -4.126 4297TIP3 OH219199 1.713 4.147 -2.884 4297TIP3 H119200 1.724 4.210 -2.809 4297TIP3 H219201 1.616 4.139 -2.886 4298TIP3 OH219202 2.964 3.241 -4.081 4298TIP3 H119203 2.871 3.250 -4.056 4298TIP3 H219204 2.988 3.333 -4.100 4299TIP3 OH219205 1.763 4.087 -3.861 4299TIP3 H119206 1.742 4.166 -3.916 4299TIP3 H219207 1.697 4.024 -3.892 4300TIP3 OH219208 1.361 4.310 -2.981 4300TIP3 H119209 1.357 4.292 -3.076 4300TIP3 H219210 1.391 4.223 -2.946 4301TIP3 OH219211 2.893 3.839 -2.678 4301TIP3 H119212 2.842 3.875 -2.752 4301TIP3 H219213 2.898 3.744 -2.704 4302TIP3 OH219214 1.910 3.348 -3.289 4302TIP3 H119215 1.827 3.342 -3.340 4302TIP3 H219216 1.887 3.422 -3.230 4303TIP3 OH219217 2.346 3.306 -2.924 4303TIP3 H119218 2.399 3.253 -2.861 4303TIP3 H219219 2.256 3.272 -2.912 4304TIP3 OH219220 2.664 3.686 -2.871 4304TIP3 H119221 2.601 3.670 -2.798 4304TIP3 H219222 2.653 3.781 -2.889 4305TIP3 OH219223 2.816 4.146 -4.251 4305TIP3 H119224 2.799 4.153 -4.346 4305TIP3 H219225 2.863 4.230 -4.233 4306TIP3 OH219226 2.329 3.545 -4.216 4306TIP3 H119227 2.273 3.551 -4.138 4306TIP3 H219228 2.284 3.476 -4.266 4307TIP3 OH219229 1.896 3.824 -3.144 4307TIP3 H119230 1.833 3.838 -3.071 4307TIP3 H219231 1.904 3.914 -3.182 4308TIP3 OH219232 1.889 3.835 -3.661 4308TIP3 H119233 1.793 3.826 -3.677 4308TIP3 H219234 1.923 3.816 -3.751 4309TIP3 OH219235 2.459 3.897 -3.784 4309TIP3 H119236 2.412 3.972 -3.823 4309TIP3 H219237 2.521 3.872 -3.855 4310TIP3 OH219238 2.370 3.922 -2.637 4310TIP3 H119239 2.319 3.844 -2.607 4310TIP3 H219240 2.459 3.903 -2.601 4311TIP3 OH219241 2.534 3.829 -3.507 4311TIP3 H119242 2.509 3.884 -3.583 4311TIP3 H219243 2.559 3.747 -3.554 4312TIP3 OH219244 1.637 3.840 -2.969 4312TIP3 H119245 1.653 3.879 -2.882 4312TIP3 H219246 1.598 3.754 -2.945 4313TIP3 OH219247 2.004 3.580 -4.314 4313TIP3 H119248 1.968 3.558 -4.226 4313TIP3 H219249 1.931 3.635 -4.349 4314TIP3 OH219250 1.316 3.593 -3.602 4314TIP3 H119251 1.376 3.586 -3.525 4314TIP3 H219252 1.365 3.550 -3.673 4315TIP3 OH219253 1.472 3.634 -4.038 4315TIP3 H119254 1.527 3.684 -4.102 4315TIP3 H219255 1.403 3.700 -4.018 4316TIP3 OH219256 2.434 3.997 -3.060 4316TIP3 H119257 2.486 3.930 -3.110 4316TIP3 H219258 2.403 3.944 -2.985 4317TIP3 OH219259 2.167 3.593 -3.557 4317TIP3 H119260 2.072 3.591 -3.535 4317TIP3 H219261 2.207 3.575 -3.471 4318TIP3 OH219262 1.624 3.715 -3.690 4318TIP3 H119263 1.541 3.743 -3.734 4318TIP3 H219264 1.651 3.637 -3.741 4319TIP3 OH219265 1.985 3.755 -3.923 4319TIP3 H119266 2.082 3.762 -3.918 4319TIP3 H219267 1.960 3.812 -3.998 4320TIP3 OH219268 2.604 3.507 -3.255 4320TIP3 H119269 2.540 3.509 -3.181 4320TIP3 H219270 2.547 3.474 -3.326 4321TIP3 OH219271 1.844 3.867 -4.156 4321TIP3 H119272 1.781 3.820 -4.214 4321TIP3 H219273 1.916 3.890 -4.217 4322TIP3 OH219274 1.724 4.316 -2.677 4322TIP3 H119275 1.779 4.365 -2.613 4322TIP3 H219276 1.643 4.304 -2.624 4323TIP3 OH219277 2.267 3.850 -3.375 4323TIP3 H119278 2.342 3.807 -3.420 4323TIP3 H219279 2.253 3.790 -3.299 4324TIP3 OH219280 1.800 3.489 -3.763 4324TIP3 H119281 1.743 3.412 -3.747 4324TIP3 H219282 1.882 3.450 -3.795 4325TIP3 OH219283 2.165 3.695 -3.151 4325TIP3 H119284 2.087 3.752 -3.149 4325TIP3 H219285 2.214 3.721 -3.071 4326TIP3 OH219286 2.148 4.360 -3.946 4326TIP3 H119287 2.095 4.294 -3.995 4326TIP3 H219288 2.178 4.314 -3.867 4327TIP3 OH219289 2.926 4.267 -3.093 4327TIP3 H119290 2.950 4.312 -3.176 4327TIP3 H219291 2.831 4.255 -3.111 4328TIP3 OH219292 2.594 3.611 -4.185 4328TIP3 H119293 2.496 3.608 -4.186 4328TIP3 H219294 2.616 3.685 -4.126 4329TIP3 OH219295 2.655 3.795 -3.985 4329TIP3 H119296 2.742 3.775 -3.945 4329TIP3 H219297 2.673 3.879 -4.030 4330TIP3 OH219298 1.726 4.253 -3.387 4330TIP3 H119299 1.781 4.240 -3.467 4330TIP3 H219300 1.728 4.164 -3.349 4331TIP3 OH219301 1.428 4.078 -2.857 4331TIP3 H119302 1.434 4.042 -2.766 4331TIP3 H219303 1.350 4.032 -2.894 4332TIP3 OH219304 2.115 4.051 -2.651 4332TIP3 H119305 2.079 4.027 -2.739 4332TIP3 H219306 2.209 4.027 -2.662 4333TIP3 OH219307 3.128 3.806 -3.997 4333TIP3 H119308 3.067 3.784 -4.070 4333TIP3 H219309 3.139 3.901 -4.018 4334TIP3 OH219310 2.668 4.183 -3.227 4334TIP3 H119311 2.576 4.181 -3.258 4334TIP3 H219312 2.715 4.133 -3.296 4335TIP3 OH219313 1.537 4.085 -4.197 4335TIP3 H119314 1.589 4.155 -4.156 4335TIP3 H219315 1.446 4.109 -4.171 4336TIP3 OH219316 1.549 3.566 -2.888 4336TIP3 H119317 1.459 3.590 -2.916 4336TIP3 H219318 1.534 3.477 -2.850 4337TIP3 OH219319 1.696 -4.394 -4.009 4337TIP3 H119320 1.605 -4.358 -4.004 4337TIP3 H219321 1.743 -4.316 -4.041 4338TIP3 OH219322 2.446 3.549 -3.035 4338TIP3 H119323 2.508 3.575 -2.965 4338TIP3 H219324 2.398 3.475 -2.994 4339TIP3 OH219325 2.507 3.503 -3.921 4339TIP3 H119326 2.538 3.552 -3.999 4339TIP3 H219327 2.559 3.543 -3.850 4340TIP3 OH219328 2.252 3.696 -3.815 4340TIP3 H119329 2.332 3.749 -3.798 4340TIP3 H219330 2.222 3.677 -3.724 4341TIP3 OH219331 2.293 3.792 -2.898 4341TIP3 H119332 2.296 3.840 -2.814 4341TIP3 H219333 2.340 3.710 -2.876 4342TIP3 OH219334 2.314 3.395 -3.725 4342TIP3 H119335 2.294 3.463 -3.657 4342TIP3 H219336 2.386 3.439 -3.775 4343TIP3 OH219337 1.886 3.502 -4.080 4343TIP3 H119338 1.877 3.573 -4.015 4343TIP3 H219339 1.961 3.452 -4.043 4344TIP3 OH219340 2.917 3.585 -2.810 4344TIP3 H119341 2.821 3.597 -2.825 4344TIP3 H219342 2.942 3.561 -2.901 4345TIP3 OH219343 2.768 3.969 -3.415 4345TIP3 H119344 2.684 3.923 -3.435 4345TIP3 H219345 2.816 3.901 -3.363 4346TIP3 OH219346 1.546 3.808 -4.258 4346TIP3 H119347 1.558 3.903 -4.240 4346TIP3 H219348 1.453 3.806 -4.289 4347TIP3 OH219349 1.633 3.303 -3.371 4347TIP3 H119350 1.612 3.303 -3.467 4347TIP3 H219351 1.596 3.218 -3.341 4348TIP3 OH219352 1.480 4.307 -2.566 4348TIP3 H119353 1.457 4.212 -2.564 4348TIP3 H219354 1.399 4.351 -2.593 4349TIP3 OH219355 2.072 4.328 -2.612 4349TIP3 H119356 2.072 4.346 -2.708 4349TIP3 H219357 2.103 4.236 -2.609 4350TIP3 OH219358 2.672 -4.376 -2.837 4350TIP3 H119359 2.750 -4.331 -2.872 4350TIP3 H219360 2.602 -4.313 -2.860 4351TIP3 OH219361 1.536 4.023 -2.592 4351TIP3 H119362 1.615 3.966 -2.600 4351TIP3 H219363 1.538 4.045 -2.497 4352TIP3 OH219364 2.000 4.156 -4.082 4352TIP3 H119365 1.927 4.122 -4.029 4352TIP3 H219366 2.014 4.083 -4.145 4353TIP3 OH219367 1.912 3.934 -2.850 4353TIP3 H119368 1.852 4.010 -2.837 4353TIP3 H219369 1.972 3.969 -2.918 4354TIP3 OH219370 2.106 3.957 -4.269 4354TIP3 H119371 2.103 3.947 -4.365 4354TIP3 H219372 2.202 3.965 -4.253 4355TIP3 OH219373 2.444 4.216 -2.493 4355TIP3 H119374 2.526 4.192 -2.539 4355TIP3 H219375 2.402 4.131 -2.477 4356TIP3 OH219376 1.968 3.664 -2.742 4356TIP3 H119377 1.973 3.598 -2.813 4356TIP3 H219378 1.946 3.745 -2.791 4357TIP3 OH219379 2.000 3.510 -2.997 4357TIP3 H119380 2.051 3.563 -3.061 4357TIP3 H219381 1.909 3.514 -3.033 4358TIP3 OH219382 2.151 4.068 -2.966 4358TIP3 H119383 2.234 4.056 -3.014 4358TIP3 H219384 2.114 4.148 -3.006 4359TIP3 OH219385 2.615 3.850 -2.478 4359TIP3 H119386 2.632 3.755 -2.466 4359TIP3 H219387 2.706 3.884 -2.487 4360TIP3 OH219388 2.708 4.138 -2.640 4360TIP3 H119389 2.685 4.209 -2.704 4360TIP3 H219390 2.798 4.116 -2.672 4361TIP3 OH219391 1.782 3.850 -2.562 4361TIP3 H119392 1.732 3.767 -2.564 4361TIP3 H219393 1.864 3.825 -2.606 4362TIP3 OH219394 2.072 3.243 -2.961 4362TIP3 H119395 2.055 3.338 -2.978 4362TIP3 H219396 2.002 3.202 -3.015 4363TIP3 OH219397 2.199 3.702 -2.584 4363TIP3 H119398 2.164 3.681 -2.495 4363TIP3 H219399 2.120 3.682 -2.638 4364TIP3 OH219400 2.452 3.608 -2.695 4364TIP3 H119401 2.364 3.612 -2.654 4364TIP3 H219402 2.498 3.543 -2.638 4365TIP3 OH219403 2.638 3.454 -2.523 4365TIP3 H119404 2.622 3.359 -2.509 4365TIP3 H219405 2.618 3.494 -2.437 4366TIP3 OH219406 1.655 3.594 -2.578 4366TIP3 H119407 1.646 3.525 -2.645 4366TIP3 H219408 1.631 3.546 -2.497 4367TIP3 OH219409 2.056 3.192 -2.680 4367TIP3 H119410 2.115 3.115 -2.675 4367TIP3 H219411 2.053 3.207 -2.776 4368TIP3 OH219412 2.151 3.379 -2.495 4368TIP3 H119413 2.120 3.319 -2.566 4368TIP3 H219414 2.081 3.447 -2.493 4369TIP3 OH219415 3.091 4.363 -3.892 4369TIP3 H119416 3.185 4.363 -3.911 4369TIP3 H219417 3.075 4.277 -3.851 4370TIP3 OH219418 3.127 4.130 -3.732 4370TIP3 H119419 3.048 4.086 -3.693 4370TIP3 H219420 3.180 4.151 -3.654 4371TIP3 OH219421 3.144 4.107 -4.106 4371TIP3 H119422 3.081 4.137 -4.173 4371TIP3 H219423 3.129 4.172 -4.037 4372TIP3 OH219424 2.968 3.849 -4.211 4372TIP3 H119425 2.995 3.918 -4.274 4372TIP3 H219426 2.996 3.769 -4.257 4373TIP3 OH219427 2.900 3.966 -3.657 4373TIP3 H119428 2.897 3.870 -3.672 4373TIP3 H219429 2.864 3.973 -3.566 4374TIP3 OH219430 1.387 4.189 -3.260 4374TIP3 H119431 1.395 4.203 -3.355 4374TIP3 H219432 1.477 4.160 -3.235 4375TIP3 OH219433 2.985 4.161 -2.735 4375TIP3 H119434 3.059 4.101 -2.711 4375TIP3 H219435 3.028 4.245 -2.760 4376TIP3 OH219436 3.127 3.965 -2.616 4376TIP3 H119437 3.046 3.914 -2.639 4376TIP3 H219438 3.195 3.895 -2.615 4377TIP3 OH219439 2.887 3.550 -4.321 4377TIP3 H119440 2.951 3.501 -4.267 4377TIP3 H219441 2.808 3.493 -4.320 4378TIP3 OH219442 2.891 3.710 -3.835 4378TIP3 H119443 2.916 3.615 -3.829 4378TIP3 H219444 2.973 3.747 -3.873 4379TIP3 OH219445 2.919 3.771 -3.290 4379TIP3 H119446 3.017 3.776 -3.292 4379TIP3 H219447 2.905 3.770 -3.194 4380TIP3 OH219448 2.938 3.838 -3.003 4380TIP3 H119449 2.851 3.875 -2.982 4380TIP3 H219450 2.988 3.917 -3.031 4381TIP3 OH219451 1.385 3.716 -2.636 4381TIP3 H119452 1.479 3.690 -2.638 4381TIP3 H219453 1.341 3.630 -2.633 4382TIP3 OH219454 3.192 3.253 -2.478 4382TIP3 H119455 3.234 3.184 -2.532 4382TIP3 H219456 3.196 3.330 -2.537 4383TIP3 OH219457 2.938 3.434 -3.832 4383TIP3 H119458 2.961 3.395 -3.746 4383TIP3 H219459 2.863 3.378 -3.860 4384TIP3 OH219460 1.464 3.547 -3.362 4384TIP3 H119461 1.509 3.462 -3.351 4384TIP3 H219462 1.531 3.608 -3.324 4385TIP3 OH219463 1.320 3.813 -3.250 4385TIP3 H119464 1.374 3.812 -3.330 4385TIP3 H219465 1.350 3.895 -3.208 4386TIP3 OH219466 3.131 3.460 -2.654 4386TIP3 H119467 3.042 3.499 -2.651 4386TIP3 H219468 3.121 3.403 -2.732 4387TIP3 OH219469 3.143 3.476 -4.180 4387TIP3 H119470 3.174 3.398 -4.227 4387TIP3 H219471 3.227 3.524 -4.164 4388TIP3 OH219472 1.367 3.447 -3.853 4388TIP3 H119473 1.271 3.451 -3.870 4388TIP3 H219474 1.403 3.509 -3.920 4389TIP3 OH219475 1.372 3.337 -3.034 4389TIP3 H119476 1.300 3.310 -2.976 4389TIP3 H219477 1.323 3.391 -3.100 4390TIP3 OH219478 3.016 3.280 -2.855 4390TIP3 H119479 2.936 3.299 -2.907 4390TIP3 H219480 3.039 3.191 -2.887 4391TIP3 OH219481 2.360 3.430 -3.409 4391TIP3 H119482 2.291 3.362 -3.395 4391TIP3 H219483 2.421 3.383 -3.469 4392TIP3 OH219484 2.857 3.233 -3.362 4392TIP3 H119485 2.933 3.277 -3.405 4392TIP3 H219486 2.783 3.262 -3.417 4393TIP3 OH219487 3.066 3.339 -3.588 4393TIP3 H119488 3.148 3.304 -3.627 4393TIP3 H219489 3.095 3.429 -3.566 4394TIP3 OH219490 1.597 3.302 -3.653 4394TIP3 H119491 1.510 3.290 -3.697 4394TIP3 H219492 1.638 3.215 -3.668 4395TIP3 OH219493 1.475 3.256 -4.081 4395TIP3 H119494 1.532 3.322 -4.127 4395TIP3 H219495 1.439 3.310 -4.008 4396TIP3 OH219496 2.043 3.282 -3.666 4396TIP3 H119497 2.133 3.315 -3.679 4396TIP3 H219498 2.039 3.276 -3.570 4397TIP3 OH219499 2.601 3.289 -3.524 4397TIP3 H119500 2.628 3.274 -3.616 4397TIP3 H219501 2.564 3.202 -3.500 4398TIP3 OH219502 2.706 3.285 -3.919 4398TIP3 H119503 2.628 3.332 -3.952 4398TIP3 H219504 2.674 3.193 -3.917 4399TIP3 OH219505 1.642 3.427 -4.230 4399TIP3 H119506 1.700 3.371 -4.283 4399TIP3 H219507 1.706 3.480 -4.181 4400TIP3 OH219508 2.153 3.445 -3.959 4400TIP3 H119509 2.194 3.394 -3.888 4400TIP3 H219510 2.176 3.535 -3.930 4401TIP3 OH219511 1.574 3.324 -2.700 4401TIP3 H119512 1.536 3.242 -2.665 4401TIP3 H219513 1.667 3.312 -2.674 4402TIP3 OH219514 1.813 3.263 -2.527 4402TIP3 H119515 1.895 3.229 -2.567 4402TIP3 H219516 1.779 3.184 -2.484 4403TIP3 OH219517 2.626 3.174 -2.510 4403TIP3 H119518 2.629 3.133 -2.422 4403TIP3 H219519 2.720 3.171 -2.536 4404TIP3 OH219520 4.185 4.078 -3.321 4404TIP3 H119521 4.254 4.107 -3.259 4404TIP3 H219522 4.239 4.075 -3.401 4405TIP3 OH219523 3.523 4.082 -3.162 4405TIP3 H119524 3.512 4.008 -3.100 4405TIP3 H219525 3.582 4.139 -3.111 4406TIP3 OH219526 3.280 3.888 -3.758 4406TIP3 H119527 3.231 3.972 -3.756 4406TIP3 H219528 3.217 3.830 -3.804 4407TIP3 OH219529 3.380 4.137 -3.572 4407TIP3 H119530 3.374 4.054 -3.522 4407TIP3 H219531 3.448 4.112 -3.636 4408TIP3 OH219532 3.795 3.622 -3.497 4408TIP3 H119533 3.766 3.686 -3.565 4408TIP3 H219534 3.757 3.540 -3.534 4409TIP3 OH219535 3.414 3.878 -3.453 4409TIP3 H119536 3.475 3.825 -3.400 4409TIP3 H219537 3.416 3.830 -3.537 4410TIP3 OH219538 3.628 3.489 -3.092 4410TIP3 H119539 3.576 3.525 -3.165 4410TIP3 H219540 3.564 3.498 -3.019 4411TIP3 OH219541 3.869 4.264 -3.109 4411TIP3 H119542 3.796 4.326 -3.123 4411TIP3 H219543 3.944 4.325 -3.115 4412TIP3 OH219544 3.592 3.692 -3.313 4412TIP3 H119545 3.657 3.742 -3.260 4412TIP3 H219546 3.652 3.646 -3.376 4413TIP3 OH219547 4.031 3.237 -3.363 4413TIP3 H119548 4.010 3.142 -3.371 4413TIP3 H219549 3.944 3.273 -3.339 4414TIP3 OH219550 4.266 4.122 -3.912 4414TIP3 H119551 4.198 4.188 -3.936 4414TIP3 H219552 4.332 4.140 -3.979 4415TIP3 OH219553 4.291 3.967 -4.195 4415TIP3 H119554 4.373 3.967 -4.144 4415TIP3 H219555 4.297 3.888 -4.248 4416TIP3 OH219556 3.779 4.180 -3.595 4416TIP3 H119557 3.750 4.183 -3.689 4416TIP3 H219558 3.830 4.099 -3.596 4417TIP3 OH219559 3.848 4.061 -3.292 4417TIP3 H119560 3.898 4.109 -3.359 4417TIP3 H219561 3.842 4.130 -3.222 4418TIP3 OH219562 3.596 4.149 -2.887 4418TIP3 H119563 3.609 4.211 -2.811 4418TIP3 H219564 3.500 4.139 -2.885 4419TIP3 OH219565 3.643 4.090 -3.849 4419TIP3 H119566 3.628 4.166 -3.910 4419TIP3 H219567 3.589 4.021 -3.890 4420TIP3 OH219568 3.250 4.310 -2.981 4420TIP3 H119569 3.242 4.291 -3.076 4420TIP3 H219570 3.275 4.223 -2.945 4421TIP3 OH219571 3.759 3.332 -3.310 4421TIP3 H119572 3.681 3.331 -3.371 4421TIP3 H219573 3.729 3.396 -3.244 4422TIP3 OH219574 4.233 3.283 -2.864 4422TIP3 H119575 4.246 3.212 -2.799 4422TIP3 H219576 4.141 3.265 -2.893 4423TIP3 OH219577 4.207 3.573 -4.214 4423TIP3 H119578 4.162 3.538 -4.136 4423TIP3 H219579 4.230 3.491 -4.260 4424TIP3 OH219580 3.780 3.825 -3.152 4424TIP3 H119581 3.718 3.829 -3.076 4424TIP3 H219582 3.784 3.918 -3.181 4425TIP3 OH219583 3.799 3.857 -3.645 4425TIP3 H119584 3.702 3.857 -3.659 4425TIP3 H219585 3.828 3.838 -3.737 4426TIP3 OH219586 4.263 3.875 -3.715 4426TIP3 H119587 4.266 3.963 -3.757 4426TIP3 H219588 4.357 3.852 -3.706 4427TIP3 OH219589 4.254 3.922 -2.598 4427TIP3 H119590 4.198 3.842 -2.601 4427TIP3 H219591 4.340 3.882 -2.619 4428TIP3 OH219592 3.521 3.842 -2.969 4428TIP3 H119593 3.540 3.876 -2.881 4428TIP3 H219594 3.482 3.755 -2.948 4429TIP3 OH219595 3.888 3.578 -4.323 4429TIP3 H119596 3.862 3.560 -4.231 4429TIP3 H219597 3.815 3.637 -4.351 4430TIP3 OH219598 3.213 3.596 -3.588 4430TIP3 H119599 3.277 3.569 -3.520 4430TIP3 H219600 3.248 3.553 -3.668 4431TIP3 OH219601 3.355 3.631 -4.044 4431TIP3 H119602 3.414 3.683 -4.103 4431TIP3 H219603 3.290 3.698 -4.017 4432TIP3 OH219604 4.349 3.962 -3.027 4432TIP3 H119605 4.371 3.898 -3.098 4432TIP3 H219606 4.274 3.916 -2.986 4433TIP3 OH219607 3.526 3.722 -3.689 4433TIP3 H119608 3.439 3.738 -3.730 4433TIP3 H219609 3.551 3.636 -3.728 4434TIP3 OH219610 3.868 3.776 -3.909 4434TIP3 H119611 3.963 3.758 -3.919 4434TIP3 H219612 3.842 3.811 -3.996 4435TIP3 OH219613 3.731 3.868 -4.156 4435TIP3 H119614 3.670 3.818 -4.213 4435TIP3 H219615 3.804 3.889 -4.216 4436TIP3 OH219616 3.607 4.314 -2.676 4436TIP3 H119617 3.666 4.363 -2.616 4436TIP3 H219618 3.528 4.305 -2.618 4437TIP3 OH219619 3.682 3.482 -3.780 4437TIP3 H119620 3.630 3.418 -3.728 4437TIP3 H219621 3.766 3.435 -3.789 4438TIP3 OH219622 4.039 3.713 -3.179 4438TIP3 H119623 3.968 3.758 -3.130 4438TIP3 H219624 4.115 3.728 -3.119 4439TIP3 OH219625 4.070 4.330 -3.951 4439TIP3 H119626 3.995 4.288 -3.998 4439TIP3 H219627 4.043 4.325 -3.858 4440TIP3 OH219628 3.621 4.255 -3.387 4440TIP3 H119629 3.679 4.236 -3.463 4440TIP3 H219630 3.605 4.166 -3.352 4441TIP3 OH219631 3.310 4.079 -2.854 4441TIP3 H119632 3.319 4.039 -2.766 4441TIP3 H219633 3.237 4.029 -2.895 4442TIP3 OH219634 4.001 4.048 -2.649 4442TIP3 H119635 3.970 4.021 -2.737 4442TIP3 H219636 4.097 4.032 -2.655 4443TIP3 OH219637 3.422 4.086 -4.197 4443TIP3 H119638 3.476 4.155 -4.157 4443TIP3 H219639 3.332 4.111 -4.171 4444TIP3 OH219640 3.435 3.566 -2.888 4444TIP3 H119641 3.346 3.590 -2.919 4444TIP3 H219642 3.420 3.477 -2.852 4445TIP3 OH219643 3.581 -4.393 -4.007 4445TIP3 H119644 3.490 -4.357 -4.005 4445TIP3 H219645 3.629 -4.318 -4.045 4446TIP3 OH219646 4.331 3.593 -2.983 4446TIP3 H119647 4.388 3.522 -2.955 4446TIP3 H219648 4.276 3.547 -3.048 4447TIP3 OH219649 4.118 3.668 -3.803 4447TIP3 H119650 4.188 3.736 -3.794 4447TIP3 H219651 4.093 3.663 -3.711 4448TIP3 OH219652 4.169 3.791 -2.896 4448TIP3 H119653 4.186 3.830 -2.810 4448TIP3 H219654 4.231 3.716 -2.899 4449TIP3 OH219655 4.189 3.392 -3.696 4449TIP3 H119656 4.188 3.472 -3.642 4449TIP3 H219657 4.268 3.412 -3.750 4450TIP3 OH219658 3.775 3.506 -4.086 4450TIP3 H119659 3.753 3.564 -4.010 4450TIP3 H219660 3.844 3.450 -4.049 4451TIP3 OH219661 3.432 3.809 -4.261 4451TIP3 H119662 3.444 3.904 -4.241 4451TIP3 H219663 3.338 3.806 -4.287 4452TIP3 OH219664 3.360 4.306 -2.557 4452TIP3 H119665 3.349 4.210 -2.569 4452TIP3 H219666 3.284 4.345 -2.603 4453TIP3 OH219667 3.956 4.332 -2.610 4453TIP3 H119668 3.960 4.346 -2.707 4453TIP3 H219669 3.996 4.244 -2.601 4454TIP3 OH219670 3.423 4.028 -2.592 4454TIP3 H119671 3.500 3.968 -2.601 4454TIP3 H219672 3.421 4.042 -2.496 4455TIP3 OH219673 3.878 4.159 -4.079 4455TIP3 H119674 3.812 4.113 -4.026 4455TIP3 H219675 3.903 4.090 -4.143 4456TIP3 OH219676 3.799 3.934 -2.855 4456TIP3 H119677 3.740 4.009 -2.835 4456TIP3 H219678 3.858 3.973 -2.922 4457TIP3 OH219679 3.999 3.957 -4.270 4457TIP3 H119680 3.987 3.955 -4.366 4457TIP3 H219681 4.092 3.983 -4.263 4458TIP3 OH219682 4.277 4.197 -2.493 4458TIP3 H119683 4.348 4.175 -2.553 4458TIP3 H219684 4.252 4.109 -2.463 4459TIP3 OH219685 3.858 3.664 -2.740 4459TIP3 H119686 3.862 3.599 -2.812 4459TIP3 H219687 3.837 3.746 -2.788 4460TIP3 OH219688 3.889 3.515 -3.002 4460TIP3 H119689 3.934 3.563 -3.073 4460TIP3 H219690 3.797 3.510 -3.034 4461TIP3 OH219691 4.052 4.060 -2.977 4461TIP3 H119692 4.133 4.056 -3.029 4461TIP3 H219693 4.021 4.150 -2.994 4462TIP3 OH219694 3.667 3.851 -2.566 4462TIP3 H119695 3.617 3.767 -2.564 4462TIP3 H219696 3.751 3.823 -2.605 4463TIP3 OH219697 3.973 3.249 -2.961 4463TIP3 H119698 3.947 3.342 -2.977 4463TIP3 H219699 3.906 3.202 -3.016 4464TIP3 OH219700 4.103 3.694 -2.589 4464TIP3 H119701 4.069 3.670 -2.502 4464TIP3 H219702 4.027 3.671 -2.645 4465TIP3 OH219703 3.540 3.595 -2.579 4465TIP3 H119704 3.530 3.524 -2.645 4465TIP3 H219705 3.517 3.546 -2.497 4466TIP3 OH219706 3.945 3.194 -2.678 4466TIP3 H119707 4.005 3.118 -2.674 4466TIP3 H219708 3.941 3.208 -2.775 4467TIP3 OH219709 4.036 3.375 -2.485 4467TIP3 H119710 4.008 3.319 -2.560 4467TIP3 H219711 3.971 3.447 -2.488 4468TIP3 OH219712 3.274 4.187 -3.259 4468TIP3 H119713 3.281 4.200 -3.355 4468TIP3 H219714 3.365 4.160 -3.236 4469TIP3 OH219715 3.271 3.717 -2.634 4469TIP3 H119716 3.364 3.689 -2.638 4469TIP3 H219717 3.226 3.631 -2.633 4470TIP3 OH219718 3.352 3.529 -3.307 4470TIP3 H119719 3.390 3.454 -3.358 4470TIP3 H219720 3.425 3.593 -3.316 4471TIP3 OH219721 3.201 3.818 -3.253 4471TIP3 H119722 3.260 3.809 -3.330 4471TIP3 H219723 3.238 3.896 -3.210 4472TIP3 OH219724 3.243 3.465 -3.841 4472TIP3 H119725 3.152 3.454 -3.874 4472TIP3 H219726 3.289 3.506 -3.916 4473TIP3 OH219727 3.258 3.338 -3.026 4473TIP3 H119728 3.180 3.311 -2.976 4473TIP3 H219729 3.219 3.386 -3.101 4474TIP3 OH219730 4.252 3.407 -3.406 4474TIP3 H119731 4.172 3.353 -3.393 4474TIP3 H219732 4.295 3.362 -3.480 4475TIP3 OH219733 3.349 3.263 -4.090 4475TIP3 H119734 3.416 3.324 -4.127 4475TIP3 H219735 3.334 3.300 -4.002 4476TIP3 OH219736 3.930 3.293 -3.668 4476TIP3 H119737 4.026 3.311 -3.671 4476TIP3 H219738 3.917 3.276 -3.574 4477TIP3 OH219739 3.527 3.429 -4.233 4477TIP3 H119740 3.586 3.370 -4.283 4477TIP3 H219741 3.592 3.483 -4.184 4478TIP3 OH219742 4.062 3.446 -3.965 4478TIP3 H119743 4.065 3.388 -3.888 4478TIP3 H219744 4.061 3.534 -3.923 4479TIP3 OH219745 3.459 3.326 -2.696 4479TIP3 H119746 3.420 3.243 -2.664 4479TIP3 H219747 3.553 3.311 -2.674 4480TIP3 OH219748 3.700 3.264 -2.526 4480TIP3 H119749 3.782 3.228 -2.565 4480TIP3 H219750 3.664 3.184 -2.484 4481TIP3 OH219751 -3.161 -3.368 -1.741 4481TIP3 H119752 -3.159 -3.272 -1.728 4481TIP3 H219753 -3.237 -3.377 -1.801 4482TIP3 OH219754 -3.277 -3.422 -1.435 4482TIP3 H119755 -3.276 -3.477 -1.355 4482TIP3 H219756 -3.300 -3.486 -1.503 4483TIP3 OH219757 -2.913 -3.148 -1.603 4483TIP3 H119758 -2.944 -3.217 -1.543 4483TIP3 H219759 -2.869 -3.088 -1.540 4484TIP3 OH219760 -3.959 -3.003 -1.422 4484TIP3 H119761 -3.984 -3.095 -1.439 4484TIP3 H219762 -3.865 -3.014 -1.400 4485TIP3 OH219763 -4.199 -3.570 -1.855 4485TIP3 H119764 -4.260 -3.495 -1.861 4485TIP3 H219765 -4.259 -3.645 -1.845 4486TIP3 OH219766 -3.203 -2.613 -1.545 4486TIP3 H119767 -3.144 -2.682 -1.579 4486TIP3 H219768 -3.227 -2.649 -1.459 4487TIP3 OH219769 -3.427 -3.172 -1.378 4487TIP3 H119770 -3.392 -3.244 -1.434 4487TIP3 H219771 -3.345 -3.155 -1.326 4488TIP3 OH219772 -2.570 -4.018 -1.320 4488TIP3 H119773 -2.537 -3.971 -1.242 4488TIP3 H219774 -2.506 -3.987 -1.387 4489TIP3 OH219775 -3.099 -3.741 -1.326 4489TIP3 H119776 -3.077 -3.835 -1.325 4489TIP3 H219777 -3.105 -3.724 -1.421 4490TIP3 OH219778 -3.804 -3.941 -1.614 4490TIP3 H119779 -3.784 -3.857 -1.660 4490TIP3 H219780 -3.833 -3.996 -1.689 4491TIP3 OH219781 -3.011 -3.922 -1.784 4491TIP3 H119782 -2.950 -3.964 -1.720 4491TIP3 H219783 -2.947 -3.877 -1.842 4492TIP3 OH219784 -4.136 -3.626 -1.544 4492TIP3 H119785 -4.080 -3.697 -1.505 4492TIP3 H219786 -4.132 -3.652 -1.638 4493TIP3 OH219787 -3.603 -3.526 -1.611 4493TIP3 H119788 -3.526 -3.576 -1.579 4493TIP3 H219789 -3.646 -3.593 -1.669 4494TIP3 OH219790 -2.478 -3.851 -1.058 4494TIP3 H119791 -2.552 -3.796 -1.090 4494TIP3 H219792 -2.513 -3.886 -0.976 4495TIP3 OH219793 -3.916 -4.046 -1.202 4495TIP3 H119794 -3.959 -4.005 -1.278 4495TIP3 H219795 -3.985 -4.033 -1.134 4496TIP3 OH219796 -3.172 -3.084 -1.864 4496TIP3 H119797 -3.201 -3.102 -1.953 4496TIP3 H219798 -3.214 -2.999 -1.845 4497TIP3 OH219799 -3.627 -3.271 -1.192 4497TIP3 H119800 -3.698 -3.209 -1.166 4497TIP3 H219801 -3.562 -3.211 -1.234 4498TIP3 OH219802 -2.824 -4.014 -1.581 4498TIP3 H119803 -2.872 -4.059 -1.510 4498TIP3 H219804 -2.771 -3.950 -1.530 4499TIP3 OH219805 -3.967 -3.836 -1.419 4499TIP3 H119806 -3.899 -3.789 -1.366 4499TIP3 H219807 -3.910 -3.879 -1.486 4500TIP3 OH219808 -3.826 -3.081 -1.122 4500TIP3 H119809 -3.829 -2.987 -1.148 4500TIP3 H219810 -3.914 -3.090 -1.079 4501TIP3 OH219811 -4.185 -3.122 -2.024 4501TIP3 H119812 -4.263 -3.102 -2.078 4501TIP3 H219813 -4.189 -3.054 -1.954 4502TIP3 OH219814 -2.864 -2.983 -1.340 4502TIP3 H119815 -2.950 -2.940 -1.355 4502TIP3 H219816 -2.803 -2.925 -1.389 4503TIP3 OH219817 -2.808 -4.111 -1.181 4503TIP3 H119818 -2.888 -4.077 -1.224 4503TIP3 H219819 -2.741 -4.096 -1.250 4504TIP3 OH219820 -3.496 4.382 -1.473 4504TIP3 H119821 -3.501 4.285 -1.469 4504TIP3 H219822 -3.586 4.411 -1.448 4505TIP3 OH219823 -3.023 -2.772 -1.700 4505TIP3 H119824 -2.974 -2.853 -1.725 4505TIP3 H219825 -2.952 -2.705 -1.704 4506TIP3 OH219826 -2.876 -2.986 -1.838 4506TIP3 H119827 -2.930 -3.037 -1.900 4506TIP3 H219828 -2.874 -3.047 -1.762 4507TIP3 OH219829 -2.726 -3.105 -0.986 4507TIP3 H119830 -2.727 -3.167 -1.061 4507TIP3 H219831 -2.709 -3.020 -1.031 4508TIP3 OH219832 -3.297 -3.416 -2.016 4508TIP3 H119833 -3.361 -3.353 -2.054 4508TIP3 H219834 -3.223 -3.409 -2.079 4509TIP3 OH219835 -3.267 -3.595 -2.311 4509TIP3 H119836 -3.199 -3.565 -2.249 4509TIP3 H219837 -3.214 -3.653 -2.368 4510TIP3 OH219838 -2.547 -3.491 -1.193 4510TIP3 H119839 -2.614 -3.420 -1.186 4510TIP3 H219840 -2.495 -3.456 -1.269 4511TIP3 OH219841 -2.945 -3.417 -1.908 4511TIP3 H119842 -3.011 -3.393 -1.839 4511TIP3 H219843 -2.882 -3.469 -1.855 4512TIP3 OH219844 -2.961 -3.562 -1.025 4512TIP3 H119845 -2.954 -3.482 -0.970 4512TIP3 H219846 -3.022 -3.528 -1.093 4513TIP3 OH219847 -3.788 -3.334 -1.725 4513TIP3 H119848 -3.819 -3.378 -1.807 4513TIP3 H219849 -3.722 -3.398 -1.693 4514TIP3 OH219850 -3.651 -3.001 -1.455 4514TIP3 H119851 -3.655 -3.035 -1.546 4514TIP3 H219852 -3.569 -3.044 -1.422 4515TIP3 OH219853 -3.755 -3.448 -1.382 4515TIP3 H119854 -3.690 -3.458 -1.454 4515TIP3 H219855 -3.706 -3.394 -1.317 4516TIP3 OH219856 -3.154 -2.897 -1.323 4516TIP3 H119857 -3.132 -2.835 -1.251 4516TIP3 H219858 -3.155 -2.984 -1.278 4517TIP3 OH219859 -3.643 -3.026 -0.897 4517TIP3 H119860 -3.693 -2.959 -0.848 4517TIP3 H219861 -3.706 -3.050 -0.967 4518TIP3 OH219862 -3.049 -3.471 -2.162 4518TIP3 H119863 -3.002 -3.443 -2.080 4518TIP3 H219864 -2.999 -3.419 -2.230 4519TIP3 OH219865 -3.964 -3.383 -1.005 4519TIP3 H119866 -3.953 -3.329 -0.924 4519TIP3 H219867 -4.061 -3.395 -1.008 4520TIP3 OH219868 -3.307 -2.811 -1.805 4520TIP3 H119869 -3.252 -2.783 -1.730 4520TIP3 H219870 -3.352 -2.729 -1.831 4521TIP3 OH219871 -3.836 -2.808 -0.814 4521TIP3 H119872 -3.843 -2.803 -0.911 4521TIP3 H219873 -3.927 -2.826 -0.785 4522TIP3 OH219874 -2.731 -4.320 -2.241 4522TIP3 H119875 -2.770 -4.324 -2.152 4522TIP3 H219876 -2.651 -4.270 -2.221 4523TIP3 OH219877 -3.885 -3.463 -1.981 4523TIP3 H119878 -3.914 -3.386 -2.032 4523TIP3 H219879 -3.961 -3.522 -1.988 4524TIP3 OH219880 -2.566 -2.880 -2.363 4524TIP3 H119881 -2.550 -2.788 -2.335 4524TIP3 H219882 -2.480 -2.922 -2.341 4525TIP3 OH219883 -4.262 -3.210 -1.144 4525TIP3 H119884 -4.343 -3.198 -1.193 4525TIP3 H219885 -4.297 -3.254 -1.064 4526TIP3 OH219886 -4.286 -2.920 -1.415 4526TIP3 H119887 -4.191 -2.935 -1.407 4526TIP3 H219888 -4.301 -2.850 -1.350 4527TIP3 OH219889 -2.440 -2.838 -0.830 4527TIP3 H119890 -2.448 -2.930 -0.859 4527TIP3 H219891 -2.532 -2.817 -0.805 4528TIP3 OH219892 -3.378 -2.920 -0.954 4528TIP3 H119893 -3.369 -2.837 -0.902 4528TIP3 H219894 -3.468 -2.949 -0.930 4529TIP3 OH219895 -3.352 -2.537 -1.957 4529TIP3 H119896 -3.347 -2.528 -2.054 4529TIP3 H219897 -3.342 -2.445 -1.927 4530TIP3 OH219898 -3.976 -2.625 -1.794 4530TIP3 H119899 -3.953 -2.666 -1.709 4530TIP3 H219900 -4.057 -2.675 -1.814 4531TIP3 OH219901 -3.019 -2.591 -2.241 4531TIP3 H119902 -2.962 -2.657 -2.286 4531TIP3 H219903 -3.024 -2.629 -2.151 4532TIP3 OH219904 -3.079 -2.654 -1.963 4532TIP3 H119905 -3.173 -2.640 -1.943 4532TIP3 H219906 -3.058 -2.722 -1.896 4533TIP3 OH219907 -2.764 -3.710 -0.794 4533TIP3 H119908 -2.812 -3.668 -0.867 4533TIP3 H219909 -2.756 -3.802 -0.825 4534TIP3 OH219910 -4.071 -3.042 -0.975 4534TIP3 H119911 -4.037 -3.097 -0.903 4534TIP3 H219912 -4.141 -3.097 -1.015 4535TIP3 OH219913 -3.753 -4.222 -1.387 4535TIP3 H119914 -3.839 -4.231 -1.431 4535TIP3 H219915 -3.765 -4.136 -1.344 4536TIP3 OH219916 -3.290 -4.262 -1.031 4536TIP3 H119917 -3.270 -4.309 -0.950 4536TIP3 H219918 -3.385 -4.278 -1.040 4537TIP3 OH219919 -2.995 -3.864 -0.991 4537TIP3 H119920 -3.051 -3.874 -0.912 4537TIP3 H219921 -2.997 -3.768 -1.007 4538TIP3 OH219922 -2.895 -3.363 -2.362 4538TIP3 H119923 -2.913 -3.380 -2.457 4538TIP3 H219924 -2.801 -3.337 -2.366 4539TIP3 OH219925 -3.329 -3.993 -2.316 4539TIP3 H119926 -3.383 -4.004 -2.235 4539TIP3 H219927 -3.378 -4.054 -2.375 4540TIP3 OH219928 -3.767 -3.718 -1.263 4540TIP3 H119929 -3.819 -3.704 -1.182 4540TIP3 H219930 -3.757 -3.627 -1.295 4541TIP3 OH219931 -3.769 -3.710 -1.772 4541TIP3 H119932 -3.864 -3.717 -1.791 4541TIP3 H219933 -3.732 -3.726 -1.861 4542TIP3 OH219934 -3.207 -3.652 -1.898 4542TIP3 H119935 -3.247 -3.569 -1.930 4542TIP3 H219936 -3.138 -3.667 -1.965 4543TIP3 OH219937 -3.288 -3.632 -0.763 4543TIP3 H119938 -3.338 -3.707 -0.725 4543TIP3 H219939 -3.201 -3.642 -0.721 4544TIP3 OH219940 -3.123 -3.712 -1.618 4544TIP3 H119941 -3.150 -3.653 -1.691 4544TIP3 H219942 -3.101 -3.792 -1.669 4545TIP3 OH219943 -4.045 -3.685 -1.097 4545TIP3 H119944 -3.991 -3.647 -1.027 4545TIP3 H219945 -4.053 -3.778 -1.071 4546TIP3 OH219946 -3.690 -3.940 -2.420 4546TIP3 H119947 -3.723 -3.978 -2.337 4546TIP3 H219948 -3.769 -3.928 -2.473 4547TIP3 OH219949 -4.321 -3.928 -1.709 4547TIP3 H119950 -4.300 -3.964 -1.620 4547TIP3 H219951 -4.302 -4.002 -1.766 4548TIP3 OH219952 -4.213 -3.877 -2.124 4548TIP3 H119953 -4.155 -3.861 -2.201 4548TIP3 H219954 -4.300 -3.864 -2.164 4549TIP3 OH219955 -3.217 -3.545 -1.175 4549TIP3 H119956 -3.169 -3.616 -1.223 4549TIP3 H219957 -3.240 -3.590 -1.093 4550TIP3 OH219958 -3.490 -3.941 -1.675 4550TIP3 H119959 -3.583 -3.961 -1.653 4550TIP3 H219960 -3.445 -3.971 -1.594 4551TIP3 OH219961 -4.032 -3.826 -1.811 4551TIP3 H119962 -4.117 -3.821 -1.856 4551TIP3 H219963 -3.997 -3.911 -1.842 4552TIP3 OH219964 -3.672 -3.791 -2.035 4552TIP3 H119965 -3.575 -3.786 -2.029 4552TIP3 H219966 -3.694 -3.730 -2.106 4553TIP3 OH219967 -3.056 -4.033 -1.370 4553TIP3 H119968 -3.120 -4.035 -1.296 4553TIP3 H219969 -3.114 -4.063 -1.442 4554TIP3 OH219970 -3.826 -3.668 -2.261 4554TIP3 H119971 -3.882 -3.700 -2.334 4554TIP3 H219972 -3.743 -3.647 -2.307 4555TIP3 OH219973 -2.752 -2.455 -0.704 4555TIP3 H119974 -2.727 -2.412 -0.787 4555TIP3 H219975 -2.682 -2.425 -0.644 4556TIP3 OH219976 -3.952 -3.200 -0.766 4556TIP3 H119977 -3.889 -3.196 -0.691 4556TIP3 H219978 -4.036 -3.188 -0.716 4557TIP3 OH219979 -3.390 -3.694 -1.490 4557TIP3 H119980 -3.316 -3.734 -1.537 4557TIP3 H219981 -3.404 -3.756 -1.416 4558TIP3 OH219982 -3.880 -4.061 -1.866 4558TIP3 H119983 -3.921 -4.148 -1.853 4558TIP3 H219984 -3.794 -4.084 -1.903 4559TIP3 OH219985 -3.493 -3.851 -1.262 4559TIP3 H119986 -3.567 -3.789 -1.263 4559TIP3 H219987 -3.441 -3.823 -1.184 4560TIP3 OH219988 -3.479 -3.208 -2.076 4560TIP3 H119989 -3.555 -3.260 -2.110 4560TIP3 H219990 -3.497 -3.204 -1.979 4561TIP3 OH219991 -2.741 -3.282 -1.215 4561TIP3 H119992 -2.697 -3.227 -1.281 4561TIP3 H219993 -2.829 -3.292 -1.255 4562TIP3 OH219994 -3.061 -3.931 -2.313 4562TIP3 H119995 -3.159 -3.938 -2.310 4562TIP3 H219996 -3.041 -3.863 -2.246 4563TIP3 OH219997 -3.320 -3.212 -0.942 4563TIP3 H119998 -3.341 -3.238 -0.852 4563TIP3 H219999 -3.342 -3.117 -0.943 4564TIP3 OH220000 -2.996 -3.749 -2.099 4564TIP3 H120001 -2.910 -3.763 -2.054 4564TIP3 H220002 -2.985 -3.659 -2.135 4565TIP3 OH220003 -3.985 -3.314 -1.485 4565TIP3 H120004 -3.945 -3.288 -1.570 4565TIP3 H220005 -3.909 -3.363 -1.446 4566TIP3 OH220006 -3.238 -3.073 -2.183 4566TIP3 H120007 -3.263 -2.987 -2.144 4566TIP3 H220008 -3.313 -3.128 -2.155 4567TIP3 OH220009 -4.243 -3.431 -0.941 4567TIP3 H120010 -4.227 -3.491 -0.866 4567TIP3 H220011 -4.295 -3.486 -1.002 4568TIP3 OH220012 -3.542 -3.496 -0.772 4568TIP3 H120013 -3.567 -3.515 -0.864 4568TIP3 H220014 -3.448 -3.521 -0.774 4569TIP3 OH220015 -3.089 -2.955 -0.995 4569TIP3 H120016 -3.185 -2.940 -1.002 4569TIP3 H220017 -3.069 -2.923 -0.905 4570TIP3 OH220018 -2.534 -3.746 -2.118 4570TIP3 H120019 -2.591 -3.764 -2.196 4570TIP3 H220020 -2.522 -3.650 -2.131 4571TIP3 OH220021 -2.490 -3.144 -0.838 4571TIP3 H120022 -2.583 -3.118 -0.857 4571TIP3 H220023 -2.457 -3.158 -0.929 4572TIP3 OH220024 -2.724 -2.888 -2.117 4572TIP3 H120025 -2.737 -2.958 -2.052 4572TIP3 H220026 -2.656 -2.924 -2.175 4573TIP3 OH220027 -2.987 -3.352 -1.367 4573TIP3 H120028 -3.080 -3.365 -1.393 4573TIP3 H220029 -2.943 -3.422 -1.418 4574TIP3 OH220030 -3.729 -2.941 -1.764 4574TIP3 H120031 -3.684 -2.857 -1.778 4574TIP3 H220032 -3.819 -2.920 -1.793 4575TIP3 OH220033 -4.155 -3.447 -2.289 4575TIP3 H120034 -4.081 -3.392 -2.256 4575TIP3 H220035 -4.227 -3.384 -2.282 4576TIP3 OH220036 -3.545 -3.174 -1.806 4576TIP3 H120037 -3.569 -3.082 -1.790 4576TIP3 H220038 -3.616 -3.222 -1.761 4577TIP3 OH220039 -3.527 -2.746 -1.169 4577TIP3 H120040 -3.470 -2.673 -1.198 4577TIP3 H220041 -3.464 -2.798 -1.116 4578TIP3 OH220042 -3.682 -2.652 -1.845 4578TIP3 H120043 -3.777 -2.636 -1.838 4578TIP3 H220044 -3.646 -2.564 -1.821 4579TIP3 OH220045 -3.187 -3.174 -1.215 4579TIP3 H120046 -3.211 -3.199 -1.124 4579TIP3 H220047 -3.109 -3.230 -1.232 4580TIP3 OH220048 -2.971 -3.043 -2.322 4580TIP3 H120049 -2.925 -3.084 -2.246 4580TIP3 H220050 -3.063 -3.057 -2.293 4581TIP3 OH220051 -2.898 -2.712 -0.968 4581TIP3 H120052 -2.970 -2.757 -1.017 4581TIP3 H220053 -2.878 -2.637 -1.027 4582TIP3 OH220054 -2.496 -2.615 -2.268 4582TIP3 H120055 -2.426 -2.550 -2.286 4582TIP3 H220056 -2.572 -2.554 -2.263 4583TIP3 OH220057 -4.103 -3.956 -1.012 4583TIP3 H120058 -4.191 -3.916 -1.006 4583TIP3 H220059 -4.117 -4.042 -0.965 4584TIP3 OH220060 -2.874 -3.182 -2.083 4584TIP3 H120061 -2.898 -3.254 -2.021 4584TIP3 H220062 -2.777 -3.181 -2.073 4585TIP3 OH220063 -4.129 -2.801 -1.160 4585TIP3 H120064 -4.103 -2.893 -1.147 4585TIP3 H220065 -4.097 -2.762 -1.077 4586TIP3 OH220066 -3.546 -2.937 -2.464 4586TIP3 H120067 -3.514 -3.016 -2.512 4586TIP3 H220068 -3.586 -2.977 -2.385 4587TIP3 OH220069 -3.663 -2.986 -2.190 4587TIP3 H120070 -3.609 -3.038 -2.129 4587TIP3 H220071 -3.647 -2.894 -2.159 4588TIP3 OH220072 -3.989 -3.243 -2.159 4588TIP3 H120073 -4.057 -3.202 -2.101 4588TIP3 H220074 -3.937 -3.164 -2.181 4589TIP3 OH220075 -3.217 -4.007 -1.140 4589TIP3 H120076 -3.152 -3.980 -1.074 4589TIP3 H220077 -3.250 -4.092 -1.106 4590TIP3 OH220078 -3.136 -4.056 -2.026 4590TIP3 H120079 -3.128 -3.996 -2.102 4590TIP3 H220080 -3.099 -4.002 -1.954 4591TIP3 OH220081 -3.368 -2.825 -2.130 4591TIP3 H120082 -3.447 -2.772 -2.110 4591TIP3 H220083 -3.327 -2.773 -2.200 4592TIP3 OH220084 -3.403 -3.852 -1.927 4592TIP3 H120085 -3.329 -3.789 -1.914 4592TIP3 H220086 -3.432 -3.867 -1.835 4593TIP3 OH220087 -3.372 -3.762 -1.013 4593TIP3 H120088 -3.360 -3.710 -0.931 4593TIP3 H220089 -3.313 -3.837 -0.998 4594TIP3 OH220090 -3.332 -4.174 -1.828 4594TIP3 H120091 -3.364 -4.099 -1.774 4594TIP3 H220092 -3.275 -4.128 -1.893 4595TIP3 OH220093 -3.647 -2.714 -2.129 4595TIP3 H120094 -3.651 -2.633 -2.184 4595TIP3 H220095 -3.658 -2.680 -2.039 4596TIP3 OH220096 -3.776 -4.050 -2.175 4596TIP3 H120097 -3.771 -3.967 -2.124 4596TIP3 H220098 -3.688 -4.088 -2.153 4597TIP3 OH220099 -2.732 -3.963 -0.932 4597TIP3 H120100 -2.828 -3.953 -0.943 4597TIP3 H220101 -2.709 -3.987 -1.023 4598TIP3 OH220102 -2.890 -3.574 -1.522 4598TIP3 H120103 -2.971 -3.621 -1.550 4598TIP3 H220104 -2.840 -3.645 -1.476 4599TIP3 OH220105 -3.932 -2.959 -2.275 4599TIP3 H120106 -3.857 -2.914 -2.234 4599TIP3 H220107 -3.885 -3.014 -2.339 4600TIP3 OH220108 -4.119 -3.749 -2.356 4600TIP3 H120109 -4.105 -3.654 -2.342 4600TIP3 H220110 -4.192 -3.753 -2.419 4601TIP3 OH220111 -2.799 -2.680 -1.373 4601TIP3 H120112 -2.798 -2.600 -1.429 4601TIP3 H220113 -2.705 -2.701 -1.367 4602TIP3 OH220114 -4.078 -4.237 -1.465 4602TIP3 H120115 -4.058 -4.259 -1.557 4602TIP3 H220116 -4.112 -4.322 -1.433 4603TIP3 OH220117 -4.138 -2.883 -1.859 4603TIP3 H120118 -4.228 -2.846 -1.854 4603TIP3 H220119 -4.103 -2.841 -1.939 4604TIP3 OH220120 -4.214 -2.604 -0.738 4604TIP3 H120121 -4.150 -2.604 -0.664 4604TIP3 H220122 -4.215 -2.701 -0.752 4605TIP3 OH220123 -3.726 -2.691 -0.565 4605TIP3 H120124 -3.657 -2.755 -0.543 4605TIP3 H220125 -3.750 -2.718 -0.655 4606TIP3 OH220126 -3.322 -2.765 -2.415 4606TIP3 H120127 -3.398 -2.827 -2.423 4606TIP3 H220128 -3.251 -2.821 -2.451 4607TIP3 OH220129 -3.084 -2.863 -0.704 4607TIP3 H120130 -3.117 -2.947 -0.668 4607TIP3 H220131 -3.011 -2.842 -0.643 4608TIP3 OH220132 -2.861 -2.777 -2.405 4608TIP3 H120133 -2.843 -2.854 -2.347 4608TIP3 H220134 -2.778 -2.773 -2.457 4609TIP3 OH220135 -4.199 -3.200 -0.676 4609TIP3 H120136 -4.189 -3.289 -0.711 4609TIP3 H220137 -4.287 -3.174 -0.706 4610TIP3 OH220138 -3.781 -3.195 -2.429 4610TIP3 H120139 -3.761 -3.252 -2.353 4610TIP3 H220140 -3.695 -3.195 -2.475 4611TIP3 OH220141 -3.541 -3.217 -0.696 4611TIP3 H120142 -3.568 -3.182 -0.783 4611TIP3 H220143 -3.532 -3.313 -0.712 4612TIP3 OH220144 -3.259 -3.061 -2.468 4612TIP3 H120145 -3.259 -3.064 -2.371 4612TIP3 H220146 -3.261 -3.157 -2.489 4613TIP3 OH220147 -3.000 -3.253 -0.959 4613TIP3 H120148 -2.920 -3.201 -0.978 4613TIP3 H220149 -3.067 -3.182 -0.962 4614TIP3 OH220150 -4.136 -3.528 -0.701 4614TIP3 H120151 -4.057 -3.584 -0.714 4614TIP3 H220152 -4.123 -3.499 -0.610 4615TIP3 OH220153 -3.675 -3.383 -2.197 4615TIP3 H120154 -3.733 -3.435 -2.139 4615TIP3 H220155 -3.642 -3.452 -2.259 4616TIP3 OH220156 -3.761 -3.610 -0.982 4616TIP3 H120157 -3.803 -3.530 -0.947 4616TIP3 H220158 -3.688 -3.572 -1.033 4617TIP3 OH220159 -3.576 -3.583 -2.370 4617TIP3 H120160 -3.578 -3.574 -2.467 4617TIP3 H220161 -3.480 -3.588 -2.353 4618TIP3 OH220162 -3.220 -3.338 -0.616 4618TIP3 H120163 -3.129 -3.355 -0.646 4618TIP3 H220164 -3.242 -3.422 -0.573 4619TIP3 OH220165 -2.625 -3.332 -2.438 4619TIP3 H120166 -2.636 -3.373 -2.525 4619TIP3 H220167 -2.635 -3.237 -2.461 4620TIP3 OH220168 -3.694 -3.882 -0.859 4620TIP3 H120169 -3.681 -3.946 -0.932 4620TIP3 H220170 -3.712 -3.800 -0.909 4621TIP3 OH220171 -3.652 -4.038 -1.117 4621TIP3 H120172 -3.599 -3.982 -1.178 4621TIP3 H220173 -3.743 -4.026 -1.152 4622TIP3 OH220174 -3.507 -3.490 -1.071 4622TIP3 H120175 -3.421 -3.499 -1.114 4622TIP3 H220176 -3.533 -3.401 -1.101 4623TIP3 OH220177 -3.046 -3.693 -0.593 4623TIP3 H120178 -3.023 -3.786 -0.578 4623TIP3 H220179 -2.958 -3.652 -0.598 4624TIP3 OH220180 -2.948 -3.415 -0.745 4624TIP3 H120181 -2.981 -3.353 -0.813 4624TIP3 H220182 -2.857 -3.428 -0.779 4625TIP3 OH220183 -3.879 -3.690 -0.681 4625TIP3 H120184 -3.930 -3.773 -0.679 4625TIP3 H220185 -3.795 -3.720 -0.720 4626TIP3 OH220186 -3.607 -4.277 -0.994 4626TIP3 H120187 -3.591 -4.188 -1.030 4626TIP3 H220188 -3.699 -4.287 -1.019 4627TIP3 OH220189 -3.457 -3.844 -0.699 4627TIP3 H120190 -3.487 -3.871 -0.611 4627TIP3 H220191 -3.538 -3.864 -0.751 4628TIP3 OH220192 -3.198 -3.945 -0.801 4628TIP3 H120193 -3.287 -3.931 -0.764 4628TIP3 H220194 -3.160 -4.010 -0.739 4629TIP3 OH220195 -3.027 -4.137 -0.633 4629TIP3 H120196 -3.040 -4.224 -0.594 4629TIP3 H220197 -3.039 -4.077 -0.558 4630TIP3 OH220198 -4.011 -3.951 -0.693 4630TIP3 H120199 -4.024 -4.022 -0.758 4630TIP3 H220200 -4.037 -3.994 -0.610 4631TIP3 OH220201 -3.495 -4.146 -0.589 4631TIP3 H120202 -3.516 -4.229 -0.636 4631TIP3 H220203 -3.580 -4.100 -0.585 4632TIP3 OH220204 -3.599 -2.461 -2.261 4632TIP3 H120205 -3.504 -2.448 -2.247 4632TIP3 H220206 -3.611 -2.414 -2.344 4633TIP3 OH220207 -4.199 -2.970 -2.352 4633TIP3 H120208 -4.121 -2.975 -2.294 4633TIP3 H220209 -4.216 -3.063 -2.373 4634TIP3 OH220210 -4.272 -2.690 -1.640 4634TIP3 H120211 -4.276 -2.780 -1.603 4634TIP3 H220212 -4.243 -2.639 -1.564 4635TIP3 OH220213 -2.513 -2.540 -1.334 4635TIP3 H120214 -2.501 -2.586 -1.249 4635TIP3 H220215 -2.423 -2.545 -1.369 4636TIP3 OH220216 -2.528 -2.627 -1.041 4636TIP3 H120217 -2.576 -2.701 -1.084 4636TIP3 H220218 -2.467 -2.678 -0.985 4637TIP3 OH220219 -2.726 -3.084 -0.616 4637TIP3 H120220 -2.814 -3.075 -0.576 4637TIP3 H220221 -2.680 -3.003 -0.587 4638TIP3 OH220222 -2.585 -3.195 -2.044 4638TIP3 H120223 -2.495 -3.162 -2.026 4638TIP3 H220224 -2.594 -3.258 -1.970 4639TIP3 OH220225 -2.541 -3.400 -1.850 4639TIP3 H120226 -2.606 -3.454 -1.802 4639TIP3 H220227 -2.472 -3.384 -1.782 4640TIP3 OH220228 -2.695 -2.853 -1.115 4640TIP3 H120229 -2.778 -2.821 -1.075 4640TIP3 H220230 -2.725 -2.889 -1.201 4641TIP3 OH220231 -2.513 -3.455 -2.189 4641TIP3 H120232 -2.565 -3.423 -2.266 4641TIP3 H220233 -2.527 -3.382 -2.126 4642TIP3 OH220234 -2.690 -3.698 -2.363 4642TIP3 H120235 -2.660 -3.638 -2.432 4642TIP3 H220236 -2.712 -3.779 -2.412 4643TIP3 OH220237 -2.750 -3.584 -1.765 4643TIP3 H120238 -2.755 -3.679 -1.781 4643TIP3 H220239 -2.784 -3.575 -1.674 4644TIP3 OH220240 -2.687 -3.393 -0.849 4644TIP3 H120241 -2.612 -3.453 -0.834 4644TIP3 H220242 -2.643 -3.310 -0.872 4645TIP3 OH220243 -2.532 -3.584 -0.725 4645TIP3 H120244 -2.610 -3.637 -0.751 4645TIP3 H220245 -2.461 -3.650 -0.729 4646TIP3 OH220246 -2.745 -3.969 -2.446 4646TIP3 H120247 -2.685 -4.012 -2.383 4646TIP3 H220248 -2.827 -4.019 -2.434 4647TIP3 OH220249 -2.765 -3.828 -1.946 4647TIP3 H120250 -2.746 -3.924 -1.940 4647TIP3 H220251 -2.682 -3.797 -1.986 4648TIP3 OH220252 -2.737 -3.774 -1.406 4648TIP3 H120253 -2.640 -3.766 -1.409 4648TIP3 H220254 -2.751 -3.774 -1.310 4649TIP3 OH220255 -2.723 -3.705 -1.120 4649TIP3 H120256 -2.806 -3.662 -1.095 4649TIP3 H220257 -2.667 -3.629 -1.144 4650TIP3 OH220258 -4.285 -3.840 -0.760 4650TIP3 H120259 -4.196 -3.880 -0.758 4650TIP3 H220260 -4.344 -3.914 -0.739 4651TIP3 OH220261 -2.507 -4.277 -0.543 4651TIP3 H120262 -2.455 -4.355 -0.566 4651TIP3 H220263 -2.505 -4.218 -0.621 4652TIP3 OH220264 -2.733 -4.099 -1.937 4652TIP3 H120265 -2.708 -4.149 -1.857 4652TIP3 H220266 -2.795 -4.161 -1.980 4653TIP3 OH220267 -4.195 -3.991 -1.457 4653TIP3 H120268 -4.160 -4.082 -1.444 4653TIP3 H220269 -4.118 -3.937 -1.432 4654TIP3 OH220270 -4.312 -3.741 -1.352 4654TIP3 H120271 -4.292 -3.797 -1.428 4654TIP3 H220272 -4.316 -3.654 -1.392 4655TIP3 OH220273 -2.528 -4.112 -0.758 4655TIP3 H120274 -2.612 -4.064 -0.751 4655TIP3 H220275 -2.536 -4.146 -0.849 4656TIP3 OH220276 -2.521 -4.056 -2.280 4656TIP3 H120277 -2.502 -4.143 -2.321 4656TIP3 H220278 -2.434 -4.015 -2.273 4657TIP3 OH220279 -4.316 -4.107 -2.005 4657TIP3 H120280 -4.399 -4.070 -2.037 4657TIP3 H220281 -4.253 -4.038 -2.035 4658TIP3 OH220282 -2.828 -2.564 -1.751 4658TIP3 H120283 -2.784 -2.592 -1.833 4658TIP3 H220284 -2.753 -2.538 -1.697 4659TIP3 OH220285 -4.290 -4.163 -1.170 4659TIP3 H120286 -4.346 -4.221 -1.114 4659TIP3 H220287 -4.331 -4.171 -1.257 4660TIP3 OH220288 -4.118 -2.862 -0.703 4660TIP3 H120289 -4.169 -2.926 -0.754 4660TIP3 H220290 -4.132 -2.896 -0.612 4661TIP3 OH220291 -3.802 -2.797 -1.113 4661TIP3 H120292 -3.832 -2.712 -1.151 4661TIP3 H220293 -3.706 -2.789 -1.130 4662TIP3 OH220294 -3.353 -2.667 -0.812 4662TIP3 H120295 -3.335 -2.685 -0.719 4662TIP3 H220296 -3.270 -2.623 -0.839 4663TIP3 OH220297 -3.125 -2.522 -0.889 4663TIP3 H120298 -3.054 -2.583 -0.915 4663TIP3 H220299 -3.092 -2.491 -0.802 4664TIP3 OH220300 -2.666 -4.277 -0.968 4664TIP3 H120301 -2.716 -4.215 -1.024 4664TIP3 H220302 -2.641 -4.343 -1.035 4665TIP3 OH220303 -4.071 -2.493 -1.089 4665TIP3 H120304 -4.139 -2.441 -1.137 4665TIP3 H220305 -4.101 -2.484 -0.998 4666TIP3 OH220306 -3.819 -2.525 -1.225 4666TIP3 H120307 -3.905 -2.505 -1.183 4666TIP3 H220308 -3.814 -2.458 -1.295 4667TIP3 OH220309 -3.343 -2.526 -1.269 4667TIP3 H120310 -3.378 -2.480 -1.347 4667TIP3 H220311 -3.331 -2.451 -1.207 4668TIP3 OH220312 -3.108 -2.655 -1.175 4668TIP3 H120313 -3.191 -2.618 -1.211 4668TIP3 H220314 -3.048 -2.579 -1.181 4669TIP3 OH220315 -2.858 -2.482 -1.158 4669TIP3 H120316 -2.858 -2.388 -1.184 4669TIP3 H220317 -2.826 -2.524 -1.239 4670TIP3 OH220318 -4.128 -2.621 -1.392 4670TIP3 H120319 -4.133 -2.662 -1.304 4670TIP3 H220320 -4.048 -2.663 -1.428 4671TIP3 OH220321 -3.910 -2.743 -1.538 4671TIP3 H120322 -3.923 -2.837 -1.513 4671TIP3 H220323 -3.819 -2.727 -1.508 4672TIP3 OH220324 -3.633 -2.701 -1.453 4672TIP3 H120325 -3.611 -2.793 -1.477 4672TIP3 H220326 -3.622 -2.705 -1.357 4673TIP3 OH220327 -3.301 -4.112 -1.526 4673TIP3 H120328 -3.363 -4.182 -1.497 4673TIP3 H220329 -3.239 -4.161 -1.582 4674TIP3 OH220330 -2.772 -4.332 -1.480 4674TIP3 H120331 -2.712 -4.289 -1.544 4674TIP3 H220332 -2.859 -4.303 -1.512 4675TIP3 OH220333 -2.579 -4.224 -1.699 4675TIP3 H120334 -2.519 -4.245 -1.771 4675TIP3 H220335 -2.557 -4.130 -1.683 4676TIP3 OH220336 -4.073 -4.282 -1.793 4676TIP3 H120337 -4.160 -4.317 -1.816 4676TIP3 H220338 -4.026 -4.359 -1.760 4677TIP3 OH220339 -4.208 -4.301 -2.186 4677TIP3 H120340 -4.169 -4.235 -2.246 4677TIP3 H220341 -4.259 -4.244 -2.126 4678TIP3 OH220342 -3.615 -4.219 -1.761 4678TIP3 H120343 -3.523 -4.233 -1.788 4678TIP3 H220344 -3.634 -4.298 -1.708 4679TIP3 OH220345 -3.062 -4.264 -1.631 4679TIP3 H120346 -3.025 -4.261 -1.720 4679TIP3 H220347 -3.072 -4.359 -1.613 4680TIP3 OH220348 -2.950 -4.272 -2.031 4680TIP3 H120349 -3.025 -4.213 -2.054 4680TIP3 H220350 -2.989 -4.360 -2.037 4681TIP3 OH220351 -4.189 -2.692 -2.083 4681TIP3 H120352 -4.249 -2.710 -2.156 4681TIP3 H220353 -4.182 -2.596 -2.086 4682TIP3 OH220354 -4.009 -4.113 -2.326 4682TIP3 H120355 -3.944 -4.157 -2.383 4682TIP3 H220356 -3.950 -4.070 -2.261 4683TIP3 OH220357 -3.493 -4.059 -2.095 4683TIP3 H120358 -3.482 -4.143 -2.046 4683TIP3 H220359 -3.470 -3.991 -2.029 4684TIP3 OH220360 -3.297 -2.515 -2.250 4684TIP3 H120361 -3.200 -2.511 -2.256 4684TIP3 H220362 -3.315 -2.581 -2.319 4685TIP3 OH220363 -2.647 -2.610 -1.994 4685TIP3 H120364 -2.669 -2.693 -2.039 4685TIP3 H220365 -2.650 -2.546 -2.067 4686TIP3 OH220366 -4.106 -4.171 -0.847 4686TIP3 H120367 -4.160 -4.238 -0.800 4686TIP3 H220368 -4.026 -4.224 -0.861 4687TIP3 OH220369 -3.808 -4.278 -0.587 4687TIP3 H120370 -3.722 -4.304 -0.627 4687TIP3 H220371 -3.828 -4.355 -0.533 4688TIP3 OH220372 -4.013 -2.593 -2.386 4688TIP3 H120373 -4.040 -2.574 -2.295 4688TIP3 H220374 -3.940 -2.657 -2.373 4689TIP3 OH220375 -2.697 -2.734 -0.753 4689TIP3 H120376 -2.768 -2.753 -0.817 4689TIP3 H220377 -2.712 -2.640 -0.737 4690TIP3 OH220378 -1.272 -3.367 -1.745 4690TIP3 H120379 -1.276 -3.272 -1.727 4690TIP3 H220380 -1.353 -3.380 -1.797 4691TIP3 OH220381 -1.388 -3.423 -1.436 4691TIP3 H120382 -1.390 -3.475 -1.354 4691TIP3 H220383 -1.419 -3.488 -1.501 4692TIP3 OH220384 -2.143 -3.464 -1.270 4692TIP3 H120385 -2.146 -3.537 -1.206 4692TIP3 H220386 -2.074 -3.408 -1.232 4693TIP3 OH220387 -1.019 -3.146 -1.602 4693TIP3 H120388 -1.057 -3.217 -1.549 4693TIP3 H220389 -0.993 -3.084 -1.531 4694TIP3 OH220390 -2.060 -2.991 -1.420 4694TIP3 H120391 -2.106 -3.075 -1.440 4694TIP3 H220392 -1.972 -3.023 -1.398 4695TIP3 OH220393 -2.376 -3.665 -1.881 4695TIP3 H120394 -2.409 -3.575 -1.864 4695TIP3 H220395 -2.453 -3.707 -1.921 4696TIP3 OH220396 -2.300 -3.418 -1.701 4696TIP3 H120397 -2.285 -3.489 -1.636 4696TIP3 H220398 -2.211 -3.402 -1.735 4697TIP3 OH220399 -1.308 -2.606 -1.544 4697TIP3 H120400 -1.257 -2.684 -1.573 4697TIP3 H220401 -1.346 -2.638 -1.461 4698TIP3 OH220402 -1.539 -3.172 -1.380 4698TIP3 H120403 -1.506 -3.245 -1.434 4698TIP3 H220404 -1.460 -3.156 -1.325 4699TIP3 OH220405 -0.685 -4.017 -1.322 4699TIP3 H120406 -0.653 -3.974 -1.241 4699TIP3 H220407 -0.619 -3.985 -1.386 4700TIP3 OH220408 -1.211 -3.740 -1.326 4700TIP3 H120409 -1.192 -3.836 -1.325 4700TIP3 H220410 -1.221 -3.724 -1.421 4701TIP3 OH220411 -1.916 -3.941 -1.617 4701TIP3 H120412 -1.899 -3.856 -1.661 4701TIP3 H220413 -1.949 -3.994 -1.692 4702TIP3 OH220414 -1.126 -3.922 -1.784 4702TIP3 H120415 -1.066 -3.965 -1.720 4702TIP3 H220416 -1.062 -3.877 -1.841 4703TIP3 OH220417 -2.245 -3.666 -1.567 4703TIP3 H120418 -2.183 -3.713 -1.510 4703TIP3 H220419 -2.234 -3.713 -1.652 4704TIP3 OH220420 -1.706 -3.525 -1.625 4704TIP3 H120421 -1.636 -3.580 -1.583 4704TIP3 H220422 -1.757 -3.592 -1.672 4705TIP3 OH220423 -0.592 -3.849 -1.059 4705TIP3 H120424 -0.668 -3.796 -1.089 4705TIP3 H220425 -0.627 -3.886 -0.976 4706TIP3 OH220426 -2.036 -4.057 -1.202 4706TIP3 H120427 -2.068 -4.000 -1.273 4706TIP3 H220428 -2.102 -4.036 -1.133 4707TIP3 OH220429 -1.277 -3.075 -1.868 4707TIP3 H120430 -1.323 -3.108 -1.946 4707TIP3 H220431 -1.328 -2.996 -1.845 4708TIP3 OH220432 -1.743 -3.270 -1.193 4708TIP3 H120433 -1.815 -3.210 -1.164 4708TIP3 H220434 -1.679 -3.207 -1.232 4709TIP3 OH220435 -0.936 -4.014 -1.581 4709TIP3 H120436 -0.987 -4.060 -1.513 4709TIP3 H220437 -0.886 -3.950 -1.528 4710TIP3 OH220438 -2.073 -3.858 -1.406 4710TIP3 H120439 -2.012 -3.795 -1.362 4710TIP3 H220440 -2.016 -3.890 -1.479 4711TIP3 OH220441 -1.943 -3.082 -1.117 4711TIP3 H120442 -1.944 -2.989 -1.149 4711TIP3 H220443 -2.030 -3.085 -1.074 4712TIP3 OH220444 -2.308 -3.113 -2.032 4712TIP3 H120445 -2.331 -3.059 -2.109 4712TIP3 H220446 -2.291 -3.046 -1.962 4713TIP3 OH220447 -0.967 -2.964 -1.366 4713TIP3 H120448 -1.062 -2.949 -1.352 4713TIP3 H220449 -0.938 -2.874 -1.388 4714TIP3 OH220450 -0.922 -4.112 -1.181 4714TIP3 H120451 -1.003 -4.078 -1.223 4714TIP3 H220452 -0.856 -4.096 -1.251 4715TIP3 OH220453 -1.612 4.381 -1.477 4715TIP3 H120454 -1.616 4.285 -1.469 4715TIP3 H220455 -1.700 4.412 -1.447 4716TIP3 OH220456 -1.137 -2.782 -1.685 4716TIP3 H120457 -1.090 -2.859 -1.723 4716TIP3 H220458 -1.084 -2.708 -1.716 4717TIP3 OH220459 -0.987 -2.989 -1.838 4717TIP3 H120460 -1.048 -3.035 -1.898 4717TIP3 H220461 -0.992 -3.048 -1.760 4718TIP3 OH220462 -0.847 -3.105 -0.986 4718TIP3 H120463 -0.845 -3.166 -1.061 4718TIP3 H220464 -0.822 -3.020 -1.025 4719TIP3 OH220465 -1.410 -3.415 -2.015 4719TIP3 H120466 -1.477 -3.355 -2.051 4719TIP3 H220467 -1.340 -3.410 -2.082 4720TIP3 OH220468 -1.381 -3.594 -2.312 4720TIP3 H120469 -1.312 -3.565 -2.249 4720TIP3 H220470 -1.330 -3.654 -2.368 4721TIP3 OH220471 -0.661 -3.490 -1.193 4721TIP3 H120472 -0.733 -3.425 -1.182 4721TIP3 H220473 -0.613 -3.452 -1.269 4722TIP3 OH220474 -1.057 -3.414 -1.908 4722TIP3 H120475 -1.127 -3.392 -1.842 4722TIP3 H220476 -0.999 -3.471 -1.855 4723TIP3 OH220477 -1.075 -3.563 -1.025 4723TIP3 H120478 -1.068 -3.484 -0.969 4723TIP3 H220479 -1.138 -3.529 -1.090 4724TIP3 OH220480 -1.897 -3.337 -1.732 4724TIP3 H120481 -1.929 -3.382 -1.812 4724TIP3 H220482 -1.833 -3.402 -1.697 4725TIP3 OH220483 -1.757 -2.994 -1.459 4725TIP3 H120484 -1.773 -3.039 -1.542 4725TIP3 H220485 -1.680 -3.042 -1.423 4726TIP3 OH220486 -1.838 -3.461 -1.380 4726TIP3 H120487 -1.783 -3.452 -1.459 4726TIP3 H220488 -1.804 -3.390 -1.322 4727TIP3 OH220489 -1.245 -2.897 -1.318 4727TIP3 H120490 -1.237 -2.836 -1.243 4727TIP3 H220491 -1.269 -2.981 -1.276 4728TIP3 OH220492 -1.752 -3.023 -0.897 4728TIP3 H120493 -1.798 -2.957 -0.843 4728TIP3 H220494 -1.819 -3.043 -0.966 4729TIP3 OH220495 -1.161 -3.472 -2.162 4729TIP3 H120496 -1.116 -3.443 -2.080 4729TIP3 H220497 -1.112 -3.419 -2.229 4730TIP3 OH220498 -2.062 -3.387 -0.985 4730TIP3 H120499 -2.056 -3.327 -0.908 4730TIP3 H220500 -2.159 -3.396 -0.994 4731TIP3 OH220501 -1.409 -2.808 -1.811 4731TIP3 H120502 -1.369 -2.781 -1.728 4731TIP3 H220503 -1.465 -2.732 -1.834 4732TIP3 OH220504 -1.939 -2.792 -0.806 4732TIP3 H120505 -1.951 -2.796 -0.902 4732TIP3 H220506 -2.023 -2.826 -0.770 4733TIP3 OH220507 -0.843 -4.322 -2.241 4733TIP3 H120508 -0.889 -4.324 -2.155 4733TIP3 H220509 -0.765 -4.269 -2.217 4734TIP3 OH220510 -2.005 -3.464 -1.978 4734TIP3 H120511 -2.027 -3.387 -2.032 4734TIP3 H220512 -2.074 -3.527 -2.002 4735TIP3 OH220513 -0.680 -2.880 -2.359 4735TIP3 H120514 -0.666 -2.786 -2.335 4735TIP3 H220515 -0.594 -2.920 -2.336 4736TIP3 OH220516 -2.413 -3.194 -1.108 4736TIP3 H120517 -2.434 -3.185 -1.203 4736TIP3 H220518 -2.395 -3.289 -1.100 4737TIP3 OH220519 -0.631 -2.843 -0.860 4737TIP3 H120520 -0.569 -2.908 -0.825 4737TIP3 H220521 -0.676 -2.813 -0.781 4738TIP3 OH220522 -1.495 -2.884 -0.940 4738TIP3 H120523 -1.484 -2.813 -0.874 4738TIP3 H220524 -1.579 -2.924 -0.912 4739TIP3 OH220525 -1.467 -2.535 -1.959 4739TIP3 H120526 -1.468 -2.527 -2.056 4739TIP3 H220527 -1.455 -2.443 -1.930 4740TIP3 OH220528 -2.081 -2.625 -1.794 4740TIP3 H120529 -2.067 -2.670 -1.708 4740TIP3 H220530 -2.166 -2.662 -1.820 4741TIP3 OH220531 -1.132 -2.591 -2.242 4741TIP3 H120532 -1.077 -2.662 -2.282 4741TIP3 H220533 -1.132 -2.616 -2.148 4742TIP3 OH220534 -1.185 -2.616 -1.944 4742TIP3 H120535 -1.282 -2.611 -1.946 4742TIP3 H220536 -1.172 -2.707 -1.916 4743TIP3 OH220537 -0.877 -3.710 -0.794 4743TIP3 H120538 -0.929 -3.668 -0.864 4743TIP3 H220539 -0.871 -3.802 -0.826 4744TIP3 OH220540 -2.188 -3.040 -0.975 4744TIP3 H120541 -2.156 -3.092 -0.899 4744TIP3 H220542 -2.257 -3.095 -1.015 4745TIP3 OH220543 -1.860 -4.220 -1.387 4745TIP3 H120544 -1.943 -4.242 -1.433 4745TIP3 H220545 -1.884 -4.136 -1.346 4746TIP3 OH220546 -1.405 -4.264 -1.031 4746TIP3 H120547 -1.386 -4.307 -0.948 4746TIP3 H220548 -1.500 -4.277 -1.041 4747TIP3 OH220549 -1.107 -3.863 -0.989 4747TIP3 H120550 -1.166 -3.874 -0.912 4747TIP3 H220551 -1.113 -3.768 -1.007 4748TIP3 OH220552 -1.008 -3.361 -2.362 4748TIP3 H120553 -1.028 -3.379 -2.455 4748TIP3 H220554 -0.913 -3.337 -2.368 4749TIP3 OH220555 -1.443 -3.993 -2.316 4749TIP3 H120556 -1.497 -4.004 -2.235 4749TIP3 H220557 -1.492 -4.054 -2.376 4750TIP3 OH220558 -1.877 -3.716 -1.262 4750TIP3 H120559 -1.935 -3.702 -1.186 4750TIP3 H220560 -1.867 -3.625 -1.298 4751TIP3 OH220561 -1.882 -3.709 -1.773 4751TIP3 H120562 -1.978 -3.717 -1.789 4751TIP3 H220563 -1.847 -3.727 -1.862 4752TIP3 OH220564 -1.320 -3.652 -1.897 4752TIP3 H120565 -1.361 -3.569 -1.929 4752TIP3 H220566 -1.254 -3.668 -1.966 4753TIP3 OH220567 -1.401 -3.634 -0.767 4753TIP3 H120568 -1.452 -3.705 -0.725 4753TIP3 H220569 -1.315 -3.642 -0.721 4754TIP3 OH220570 -1.235 -3.711 -1.618 4754TIP3 H120571 -1.265 -3.654 -1.691 4754TIP3 H220572 -1.215 -3.792 -1.669 4755TIP3 OH220573 -2.140 -3.697 -1.081 4755TIP3 H120574 -2.112 -3.666 -0.994 4755TIP3 H220575 -2.179 -3.784 -1.059 4756TIP3 OH220576 -1.804 -3.942 -2.421 4756TIP3 H120577 -1.838 -3.977 -2.337 4756TIP3 H220578 -1.884 -3.929 -2.473 4757TIP3 OH220579 -2.462 -3.961 -1.715 4757TIP3 H120580 -2.404 -3.954 -1.636 4757TIP3 H220581 -2.402 -3.992 -1.783 4758TIP3 OH220582 -2.301 -3.912 -2.144 4758TIP3 H120583 -2.245 -3.861 -2.206 4758TIP3 H220584 -2.371 -3.846 -2.124 4759TIP3 OH220585 -1.328 -3.543 -1.175 4759TIP3 H120586 -1.282 -3.616 -1.222 4759TIP3 H220587 -1.357 -3.587 -1.094 4760TIP3 OH220588 -1.605 -3.944 -1.675 4760TIP3 H120589 -1.699 -3.958 -1.654 4760TIP3 H220590 -1.562 -3.971 -1.593 4761TIP3 OH220591 -2.149 -3.828 -1.803 4761TIP3 H120592 -2.229 -3.797 -1.850 4761TIP3 H220593 -2.122 -3.908 -1.852 4762TIP3 OH220594 -1.786 -3.792 -2.035 4762TIP3 H120595 -1.689 -3.784 -2.030 4762TIP3 H220596 -1.811 -3.732 -2.107 4763TIP3 OH220597 -1.170 -4.033 -1.371 4763TIP3 H120598 -1.232 -4.034 -1.295 4763TIP3 H220599 -1.230 -4.064 -1.442 4764TIP3 OH220600 -1.939 -3.672 -2.259 4764TIP3 H120601 -1.997 -3.696 -2.333 4764TIP3 H220602 -1.857 -3.649 -2.307 4765TIP3 OH220603 -2.075 -3.197 -0.762 4765TIP3 H120604 -2.006 -3.189 -0.692 4765TIP3 H220605 -2.154 -3.193 -0.705 4766TIP3 OH220606 -1.503 -3.694 -1.489 4766TIP3 H120607 -1.431 -3.738 -1.535 4766TIP3 H220608 -1.520 -3.755 -1.415 4767TIP3 OH220609 -1.991 -4.066 -1.869 4767TIP3 H120610 -2.034 -4.152 -1.854 4767TIP3 H220611 -1.904 -4.094 -1.902 4768TIP3 OH220612 -1.607 -3.849 -1.263 4768TIP3 H120613 -1.682 -3.788 -1.263 4768TIP3 H220614 -1.557 -3.821 -1.183 4769TIP3 OH220615 -1.592 -3.210 -2.075 4769TIP3 H120616 -1.668 -3.260 -2.110 4769TIP3 H220617 -1.613 -3.204 -1.979 4770TIP3 OH220618 -0.868 -3.297 -1.204 4770TIP3 H120619 -0.820 -3.240 -1.268 4770TIP3 H220620 -0.955 -3.305 -1.247 4771TIP3 OH220621 -1.176 -3.928 -2.315 4771TIP3 H120622 -1.273 -3.938 -2.310 4771TIP3 H220623 -1.157 -3.863 -2.245 4772TIP3 OH220624 -1.434 -3.200 -0.944 4772TIP3 H120625 -1.456 -3.235 -0.856 4772TIP3 H220626 -1.460 -3.108 -0.936 4773TIP3 OH220627 -1.110 -3.750 -2.100 4773TIP3 H120628 -1.024 -3.763 -2.055 4773TIP3 H220629 -1.100 -3.660 -2.136 4774TIP3 OH220630 -2.077 -3.272 -1.491 4774TIP3 H120631 -2.021 -3.281 -1.570 4774TIP3 H220632 -2.072 -3.360 -1.451 4775TIP3 OH220633 -1.354 -3.072 -2.186 4775TIP3 H120634 -1.378 -2.987 -2.143 4775TIP3 H220635 -1.427 -3.129 -2.155 4776TIP3 OH220636 -2.353 -3.443 -0.965 4776TIP3 H120637 -2.336 -3.489 -0.881 4776TIP3 H220638 -2.411 -3.505 -1.012 4777TIP3 OH220639 -1.656 -3.495 -0.767 4777TIP3 H120640 -1.689 -3.516 -0.856 4777TIP3 H220641 -1.561 -3.517 -0.777 4778TIP3 OH220642 -1.201 -2.946 -0.990 4778TIP3 H120643 -1.295 -2.924 -0.989 4778TIP3 H220644 -1.174 -2.922 -0.899 4779TIP3 OH220645 -0.648 -3.747 -2.119 4779TIP3 H120646 -0.705 -3.766 -2.196 4779TIP3 H220647 -0.637 -3.651 -2.132 4780TIP3 OH220648 -0.609 -3.158 -0.836 4780TIP3 H120649 -0.694 -3.111 -0.850 4780TIP3 H220650 -0.567 -3.143 -0.923 4781TIP3 OH220651 -0.827 -2.879 -2.105 4781TIP3 H120652 -0.855 -2.957 -2.054 4781TIP3 H220653 -0.778 -2.919 -2.178 4782TIP3 OH220654 -1.103 -3.349 -1.373 4782TIP3 H120655 -1.197 -3.365 -1.394 4782TIP3 H220656 -1.060 -3.422 -1.420 4783TIP3 OH220657 -1.839 -2.944 -1.776 4783TIP3 H120658 -1.801 -2.855 -1.778 4783TIP3 H220659 -1.933 -2.926 -1.783 4784TIP3 OH220660 -2.242 -3.462 -2.307 4784TIP3 H120661 -2.184 -3.395 -2.266 4784TIP3 H220662 -2.329 -3.436 -2.271 4785TIP3 OH220663 -1.657 -3.171 -1.807 4785TIP3 H120664 -1.691 -3.082 -1.792 4785TIP3 H220665 -1.725 -3.224 -1.763 4786TIP3 OH220666 -1.638 -2.751 -1.169 4786TIP3 H120667 -1.582 -2.677 -1.196 4786TIP3 H220668 -1.580 -2.796 -1.105 4787TIP3 OH220669 -1.796 -2.651 -1.848 4787TIP3 H120670 -1.892 -2.641 -1.835 4787TIP3 H220671 -1.763 -2.564 -1.821 4788TIP3 OH220672 -1.302 -3.172 -1.215 4788TIP3 H120673 -1.329 -3.193 -1.124 4788TIP3 H220674 -1.225 -3.230 -1.226 4789TIP3 OH220675 -1.082 -3.039 -2.319 4789TIP3 H120676 -1.042 -3.089 -2.245 4789TIP3 H220677 -1.175 -3.053 -2.298 4790TIP3 OH220678 -0.979 -2.710 -0.961 4790TIP3 H120679 -1.066 -2.742 -0.988 4790TIP3 H220680 -0.976 -2.619 -0.993 4791TIP3 OH220681 -0.614 -2.612 -2.269 4791TIP3 H120682 -0.546 -2.547 -2.293 4791TIP3 H220683 -0.690 -2.553 -2.260 4792TIP3 OH220684 -2.220 -3.961 -1.007 4792TIP3 H120685 -2.310 -3.942 -1.039 4792TIP3 H220686 -2.236 -4.048 -0.964 4793TIP3 OH220687 -0.986 -3.180 -2.085 4793TIP3 H120688 -1.016 -3.251 -2.024 4793TIP3 H220689 -0.890 -3.182 -2.071 4794TIP3 OH220690 -2.243 -2.789 -1.159 4794TIP3 H120691 -2.236 -2.884 -1.173 4794TIP3 H220692 -2.207 -2.780 -1.071 4795TIP3 OH220693 -1.658 -2.937 -2.463 4795TIP3 H120694 -1.631 -3.017 -2.512 4795TIP3 H220695 -1.702 -2.976 -2.385 4796TIP3 OH220696 -1.772 -2.984 -2.195 4796TIP3 H120697 -1.728 -3.037 -2.128 4796TIP3 H220698 -1.761 -2.893 -2.159 4797TIP3 OH220699 -2.091 -3.241 -2.154 4797TIP3 H120700 -2.164 -3.204 -2.100 4797TIP3 H220701 -2.045 -3.159 -2.178 4798TIP3 OH220702 -1.327 -4.009 -1.143 4798TIP3 H120703 -1.268 -3.980 -1.073 4798TIP3 H220704 -1.365 -4.092 -1.107 4799TIP3 OH220705 -1.248 -4.058 -2.026 4799TIP3 H120706 -1.245 -3.996 -2.101 4799TIP3 H220707 -1.214 -4.002 -1.954 4800TIP3 OH220708 -1.474 -2.817 -2.129 4800TIP3 H120709 -1.559 -2.774 -2.109 4800TIP3 H220710 -1.449 -2.776 -2.213 4801TIP3 OH220711 -1.516 -3.852 -1.926 4801TIP3 H120712 -1.443 -3.788 -1.911 4801TIP3 H220713 -1.547 -3.868 -1.834 4802TIP3 OH220714 -1.485 -3.763 -1.014 4802TIP3 H120715 -1.477 -3.709 -0.933 4802TIP3 H220716 -1.425 -3.836 -0.994 4803TIP3 OH220717 -1.445 -4.173 -1.825 4803TIP3 H120718 -1.479 -4.097 -1.774 4803TIP3 H220719 -1.391 -4.129 -1.893 4804TIP3 OH220720 -1.758 -2.715 -2.129 4804TIP3 H120721 -1.766 -2.633 -2.182 4804TIP3 H220722 -1.774 -2.683 -2.039 4805TIP3 OH220723 -1.891 -4.050 -2.177 4805TIP3 H120724 -1.888 -3.969 -2.124 4805TIP3 H220725 -1.804 -4.088 -2.155 4806TIP3 OH220726 -0.846 -3.964 -0.932 4806TIP3 H120727 -0.942 -3.953 -0.942 4806TIP3 H220728 -0.825 -3.986 -1.024 4807TIP3 OH220729 -1.003 -3.575 -1.525 4807TIP3 H120730 -1.086 -3.619 -1.549 4807TIP3 H220731 -0.955 -3.645 -1.476 4808TIP3 OH220732 -2.047 -2.959 -2.278 4808TIP3 H120733 -1.974 -2.910 -2.236 4808TIP3 H220734 -1.997 -3.011 -2.342 4809TIP3 OH220735 -2.232 -3.744 -2.366 4809TIP3 H120736 -2.220 -3.650 -2.342 4809TIP3 H220737 -2.321 -3.743 -2.405 4810TIP3 OH220738 -0.911 -2.667 -1.382 4810TIP3 H120739 -0.900 -2.587 -1.436 4810TIP3 H220740 -0.824 -2.673 -1.340 4811TIP3 OH220741 -2.222 -4.244 -1.468 4811TIP3 H120742 -2.180 -4.241 -1.555 4811TIP3 H220743 -2.197 -4.334 -1.441 4812TIP3 OH220744 -2.252 -2.896 -1.867 4812TIP3 H120745 -2.323 -2.847 -1.822 4812TIP3 H220746 -2.218 -2.831 -1.930 4813TIP3 OH220747 -2.309 -2.597 -0.741 4813TIP3 H120748 -2.246 -2.635 -0.679 4813TIP3 H220749 -2.349 -2.679 -0.776 4814TIP3 OH220750 -1.437 -2.767 -2.412 4814TIP3 H120751 -1.514 -2.828 -2.423 4814TIP3 H220752 -1.367 -2.823 -2.450 4815TIP3 OH220753 -1.173 -2.875 -0.706 4815TIP3 H120754 -1.227 -2.944 -0.665 4815TIP3 H220755 -1.112 -2.853 -0.634 4816TIP3 OH220756 -0.974 -2.774 -2.401 4816TIP3 H120757 -0.963 -2.858 -2.352 4816TIP3 H220758 -0.895 -2.772 -2.457 4817TIP3 OH220759 -2.318 -3.236 -0.630 4817TIP3 H120760 -2.306 -3.325 -0.668 4817TIP3 H220761 -2.393 -3.204 -0.685 4818TIP3 OH220762 -1.894 -3.193 -2.430 4818TIP3 H120763 -1.879 -3.251 -2.354 4818TIP3 H220764 -1.807 -3.198 -2.474 4819TIP3 OH220765 -1.653 -3.214 -0.695 4819TIP3 H120766 -1.681 -3.178 -0.780 4819TIP3 H220767 -1.646 -3.310 -0.712 4820TIP3 OH220768 -1.368 -3.060 -2.468 4820TIP3 H120769 -1.376 -3.064 -2.371 4820TIP3 H220770 -1.375 -3.155 -2.490 4821TIP3 OH220771 -1.117 -3.251 -0.960 4821TIP3 H120772 -1.036 -3.197 -0.974 4821TIP3 H220773 -1.184 -3.181 -0.956 4822TIP3 OH220774 -2.231 -3.526 -0.714 4822TIP3 H120775 -2.154 -3.585 -0.712 4822TIP3 H220776 -2.234 -3.498 -0.621 4823TIP3 OH220777 -1.786 -3.384 -2.196 4823TIP3 H120778 -1.847 -3.434 -2.139 4823TIP3 H220779 -1.756 -3.454 -2.258 4824TIP3 OH220780 -1.865 -3.609 -0.971 4824TIP3 H120781 -1.918 -3.530 -0.951 4824TIP3 H220782 -1.799 -3.573 -1.033 4825TIP3 OH220783 -1.691 -3.583 -2.369 4825TIP3 H120784 -1.695 -3.576 -2.467 4825TIP3 H220785 -1.595 -3.587 -2.354 4826TIP3 OH220786 -1.337 -3.340 -0.619 4826TIP3 H120787 -1.244 -3.352 -0.642 4826TIP3 H220788 -1.357 -3.421 -0.570 4827TIP3 OH220789 -0.738 -3.331 -2.438 4827TIP3 H120790 -0.749 -3.375 -2.523 4827TIP3 H220791 -0.751 -3.237 -2.463 4828TIP3 OH220792 -1.806 -3.880 -0.860 4828TIP3 H120793 -1.796 -3.943 -0.932 4828TIP3 H220794 -1.825 -3.797 -0.908 4829TIP3 OH220795 -1.766 -4.038 -1.118 4829TIP3 H120796 -1.714 -3.981 -1.178 4829TIP3 H220797 -1.857 -4.025 -1.152 4830TIP3 OH220798 -1.617 -3.488 -1.071 4830TIP3 H120799 -1.533 -3.495 -1.119 4830TIP3 H220800 -1.648 -3.400 -1.101 4831TIP3 OH220801 -1.161 -3.694 -0.594 4831TIP3 H120802 -1.136 -3.786 -0.577 4831TIP3 H220803 -1.074 -3.651 -0.597 4832TIP3 OH220804 -1.059 -3.417 -0.749 4832TIP3 H120805 -1.095 -3.353 -0.813 4832TIP3 H220806 -0.968 -3.426 -0.783 4833TIP3 OH220807 -1.985 -3.697 -0.674 4833TIP3 H120808 -2.035 -3.780 -0.677 4833TIP3 H220809 -1.903 -3.722 -0.721 4834TIP3 OH220810 -1.720 -4.278 -0.995 4834TIP3 H120811 -1.706 -4.187 -1.031 4834TIP3 H220812 -1.814 -4.288 -1.018 4835TIP3 OH220813 -1.571 -3.846 -0.700 4835TIP3 H120814 -1.603 -3.870 -0.611 4835TIP3 H220815 -1.652 -3.863 -0.752 4836TIP3 OH220816 -1.314 -3.947 -0.803 4836TIP3 H120817 -1.402 -3.929 -0.765 4836TIP3 H220818 -1.276 -4.009 -0.739 4837TIP3 OH220819 -1.140 -4.138 -0.633 4837TIP3 H120820 -1.155 -4.224 -0.592 4837TIP3 H220821 -1.153 -4.076 -0.559 4838TIP3 OH220822 -2.103 -3.960 -0.689 4838TIP3 H120823 -2.131 -4.019 -0.761 4838TIP3 H220824 -2.151 -3.997 -0.613 4839TIP3 OH220825 -1.609 -4.149 -0.586 4839TIP3 H120826 -1.634 -4.228 -0.637 4839TIP3 H220827 -1.692 -4.097 -0.584 4840TIP3 OH220828 -1.714 -2.457 -2.259 4840TIP3 H120829 -1.618 -2.449 -2.250 4840TIP3 H220830 -1.729 -2.416 -2.344 4841TIP3 OH220831 -2.324 -3.018 -2.310 4841TIP3 H120832 -2.229 -3.001 -2.292 4841TIP3 H220833 -2.320 -3.099 -2.364 4842TIP3 OH220834 -2.421 -2.502 -1.834 4842TIP3 H120835 -2.495 -2.539 -1.886 4842TIP3 H220836 -2.411 -2.570 -1.764 4843TIP3 OH220837 -2.377 -2.701 -1.634 4843TIP3 H120838 -2.418 -2.785 -1.605 4843TIP3 H220839 -2.347 -2.670 -1.547 4844TIP3 OH220840 -0.629 -2.572 -1.332 4844TIP3 H120841 -0.624 -2.577 -1.234 4844TIP3 H220842 -0.537 -2.553 -1.355 4845TIP3 OH220843 -0.632 -2.612 -1.051 4845TIP3 H120844 -0.701 -2.679 -1.067 4845TIP3 H220845 -0.596 -2.649 -0.968 4846TIP3 OH220846 -0.823 -3.065 -0.598 4846TIP3 H120847 -0.917 -3.058 -0.572 4846TIP3 H220848 -0.786 -2.985 -0.557 4847TIP3 OH220849 -0.698 -3.195 -2.044 4847TIP3 H120850 -0.610 -3.164 -2.021 4847TIP3 H220851 -0.713 -3.259 -1.972 4848TIP3 OH220852 -0.654 -3.399 -1.847 4848TIP3 H120853 -0.724 -3.454 -1.805 4848TIP3 H220854 -0.588 -3.387 -1.776 4849TIP3 OH220855 -0.684 -3.150 -1.349 4849TIP3 H120856 -0.617 -3.195 -1.401 4849TIP3 H220857 -0.672 -3.057 -1.374 4850TIP3 OH220858 -0.810 -2.849 -1.136 4850TIP3 H120859 -0.869 -2.813 -1.066 4850TIP3 H220860 -0.871 -2.895 -1.195 4851TIP3 OH220861 -0.626 -3.451 -2.190 4851TIP3 H120862 -0.680 -3.426 -2.267 4851TIP3 H220863 -0.645 -3.379 -2.129 4852TIP3 OH220864 -0.802 -3.697 -2.363 4852TIP3 H120865 -0.774 -3.640 -2.436 4852TIP3 H220866 -0.827 -3.779 -2.409 4853TIP3 OH220867 -0.859 -3.583 -1.765 4853TIP3 H120868 -0.868 -3.678 -1.782 4853TIP3 H220869 -0.899 -3.575 -1.675 4854TIP3 OH220870 -2.390 -3.367 -1.385 4854TIP3 H120871 -2.382 -3.328 -1.474 4854TIP3 H220872 -2.297 -3.369 -1.357 4855TIP3 OH220873 -0.797 -3.390 -0.851 4855TIP3 H120874 -0.724 -3.451 -0.830 4855TIP3 H220875 -0.751 -3.306 -0.867 4856TIP3 OH220876 -0.645 -3.583 -0.729 4856TIP3 H120877 -0.724 -3.636 -0.751 4856TIP3 H220878 -0.575 -3.651 -0.730 4857TIP3 OH220879 -0.860 -3.967 -2.445 4857TIP3 H120880 -0.801 -4.013 -2.382 4857TIP3 H220881 -0.942 -4.018 -2.437 4858TIP3 OH220882 -0.878 -3.827 -1.946 4858TIP3 H120883 -0.861 -3.924 -1.939 4858TIP3 H220884 -0.795 -3.798 -1.987 4859TIP3 OH220885 -0.852 -3.774 -1.406 4859TIP3 H120886 -0.754 -3.767 -1.407 4859TIP3 H220887 -0.867 -3.775 -1.310 4860TIP3 OH220888 -0.838 -3.706 -1.122 4860TIP3 H120889 -0.921 -3.664 -1.094 4860TIP3 H220890 -0.782 -3.629 -1.142 4861TIP3 OH220891 -2.392 -3.836 -0.743 4861TIP3 H120892 -2.299 -3.857 -0.760 4861TIP3 H220893 -2.433 -3.924 -0.744 4862TIP3 OH220894 -0.620 -4.277 -0.543 4862TIP3 H120895 -0.572 -4.357 -0.568 4862TIP3 H220896 -0.620 -4.219 -0.622 4863TIP3 OH220897 -0.848 -4.099 -1.937 4863TIP3 H120898 -0.826 -4.149 -1.858 4863TIP3 H220899 -0.910 -4.159 -1.981 4864TIP3 OH220900 -2.316 -3.990 -1.476 4864TIP3 H120901 -2.284 -4.083 -1.463 4864TIP3 H220902 -2.242 -3.939 -1.437 4865TIP3 OH220903 -2.454 -3.730 -1.372 4865TIP3 H120904 -2.394 -3.729 -1.449 4865TIP3 H220905 -2.421 -3.654 -1.322 4866TIP3 OH220906 -0.642 -4.113 -0.758 4866TIP3 H120907 -0.726 -4.065 -0.749 4866TIP3 H220908 -0.652 -4.145 -0.850 4867TIP3 OH220909 -0.634 -4.056 -2.277 4867TIP3 H120910 -0.618 -4.142 -2.322 4867TIP3 H220911 -0.547 -4.015 -2.276 4868TIP3 OH220912 -2.401 -4.106 -1.970 4868TIP3 H120913 -2.496 -4.092 -1.984 4868TIP3 H220914 -2.361 -4.035 -2.023 4869TIP3 OH220915 -0.907 -2.529 -1.778 4869TIP3 H120916 -0.870 -2.600 -1.834 4869TIP3 H220917 -0.868 -2.550 -1.691 4870TIP3 OH220918 -2.422 -4.128 -1.113 4870TIP3 H120919 -2.425 -4.222 -1.087 4870TIP3 H220920 -2.444 -4.133 -1.207 4871TIP3 OH220921 -2.201 -2.893 -0.679 4871TIP3 H120922 -2.270 -2.900 -0.747 4871TIP3 H220923 -2.250 -2.907 -0.597 4872TIP3 OH220924 -1.916 -2.797 -1.106 4872TIP3 H120925 -1.949 -2.713 -1.141 4872TIP3 H220926 -1.821 -2.788 -1.126 4873TIP3 OH220927 -1.257 -2.526 -0.868 4873TIP3 H120928 -1.191 -2.595 -0.879 4873TIP3 H220929 -1.240 -2.495 -0.778 4874TIP3 OH220930 -0.779 -4.278 -0.969 4874TIP3 H120931 -0.828 -4.213 -1.022 4874TIP3 H220932 -0.764 -4.346 -1.036 4875TIP3 OH220933 -2.171 -2.490 -1.069 4875TIP3 H120934 -2.231 -2.435 -1.122 4875TIP3 H220935 -2.226 -2.510 -0.993 4876TIP3 OH220936 -1.919 -2.523 -1.218 4876TIP3 H120937 -2.005 -2.506 -1.173 4876TIP3 H220938 -1.919 -2.454 -1.287 4877TIP3 OH220939 -1.455 -2.529 -1.268 4877TIP3 H120940 -1.495 -2.476 -1.339 4877TIP3 H220941 -1.445 -2.462 -1.197 4878TIP3 OH220942 -1.203 -2.637 -1.170 4878TIP3 H120943 -1.295 -2.619 -1.195 4878TIP3 H220944 -1.166 -2.548 -1.166 4879TIP3 OH220945 -0.940 -2.446 -1.149 4879TIP3 H120946 -0.984 -2.369 -1.183 4879TIP3 H220947 -0.936 -2.508 -1.223 4880TIP3 OH220948 -2.221 -2.621 -1.383 4880TIP3 H120949 -2.233 -2.676 -1.302 4880TIP3 H220950 -2.151 -2.671 -1.427 4881TIP3 OH220951 -2.019 -2.749 -1.548 4881TIP3 H120952 -2.041 -2.839 -1.513 4881TIP3 H220953 -1.931 -2.735 -1.508 4882TIP3 OH220954 -1.740 -2.700 -1.454 4882TIP3 H120955 -1.727 -2.795 -1.474 4882TIP3 H220956 -1.737 -2.702 -1.357 4883TIP3 OH220957 -1.414 -4.112 -1.525 4883TIP3 H120958 -1.477 -4.182 -1.497 4883TIP3 H220959 -1.355 -4.161 -1.583 4884TIP3 OH220960 -0.886 -4.331 -1.479 4884TIP3 H120961 -0.827 -4.289 -1.544 4884TIP3 H220962 -0.973 -4.306 -1.511 4885TIP3 OH220963 -0.690 -4.226 -1.697 4885TIP3 H120964 -0.635 -4.244 -1.774 4885TIP3 H220965 -0.674 -4.131 -1.683 4886TIP3 OH220966 -2.178 -4.284 -1.796 4886TIP3 H120967 -2.270 -4.307 -1.813 4886TIP3 H220968 -2.143 -4.364 -1.757 4887TIP3 OH220969 -2.322 -4.291 -2.170 4887TIP3 H120970 -2.274 -4.243 -2.240 4887TIP3 H220971 -2.355 -4.217 -2.115 4888TIP3 OH220972 -1.731 -4.228 -1.767 4888TIP3 H120973 -1.636 -4.234 -1.787 4888TIP3 H220974 -1.742 -4.293 -1.697 4889TIP3 OH220975 -1.172 -4.265 -1.630 4889TIP3 H120976 -1.141 -4.263 -1.721 4889TIP3 H220977 -1.188 -4.359 -1.613 4890TIP3 OH220978 -1.063 -4.272 -2.035 4890TIP3 H120979 -1.139 -4.213 -2.053 4890TIP3 H220980 -1.104 -4.360 -2.035 4891TIP3 OH220981 -2.273 -2.695 -2.068 4891TIP3 H120982 -2.341 -2.707 -2.135 4891TIP3 H220983 -2.279 -2.599 -2.053 4892TIP3 OH220984 -2.128 -4.125 -2.326 4892TIP3 H120985 -2.057 -4.162 -2.382 4892TIP3 H220986 -2.076 -4.074 -2.262 4893TIP3 OH220987 -1.605 -4.060 -2.097 4893TIP3 H120988 -1.597 -4.144 -2.048 4893TIP3 H220989 -1.587 -3.992 -2.029 4894TIP3 OH220990 -1.411 -2.512 -2.254 4894TIP3 H120991 -1.314 -2.509 -2.255 4894TIP3 H220992 -1.428 -2.580 -2.320 4895TIP3 OH220993 -0.741 -2.619 -1.988 4895TIP3 H120994 -0.766 -2.703 -2.032 4895TIP3 H220995 -0.754 -2.555 -2.060 4896TIP3 OH220996 -2.217 -4.179 -0.846 4896TIP3 H120997 -2.260 -4.260 -0.814 4896TIP3 H220998 -2.128 -4.214 -0.859 4897TIP3 OH220999 -1.924 -4.279 -0.582 4897TIP3 H121000 -1.836 -4.304 -0.619 4897TIP3 H221001 -1.947 -4.358 -0.532 4898TIP3 OH221002 -2.132 -2.599 -2.384 4898TIP3 H121003 -2.159 -2.575 -2.295 4898TIP3 H221004 -2.057 -2.659 -2.368 4899TIP3 OH221005 0.607 -3.346 -1.800 4899TIP3 H121006 0.602 -3.254 -1.771 4899TIP3 H221007 0.525 -3.358 -1.849 4900TIP3 OH221008 -0.253 -3.461 -1.270 4900TIP3 H121009 -0.259 -3.536 -1.209 4900TIP3 H221010 -0.186 -3.408 -1.224 4901TIP3 OH221011 0.865 -3.152 -1.603 4901TIP3 H121012 0.812 -3.224 -1.564 4901TIP3 H221013 0.885 -3.097 -1.526 4902TIP3 OH221014 -0.185 -3.000 -1.431 4902TIP3 H121015 -0.213 -3.093 -1.439 4902TIP3 H221016 -0.101 -3.011 -1.384 4903TIP3 OH221017 -0.491 -3.658 -1.881 4903TIP3 H121018 -0.535 -3.572 -1.871 4903TIP3 H221019 -0.563 -3.712 -1.916 4904TIP3 OH221020 -0.400 -3.411 -1.701 4904TIP3 H121021 -0.403 -3.489 -1.643 4904TIP3 H221022 -0.317 -3.427 -1.747 4905TIP3 OH221023 0.569 -2.614 -1.548 4905TIP3 H121024 0.629 -2.686 -1.576 4905TIP3 H221025 0.543 -2.644 -1.460 4906TIP3 OH221026 0.348 -3.185 -1.387 4906TIP3 H121027 0.389 -3.257 -1.438 4906TIP3 H221028 0.425 -3.164 -1.332 4907TIP3 OH221029 1.204 -4.022 -1.319 4907TIP3 H121030 1.232 -3.970 -1.242 4907TIP3 H221031 1.263 -3.986 -1.387 4908TIP3 OH221032 0.676 -3.757 -1.330 4908TIP3 H121033 0.691 -3.849 -1.359 4908TIP3 H221034 0.659 -3.708 -1.411 4909TIP3 OH221035 -0.031 -3.942 -1.617 4909TIP3 H121036 -0.013 -3.856 -1.659 4909TIP3 H221037 -0.065 -3.992 -1.693 4910TIP3 OH221038 0.751 -3.925 -1.787 4910TIP3 H121039 0.806 -3.948 -1.711 4910TIP3 H221040 0.798 -3.850 -1.824 4911TIP3 OH221041 -0.359 -3.660 -1.571 4911TIP3 H121042 -0.299 -3.707 -1.510 4911TIP3 H221043 -0.350 -3.714 -1.651 4912TIP3 OH221044 0.176 -3.518 -1.623 4912TIP3 H121045 0.258 -3.564 -1.594 4912TIP3 H221046 0.131 -3.592 -1.669 4913TIP3 OH221047 1.294 -3.850 -1.057 4913TIP3 H121048 1.220 -3.796 -1.090 4913TIP3 H221049 1.256 -3.888 -0.977 4914TIP3 OH221050 -0.151 -4.057 -1.203 4914TIP3 H121051 -0.183 -3.999 -1.273 4914TIP3 H221052 -0.216 -4.037 -1.133 4915TIP3 OH221053 0.606 -3.060 -1.871 4915TIP3 H121054 0.565 -3.093 -1.951 4915TIP3 H221055 0.554 -2.980 -1.850 4916TIP3 OH221056 0.140 -3.268 -1.190 4916TIP3 H121057 0.067 -3.207 -1.166 4916TIP3 H221058 0.206 -3.209 -1.230 4917TIP3 OH221059 0.953 -4.022 -1.578 4917TIP3 H121060 0.893 -4.055 -1.509 4917TIP3 H221061 0.997 -3.948 -1.531 4918TIP3 OH221062 -0.189 -3.855 -1.408 4918TIP3 H121063 -0.126 -3.795 -1.361 4918TIP3 H221064 -0.131 -3.889 -1.479 4919TIP3 OH221065 -0.068 -3.081 -1.125 4919TIP3 H121066 -0.064 -2.984 -1.139 4919TIP3 H221067 -0.146 -3.085 -1.066 4920TIP3 OH221068 -0.415 -3.109 -2.028 4920TIP3 H121069 -0.446 -3.070 -2.112 4920TIP3 H221070 -0.414 -3.031 -1.968 4921TIP3 OH221071 0.920 -2.969 -1.355 4921TIP3 H121072 0.823 -2.957 -1.348 4921TIP3 H221073 0.946 -2.882 -1.390 4922TIP3 OH221074 0.964 -4.114 -1.182 4922TIP3 H121075 0.884 -4.077 -1.222 4922TIP3 H221076 1.031 -4.094 -1.251 4923TIP3 OH221077 0.270 4.379 -1.485 4923TIP3 H121078 0.266 4.285 -1.466 4923TIP3 H221079 0.187 4.414 -1.446 4924TIP3 OH221080 0.749 -2.774 -1.700 4924TIP3 H121081 0.799 -2.854 -1.725 4924TIP3 H221082 0.818 -2.705 -1.707 4925TIP3 OH221083 0.902 -2.990 -1.834 4925TIP3 H121084 0.841 -3.032 -1.897 4925TIP3 H221085 0.896 -3.052 -1.759 4926TIP3 OH221086 1.055 -3.112 -0.995 4926TIP3 H121087 1.037 -3.173 -1.069 4926TIP3 H221088 1.062 -3.027 -1.041 4927TIP3 OH221089 0.460 -3.424 -2.027 4927TIP3 H121090 0.405 -3.357 -2.071 4927TIP3 H221091 0.540 -3.426 -2.083 4928TIP3 OH221092 0.503 -3.595 -2.318 4928TIP3 H121093 0.566 -3.568 -2.249 4928TIP3 H221094 0.560 -3.652 -2.371 4929TIP3 OH221095 1.222 -3.483 -1.192 4929TIP3 H121096 1.145 -3.424 -1.188 4929TIP3 H221097 1.269 -3.448 -1.270 4930TIP3 OH221098 0.840 -3.421 -1.914 4930TIP3 H121099 0.766 -3.394 -1.854 4930TIP3 H221100 0.894 -3.476 -1.854 4931TIP3 OH221101 0.825 -3.562 -1.020 4931TIP3 H121102 0.821 -3.476 -0.975 4931TIP3 H221103 0.744 -3.551 -1.076 4932TIP3 OH221104 -0.024 -3.326 -1.750 4932TIP3 H121105 -0.046 -3.392 -1.819 4932TIP3 H221106 0.039 -3.380 -1.697 4933TIP3 OH221107 0.133 -2.999 -1.461 4933TIP3 H121108 0.126 -3.054 -1.539 4933TIP3 H221109 0.208 -3.041 -1.415 4934TIP3 OH221110 0.041 -3.445 -1.388 4934TIP3 H121111 0.109 -3.455 -1.458 4934TIP3 H221112 0.087 -3.390 -1.322 4935TIP3 OH221113 0.639 -2.903 -1.324 4935TIP3 H121114 0.643 -2.837 -1.252 4935TIP3 H221115 0.621 -2.986 -1.276 4936TIP3 OH221116 0.132 -3.030 -0.899 4936TIP3 H121117 0.078 -2.966 -0.848 4936TIP3 H221118 0.068 -3.056 -0.967 4937TIP3 OH221119 0.720 -3.469 -2.160 4937TIP3 H121120 0.770 -3.445 -2.079 4937TIP3 H221121 0.771 -3.418 -2.228 4938TIP3 OH221122 -0.178 -3.385 -0.986 4938TIP3 H121123 -0.171 -3.326 -0.909 4938TIP3 H221124 -0.275 -3.397 -0.992 4939TIP3 OH221125 0.461 -2.808 -1.804 4939TIP3 H121126 0.514 -2.781 -1.728 4939TIP3 H221127 0.418 -2.725 -1.830 4940TIP3 OH221128 -0.072 -2.842 -0.819 4940TIP3 H121129 -0.080 -2.812 -0.910 4940TIP3 H221130 -0.154 -2.806 -0.780 4941TIP3 OH221131 1.044 -4.327 -2.235 4941TIP3 H121132 0.997 -4.320 -2.150 4941TIP3 H221133 1.118 -4.266 -2.219 4942TIP3 OH221134 -0.133 -3.457 -1.972 4942TIP3 H121135 -0.142 -3.394 -2.046 4942TIP3 H221136 -0.184 -3.532 -2.002 4943TIP3 OH221137 1.205 -2.881 -2.360 4943TIP3 H121138 1.221 -2.788 -2.337 4943TIP3 H221139 1.291 -2.922 -2.339 4944TIP3 OH221140 -0.505 -3.193 -1.110 4944TIP3 H121141 -0.559 -3.198 -1.191 4944TIP3 H221142 -0.499 -3.286 -1.082 4945TIP3 OH221143 -0.508 -2.900 -1.418 4945TIP3 H121144 -0.417 -2.928 -1.399 4945TIP3 H221145 -0.525 -2.842 -1.342 4946TIP3 OH221146 1.329 -2.841 -0.831 4946TIP3 H121147 1.317 -2.935 -0.852 4946TIP3 H221148 1.237 -2.817 -0.804 4947TIP3 OH221149 0.394 -2.920 -0.955 4947TIP3 H121150 0.402 -2.837 -0.903 4947TIP3 H221151 0.304 -2.949 -0.931 4948TIP3 OH221152 0.422 -2.539 -1.959 4948TIP3 H121153 0.426 -2.524 -2.055 4948TIP3 H221154 0.424 -2.448 -1.923 4949TIP3 OH221155 -0.199 -2.632 -1.797 4949TIP3 H121156 -0.178 -2.667 -1.708 4949TIP3 H221157 -0.289 -2.666 -1.809 4950TIP3 OH221158 0.751 -2.597 -2.240 4950TIP3 H121159 0.810 -2.661 -2.283 4950TIP3 H221160 0.747 -2.633 -2.148 4951TIP3 OH221161 0.691 -2.655 -1.961 4951TIP3 H121162 0.596 -2.639 -1.941 4951TIP3 H221163 0.710 -2.723 -1.894 4952TIP3 OH221164 1.009 -3.707 -0.795 4952TIP3 H121165 0.955 -3.666 -0.864 4952TIP3 H221166 1.013 -3.799 -0.826 4953TIP3 OH221167 -0.299 -3.030 -0.969 4953TIP3 H121168 -0.270 -3.075 -0.887 4953TIP3 H221169 -0.371 -3.085 -1.002 4954TIP3 OH221170 0.026 -4.219 -1.390 4954TIP3 H121171 -0.058 -4.243 -1.430 4954TIP3 H221172 0.003 -4.136 -1.346 4955TIP3 OH221173 0.482 -4.267 -1.033 4955TIP3 H121174 0.499 -4.306 -0.946 4955TIP3 H221175 0.386 -4.275 -1.039 4956TIP3 OH221176 0.781 -3.864 -0.986 4956TIP3 H121177 0.719 -3.873 -0.912 4956TIP3 H221178 0.772 -3.771 -1.012 4957TIP3 OH221179 0.877 -3.362 -2.362 4957TIP3 H121180 0.858 -3.380 -2.456 4957TIP3 H221181 0.971 -3.337 -2.366 4958TIP3 OH221182 0.441 -3.994 -2.315 4958TIP3 H121183 0.386 -4.002 -2.236 4958TIP3 H221184 0.393 -4.056 -2.375 4959TIP3 OH221185 0.004 -3.715 -1.264 4959TIP3 H121186 -0.047 -3.703 -1.183 4959TIP3 H221187 0.016 -3.624 -1.296 4960TIP3 OH221188 0.001 -3.705 -1.774 4960TIP3 H121189 -0.093 -3.723 -1.792 4960TIP3 H221190 0.040 -3.728 -1.861 4961TIP3 OH221191 0.569 -3.666 -1.875 4961TIP3 H121192 0.535 -3.576 -1.886 4961TIP3 H221193 0.640 -3.669 -1.941 4962TIP3 OH221194 0.482 -3.632 -0.760 4962TIP3 H121195 0.433 -3.708 -0.722 4962TIP3 H221196 0.571 -3.643 -0.720 4963TIP3 OH221197 -0.255 -3.698 -1.082 4963TIP3 H121198 -0.227 -3.666 -0.995 4963TIP3 H221199 -0.293 -3.785 -1.059 4964TIP3 OH221200 0.080 -3.937 -2.420 4964TIP3 H121201 0.047 -3.979 -2.338 4964TIP3 H221202 0.002 -3.931 -2.475 4965TIP3 OH221203 -0.571 -3.951 -1.718 4965TIP3 H121204 -0.517 -3.954 -1.637 4965TIP3 H221205 -0.518 -3.997 -1.783 4966TIP3 OH221206 -0.414 -3.911 -2.143 4966TIP3 H121207 -0.360 -3.861 -2.207 4966TIP3 H221208 -0.486 -3.847 -2.125 4967TIP3 OH221209 0.570 -3.557 -1.121 4967TIP3 H121210 0.582 -3.561 -1.218 4967TIP3 H221211 0.515 -3.634 -1.102 4968TIP3 OH221212 0.274 -3.965 -1.684 4968TIP3 H121213 0.183 -3.958 -1.651 4968TIP3 H221214 0.325 -3.953 -1.602 4969TIP3 OH221215 -0.260 -3.825 -1.807 4969TIP3 H121216 -0.344 -3.801 -1.850 4969TIP3 H221217 -0.235 -3.909 -1.850 4970TIP3 OH221218 0.101 -3.787 -2.032 4970TIP3 H121219 0.199 -3.786 -2.027 4970TIP3 H221220 0.082 -3.732 -2.109 4971TIP3 OH221221 0.716 -4.043 -1.374 4971TIP3 H121222 0.656 -4.036 -1.296 4971TIP3 H221223 0.652 -4.070 -1.441 4972TIP3 OH221224 -0.055 -3.665 -2.258 4972TIP3 H121225 -0.111 -3.697 -2.330 4972TIP3 H221226 0.028 -3.647 -2.306 4973TIP3 OH221227 1.012 -2.458 -0.706 4973TIP3 H121228 1.036 -2.413 -0.789 4973TIP3 H221229 1.081 -2.421 -0.647 4974TIP3 OH221230 -0.188 -3.196 -0.760 4974TIP3 H121231 -0.121 -3.186 -0.689 4974TIP3 H221232 -0.269 -3.201 -0.705 4975TIP3 OH221233 0.377 -3.730 -1.518 4975TIP3 H121234 0.468 -3.731 -1.546 4975TIP3 H221235 0.383 -3.757 -1.425 4976TIP3 OH221236 -0.105 -4.066 -1.865 4976TIP3 H121237 -0.149 -4.152 -1.855 4976TIP3 H221238 -0.020 -4.092 -1.905 4977TIP3 OH221239 0.275 -3.853 -1.258 4977TIP3 H121240 0.206 -3.786 -1.266 4977TIP3 H221241 0.329 -3.821 -1.183 4978TIP3 OH221242 0.293 -3.205 -2.079 4978TIP3 H121243 0.219 -3.261 -2.111 4978TIP3 H221244 0.278 -3.205 -1.982 4979TIP3 OH221245 0.992 -3.301 -1.221 4979TIP3 H121246 1.046 -3.246 -1.282 4979TIP3 H221247 0.907 -3.303 -1.267 4980TIP3 OH221248 0.710 -3.930 -2.312 4980TIP3 H121249 0.612 -3.939 -2.307 4980TIP3 H221250 0.729 -3.864 -2.243 4981TIP3 OH221251 0.452 -3.208 -0.946 4981TIP3 H121252 0.429 -3.240 -0.857 4981TIP3 H221253 0.427 -3.115 -0.942 4982TIP3 OH221254 0.772 -3.750 -2.099 4982TIP3 H121255 0.857 -3.763 -2.051 4982TIP3 H221256 0.780 -3.658 -2.131 4983TIP3 OH221257 -0.196 -3.275 -1.498 4983TIP3 H121258 -0.121 -3.293 -1.556 4983TIP3 H221259 -0.193 -3.352 -1.439 4984TIP3 OH221260 0.532 -3.073 -2.189 4984TIP3 H121261 0.510 -2.988 -2.146 4984TIP3 H221262 0.459 -3.129 -2.157 4985TIP3 OH221263 -0.465 -3.445 -0.968 4985TIP3 H121264 -0.450 -3.486 -0.881 4985TIP3 H221265 -0.529 -3.505 -1.010 4986TIP3 OH221266 0.231 -3.494 -0.769 4986TIP3 H121267 0.199 -3.516 -0.858 4986TIP3 H221268 0.324 -3.520 -0.776 4987TIP3 OH221269 0.689 -2.936 -0.994 4987TIP3 H121270 0.592 -2.941 -1.004 4987TIP3 H221271 0.699 -2.921 -0.899 4988TIP3 OH221272 1.239 -3.747 -2.120 4988TIP3 H121273 1.179 -3.764 -2.195 4988TIP3 H221274 1.249 -3.651 -2.130 4989TIP3 OH221275 1.282 -3.141 -0.839 4989TIP3 H121276 1.188 -3.120 -0.859 4989TIP3 H221277 1.316 -3.158 -0.929 4990TIP3 OH221278 1.053 -2.884 -2.112 4990TIP3 H121279 1.033 -2.958 -2.053 4990TIP3 H221280 1.112 -2.922 -2.177 4991TIP3 OH221281 0.003 -2.949 -1.789 4991TIP3 H121282 0.084 -2.896 -1.781 4991TIP3 H221283 -0.061 -2.877 -1.778 4992TIP3 OH221284 -0.359 -3.465 -2.307 4992TIP3 H121285 -0.300 -3.397 -2.271 4992TIP3 H221286 -0.446 -3.439 -2.272 4993TIP3 OH221287 0.227 -3.173 -1.817 4993TIP3 H121288 0.211 -3.083 -1.787 4993TIP3 H221289 0.178 -3.227 -1.754 4994TIP3 OH221290 0.246 -2.748 -1.172 4994TIP3 H121291 0.301 -2.671 -1.196 4994TIP3 H221292 0.306 -2.796 -1.113 4995TIP3 OH221293 0.089 -2.652 -1.848 4995TIP3 H121294 -0.006 -2.633 -1.837 4995TIP3 H221295 0.128 -2.566 -1.821 4996TIP3 OH221296 0.604 -3.161 -1.199 4996TIP3 H121297 0.559 -3.199 -1.121 4996TIP3 H221298 0.632 -3.242 -1.246 4997TIP3 OH221299 0.800 -3.042 -2.321 4997TIP3 H121300 0.845 -3.086 -2.247 4997TIP3 H221301 0.708 -3.056 -2.294 4998TIP3 OH221302 0.883 -2.715 -0.971 4998TIP3 H121303 0.806 -2.761 -1.010 4998TIP3 H221304 0.890 -2.635 -1.028 4999TIP3 OH221305 1.280 -2.613 -2.272 4999TIP3 H121306 1.350 -2.547 -2.287 4999TIP3 H221307 1.203 -2.553 -2.270 5000TIP3 OH221308 -0.334 -3.962 -1.008 5000TIP3 H121309 -0.425 -3.943 -1.038 5000TIP3 H221310 -0.350 -4.048 -0.963 5001TIP3 OH221311 0.899 -3.180 -2.085 5001TIP3 H121312 0.873 -3.253 -2.025 5001TIP3 H221313 0.996 -3.180 -2.073 5002TIP3 OH221314 -0.351 -2.804 -1.165 5002TIP3 H121315 -0.326 -2.894 -1.138 5002TIP3 H221316 -0.355 -2.762 -1.078 5003TIP3 OH221317 0.224 -2.937 -2.464 5003TIP3 H121318 0.257 -3.014 -2.513 5003TIP3 H221319 0.187 -2.978 -2.385 5004TIP3 OH221320 0.106 -2.989 -2.180 5004TIP3 H121321 0.173 -3.039 -2.129 5004TIP3 H221322 0.127 -2.896 -2.156 5005TIP3 OH221323 -0.190 -3.229 -2.129 5005TIP3 H121324 -0.280 -3.197 -2.111 5005TIP3 H221325 -0.155 -3.159 -2.187 5006TIP3 OH221326 0.555 -4.008 -1.141 5006TIP3 H121327 0.619 -3.978 -1.075 5006TIP3 H221328 0.523 -4.093 -1.105 5007TIP3 OH221329 0.644 -4.050 -2.014 5007TIP3 H121330 0.649 -3.988 -2.088 5007TIP3 H221331 0.677 -3.995 -1.940 5008TIP3 OH221332 0.401 -2.826 -2.130 5008TIP3 H121333 0.325 -2.769 -2.108 5008TIP3 H221334 0.444 -2.774 -2.199 5009TIP3 OH221335 0.370 -3.848 -1.926 5009TIP3 H121336 0.447 -3.789 -1.908 5009TIP3 H221337 0.341 -3.868 -1.835 5010TIP3 OH221338 0.399 -3.762 -1.012 5010TIP3 H121339 0.411 -3.707 -0.932 5010TIP3 H221340 0.459 -3.836 -0.994 5011TIP3 OH221341 0.437 -4.170 -1.825 5011TIP3 H121342 0.407 -4.094 -1.772 5011TIP3 H221343 0.499 -4.128 -1.887 5012TIP3 OH221344 0.123 -2.715 -2.129 5012TIP3 H121345 0.119 -2.633 -2.183 5012TIP3 H221346 0.112 -2.680 -2.039 5013TIP3 OH221347 -0.004 -4.052 -2.176 5013TIP3 H121348 -0.004 -3.970 -2.124 5013TIP3 H221349 0.086 -4.084 -2.155 5014TIP3 OH221350 1.040 -3.965 -0.932 5014TIP3 H121351 0.944 -3.951 -0.941 5014TIP3 H221352 1.060 -3.985 -1.025 5015TIP3 OH221353 0.885 -3.587 -1.547 5015TIP3 H121354 0.794 -3.566 -1.522 5015TIP3 H221355 0.917 -3.645 -1.475 5016TIP3 OH221356 -0.163 -2.966 -2.274 5016TIP3 H121357 -0.093 -2.911 -2.235 5016TIP3 H221358 -0.112 -3.008 -2.344 5017TIP3 OH221359 -0.347 -3.745 -2.364 5017TIP3 H121360 -0.336 -3.651 -2.341 5017TIP3 H221361 -0.434 -3.745 -2.406 5018TIP3 OH221362 0.984 -2.690 -1.386 5018TIP3 H121363 0.967 -2.606 -1.433 5018TIP3 H221364 1.076 -2.675 -1.358 5019TIP3 OH221365 -0.338 -4.243 -1.469 5019TIP3 H121366 -0.293 -4.243 -1.555 5019TIP3 H221367 -0.313 -4.332 -1.439 5020TIP3 OH221368 -0.355 -2.897 -1.863 5020TIP3 H121369 -0.428 -2.852 -1.817 5020TIP3 H221370 -0.330 -2.829 -1.928 5021TIP3 OH221371 0.068 -2.683 -0.563 5021TIP3 H121372 0.111 -2.768 -0.549 5021TIP3 H221373 0.002 -2.704 -0.631 5022TIP3 OH221374 0.449 -2.765 -2.416 5022TIP3 H121375 0.375 -2.829 -2.423 5022TIP3 H221376 0.522 -2.819 -2.450 5023TIP3 OH221377 0.690 -2.863 -0.704 5023TIP3 H121378 0.650 -2.945 -0.669 5023TIP3 H221379 0.759 -2.844 -0.639 5024TIP3 OH221380 0.911 -2.776 -2.404 5024TIP3 H121381 0.928 -2.855 -2.349 5024TIP3 H221382 0.991 -2.771 -2.458 5025TIP3 OH221383 -0.429 -3.239 -0.635 5025TIP3 H121384 -0.425 -3.328 -0.673 5025TIP3 H221385 -0.508 -3.204 -0.681 5026TIP3 OH221386 -0.010 -3.195 -2.426 5026TIP3 H121387 0.012 -3.255 -2.353 5026TIP3 H221388 0.074 -3.194 -2.475 5027TIP3 OH221389 0.234 -3.216 -0.696 5027TIP3 H121390 0.205 -3.182 -0.782 5027TIP3 H221391 0.241 -3.312 -0.711 5028TIP3 OH221392 0.510 -3.061 -2.469 5028TIP3 H121393 0.512 -3.065 -2.371 5028TIP3 H221394 0.510 -3.157 -2.489 5029TIP3 OH221395 0.771 -3.251 -0.946 5029TIP3 H121396 0.847 -3.202 -0.979 5029TIP3 H221397 0.698 -3.190 -0.965 5030TIP3 OH221398 -0.345 -3.526 -0.715 5030TIP3 H121399 -0.269 -3.586 -0.711 5030TIP3 H221400 -0.349 -3.496 -0.623 5031TIP3 OH221401 0.097 -3.384 -2.197 5031TIP3 H121402 0.048 -3.443 -2.138 5031TIP3 H221403 0.133 -3.449 -2.261 5032TIP3 OH221404 0.020 -3.610 -0.975 5032TIP3 H121405 -0.032 -3.531 -0.951 5032TIP3 H221406 0.090 -3.572 -1.031 5033TIP3 OH221407 0.196 -3.581 -2.368 5033TIP3 H121408 0.192 -3.577 -2.465 5033TIP3 H221409 0.292 -3.589 -2.353 5034TIP3 OH221410 0.552 -3.338 -0.613 5034TIP3 H121411 0.641 -3.357 -0.647 5034TIP3 H221412 0.527 -3.422 -0.574 5035TIP3 OH221413 1.147 -3.332 -2.438 5035TIP3 H121414 1.135 -3.373 -2.525 5035TIP3 H221415 1.136 -3.237 -2.461 5036TIP3 OH221416 0.080 -3.879 -0.859 5036TIP3 H121417 0.091 -3.943 -0.932 5036TIP3 H221418 0.061 -3.797 -0.908 5037TIP3 OH221419 0.119 -4.040 -1.118 5037TIP3 H121420 0.173 -3.981 -1.176 5037TIP3 H221421 0.028 -4.025 -1.152 5038TIP3 OH221422 0.264 -3.491 -1.075 5038TIP3 H121423 0.356 -3.495 -1.107 5038TIP3 H221424 0.238 -3.401 -1.103 5039TIP3 OH221425 0.726 -3.693 -0.595 5039TIP3 H121426 0.746 -3.786 -0.573 5039TIP3 H221427 0.814 -3.654 -0.599 5040TIP3 OH221428 0.826 -3.416 -0.740 5040TIP3 H121429 0.789 -3.355 -0.807 5040TIP3 H221430 0.912 -3.434 -0.781 5041TIP3 OH221431 -0.097 -3.696 -0.674 5041TIP3 H121432 -0.149 -3.778 -0.674 5041TIP3 H221433 -0.016 -3.724 -0.719 5042TIP3 OH221434 0.165 -4.279 -0.997 5042TIP3 H121435 0.181 -4.188 -1.031 5042TIP3 H221436 0.071 -4.285 -1.016 5043TIP3 OH221437 0.317 -3.848 -0.696 5043TIP3 H121438 0.282 -3.871 -0.608 5043TIP3 H221439 0.236 -3.864 -0.749 5044TIP3 OH221440 0.572 -3.947 -0.803 5044TIP3 H121441 0.484 -3.930 -0.765 5044TIP3 H221442 0.610 -4.009 -0.738 5045TIP3 OH221443 0.749 -4.137 -0.630 5045TIP3 H121444 0.730 -4.223 -0.590 5045TIP3 H221445 0.731 -4.076 -0.557 5046TIP3 OH221446 -0.216 -3.963 -0.686 5046TIP3 H121447 -0.245 -4.021 -0.759 5046TIP3 H221448 -0.266 -3.997 -0.611 5047TIP3 OH221449 0.276 -4.147 -0.583 5047TIP3 H121450 0.254 -4.227 -0.635 5047TIP3 H221451 0.193 -4.096 -0.586 5048TIP3 OH221452 0.172 -2.463 -2.263 5048TIP3 H121453 0.266 -2.448 -2.246 5048TIP3 H221454 0.161 -2.412 -2.344 5049TIP3 OH221455 -0.437 -3.025 -2.301 5049TIP3 H121456 -0.342 -3.000 -2.295 5049TIP3 H221457 -0.435 -3.097 -2.367 5050TIP3 OH221458 -0.592 -2.463 -1.782 5050TIP3 H121459 -0.633 -2.509 -1.857 5050TIP3 H221460 -0.560 -2.537 -1.728 5051TIP3 OH221461 -0.491 -2.703 -1.640 5051TIP3 H121462 -0.526 -2.785 -1.602 5051TIP3 H221463 -0.458 -2.662 -1.558 5052TIP3 OH221464 1.256 -2.575 -1.335 5052TIP3 H121465 1.268 -2.572 -1.239 5052TIP3 H221466 1.342 -2.542 -1.365 5053TIP3 OH221467 1.245 -2.628 -1.048 5053TIP3 H121468 1.193 -2.703 -1.081 5053TIP3 H221469 1.301 -2.671 -0.982 5054TIP3 OH221470 1.047 -3.084 -0.615 5054TIP3 H121471 0.958 -3.076 -0.578 5054TIP3 H221472 1.090 -3.002 -0.586 5055TIP3 OH221473 1.186 -3.195 -2.045 5055TIP3 H121474 1.276 -3.163 -2.026 5055TIP3 H221475 1.175 -3.258 -1.971 5056TIP3 OH221476 1.231 -3.400 -1.848 5056TIP3 H121477 1.164 -3.456 -1.804 5056TIP3 H221478 1.298 -3.387 -1.778 5057TIP3 OH221479 1.202 -3.151 -1.342 5057TIP3 H121480 1.262 -3.199 -1.401 5057TIP3 H221481 1.212 -3.060 -1.374 5058TIP3 OH221482 1.074 -2.859 -1.123 5058TIP3 H121483 1.002 -2.818 -1.073 5058TIP3 H221484 1.027 -2.893 -1.202 5059TIP3 OH221485 1.260 -3.454 -2.190 5059TIP3 H121486 1.206 -3.424 -2.266 5059TIP3 H221487 1.243 -3.382 -2.127 5060TIP3 OH221488 1.083 -3.698 -2.363 5060TIP3 H121489 1.111 -3.638 -2.434 5060TIP3 H221490 1.059 -3.779 -2.412 5061TIP3 OH221491 1.037 -3.590 -1.765 5061TIP3 H121492 1.018 -3.683 -1.782 5061TIP3 H221493 0.991 -3.578 -1.678 5062TIP3 OH221494 -0.491 -3.365 -1.395 5062TIP3 H121495 -0.461 -3.358 -1.487 5062TIP3 H221496 -0.407 -3.385 -1.349 5063TIP3 OH221497 1.086 -3.394 -0.852 5063TIP3 H121498 1.161 -3.454 -0.833 5063TIP3 H221499 1.130 -3.310 -0.871 5064TIP3 OH221500 1.241 -3.583 -0.728 5064TIP3 H121501 1.161 -3.635 -0.752 5064TIP3 H221502 1.310 -3.653 -0.730 5065TIP3 OH221503 1.027 -3.970 -2.447 5065TIP3 H121504 1.085 -4.012 -2.381 5065TIP3 H221505 0.943 -4.017 -2.436 5066TIP3 OH221506 1.005 -3.826 -1.948 5066TIP3 H121507 1.021 -3.923 -1.940 5066TIP3 H221508 1.089 -3.796 -1.985 5067TIP3 OH221509 1.032 -3.783 -1.406 5067TIP3 H121510 1.128 -3.766 -1.408 5067TIP3 H221511 1.015 -3.774 -1.311 5068TIP3 OH221512 1.050 -3.707 -1.122 5068TIP3 H121513 0.966 -3.666 -1.093 5068TIP3 H221514 1.103 -3.628 -1.143 5069TIP3 OH221515 -0.507 -3.836 -0.743 5069TIP3 H121516 -0.414 -3.857 -0.760 5069TIP3 H221517 -0.548 -3.924 -0.744 5070TIP3 OH221518 1.269 -4.275 -0.543 5070TIP3 H121519 1.309 -4.359 -0.569 5070TIP3 H221520 1.266 -4.219 -0.623 5071TIP3 OH221521 1.042 -4.099 -1.940 5071TIP3 H121522 1.058 -4.145 -1.856 5071TIP3 H221523 0.975 -4.157 -1.981 5072TIP3 OH221524 -0.430 -3.990 -1.477 5072TIP3 H121525 -0.400 -4.082 -1.464 5072TIP3 H221526 -0.356 -3.940 -1.437 5073TIP3 OH221527 -0.570 -3.729 -1.373 5073TIP3 H121528 -0.508 -3.730 -1.448 5073TIP3 H221529 -0.535 -3.656 -1.320 5074TIP3 OH221530 1.243 -4.113 -0.759 5074TIP3 H121531 1.159 -4.064 -0.751 5074TIP3 H221532 1.233 -4.146 -0.850 5075TIP3 OH221533 1.250 -4.059 -2.279 5075TIP3 H121534 1.271 -4.144 -2.322 5075TIP3 H221535 1.336 -4.015 -2.274 5076TIP3 OH221536 -0.516 -4.104 -1.966 5076TIP3 H121537 -0.611 -4.094 -1.985 5076TIP3 H221538 -0.476 -4.034 -2.023 5077TIP3 OH221539 0.942 -2.565 -1.756 5077TIP3 H121540 0.994 -2.593 -1.834 5077TIP3 H221541 1.011 -2.531 -1.698 5078TIP3 OH221542 -0.541 -4.127 -1.112 5078TIP3 H121543 -0.534 -4.221 -1.087 5078TIP3 H221544 -0.559 -4.135 -1.207 5079TIP3 OH221545 -0.030 -2.802 -1.117 5079TIP3 H121546 -0.065 -2.715 -1.143 5079TIP3 H221547 0.066 -2.786 -1.130 5080TIP3 OH221548 0.421 -2.671 -0.814 5080TIP3 H121549 0.432 -2.682 -0.719 5080TIP3 H221550 0.503 -2.622 -0.839 5081TIP3 OH221551 0.649 -2.524 -0.881 5081TIP3 H121552 0.720 -2.585 -0.905 5081TIP3 H221553 0.679 -2.490 -0.795 5082TIP3 OH221554 1.106 -4.278 -0.968 5082TIP3 H121555 1.057 -4.213 -1.022 5082TIP3 H221556 1.127 -4.344 -1.036 5083TIP3 OH221557 -0.305 -2.491 -1.092 5083TIP3 H121558 -0.373 -2.428 -1.119 5083TIP3 H221559 -0.324 -2.497 -0.997 5084TIP3 OH221560 -0.051 -2.528 -1.228 5084TIP3 H121561 -0.134 -2.506 -1.183 5084TIP3 H221562 -0.043 -2.454 -1.292 5085TIP3 OH221563 0.430 -2.526 -1.270 5085TIP3 H121564 0.393 -2.477 -1.346 5085TIP3 H221565 0.439 -2.454 -1.204 5086TIP3 OH221566 0.665 -2.651 -1.178 5086TIP3 H121567 0.579 -2.616 -1.209 5086TIP3 H221568 0.720 -2.572 -1.177 5087TIP3 OH221569 0.918 -2.483 -1.155 5087TIP3 H121570 0.916 -2.387 -1.173 5087TIP3 H221571 0.946 -2.516 -1.242 5088TIP3 OH221572 -0.340 -2.628 -1.389 5088TIP3 H121573 -0.343 -2.669 -1.300 5088TIP3 H221574 -0.256 -2.663 -1.421 5089TIP3 OH221575 -0.128 -2.755 -1.555 5089TIP3 H121576 -0.148 -2.841 -1.512 5089TIP3 H221577 -0.043 -2.731 -1.513 5090TIP3 OH221578 0.138 -2.705 -1.453 5090TIP3 H121579 0.162 -2.798 -1.470 5090TIP3 H221580 0.148 -2.701 -1.357 5091TIP3 OH221581 0.477 -4.115 -1.521 5091TIP3 H121582 0.410 -4.182 -1.499 5091TIP3 H221583 0.532 -4.161 -1.585 5092TIP3 OH221584 0.997 -4.340 -1.488 5092TIP3 H121585 1.059 -4.288 -1.541 5092TIP3 H221586 0.912 -4.298 -1.508 5093TIP3 OH221587 1.202 -4.228 -1.695 5093TIP3 H121588 1.247 -4.242 -1.779 5093TIP3 H221589 1.211 -4.132 -1.682 5094TIP3 OH221590 -0.292 -4.285 -1.798 5094TIP3 H121591 -0.385 -4.306 -1.812 5094TIP3 H221592 -0.260 -4.364 -1.754 5095TIP3 OH221593 -0.434 -4.291 -2.169 5095TIP3 H121594 -0.388 -4.242 -2.240 5095TIP3 H221595 -0.471 -4.218 -2.116 5096TIP3 OH221596 0.162 -4.257 -1.786 5096TIP3 H121597 0.254 -4.224 -1.783 5096TIP3 H221598 0.148 -4.282 -1.694 5097TIP3 OH221599 0.705 -4.266 -1.633 5097TIP3 H121600 0.745 -4.261 -1.721 5097TIP3 H221601 0.704 -4.361 -1.613 5098TIP3 OH221602 0.825 -4.273 -2.034 5098TIP3 H121603 0.751 -4.209 -2.048 5098TIP3 H221604 0.780 -4.358 -2.040 5099TIP3 OH221605 -0.394 -2.696 -2.065 5099TIP3 H121606 -0.461 -2.706 -2.134 5099TIP3 H221607 -0.387 -2.599 -2.063 5100TIP3 OH221608 -0.243 -4.125 -2.326 5100TIP3 H121609 -0.172 -4.162 -2.382 5100TIP3 H221610 -0.189 -4.074 -2.262 5101TIP3 OH221611 0.271 -4.059 -2.091 5101TIP3 H121612 0.302 -4.141 -2.048 5101TIP3 H221613 0.300 -3.990 -2.028 5102TIP3 OH221614 0.476 -2.513 -2.251 5102TIP3 H121615 0.573 -2.512 -2.256 5102TIP3 H221616 0.457 -2.579 -2.321 5103TIP3 OH221617 1.128 -2.611 -1.996 5103TIP3 H121618 1.104 -2.695 -2.039 5103TIP3 H221619 1.122 -2.549 -2.070 5104TIP3 OH221620 -0.331 -4.178 -0.845 5104TIP3 H121621 -0.375 -4.259 -0.816 5104TIP3 H221622 -0.242 -4.214 -0.858 5105TIP3 OH221623 -0.038 -4.278 -0.582 5105TIP3 H121624 0.049 -4.304 -0.619 5105TIP3 H221625 -0.063 -4.358 -0.534 5106TIP3 OH221626 -0.250 -2.606 -2.382 5106TIP3 H121627 -0.267 -2.573 -2.293 5106TIP3 H221628 -0.167 -2.656 -2.371 5107TIP3 OH221629 1.074 -2.736 -0.752 5107TIP3 H121630 1.002 -2.752 -0.816 5107TIP3 H221631 1.061 -2.641 -0.736 5108TIP3 OH221632 2.497 -3.368 -1.744 5108TIP3 H121633 2.496 -3.272 -1.727 5108TIP3 H221634 2.418 -3.378 -1.798 5109TIP3 OH221635 2.384 -3.424 -1.436 5109TIP3 H121636 2.380 -3.476 -1.355 5109TIP3 H221637 2.352 -3.487 -1.502 5110TIP3 OH221638 1.632 -3.465 -1.269 5110TIP3 H121639 1.628 -3.539 -1.205 5110TIP3 H221640 1.699 -3.408 -1.228 5111TIP3 OH221641 2.753 -3.144 -1.598 5111TIP3 H121642 2.715 -3.211 -1.540 5111TIP3 H221643 2.781 -3.077 -1.533 5112TIP3 OH221644 1.696 -2.999 -1.419 5112TIP3 H121645 1.671 -3.091 -1.442 5112TIP3 H221646 1.788 -3.012 -1.394 5113TIP3 OH221647 1.395 -3.661 -1.881 5113TIP3 H121648 1.356 -3.574 -1.867 5113TIP3 H221649 1.320 -3.710 -1.915 5114TIP3 OH221650 1.476 -3.413 -1.694 5114TIP3 H121651 1.489 -3.496 -1.644 5114TIP3 H221652 1.560 -3.404 -1.740 5115TIP3 OH221653 2.451 -2.616 -1.548 5115TIP3 H121654 2.513 -2.685 -1.577 5115TIP3 H221655 2.428 -2.645 -1.459 5116TIP3 OH221656 2.231 -3.172 -1.379 5116TIP3 H121657 2.265 -3.244 -1.435 5116TIP3 H221658 2.311 -3.155 -1.326 5117TIP3 OH221659 3.087 -4.018 -1.324 5117TIP3 H121660 3.116 -3.978 -1.241 5117TIP3 H221661 3.153 -3.981 -1.385 5118TIP3 OH221662 2.561 -3.740 -1.326 5118TIP3 H121663 2.578 -3.836 -1.325 5118TIP3 H221664 2.550 -3.724 -1.421 5119TIP3 OH221665 1.857 -3.942 -1.617 5119TIP3 H121666 1.872 -3.856 -1.661 5119TIP3 H221667 1.822 -3.993 -1.692 5120TIP3 OH221668 2.645 -3.926 -1.786 5120TIP3 H121669 2.706 -3.963 -1.719 5120TIP3 H221670 2.707 -3.874 -1.841 5121TIP3 OH221671 1.528 -3.661 -1.570 5121TIP3 H121672 1.586 -3.711 -1.510 5121TIP3 H221673 1.534 -3.713 -1.652 5122TIP3 OH221674 2.066 -3.525 -1.625 5122TIP3 H121675 2.135 -3.580 -1.583 5122TIP3 H221676 2.013 -3.592 -1.672 5123TIP3 OH221677 3.180 -3.847 -1.058 5123TIP3 H121678 3.103 -3.796 -1.089 5123TIP3 H221679 3.145 -3.888 -0.978 5124TIP3 OH221680 1.737 -4.056 -1.201 5124TIP3 H121681 1.703 -4.000 -1.273 5124TIP3 H221682 1.669 -4.037 -1.133 5125TIP3 OH221683 2.491 -3.080 -1.865 5125TIP3 H121684 2.453 -3.103 -1.950 5125TIP3 H221685 2.444 -2.997 -1.844 5126TIP3 OH221686 2.030 -3.270 -1.192 5126TIP3 H121687 1.957 -3.210 -1.165 5126TIP3 H221688 2.093 -3.208 -1.233 5127TIP3 OH221689 2.840 -4.018 -1.581 5127TIP3 H121690 2.783 -4.059 -1.514 5127TIP3 H221691 2.885 -3.950 -1.528 5128TIP3 OH221692 1.698 -3.857 -1.407 5128TIP3 H121693 1.760 -3.795 -1.363 5128TIP3 H221694 1.755 -3.890 -1.480 5129TIP3 OH221695 1.829 -3.083 -1.119 5129TIP3 H121696 1.827 -2.990 -1.148 5129TIP3 H221697 1.742 -3.088 -1.074 5130TIP3 OH221698 1.463 -3.112 -2.030 5130TIP3 H121699 1.441 -3.061 -2.110 5130TIP3 H221700 1.479 -3.042 -1.963 5131TIP3 OH221701 2.818 -2.936 -1.373 5131TIP3 H121702 2.722 -2.918 -1.363 5131TIP3 H221703 2.855 -2.850 -1.397 5132TIP3 OH221704 2.849 -4.111 -1.181 5132TIP3 H121705 2.768 -4.077 -1.222 5132TIP3 H221706 2.915 -4.095 -1.251 5133TIP3 OH221707 2.159 4.381 -1.480 5133TIP3 H121708 2.155 4.286 -1.467 5133TIP3 H221709 2.072 4.413 -1.447 5134TIP3 OH221710 2.637 -2.773 -1.698 5134TIP3 H121711 2.687 -2.852 -1.726 5134TIP3 H221712 2.704 -2.703 -1.705 5135TIP3 OH221713 2.787 -2.992 -1.839 5135TIP3 H121714 2.723 -3.035 -1.898 5135TIP3 H221715 2.781 -3.049 -1.760 5136TIP3 OH221716 2.935 -3.113 -0.981 5136TIP3 H121717 2.925 -3.170 -1.059 5136TIP3 H221718 2.941 -3.024 -1.023 5137TIP3 OH221719 2.361 -3.417 -2.016 5137TIP3 H121720 2.294 -3.354 -2.050 5137TIP3 H221721 2.432 -3.408 -2.081 5138TIP3 OH221722 2.391 -3.596 -2.310 5138TIP3 H121723 2.459 -3.565 -2.249 5138TIP3 H221724 2.444 -3.652 -2.369 5139TIP3 OH221725 3.111 -3.489 -1.193 5139TIP3 H121726 3.039 -3.424 -1.183 5139TIP3 H221727 3.159 -3.452 -1.270 5140TIP3 OH221728 2.713 -3.416 -1.908 5140TIP3 H121729 2.644 -3.392 -1.842 5140TIP3 H221730 2.773 -3.469 -1.853 5141TIP3 OH221731 2.697 -3.562 -1.025 5141TIP3 H121732 2.703 -3.482 -0.971 5141TIP3 H221733 2.632 -3.530 -1.090 5142TIP3 OH221734 1.872 -3.337 -1.730 5142TIP3 H121735 1.841 -3.381 -1.812 5142TIP3 H221736 1.938 -3.401 -1.697 5143TIP3 OH221737 2.009 -2.997 -1.457 5143TIP3 H121738 1.998 -3.037 -1.544 5143TIP3 H221739 2.088 -3.042 -1.423 5144TIP3 OH221740 1.934 -3.459 -1.381 5144TIP3 H121741 1.990 -3.451 -1.460 5144TIP3 H221742 1.969 -3.389 -1.322 5145TIP3 OH221743 2.531 -2.904 -1.324 5145TIP3 H121744 2.526 -2.836 -1.254 5145TIP3 H221745 2.508 -2.986 -1.277 5146TIP3 OH221746 2.014 -3.026 -0.897 5146TIP3 H121747 1.965 -2.958 -0.848 5146TIP3 H221748 1.950 -3.050 -0.966 5147TIP3 OH221749 2.611 -3.474 -2.162 5147TIP3 H121750 2.655 -3.442 -2.080 5147TIP3 H221751 2.659 -3.421 -2.230 5148TIP3 OH221752 1.708 -3.387 -0.985 5148TIP3 H121753 1.714 -3.327 -0.909 5148TIP3 H221754 1.612 -3.398 -0.993 5149TIP3 OH221755 2.354 -2.810 -1.806 5149TIP3 H121756 2.400 -2.781 -1.726 5149TIP3 H221757 2.304 -2.731 -1.832 5150TIP3 OH221758 1.826 -2.810 -0.817 5150TIP3 H121759 1.813 -2.802 -0.913 5150TIP3 H221760 1.737 -2.833 -0.784 5151TIP3 OH221761 2.991 -4.338 -2.163 5151TIP3 H121762 2.897 -4.324 -2.143 5151TIP3 H221763 3.013 -4.255 -2.207 5152TIP3 OH221764 1.765 -3.464 -1.977 5152TIP3 H121765 1.744 -3.387 -2.032 5152TIP3 H221766 1.697 -3.527 -2.003 5153TIP3 OH221767 3.091 -2.881 -2.362 5153TIP3 H121768 3.107 -2.788 -2.337 5153TIP3 H221769 3.177 -2.923 -2.340 5154TIP3 OH221770 1.373 -3.196 -1.104 5154TIP3 H121771 1.325 -3.195 -1.189 5154TIP3 H221772 1.383 -3.292 -1.088 5155TIP3 OH221773 1.377 -2.902 -1.413 5155TIP3 H121774 1.469 -2.932 -1.405 5155TIP3 H221775 1.369 -2.843 -1.337 5156TIP3 OH221776 3.217 -2.846 -0.826 5156TIP3 H121777 3.201 -2.939 -0.850 5156TIP3 H221778 3.125 -2.818 -0.805 5157TIP3 OH221779 2.279 -2.920 -0.954 5157TIP3 H121780 2.288 -2.837 -0.902 5157TIP3 H221781 2.189 -2.948 -0.930 5158TIP3 OH221782 2.309 -2.538 -1.958 5158TIP3 H121783 2.308 -2.525 -2.054 5158TIP3 H221784 2.310 -2.447 -1.923 5159TIP3 OH221785 1.689 -2.625 -1.795 5159TIP3 H121786 1.704 -2.669 -1.709 5159TIP3 H221787 1.604 -2.664 -1.821 5160TIP3 OH221788 2.637 -2.597 -2.241 5160TIP3 H121789 2.694 -2.664 -2.283 5160TIP3 H221790 2.631 -2.631 -2.149 5161TIP3 OH221791 2.577 -2.654 -1.961 5161TIP3 H121792 2.482 -2.638 -1.944 5161TIP3 H221793 2.595 -2.721 -1.893 5162TIP3 OH221794 2.895 -3.709 -0.794 5162TIP3 H121795 2.842 -3.668 -0.864 5162TIP3 H221796 2.901 -3.801 -0.824 5163TIP3 OH221797 1.590 -3.041 -0.981 5163TIP3 H121798 1.616 -3.087 -0.898 5163TIP3 H221799 1.516 -3.095 -1.013 5164TIP3 OH221800 1.909 -4.219 -1.390 5164TIP3 H121801 1.824 -4.236 -1.432 5164TIP3 H221802 1.890 -4.136 -1.344 5165TIP3 OH221803 2.365 -4.263 -1.031 5165TIP3 H121804 2.385 -4.309 -0.949 5165TIP3 H221805 2.270 -4.277 -1.039 5166TIP3 OH221806 2.664 -3.863 -0.989 5166TIP3 H121807 2.605 -3.875 -0.912 5166TIP3 H221808 2.658 -3.767 -1.006 5167TIP3 OH221809 2.763 -3.365 -2.363 5167TIP3 H121810 2.744 -3.380 -2.457 5167TIP3 H221811 2.855 -3.336 -2.367 5168TIP3 OH221812 2.330 -3.996 -2.316 5168TIP3 H121813 2.275 -4.004 -2.236 5168TIP3 H221814 2.279 -4.054 -2.376 5169TIP3 OH221815 1.895 -3.716 -1.262 5169TIP3 H121816 1.835 -3.703 -1.186 5169TIP3 H221817 1.903 -3.625 -1.297 5170TIP3 OH221818 1.889 -3.709 -1.773 5170TIP3 H121819 1.793 -3.717 -1.788 5170TIP3 H221820 1.923 -3.726 -1.863 5171TIP3 OH221821 2.451 -3.652 -1.898 5171TIP3 H121822 2.410 -3.569 -1.928 5171TIP3 H221823 2.517 -3.666 -1.967 5172TIP3 OH221824 2.371 -3.633 -0.765 5172TIP3 H121825 2.318 -3.706 -0.725 5172TIP3 H221826 2.457 -3.644 -0.720 5173TIP3 OH221827 2.536 -3.712 -1.618 5173TIP3 H121828 2.507 -3.651 -1.689 5173TIP3 H221829 2.552 -3.792 -1.671 5174TIP3 OH221830 1.634 -3.698 -1.081 5174TIP3 H121831 1.655 -3.667 -0.993 5174TIP3 H221832 1.592 -3.784 -1.061 5175TIP3 OH221833 1.968 -3.944 -2.422 5175TIP3 H121834 1.933 -3.978 -2.338 5175TIP3 H221835 1.888 -3.927 -2.473 5176TIP3 OH221836 1.313 -3.954 -1.717 5176TIP3 H121837 1.368 -3.955 -1.636 5176TIP3 H221838 1.370 -3.995 -1.783 5177TIP3 OH221839 1.471 -3.911 -2.145 5177TIP3 H121840 1.525 -3.859 -2.207 5177TIP3 H221841 1.400 -3.847 -2.125 5178TIP3 OH221842 2.444 -3.544 -1.174 5178TIP3 H121843 2.489 -3.617 -1.222 5178TIP3 H221844 2.413 -3.589 -1.094 5179TIP3 OH221845 2.167 -3.945 -1.676 5179TIP3 H121846 2.072 -3.957 -1.655 5179TIP3 H221847 2.208 -3.970 -1.591 5180TIP3 OH221848 1.624 -3.826 -1.804 5180TIP3 H121849 1.542 -3.797 -1.849 5180TIP3 H221850 1.649 -3.908 -1.852 5181TIP3 OH221851 1.987 -3.793 -2.036 5181TIP3 H121852 2.083 -3.782 -2.032 5181TIP3 H221853 1.959 -3.733 -2.107 5182TIP3 OH221854 2.601 -4.033 -1.373 5182TIP3 H121855 2.541 -4.034 -1.295 5182TIP3 H221856 2.539 -4.064 -1.441 5183TIP3 OH221857 1.834 -3.674 -2.259 5183TIP3 H121858 1.774 -3.695 -2.332 5183TIP3 H221859 1.914 -3.648 -2.307 5184TIP3 OH221860 2.906 -2.457 -0.704 5184TIP3 H121861 2.925 -2.414 -0.789 5184TIP3 H221862 2.977 -2.424 -0.647 5185TIP3 OH221863 1.696 -3.196 -0.762 5185TIP3 H121864 1.764 -3.186 -0.691 5185TIP3 H221865 1.616 -3.195 -0.706 5186TIP3 OH221866 2.268 -3.695 -1.489 5186TIP3 H121867 2.341 -3.739 -1.535 5186TIP3 H221868 2.251 -3.755 -1.414 5187TIP3 OH221869 1.781 -4.067 -1.868 5187TIP3 H121870 1.736 -4.152 -1.854 5187TIP3 H221871 1.867 -4.094 -1.902 5188TIP3 OH221872 2.165 -3.848 -1.263 5188TIP3 H121873 2.089 -3.788 -1.263 5188TIP3 H221874 2.214 -3.821 -1.183 5189TIP3 OH221875 2.180 -3.211 -2.075 5189TIP3 H121876 2.103 -3.260 -2.110 5189TIP3 H221877 2.159 -3.204 -1.979 5190TIP3 OH221878 2.902 -3.298 -1.201 5190TIP3 H121879 2.952 -3.241 -1.264 5190TIP3 H221880 2.816 -3.306 -1.247 5191TIP3 OH221881 2.597 -3.931 -2.314 5191TIP3 H121882 2.498 -3.939 -2.311 5191TIP3 H221883 2.615 -3.862 -2.246 5192TIP3 OH221884 2.341 -3.210 -0.943 5192TIP3 H121885 2.313 -3.239 -0.854 5192TIP3 H221886 2.314 -3.116 -0.943 5193TIP3 OH221887 2.662 -3.749 -2.100 5193TIP3 H121888 2.748 -3.760 -2.056 5193TIP3 H221889 2.668 -3.658 -2.135 5194TIP3 OH221890 1.694 -3.270 -1.492 5194TIP3 H121891 1.749 -3.282 -1.571 5194TIP3 H221892 1.702 -3.357 -1.449 5195TIP3 OH221893 2.418 -3.073 -2.184 5195TIP3 H121894 2.393 -2.987 -2.145 5195TIP3 H221895 2.343 -3.128 -2.155 5196TIP3 OH221896 1.420 -3.444 -0.967 5196TIP3 H121897 1.434 -3.489 -0.881 5196TIP3 H221898 1.356 -3.503 -1.012 5197TIP3 OH221899 2.116 -3.494 -0.767 5197TIP3 H121900 2.081 -3.517 -0.855 5197TIP3 H221901 2.210 -3.519 -0.778 5198TIP3 OH221902 2.568 -2.956 -0.995 5198TIP3 H121903 2.472 -2.940 -1.000 5198TIP3 H221904 2.588 -2.923 -0.905 5199TIP3 OH221905 3.121 -3.746 -2.118 5199TIP3 H121906 3.065 -3.761 -2.198 5199TIP3 H221907 3.135 -3.650 -2.130 5200TIP3 OH221908 3.168 -3.144 -0.838 5200TIP3 H121909 3.074 -3.121 -0.857 5200TIP3 H221910 3.201 -3.158 -0.929 5201TIP3 OH221911 2.935 -2.885 -2.115 5201TIP3 H121912 2.918 -2.957 -2.051 5201TIP3 H221913 3.000 -2.924 -2.175 5202TIP3 OH221914 2.668 -3.350 -1.370 5202TIP3 H121915 2.574 -3.364 -1.394 5202TIP3 H221916 2.711 -3.421 -1.421 5203TIP3 OH221917 1.931 -2.943 -1.771 5203TIP3 H121918 1.973 -2.856 -1.779 5203TIP3 H221919 1.839 -2.923 -1.788 5204TIP3 OH221920 1.530 -3.463 -2.306 5204TIP3 H121921 1.587 -3.394 -2.266 5204TIP3 H221922 1.442 -3.437 -2.271 5205TIP3 OH221923 2.114 -3.173 -1.806 5205TIP3 H121924 2.084 -3.082 -1.791 5205TIP3 H221925 2.043 -3.223 -1.762 5206TIP3 OH221926 2.131 -2.748 -1.170 5206TIP3 H121927 2.185 -2.671 -1.197 5206TIP3 H221928 2.192 -2.795 -1.112 5207TIP3 OH221929 1.975 -2.652 -1.847 5207TIP3 H121930 1.880 -2.637 -1.836 5207TIP3 H221931 2.011 -2.565 -1.821 5208TIP3 OH221932 2.469 -3.175 -1.214 5208TIP3 H121933 2.442 -3.197 -1.123 5208TIP3 H221934 2.546 -3.232 -1.227 5209TIP3 OH221935 2.688 -3.042 -2.321 5209TIP3 H121936 2.730 -3.086 -2.245 5209TIP3 H221937 2.595 -3.055 -2.295 5210TIP3 OH221938 2.763 -2.710 -0.972 5210TIP3 H121939 2.689 -2.755 -1.016 5210TIP3 H221940 2.781 -2.635 -1.031 5211TIP3 OH221941 3.165 -2.613 -2.274 5211TIP3 H121942 3.236 -2.547 -2.281 5211TIP3 H221943 3.088 -2.554 -2.265 5212TIP3 OH221944 1.552 -3.961 -1.007 5212TIP3 H121945 1.461 -3.942 -1.038 5212TIP3 H221946 1.536 -4.048 -0.964 5213TIP3 OH221947 2.783 -3.184 -2.086 5213TIP3 H121948 2.757 -3.252 -2.022 5213TIP3 H221949 2.880 -3.180 -2.073 5214TIP3 OH221950 1.527 -2.804 -1.166 5214TIP3 H121951 1.557 -2.894 -1.146 5214TIP3 H221952 1.546 -2.760 -1.083 5215TIP3 OH221953 2.113 -2.937 -2.464 5215TIP3 H121954 2.141 -3.017 -2.511 5215TIP3 H221955 2.070 -2.975 -2.385 5216TIP3 OH221956 1.998 -2.985 -2.193 5216TIP3 H121957 2.046 -3.036 -2.127 5216TIP3 H221958 2.011 -2.893 -2.160 5217TIP3 OH221959 1.681 -3.241 -2.152 5217TIP3 H121960 1.607 -3.203 -2.100 5217TIP3 H221961 1.727 -3.160 -2.180 5218TIP3 OH221962 2.446 -4.010 -1.144 5218TIP3 H121963 2.503 -3.980 -1.072 5218TIP3 H221964 2.406 -4.091 -1.107 5219TIP3 OH221965 2.531 -4.061 -2.027 5219TIP3 H121966 2.524 -3.999 -2.101 5219TIP3 H221967 2.555 -4.001 -1.954 5220TIP3 OH221968 2.290 -2.825 -2.131 5220TIP3 H121969 2.210 -2.774 -2.109 5220TIP3 H221970 2.327 -2.773 -2.203 5221TIP3 OH221971 2.258 -3.854 -1.925 5221TIP3 H121972 2.328 -3.786 -1.911 5221TIP3 H221973 2.225 -3.867 -1.834 5222TIP3 OH221974 2.288 -3.762 -1.015 5222TIP3 H121975 2.293 -3.709 -0.934 5222TIP3 H221976 2.346 -3.836 -0.993 5223TIP3 OH221977 2.331 -4.173 -1.822 5223TIP3 H121978 2.291 -4.098 -1.774 5223TIP3 H221979 2.378 -4.128 -1.893 5224TIP3 OH221980 2.011 -2.715 -2.129 5224TIP3 H121981 2.005 -2.633 -2.182 5224TIP3 H221982 1.997 -2.681 -2.039 5225TIP3 OH221983 1.880 -4.050 -2.177 5225TIP3 H121984 1.882 -3.969 -2.124 5225TIP3 H221985 1.968 -4.087 -2.155 5226TIP3 OH221986 2.925 -3.963 -0.932 5226TIP3 H121987 2.829 -3.952 -0.942 5226TIP3 H221988 2.946 -3.988 -1.023 5227TIP3 OH221989 2.769 -3.575 -1.525 5227TIP3 H121990 2.685 -3.619 -1.548 5227TIP3 H221991 2.816 -3.646 -1.476 5228TIP3 OH221992 1.724 -2.960 -2.276 5228TIP3 H121993 1.796 -2.910 -2.236 5228TIP3 H221994 1.774 -3.010 -2.342 5229TIP3 OH221995 1.539 -3.744 -2.366 5229TIP3 H121996 1.550 -3.650 -2.342 5229TIP3 H221997 1.451 -3.744 -2.406 5230TIP3 OH221998 1.558 -4.242 -1.465 5230TIP3 H121999 1.592 -4.241 -1.555 5230TIP3 H222000 1.573 -4.335 -1.443 5231TIP3 OH222001 1.518 -2.892 -1.860 5231TIP3 H122002 1.443 -2.838 -1.831 5231TIP3 H222003 1.557 -2.836 -1.929 5232TIP3 OH222004 1.457 -2.594 -0.739 5232TIP3 H122005 1.513 -2.621 -0.663 5232TIP3 H222006 1.417 -2.678 -0.766 5233TIP3 OH222007 1.923 -2.695 -0.563 5233TIP3 H122008 1.998 -2.754 -0.543 5233TIP3 H222009 1.906 -2.718 -0.656 5234TIP3 OH222010 2.334 -2.766 -2.415 5234TIP3 H122011 2.257 -2.826 -2.421 5234TIP3 H222012 2.404 -2.824 -2.450 5235TIP3 OH222013 2.578 -2.867 -0.708 5235TIP3 H122014 2.538 -2.947 -0.669 5235TIP3 H222015 2.645 -2.842 -0.642 5236TIP3 OH222016 2.798 -2.777 -2.404 5236TIP3 H122017 2.811 -2.855 -2.347 5236TIP3 H222018 2.880 -2.777 -2.457 5237TIP3 OH222019 1.455 -3.236 -0.631 5237TIP3 H122020 1.464 -3.325 -0.667 5237TIP3 H222021 1.378 -3.204 -0.682 5238TIP3 OH222022 1.877 -3.193 -2.430 5238TIP3 H122023 1.892 -3.251 -2.353 5238TIP3 H222024 1.964 -3.197 -2.474 5239TIP3 OH222025 2.119 -3.216 -0.697 5239TIP3 H122026 2.088 -3.182 -0.782 5239TIP3 H222027 2.124 -3.313 -0.713 5240TIP3 OH222028 2.402 -3.059 -2.468 5240TIP3 H122029 2.396 -3.064 -2.371 5240TIP3 H222030 2.395 -3.155 -2.490 5241TIP3 OH222031 2.656 -3.253 -0.959 5241TIP3 H122032 2.735 -3.200 -0.976 5241TIP3 H222033 2.587 -3.185 -0.959 5242TIP3 OH222034 1.541 -3.523 -0.714 5242TIP3 H122035 1.616 -3.586 -0.712 5242TIP3 H222036 1.536 -3.499 -0.620 5243TIP3 OH222037 1.985 -3.385 -2.196 5243TIP3 H122038 1.924 -3.435 -2.140 5243TIP3 H222039 2.015 -3.454 -2.259 5244TIP3 OH222040 1.908 -3.609 -0.970 5244TIP3 H122041 1.852 -3.531 -0.951 5244TIP3 H222042 1.972 -3.572 -1.033 5245TIP3 OH222043 2.080 -3.584 -2.370 5245TIP3 H122044 2.076 -3.575 -2.467 5245TIP3 H222045 2.176 -3.587 -2.355 5246TIP3 OH222046 2.437 -3.338 -0.615 5246TIP3 H122047 2.528 -3.356 -0.645 5246TIP3 H222048 2.413 -3.422 -0.573 5247TIP3 OH222049 3.032 -3.332 -2.438 5247TIP3 H122050 3.021 -3.372 -2.525 5247TIP3 H222051 3.022 -3.237 -2.460 5248TIP3 OH222052 1.966 -3.879 -0.860 5248TIP3 H122053 1.974 -3.943 -0.932 5248TIP3 H222054 1.945 -3.797 -0.908 5249TIP3 OH222055 2.005 -4.039 -1.119 5249TIP3 H122056 2.057 -3.980 -1.178 5249TIP3 H222057 1.913 -4.025 -1.151 5250TIP3 OH222058 2.155 -3.488 -1.072 5250TIP3 H122059 2.240 -3.493 -1.119 5250TIP3 H222060 2.123 -3.400 -1.101 5251TIP3 OH222061 2.611 -3.694 -0.595 5251TIP3 H122062 2.633 -3.786 -0.576 5251TIP3 H222063 2.700 -3.653 -0.597 5252TIP3 OH222064 2.711 -3.415 -0.745 5252TIP3 H122065 2.675 -3.353 -0.812 5252TIP3 H222066 2.801 -3.428 -0.782 5253TIP3 OH222067 1.789 -3.697 -0.674 5253TIP3 H122068 1.736 -3.778 -0.676 5253TIP3 H222069 1.869 -3.725 -0.722 5254TIP3 OH222070 2.051 -4.278 -0.998 5254TIP3 H122071 2.066 -4.187 -1.031 5254TIP3 H222072 1.957 -4.285 -1.015 5255TIP3 OH222073 2.200 -3.845 -0.700 5255TIP3 H122074 2.168 -3.871 -0.612 5255TIP3 H222075 2.119 -3.863 -0.752 5256TIP3 OH222076 2.458 -3.946 -0.803 5256TIP3 H122077 2.370 -3.930 -0.765 5256TIP3 H222078 2.496 -4.009 -0.739 5257TIP3 OH222079 2.632 -4.137 -0.633 5257TIP3 H122080 2.618 -4.224 -0.594 5257TIP3 H222081 2.618 -4.077 -0.558 5258TIP3 OH222082 1.668 -3.960 -0.689 5258TIP3 H122083 1.640 -4.020 -0.761 5258TIP3 H222084 1.621 -3.997 -0.613 5259TIP3 OH222085 2.163 -4.147 -0.589 5259TIP3 H122086 2.139 -4.228 -0.636 5259TIP3 H222087 2.078 -4.098 -0.584 5260TIP3 OH222088 2.058 -2.462 -2.261 5260TIP3 H122089 2.153 -2.447 -2.248 5260TIP3 H222090 2.043 -2.413 -2.343 5261TIP3 OH222091 1.448 -3.020 -2.307 5261TIP3 H122092 1.543 -3.001 -2.293 5261TIP3 H222093 1.451 -3.099 -2.365 5262TIP3 OH222094 1.349 -2.502 -1.834 5262TIP3 H122095 1.276 -2.539 -1.887 5262TIP3 H222096 1.358 -2.570 -1.764 5263TIP3 OH222097 1.388 -2.700 -1.635 5263TIP3 H122098 1.357 -2.786 -1.602 5263TIP3 H222099 1.421 -2.662 -1.552 5264TIP3 OH222100 3.133 -2.622 -1.017 5264TIP3 H122101 3.106 -2.663 -1.101 5264TIP3 H222102 3.184 -2.693 -0.976 5265TIP3 OH222103 2.931 -3.087 -0.614 5265TIP3 H122104 2.842 -3.076 -0.578 5265TIP3 H222105 2.975 -3.004 -0.589 5266TIP3 OH222106 3.072 -3.195 -2.045 5266TIP3 H122107 3.162 -3.162 -2.027 5266TIP3 H222108 3.062 -3.257 -1.971 5267TIP3 OH222109 3.117 -3.401 -1.849 5267TIP3 H122110 3.050 -3.454 -1.802 5267TIP3 H222111 3.184 -3.385 -1.779 5268TIP3 OH222112 3.083 -3.152 -1.346 5268TIP3 H122113 3.149 -3.190 -1.405 5268TIP3 H222114 3.089 -3.058 -1.371 5269TIP3 OH222115 2.953 -2.878 -1.110 5269TIP3 H122116 2.891 -2.812 -1.074 5269TIP3 H222117 2.926 -2.883 -1.204 5270TIP3 OH222118 3.142 -3.455 -2.188 5270TIP3 H122119 3.092 -3.425 -2.266 5270TIP3 H222120 3.129 -3.381 -2.127 5271TIP3 OH222121 2.973 -3.701 -2.362 5271TIP3 H122122 2.996 -3.637 -2.430 5271TIP3 H222123 2.945 -3.778 -2.415 5272TIP3 OH222124 2.911 -3.586 -1.764 5272TIP3 H122125 2.900 -3.681 -1.779 5272TIP3 H222126 2.873 -3.574 -1.674 5273TIP3 OH222127 1.394 -3.366 -1.395 5273TIP3 H122128 1.420 -3.358 -1.488 5273TIP3 H222129 1.481 -3.385 -1.354 5274TIP3 OH222130 2.970 -3.395 -0.850 5274TIP3 H122131 3.046 -3.453 -0.831 5274TIP3 H222132 3.013 -3.310 -0.871 5275TIP3 OH222133 3.128 -3.584 -0.729 5275TIP3 H122134 3.047 -3.636 -0.752 5275TIP3 H222135 3.196 -3.653 -0.731 5276TIP3 OH222136 2.911 -3.969 -2.448 5276TIP3 H122137 2.968 -4.012 -2.381 5276TIP3 H222138 2.827 -4.017 -2.440 5277TIP3 OH222139 2.895 -3.836 -1.945 5277TIP3 H122140 2.922 -3.929 -1.943 5277TIP3 H222141 2.973 -3.795 -1.987 5278TIP3 OH222142 2.920 -3.776 -1.407 5278TIP3 H122143 3.017 -3.766 -1.407 5278TIP3 H222144 2.903 -3.775 -1.311 5279TIP3 OH222145 2.933 -3.706 -1.123 5279TIP3 H122146 2.850 -3.665 -1.094 5279TIP3 H222147 2.989 -3.628 -1.142 5280TIP3 OH222148 1.381 -3.836 -0.741 5280TIP3 H122149 1.473 -3.859 -0.760 5280TIP3 H222150 1.336 -3.922 -0.745 5281TIP3 OH222151 3.151 -4.278 -0.543 5281TIP3 H122152 3.203 -4.356 -0.564 5281TIP3 H222153 3.155 -4.219 -0.622 5282TIP3 OH222154 2.943 -4.120 -1.945 5282TIP3 H122155 2.939 -4.144 -1.851 5282TIP3 H222156 2.865 -4.166 -1.980 5283TIP3 OH222157 1.458 -3.991 -1.478 5283TIP3 H122158 1.489 -4.083 -1.462 5283TIP3 H222159 1.529 -3.939 -1.436 5284TIP3 OH222160 1.319 -3.728 -1.369 5284TIP3 H122161 1.373 -3.729 -1.448 5284TIP3 H222162 1.353 -3.650 -1.323 5285TIP3 OH222163 3.130 -4.111 -0.759 5285TIP3 H122164 3.044 -4.064 -0.751 5285TIP3 H222165 3.120 -4.146 -0.849 5286TIP3 OH222166 3.134 -4.065 -2.273 5286TIP3 H122167 3.158 -4.144 -2.324 5286TIP3 H222168 3.216 -4.013 -2.273 5287TIP3 OH222169 1.371 -4.105 -1.969 5287TIP3 H122170 1.276 -4.092 -1.983 5287TIP3 H222171 1.410 -4.033 -2.024 5288TIP3 OH222172 2.827 -2.562 -1.754 5288TIP3 H122173 2.879 -2.593 -1.830 5288TIP3 H222174 2.897 -2.536 -1.692 5289TIP3 OH222175 1.352 -4.128 -1.112 5289TIP3 H122176 1.348 -4.222 -1.087 5289TIP3 H222177 1.324 -4.131 -1.205 5290TIP3 OH222178 1.569 -2.901 -0.682 5290TIP3 H122179 1.496 -2.896 -0.745 5290TIP3 H222180 1.524 -2.895 -0.597 5291TIP3 OH222181 1.854 -2.799 -1.115 5291TIP3 H122182 1.822 -2.713 -1.149 5291TIP3 H222183 1.950 -2.788 -1.132 5292TIP3 OH222184 2.306 -2.671 -0.814 5292TIP3 H122185 2.319 -2.683 -0.718 5292TIP3 H222186 2.388 -2.622 -0.839 5293TIP3 OH222187 2.533 -2.522 -0.889 5293TIP3 H122188 2.604 -2.584 -0.912 5293TIP3 H222189 2.563 -2.491 -0.801 5294TIP3 OH222190 2.993 -4.277 -0.969 5294TIP3 H122191 2.944 -4.213 -1.023 5294TIP3 H222192 3.004 -4.348 -1.034 5295TIP3 OH222193 1.591 -2.506 -1.081 5295TIP3 H122194 1.532 -2.443 -1.125 5295TIP3 H222195 1.562 -2.495 -0.989 5296TIP3 OH222196 1.840 -2.527 -1.227 5296TIP3 H122197 1.756 -2.507 -1.182 5296TIP3 H222198 1.845 -2.455 -1.294 5297TIP3 OH222199 2.316 -2.525 -1.270 5297TIP3 H122200 2.278 -2.479 -1.347 5297TIP3 H222201 2.325 -2.452 -1.206 5298TIP3 OH222202 2.548 -2.657 -1.179 5298TIP3 H122203 2.465 -2.615 -1.209 5298TIP3 H222204 2.610 -2.582 -1.184 5299TIP3 OH222205 2.808 -2.498 -1.177 5299TIP3 H122206 2.799 -2.404 -1.200 5299TIP3 H222207 2.858 -2.529 -1.255 5300TIP3 OH222208 1.550 -2.623 -1.388 5300TIP3 H122209 1.546 -2.671 -1.302 5300TIP3 H222210 1.627 -2.667 -1.429 5301TIP3 OH222211 1.752 -2.749 -1.545 5301TIP3 H122212 1.736 -2.840 -1.515 5301TIP3 H222213 1.842 -2.732 -1.511 5302TIP3 OH222214 2.026 -2.702 -1.454 5302TIP3 H122215 2.046 -2.796 -1.474 5302TIP3 H222216 2.034 -2.703 -1.357 5303TIP3 OH222217 2.359 -4.112 -1.523 5303TIP3 H122218 2.294 -4.181 -1.496 5303TIP3 H222219 2.414 -4.161 -1.585 5304TIP3 OH222220 2.886 -4.334 -1.482 5304TIP3 H122221 2.940 -4.283 -1.543 5304TIP3 H222222 2.796 -4.309 -1.507 5305TIP3 OH222223 3.091 -4.227 -1.712 5305TIP3 H122224 3.157 -4.207 -1.778 5305TIP3 H222225 3.087 -4.139 -1.668 5306TIP3 OH222226 1.594 -4.285 -1.797 5306TIP3 H122227 1.501 -4.304 -1.812 5306TIP3 H222228 1.627 -4.364 -1.753 5307TIP3 OH222229 1.449 -4.291 -2.168 5307TIP3 H122230 1.496 -4.243 -2.239 5307TIP3 H222231 1.416 -4.217 -2.114 5308TIP3 OH222232 2.042 -4.228 -1.769 5308TIP3 H122233 2.137 -4.235 -1.784 5308TIP3 H222234 2.027 -4.292 -1.698 5309TIP3 OH222235 2.607 -4.266 -1.628 5309TIP3 H122236 2.624 -4.265 -1.722 5309TIP3 H222237 2.583 -4.358 -1.611 5310TIP3 OH222238 2.712 -4.274 -2.044 5310TIP3 H122239 2.637 -4.211 -2.052 5310TIP3 H222240 2.666 -4.359 -2.035 5311TIP3 OH222241 1.492 -2.697 -2.066 5311TIP3 H122242 1.428 -2.706 -2.138 5311TIP3 H222243 1.491 -2.601 -2.054 5312TIP3 OH222244 1.642 -4.128 -2.325 5312TIP3 H122245 1.714 -4.160 -2.383 5312TIP3 H222246 1.694 -4.074 -2.262 5313TIP3 OH222247 2.170 -4.060 -2.098 5313TIP3 H122248 2.172 -4.144 -2.048 5313TIP3 H222249 2.183 -3.992 -2.029 5314TIP3 OH222250 2.363 -2.512 -2.253 5314TIP3 H122251 2.460 -2.513 -2.255 5314TIP3 H222252 2.342 -2.579 -2.320 5315TIP3 OH222253 3.017 -2.612 -1.997 5315TIP3 H122254 2.989 -2.695 -2.041 5315TIP3 H222255 3.004 -2.547 -2.067 5316TIP3 OH222256 1.555 -4.179 -0.846 5316TIP3 H122257 1.510 -4.258 -0.815 5316TIP3 H222258 1.644 -4.216 -0.857 5317TIP3 OH222259 1.848 -4.279 -0.582 5317TIP3 H122260 1.935 -4.305 -0.619 5317TIP3 H222261 1.824 -4.357 -0.531 5318TIP3 OH222262 1.637 -2.603 -2.384 5318TIP3 H122263 1.614 -2.573 -2.295 5318TIP3 H222264 1.716 -2.657 -2.369 5319TIP3 OH222265 2.960 -2.737 -0.751 5319TIP3 H122266 2.891 -2.754 -0.818 5319TIP3 H222267 2.947 -2.641 -0.738 5320TIP3 OH222268 4.300 -3.437 -1.432 5320TIP3 H122269 4.256 -3.471 -1.352 5320TIP3 H222270 4.242 -3.472 -1.502 5321TIP3 OH222271 3.521 -3.467 -1.270 5321TIP3 H122272 3.514 -3.539 -1.204 5321TIP3 H222273 3.583 -3.407 -1.225 5322TIP3 OH222274 3.585 -2.997 -1.418 5322TIP3 H122275 3.555 -3.087 -1.441 5322TIP3 H222276 3.678 -3.014 -1.396 5323TIP3 OH222277 3.279 -3.665 -1.880 5323TIP3 H122278 3.246 -3.575 -1.866 5323TIP3 H222279 3.204 -3.706 -1.923 5324TIP3 OH222280 3.361 -3.415 -1.697 5324TIP3 H122281 3.376 -3.495 -1.643 5324TIP3 H222282 3.446 -3.403 -1.739 5325TIP3 OH222283 4.123 -3.179 -1.365 5325TIP3 H122284 4.161 -3.230 -1.438 5325TIP3 H222285 4.200 -3.133 -1.331 5326TIP3 OH222286 3.744 -3.941 -1.617 5326TIP3 H122287 3.760 -3.856 -1.661 5326TIP3 H222288 3.708 -3.993 -1.692 5327TIP3 OH222289 3.413 -3.663 -1.569 5327TIP3 H122290 3.472 -3.711 -1.510 5327TIP3 H222291 3.422 -3.714 -1.652 5328TIP3 OH222292 3.957 -3.530 -1.619 5328TIP3 H122293 4.027 -3.590 -1.586 5328TIP3 H222294 3.901 -3.592 -1.669 5329TIP3 OH222295 3.624 -4.055 -1.202 5329TIP3 H122296 3.588 -3.998 -1.273 5329TIP3 H222297 3.557 -4.039 -1.133 5330TIP3 OH222298 3.915 -3.275 -1.190 5330TIP3 H122299 3.841 -3.217 -1.161 5330TIP3 H222300 3.977 -3.211 -1.228 5331TIP3 OH222301 3.583 -3.855 -1.408 5331TIP3 H122302 3.645 -3.794 -1.363 5331TIP3 H222303 3.641 -3.890 -1.479 5332TIP3 OH222304 3.716 -3.084 -1.117 5332TIP3 H122305 3.713 -2.992 -1.149 5332TIP3 H222306 3.628 -3.088 -1.074 5333TIP3 OH222307 3.347 -3.115 -2.032 5333TIP3 H122308 3.326 -3.062 -2.111 5333TIP3 H222309 3.366 -3.045 -1.965 5334TIP3 OH222310 4.047 4.380 -1.480 5334TIP3 H122311 4.048 4.284 -1.464 5334TIP3 H222312 3.959 4.408 -1.446 5335TIP3 OH222313 4.276 -3.420 -2.022 5335TIP3 H122314 4.204 -3.354 -2.034 5335TIP3 H222315 4.330 -3.400 -2.098 5336TIP3 OH222316 4.286 -3.580 -2.309 5336TIP3 H122317 4.366 -3.585 -2.255 5336TIP3 H222318 4.292 -3.660 -2.363 5337TIP3 OH222319 3.760 -3.339 -1.730 5337TIP3 H122320 3.726 -3.380 -1.812 5337TIP3 H222321 3.823 -3.404 -1.698 5338TIP3 OH222322 3.895 -3.001 -1.454 5338TIP3 H122323 3.886 -3.037 -1.543 5338TIP3 H222324 3.976 -3.045 -1.422 5339TIP3 OH222325 3.820 -3.461 -1.381 5339TIP3 H122326 3.875 -3.452 -1.460 5339TIP3 H222327 3.852 -3.389 -1.323 5340TIP3 OH222328 3.903 -3.023 -0.900 5340TIP3 H122329 3.852 -2.957 -0.850 5340TIP3 H222330 3.838 -3.048 -0.968 5341TIP3 OH222331 3.594 -3.387 -0.986 5341TIP3 H122332 3.601 -3.328 -0.909 5341TIP3 H222333 3.498 -3.398 -0.993 5342TIP3 OH222334 4.249 -2.815 -1.808 5342TIP3 H122335 4.299 -2.762 -1.745 5342TIP3 H222336 4.199 -2.746 -1.855 5343TIP3 OH222337 3.712 -2.807 -0.816 5343TIP3 H122338 3.701 -2.802 -0.912 5343TIP3 H222339 3.623 -2.832 -0.785 5344TIP3 OH222340 3.650 -3.464 -1.976 5344TIP3 H122341 3.631 -3.386 -2.032 5344TIP3 H222342 3.581 -3.525 -2.005 5345TIP3 OH222343 3.260 -3.197 -1.104 5345TIP3 H122344 3.212 -3.192 -1.190 5345TIP3 H222345 3.267 -3.292 -1.089 5346TIP3 OH222346 3.273 -2.927 -1.416 5346TIP3 H122347 3.367 -2.924 -1.395 5346TIP3 H222348 3.238 -2.847 -1.371 5347TIP3 OH222349 4.172 -2.924 -0.950 5347TIP3 H122350 4.183 -2.836 -0.911 5347TIP3 H222351 4.080 -2.947 -0.926 5348TIP3 OH222352 4.185 -2.539 -1.959 5348TIP3 H122353 4.206 -2.533 -2.053 5348TIP3 H222354 4.207 -2.451 -1.925 5349TIP3 OH222355 3.575 -2.628 -1.795 5349TIP3 H122356 3.589 -2.669 -1.707 5349TIP3 H222357 3.486 -2.660 -1.816 5350TIP3 OH222358 3.477 -3.043 -0.980 5350TIP3 H122359 3.502 -3.090 -0.898 5350TIP3 H222360 3.401 -3.094 -1.013 5351TIP3 OH222361 3.793 -4.217 -1.390 5351TIP3 H122362 3.706 -4.233 -1.428 5351TIP3 H222363 3.776 -4.136 -1.340 5352TIP3 OH222364 4.225 -4.300 -1.026 5352TIP3 H122365 4.255 -4.324 -0.937 5352TIP3 H222366 4.130 -4.285 -1.012 5353TIP3 OH222367 4.227 -3.990 -2.307 5353TIP3 H122368 4.161 -4.002 -2.237 5353TIP3 H222369 4.189 -4.050 -2.374 5354TIP3 OH222370 3.781 -3.715 -1.261 5354TIP3 H122371 3.719 -3.705 -1.186 5354TIP3 H222372 3.785 -3.624 -1.297 5355TIP3 OH222373 3.776 -3.708 -1.772 5355TIP3 H122374 3.680 -3.713 -1.788 5355TIP3 H222375 3.810 -3.726 -1.862 5356TIP3 OH222376 4.282 -3.688 -1.964 5356TIP3 H122377 4.255 -3.594 -1.959 5356TIP3 H222378 4.366 -3.681 -2.010 5357TIP3 OH222379 4.248 -3.626 -0.746 5357TIP3 H122380 4.193 -3.706 -0.728 5357TIP3 H222381 4.336 -3.669 -0.744 5358TIP3 OH222382 3.523 -3.700 -1.080 5358TIP3 H122383 3.538 -3.666 -0.991 5358TIP3 H222384 3.479 -3.785 -1.061 5359TIP3 OH222385 3.861 -3.940 -2.420 5359TIP3 H122386 3.821 -3.978 -2.340 5359TIP3 H222387 3.785 -3.923 -2.476 5360TIP3 OH222388 3.195 -3.964 -1.714 5360TIP3 H122389 3.249 -3.953 -1.633 5360TIP3 H222390 3.262 -3.985 -1.780 5361TIP3 OH222391 3.356 -3.913 -2.141 5361TIP3 H122392 3.410 -3.863 -2.205 5361TIP3 H222393 3.286 -3.848 -2.124 5362TIP3 OH222394 4.334 -3.562 -1.162 5362TIP3 H122395 4.380 -3.640 -1.202 5362TIP3 H222396 4.277 -3.609 -1.099 5363TIP3 OH222397 4.049 -3.948 -1.657 5363TIP3 H122398 3.955 -3.965 -1.638 5363TIP3 H222399 4.093 -3.980 -1.577 5364TIP3 OH222400 3.505 -3.830 -1.801 5364TIP3 H122401 3.429 -3.795 -1.852 5364TIP3 H222402 3.535 -3.906 -1.853 5365TIP3 OH222403 3.870 -3.786 -2.033 5365TIP3 H122404 3.966 -3.777 -2.037 5365TIP3 H222405 3.839 -3.734 -2.109 5366TIP3 OH222406 3.724 -3.674 -2.260 5366TIP3 H122407 3.663 -3.694 -2.333 5366TIP3 H222408 3.805 -3.652 -2.309 5367TIP3 OH222409 3.583 -3.197 -0.761 5367TIP3 H122410 3.649 -3.187 -0.690 5367TIP3 H222411 3.501 -3.196 -0.707 5368TIP3 OH222412 4.162 -3.697 -1.516 5368TIP3 H122413 4.207 -3.765 -1.570 5368TIP3 H222414 4.148 -3.747 -1.434 5369TIP3 OH222415 3.667 -4.066 -1.869 5369TIP3 H122416 3.626 -4.153 -1.854 5369TIP3 H222417 3.753 -4.090 -1.906 5370TIP3 OH222418 4.055 -3.843 -1.271 5370TIP3 H122419 3.975 -3.789 -1.269 5370TIP3 H222420 4.101 -3.815 -1.189 5371TIP3 OH222421 4.074 -3.229 -2.069 5371TIP3 H122422 3.994 -3.269 -2.108 5371TIP3 H222423 4.047 -3.214 -1.975 5372TIP3 OH222424 4.221 -3.215 -0.954 5372TIP3 H122425 4.186 -3.240 -0.868 5372TIP3 H222426 4.210 -3.118 -0.954 5373TIP3 OH222427 3.579 -3.272 -1.492 5373TIP3 H122428 3.634 -3.282 -1.571 5373TIP3 H222429 3.588 -3.359 -1.448 5374TIP3 OH222430 4.287 -3.083 -2.174 5374TIP3 H122431 4.260 -2.993 -2.147 5374TIP3 H222432 4.210 -3.135 -2.142 5375TIP3 OH222433 3.307 -3.447 -0.968 5375TIP3 H122434 3.319 -3.488 -0.881 5375TIP3 H222435 3.242 -3.505 -1.011 5376TIP3 OH222436 4.002 -3.490 -0.765 5376TIP3 H122437 3.965 -3.525 -0.848 5376TIP3 H222438 4.095 -3.519 -0.772 5377TIP3 OH222439 3.816 -2.943 -1.769 5377TIP3 H122440 3.856 -2.855 -1.778 5377TIP3 H222441 3.723 -2.922 -1.786 5378TIP3 OH222442 3.416 -3.463 -2.305 5378TIP3 H122443 3.473 -3.394 -2.266 5378TIP3 H222444 3.328 -3.435 -2.273 5379TIP3 OH222445 3.996 -3.175 -1.803 5379TIP3 H122446 3.971 -3.082 -1.791 5379TIP3 H222447 3.918 -3.220 -1.765 5380TIP3 OH222448 4.021 -2.745 -1.167 5380TIP3 H122449 4.077 -2.672 -1.201 5380TIP3 H222450 4.085 -2.793 -1.113 5381TIP3 OH222451 3.860 -2.652 -1.847 5381TIP3 H122452 3.764 -2.638 -1.835 5381TIP3 H222453 3.896 -2.566 -1.821 5382TIP3 OH222454 3.438 -3.964 -1.012 5382TIP3 H122455 3.345 -3.944 -1.038 5382TIP3 H222456 3.423 -4.047 -0.962 5383TIP3 OH222457 3.420 -2.802 -1.162 5383TIP3 H122458 3.440 -2.894 -1.146 5383TIP3 H222459 3.437 -2.763 -1.076 5384TIP3 OH222460 3.993 -2.933 -2.463 5384TIP3 H122461 4.029 -3.009 -2.513 5384TIP3 H222462 3.957 -2.977 -2.384 5385TIP3 OH222463 3.887 -2.990 -2.188 5385TIP3 H122464 3.934 -3.037 -2.118 5385TIP3 H222465 3.897 -2.897 -2.160 5386TIP3 OH222466 3.567 -3.242 -2.151 5386TIP3 H122467 3.493 -3.203 -2.100 5386TIP3 H222468 3.613 -3.161 -2.180 5387TIP3 OH222469 4.330 -3.928 -1.091 5387TIP3 H122470 4.401 -3.994 -1.103 5387TIP3 H222471 4.273 -3.963 -1.161 5388TIP3 OH222472 4.167 -2.826 -2.136 5388TIP3 H122473 4.089 -2.773 -2.112 5388TIP3 H222474 4.211 -2.766 -2.198 5389TIP3 OH222475 4.141 -3.908 -1.912 5389TIP3 H122476 4.199 -3.829 -1.921 5389TIP3 H222477 4.109 -3.897 -1.819 5390TIP3 OH222478 4.153 -3.756 -1.003 5390TIP3 H122479 4.180 -3.711 -0.922 5390TIP3 H222480 4.222 -3.826 -1.010 5391TIP3 OH222481 4.205 -4.173 -1.799 5391TIP3 H122482 4.173 -4.084 -1.774 5391TIP3 H222483 4.272 -4.152 -1.867 5392TIP3 OH222484 3.893 -2.718 -2.130 5392TIP3 H122485 3.891 -2.636 -2.184 5392TIP3 H222486 3.880 -2.683 -2.040 5393TIP3 OH222487 3.766 -4.051 -2.177 5393TIP3 H122488 3.767 -3.968 -2.126 5393TIP3 H222489 3.857 -4.083 -2.157 5394TIP3 OH222490 3.611 -2.962 -2.275 5394TIP3 H122491 3.681 -2.909 -2.235 5394TIP3 H222492 3.662 -3.010 -2.342 5395TIP3 OH222493 3.421 -3.746 -2.361 5395TIP3 H122494 3.436 -3.651 -2.341 5395TIP3 H222495 3.337 -3.742 -2.409 5396TIP3 OH222496 3.455 -4.241 -1.463 5396TIP3 H122497 3.487 -4.249 -1.554 5396TIP3 H222498 3.451 -4.334 -1.438 5397TIP3 OH222499 3.404 -2.899 -1.868 5397TIP3 H122500 3.339 -2.845 -1.820 5397TIP3 H222501 3.443 -2.834 -1.929 5398TIP3 OH222502 3.351 -2.598 -0.744 5398TIP3 H122503 3.403 -2.628 -0.668 5398TIP3 H222504 3.307 -2.681 -0.772 5399TIP3 OH222505 3.818 -2.691 -0.564 5399TIP3 H122506 3.883 -2.761 -0.544 5399TIP3 H222507 3.790 -2.717 -0.654 5400TIP3 OH222508 4.231 -2.768 -2.432 5400TIP3 H122509 4.147 -2.819 -2.430 5400TIP3 H222510 4.293 -2.841 -2.445 5401TIP3 OH222511 3.341 -3.235 -0.631 5401TIP3 H122512 3.350 -3.326 -0.666 5401TIP3 H222513 3.264 -3.204 -0.681 5402TIP3 OH222514 3.762 -3.193 -2.430 5402TIP3 H122515 3.780 -3.251 -2.354 5402TIP3 H222516 3.848 -3.195 -2.476 5403TIP3 OH222517 4.012 -3.213 -0.701 5403TIP3 H122518 3.975 -3.181 -0.785 5403TIP3 H222519 4.015 -3.310 -0.713 5404TIP3 OH222520 4.261 -3.060 -2.474 5404TIP3 H122521 4.278 -3.049 -2.379 5404TIP3 H222522 4.244 -3.156 -2.479 5405TIP3 OH222523 3.428 -3.523 -0.714 5405TIP3 H122524 3.501 -3.586 -0.711 5405TIP3 H222525 3.421 -3.499 -0.621 5406TIP3 OH222526 3.871 -3.387 -2.197 5406TIP3 H122527 3.808 -3.437 -2.143 5406TIP3 H222528 3.902 -3.455 -2.259 5407TIP3 OH222529 3.798 -3.605 -0.967 5407TIP3 H122530 3.738 -3.531 -0.949 5407TIP3 H222531 3.852 -3.569 -1.040 5408TIP3 OH222532 3.978 -3.586 -2.367 5408TIP3 H122533 3.969 -3.578 -2.464 5408TIP3 H222534 4.074 -3.572 -2.357 5409TIP3 OH222535 4.284 -3.359 -0.601 5409TIP3 H122536 4.358 -3.391 -0.653 5409TIP3 H222537 4.267 -3.439 -0.547 5410TIP3 OH222538 3.855 -3.878 -0.856 5410TIP3 H122539 3.862 -3.943 -0.927 5410TIP3 H222540 3.838 -3.796 -0.905 5411TIP3 OH222541 3.892 -4.037 -1.122 5411TIP3 H122542 3.939 -3.977 -1.182 5411TIP3 H222543 3.798 -4.026 -1.150 5412TIP3 OH222544 4.063 -3.489 -1.078 5412TIP3 H122545 4.138 -3.491 -1.137 5412TIP3 H222546 4.024 -3.401 -1.095 5413TIP3 OH222547 3.675 -3.697 -0.677 5413TIP3 H122548 3.621 -3.778 -0.676 5413TIP3 H222549 3.755 -3.728 -0.722 5414TIP3 OH222550 3.941 -4.275 -0.998 5414TIP3 H122551 3.944 -4.183 -1.033 5414TIP3 H222552 3.850 -4.298 -1.019 5415TIP3 OH222553 4.103 -3.852 -0.703 5415TIP3 H122554 4.075 -3.889 -0.618 5415TIP3 H222555 4.026 -3.875 -0.758 5416TIP3 OH222556 3.548 -3.958 -0.691 5416TIP3 H122557 3.525 -4.023 -0.760 5416TIP3 H222558 3.510 -3.998 -0.612 5417TIP3 OH222559 4.054 -4.144 -0.589 5417TIP3 H122560 4.032 -4.230 -0.631 5417TIP3 H222561 3.967 -4.101 -0.583 5418TIP3 OH222562 3.957 -2.465 -2.260 5418TIP3 H122563 4.052 -2.455 -2.250 5418TIP3 H222564 3.942 -2.412 -2.340 5419TIP3 OH222565 3.334 -3.020 -2.308 5419TIP3 H122566 3.429 -3.001 -2.293 5419TIP3 H222567 3.337 -3.099 -2.365 5420TIP3 OH222568 3.237 -2.503 -1.832 5420TIP3 H122569 3.161 -2.538 -1.883 5420TIP3 H222570 3.246 -2.570 -1.761 5421TIP3 OH222571 3.286 -2.704 -1.641 5421TIP3 H122572 3.243 -2.785 -1.608 5421TIP3 H222573 3.280 -2.652 -1.559 5422TIP3 OH222574 3.280 -3.371 -1.395 5422TIP3 H122575 3.304 -3.355 -1.487 5422TIP3 H222576 3.368 -3.385 -1.355 5423TIP3 OH222577 3.266 -3.836 -0.744 5423TIP3 H122578 3.359 -3.860 -0.755 5423TIP3 H222579 3.223 -3.922 -0.744 5424TIP3 OH222580 3.345 -3.995 -1.478 5424TIP3 H122581 3.381 -4.085 -1.462 5424TIP3 H222582 3.414 -3.940 -1.437 5425TIP3 OH222583 3.204 -3.730 -1.374 5425TIP3 H122584 3.263 -3.724 -1.450 5425TIP3 H222585 3.235 -3.655 -1.320 5426TIP3 OH222586 3.239 -4.128 -1.972 5426TIP3 H122587 3.148 -4.096 -1.983 5426TIP3 H222588 3.290 -4.056 -2.015 5427TIP3 OH222589 3.226 -4.127 -1.111 5427TIP3 H122590 3.240 -4.220 -1.085 5427TIP3 H222591 3.212 -4.136 -1.206 5428TIP3 OH222592 3.457 -2.900 -0.679 5428TIP3 H122593 3.385 -2.898 -0.744 5428TIP3 H222594 3.408 -2.899 -0.596 5429TIP3 OH222595 3.742 -2.799 -1.113 5429TIP3 H122596 3.705 -2.716 -1.148 5429TIP3 H222597 3.837 -2.785 -1.132 5430TIP3 OH222598 4.220 -2.637 -0.825 5430TIP3 H122599 4.205 -2.672 -0.736 5430TIP3 H222600 4.315 -2.614 -0.818 5431TIP3 OH222601 3.484 -2.500 -1.075 5431TIP3 H122602 3.422 -2.451 -1.132 5431TIP3 H222603 3.434 -2.503 -0.993 5432TIP3 OH222604 3.732 -2.523 -1.221 5432TIP3 H122605 3.644 -2.510 -1.180 5432TIP3 H222606 3.729 -2.458 -1.294 5433TIP3 OH222607 4.198 -2.549 -1.269 5433TIP3 H122608 4.177 -2.500 -1.351 5433TIP3 H222609 4.256 -2.488 -1.223 5434TIP3 OH222610 3.448 -2.609 -1.376 5434TIP3 H122611 3.420 -2.663 -1.300 5434TIP3 H222612 3.504 -2.670 -1.426 5435TIP3 OH222613 3.635 -2.749 -1.547 5435TIP3 H122614 3.617 -2.839 -1.513 5435TIP3 H222615 3.722 -2.729 -1.507 5436TIP3 OH222616 3.914 -2.697 -1.454 5436TIP3 H122617 3.931 -2.791 -1.476 5436TIP3 H222618 3.918 -2.699 -1.358 5437TIP3 OH222619 4.247 -4.133 -1.520 5437TIP3 H122620 4.179 -4.201 -1.500 5437TIP3 H222621 4.292 -4.173 -1.595 5438TIP3 OH222622 3.483 -4.283 -1.794 5438TIP3 H122623 3.392 -4.313 -1.798 5438TIP3 H222624 3.530 -4.357 -1.754 5439TIP3 OH222625 3.333 -4.300 -2.170 5439TIP3 H122626 3.379 -4.248 -2.237 5439TIP3 H222627 3.290 -4.230 -2.117 5440TIP3 OH222628 3.935 -4.238 -1.784 5440TIP3 H122629 4.032 -4.226 -1.778 5440TIP3 H222630 3.917 -4.292 -1.706 5441TIP3 OH222631 3.384 -2.694 -2.071 5441TIP3 H122632 3.314 -2.706 -2.136 5441TIP3 H222633 3.374 -2.601 -2.050 5442TIP3 OH222634 3.527 -4.129 -2.324 5442TIP3 H122635 3.598 -4.161 -2.383 5442TIP3 H222636 3.580 -4.074 -2.263 5443TIP3 OH222637 4.044 -4.069 -2.101 5443TIP3 H122638 4.062 -4.155 -2.059 5443TIP3 H222639 4.065 -4.006 -2.029 5444TIP3 OH222640 4.264 -2.533 -2.253 5444TIP3 H122641 4.351 -2.494 -2.272 5444TIP3 H222642 4.249 -2.590 -2.331 5445TIP3 OH222643 3.441 -4.177 -0.846 5445TIP3 H122644 3.393 -4.255 -0.814 5445TIP3 H222645 3.528 -4.218 -0.857 5446TIP3 OH222646 3.735 -4.281 -0.580 5446TIP3 H122647 3.822 -4.307 -0.618 5446TIP3 H222648 3.711 -4.361 -0.532 5447TIP3 OH222649 3.524 -2.599 -2.384 5447TIP3 H122650 3.499 -2.579 -2.293 5447TIP3 H222651 3.600 -2.658 -2.371 5448TIP3 OH222652 -3.157 -1.484 -1.749 5448TIP3 H122653 -3.158 -1.388 -1.734 5448TIP3 H222654 -3.231 -1.494 -1.812 5449TIP3 OH222655 -3.261 -1.536 -1.434 5449TIP3 H122656 -3.271 -1.592 -1.355 5449TIP3 H222657 -3.295 -1.596 -1.503 5450TIP3 OH222658 -4.027 -1.580 -1.271 5450TIP3 H122659 -4.032 -1.652 -1.206 5450TIP3 H222660 -3.960 -1.523 -1.232 5451TIP3 OH222661 -2.908 -1.260 -1.599 5451TIP3 H122662 -2.939 -1.333 -1.544 5451TIP3 H222663 -2.876 -1.198 -1.532 5452TIP3 OH222664 -3.959 -1.119 -1.414 5452TIP3 H122665 -3.987 -1.207 -1.443 5452TIP3 H222666 -3.864 -1.134 -1.403 5453TIP3 OH222667 -4.167 -1.676 -1.925 5453TIP3 H122668 -4.220 -1.606 -1.883 5453TIP3 H222669 -4.226 -1.751 -1.908 5454TIP3 OH222670 -4.212 -1.523 -1.683 5454TIP3 H122671 -4.186 -1.604 -1.635 5454TIP3 H222672 -4.131 -1.499 -1.730 5455TIP3 OH222673 -3.200 -0.726 -1.547 5455TIP3 H122674 -3.142 -0.798 -1.579 5455TIP3 H222675 -3.229 -0.760 -1.461 5456TIP3 OH222676 -3.424 -1.288 -1.376 5456TIP3 H122677 -3.392 -1.356 -1.438 5456TIP3 H222678 -3.342 -1.270 -1.328 5457TIP3 OH222679 -2.578 -2.109 -1.329 5457TIP3 H122680 -2.542 -2.067 -1.249 5457TIP3 H222681 -2.504 -2.093 -1.391 5458TIP3 OH222682 -3.092 -1.848 -1.327 5458TIP3 H122683 -3.082 -1.945 -1.321 5458TIP3 H222684 -3.093 -1.834 -1.423 5459TIP3 OH222685 -3.799 -2.052 -1.620 5459TIP3 H122686 -3.786 -1.966 -1.665 5459TIP3 H222687 -3.835 -2.105 -1.694 5460TIP3 OH222688 -3.006 -2.021 -1.787 5460TIP3 H122689 -2.951 -2.083 -1.735 5460TIP3 H222690 -2.962 -2.020 -1.875 5461TIP3 OH222691 -4.138 -1.775 -1.568 5461TIP3 H122692 -4.080 -1.819 -1.503 5461TIP3 H222693 -4.121 -1.829 -1.647 5462TIP3 OH222694 -3.590 -1.642 -1.620 5462TIP3 H122695 -3.519 -1.698 -1.584 5462TIP3 H222696 -3.642 -1.707 -1.672 5463TIP3 OH222697 -2.474 -1.988 -1.071 5463TIP3 H122698 -2.544 -1.923 -1.087 5463TIP3 H222699 -2.487 -2.011 -0.978 5464TIP3 OH222700 -3.919 -2.170 -1.202 5464TIP3 H122701 -3.963 -2.126 -1.276 5464TIP3 H222702 -3.981 -2.152 -1.129 5465TIP3 OH222703 -3.168 -1.196 -1.864 5465TIP3 H122704 -3.201 -1.219 -1.952 5465TIP3 H222705 -3.215 -1.112 -1.845 5466TIP3 OH222706 -3.624 -1.384 -1.190 5466TIP3 H122707 -3.698 -1.324 -1.164 5466TIP3 H222708 -3.564 -1.323 -1.237 5467TIP3 OH222709 -2.828 -2.097 -1.580 5467TIP3 H122710 -2.863 -2.171 -1.528 5467TIP3 H222711 -2.764 -2.060 -1.516 5468TIP3 OH222712 -3.957 -1.966 -1.411 5468TIP3 H122713 -3.893 -1.908 -1.366 5468TIP3 H222714 -3.900 -2.003 -1.482 5469TIP3 OH222715 -3.826 -1.197 -1.113 5469TIP3 H122716 -3.829 -1.108 -1.152 5469TIP3 H222717 -3.916 -1.202 -1.077 5470TIP3 OH222718 -4.186 -1.241 -2.022 5470TIP3 H122719 -4.261 -1.219 -2.081 5470TIP3 H222720 -4.188 -1.167 -1.959 5471TIP3 OH222721 -2.850 -1.078 -1.355 5471TIP3 H122722 -2.945 -1.058 -1.357 5471TIP3 H222723 -2.811 -0.992 -1.379 5472TIP3 OH222724 -2.820 -2.195 -1.199 5472TIP3 H122725 -2.898 -2.158 -1.244 5472TIP3 H222726 -2.749 -2.175 -1.262 5473TIP3 OH222727 -3.506 -2.422 -1.496 5473TIP3 H122728 -3.526 -2.517 -1.500 5473TIP3 H222729 -3.588 -2.386 -1.457 5474TIP3 OH222730 -3.018 -0.889 -1.692 5474TIP3 H122731 -2.971 -0.968 -1.726 5474TIP3 H222732 -2.951 -0.819 -1.706 5475TIP3 OH222733 -2.872 -1.105 -1.837 5475TIP3 H122734 -2.930 -1.148 -1.901 5475TIP3 H222735 -2.880 -1.165 -1.761 5476TIP3 OH222736 -3.283 -1.530 -2.017 5476TIP3 H122737 -3.350 -1.469 -2.053 5476TIP3 H222738 -3.218 -1.533 -2.090 5477TIP3 OH222739 -3.261 -1.697 -2.313 5477TIP3 H122740 -3.191 -1.687 -2.247 5477TIP3 H222741 -3.228 -1.774 -2.361 5478TIP3 OH222742 -2.559 -1.598 -1.195 5478TIP3 H122743 -2.621 -1.525 -1.179 5478TIP3 H222744 -2.504 -1.561 -1.267 5479TIP3 OH222745 -2.922 -1.547 -1.879 5479TIP3 H122746 -2.993 -1.500 -1.831 5479TIP3 H222747 -2.957 -1.636 -1.880 5480TIP3 OH222748 -2.956 -1.679 -1.026 5480TIP3 H122749 -2.954 -1.604 -0.963 5480TIP3 H222750 -3.024 -1.648 -1.089 5481TIP3 OH222751 -3.782 -1.451 -1.730 5481TIP3 H122752 -3.817 -1.491 -1.812 5481TIP3 H222753 -3.718 -1.518 -1.700 5482TIP3 OH222754 -3.650 -1.115 -1.454 5482TIP3 H122755 -3.660 -1.146 -1.545 5482TIP3 H222756 -3.568 -1.159 -1.426 5483TIP3 OH222757 -3.725 -1.572 -1.380 5483TIP3 H122758 -3.671 -1.567 -1.461 5483TIP3 H222759 -3.687 -1.503 -1.324 5484TIP3 OH222760 -3.129 -1.017 -1.324 5484TIP3 H122761 -3.134 -0.950 -1.255 5484TIP3 H222762 -3.152 -1.100 -1.278 5485TIP3 OH222763 -3.639 -1.140 -0.896 5485TIP3 H122764 -3.690 -1.067 -0.854 5485TIP3 H222765 -3.700 -1.165 -0.968 5486TIP3 OH222766 -3.044 -1.609 -2.147 5486TIP3 H122767 -2.979 -1.589 -2.078 5486TIP3 H222768 -2.997 -1.574 -2.226 5487TIP3 OH222769 -3.955 -1.505 -0.982 5487TIP3 H122770 -3.949 -1.447 -0.904 5487TIP3 H222771 -4.052 -1.508 -0.994 5488TIP3 OH222772 -3.302 -0.925 -1.804 5488TIP3 H122773 -3.258 -0.891 -1.726 5488TIP3 H222774 -3.353 -0.848 -1.836 5489TIP3 OH222775 -3.833 -0.931 -0.816 5489TIP3 H122776 -3.841 -0.917 -0.913 5489TIP3 H222777 -3.926 -0.941 -0.789 5490TIP3 OH222778 -2.704 -2.408 -2.205 5490TIP3 H122779 -2.790 -2.395 -2.161 5490TIP3 H222780 -2.673 -2.316 -2.213 5491TIP3 OH222781 -3.891 -1.579 -1.979 5491TIP3 H122782 -3.916 -1.502 -2.033 5491TIP3 H222783 -3.971 -1.633 -1.985 5492TIP3 OH222784 -2.567 -0.994 -2.364 5492TIP3 H122785 -2.552 -0.902 -2.336 5492TIP3 H222786 -2.482 -1.036 -2.339 5493TIP3 OH222787 -4.264 -1.295 -1.124 5493TIP3 H122788 -4.286 -1.327 -1.213 5493TIP3 H222789 -4.308 -1.363 -1.069 5494TIP3 OH222790 -4.284 -1.020 -1.424 5494TIP3 H122791 -4.196 -1.057 -1.408 5494TIP3 H222792 -4.298 -0.965 -1.347 5495TIP3 OH222793 -3.367 -1.041 -0.956 5495TIP3 H122794 -3.354 -0.957 -0.907 5495TIP3 H222795 -3.459 -1.063 -0.934 5496TIP3 OH222796 -3.344 -0.652 -1.955 5496TIP3 H122797 -3.351 -0.645 -2.052 5496TIP3 H222798 -3.342 -0.559 -1.927 5497TIP3 OH222799 -3.957 -0.745 -1.783 5497TIP3 H122800 -3.957 -0.791 -1.696 5497TIP3 H222801 -4.044 -0.771 -1.818 5498TIP3 OH222802 -3.017 -0.708 -2.237 5498TIP3 H122803 -2.964 -0.776 -2.282 5498TIP3 H222804 -3.025 -0.746 -2.147 5499TIP3 OH222805 -3.079 -0.769 -1.959 5499TIP3 H122806 -3.174 -0.752 -1.946 5499TIP3 H222807 -3.065 -0.839 -1.893 5500TIP3 OH222808 -2.770 -1.820 -0.798 5500TIP3 H122809 -2.813 -1.784 -0.877 5500TIP3 H222810 -2.762 -1.915 -0.822 5501TIP3 OH222811 -4.074 -1.155 -0.973 5501TIP3 H122812 -4.043 -1.219 -0.906 5501TIP3 H222813 -4.148 -1.203 -1.017 5502TIP3 OH222814 -3.749 -2.309 -1.402 5502TIP3 H122815 -3.830 -2.318 -1.455 5502TIP3 H222816 -3.774 -2.235 -1.344 5503TIP3 OH222817 -3.311 -2.350 -1.038 5503TIP3 H122818 -3.257 -2.403 -0.976 5503TIP3 H222819 -3.400 -2.387 -1.025 5504TIP3 OH222820 -3.000 -1.972 -0.992 5504TIP3 H122821 -3.053 -1.988 -0.912 5504TIP3 H222822 -3.000 -1.875 -1.000 5505TIP3 OH222823 -2.908 -1.492 -2.361 5505TIP3 H122824 -2.922 -1.505 -2.456 5505TIP3 H222825 -2.816 -1.462 -2.359 5506TIP3 OH222826 -3.310 -2.097 -2.329 5506TIP3 H122827 -3.340 -2.104 -2.238 5506TIP3 H222828 -3.357 -2.170 -2.372 5507TIP3 OH222829 -3.759 -1.829 -1.262 5507TIP3 H122830 -3.823 -1.819 -1.189 5507TIP3 H222831 -3.755 -1.738 -1.299 5508TIP3 OH222832 -3.768 -1.823 -1.774 5508TIP3 H122833 -3.864 -1.825 -1.792 5508TIP3 H222834 -3.733 -1.839 -1.864 5509TIP3 OH222835 -3.169 -1.771 -1.915 5509TIP3 H122836 -3.223 -1.694 -1.941 5509TIP3 H222837 -3.119 -1.787 -1.997 5510TIP3 OH222838 -3.288 -1.741 -0.757 5510TIP3 H122839 -3.336 -1.820 -0.725 5510TIP3 H222840 -3.198 -1.758 -0.721 5511TIP3 OH222841 -3.065 -1.801 -1.633 5511TIP3 H122842 -3.125 -1.747 -1.688 5511TIP3 H222843 -3.081 -1.889 -1.672 5512TIP3 OH222844 -4.022 -1.813 -1.079 5512TIP3 H122845 -3.998 -1.777 -0.993 5512TIP3 H222846 -4.053 -1.902 -1.054 5513TIP3 OH222847 -3.685 -2.054 -2.419 5513TIP3 H122848 -3.723 -2.091 -2.336 5513TIP3 H222849 -3.764 -2.039 -2.473 5514TIP3 OH222850 -4.324 -2.057 -1.708 5514TIP3 H122851 -4.305 -2.083 -1.616 5514TIP3 H222852 -4.277 -2.124 -1.758 5515TIP3 OH222853 -4.213 -1.999 -2.126 5515TIP3 H122854 -4.150 -1.976 -2.198 5515TIP3 H222855 -4.296 -1.977 -2.168 5516TIP3 OH222856 -3.207 -1.658 -1.169 5516TIP3 H122857 -3.166 -1.729 -1.222 5516TIP3 H222858 -3.246 -1.709 -1.096 5517TIP3 OH222859 -3.488 -2.057 -1.668 5517TIP3 H122860 -3.583 -2.066 -1.650 5517TIP3 H222861 -3.449 -2.089 -1.584 5518TIP3 OH222862 -4.040 -1.941 -1.803 5518TIP3 H122863 -4.120 -1.928 -1.855 5518TIP3 H222864 -4.002 -2.021 -1.845 5519TIP3 OH222865 -3.673 -1.909 -2.036 5519TIP3 H122866 -3.576 -1.899 -2.029 5519TIP3 H222867 -3.697 -1.845 -2.106 5520TIP3 OH222868 -3.054 -2.144 -1.369 5520TIP3 H122869 -3.118 -2.147 -1.295 5520TIP3 H222870 -3.108 -2.184 -1.440 5521TIP3 OH222871 -3.823 -1.783 -2.259 5521TIP3 H122872 -3.883 -1.812 -2.329 5521TIP3 H222873 -3.743 -1.762 -2.309 5522TIP3 OH222874 -2.726 -0.567 -0.731 5522TIP3 H122875 -2.716 -0.509 -0.808 5522TIP3 H222876 -2.656 -0.533 -0.674 5523TIP3 OH222877 -3.947 -1.318 -0.752 5523TIP3 H122878 -3.894 -1.278 -0.682 5523TIP3 H222879 -4.037 -1.306 -0.716 5524TIP3 OH222880 -3.368 -1.811 -1.492 5524TIP3 H122881 -3.321 -1.877 -1.543 5524TIP3 H222882 -3.398 -1.865 -1.415 5525TIP3 OH222883 -3.872 -2.173 -1.864 5525TIP3 H122884 -3.914 -2.260 -1.861 5525TIP3 H222885 -3.791 -2.192 -1.914 5526TIP3 OH222886 -3.487 -1.954 -1.274 5526TIP3 H122887 -3.569 -1.903 -1.264 5526TIP3 H222888 -3.440 -1.938 -1.190 5527TIP3 OH222889 -3.472 -1.330 -2.073 5527TIP3 H122890 -3.550 -1.377 -2.111 5527TIP3 H222891 -3.496 -1.324 -1.978 5528TIP3 OH222892 -2.760 -1.395 -1.189 5528TIP3 H122893 -2.705 -1.335 -1.244 5528TIP3 H222894 -2.835 -1.412 -1.249 5529TIP3 OH222895 -3.304 -1.326 -0.947 5529TIP3 H122896 -3.336 -1.359 -0.862 5529TIP3 H222897 -3.331 -1.232 -0.945 5530TIP3 OH222898 -3.969 -1.388 -1.498 5530TIP3 H122899 -3.911 -1.399 -1.576 5530TIP3 H222900 -3.962 -1.475 -1.455 5531TIP3 OH222901 -3.237 -1.187 -2.180 5531TIP3 H122902 -3.266 -1.100 -2.143 5531TIP3 H222903 -3.312 -1.243 -2.154 5532TIP3 OH222904 -4.238 -1.540 -0.937 5532TIP3 H122905 -4.232 -1.606 -0.867 5532TIP3 H222906 -4.286 -1.589 -1.007 5533TIP3 OH222907 -3.540 -1.602 -0.767 5533TIP3 H122908 -3.576 -1.632 -0.853 5533TIP3 H222909 -3.450 -1.638 -0.774 5534TIP3 OH222910 -2.523 -1.861 -2.111 5534TIP3 H122911 -2.603 -1.900 -2.151 5534TIP3 H222912 -2.533 -1.769 -2.139 5535TIP3 OH222913 -2.524 -1.249 -0.860 5535TIP3 H122914 -2.596 -1.207 -0.908 5535TIP3 H222915 -2.449 -1.223 -0.916 5536TIP3 OH222916 -2.724 -1.002 -2.116 5536TIP3 H122917 -2.737 -1.074 -2.052 5536TIP3 H222918 -2.656 -1.036 -2.175 5537TIP3 OH222919 -2.972 -1.491 -1.377 5537TIP3 H122920 -3.066 -1.501 -1.403 5537TIP3 H222921 -2.935 -1.574 -1.409 5538TIP3 OH222922 -3.728 -1.053 -1.761 5538TIP3 H122923 -3.687 -0.967 -1.780 5538TIP3 H222924 -3.818 -1.038 -1.793 5539TIP3 OH222925 -4.159 -1.561 -2.292 5539TIP3 H122926 -4.082 -1.510 -2.258 5539TIP3 H222927 -4.228 -1.495 -2.279 5540TIP3 OH222928 -3.543 -1.288 -1.802 5540TIP3 H122929 -3.572 -1.196 -1.790 5540TIP3 H222930 -3.618 -1.336 -1.764 5541TIP3 OH222931 -3.524 -0.864 -1.165 5541TIP3 H122932 -3.472 -0.789 -1.198 5541TIP3 H222933 -3.460 -0.907 -1.108 5542TIP3 OH222934 -3.681 -0.767 -1.843 5542TIP3 H122935 -3.778 -0.755 -1.835 5542TIP3 H222936 -3.649 -0.677 -1.824 5543TIP3 OH222937 -3.163 -1.287 -1.201 5543TIP3 H122938 -3.213 -1.322 -1.125 5543TIP3 H222939 -3.104 -1.360 -1.224 5544TIP3 OH222940 -2.963 -1.163 -2.319 5544TIP3 H122941 -2.928 -1.205 -2.239 5544TIP3 H222942 -3.058 -1.173 -2.301 5545TIP3 OH222943 -2.909 -0.849 -0.961 5545TIP3 H122944 -2.978 -0.864 -1.029 5545TIP3 H222945 -2.872 -0.766 -0.994 5546TIP3 OH222946 -2.495 -0.729 -2.269 5546TIP3 H122947 -2.426 -0.662 -2.289 5546TIP3 H222948 -2.571 -0.668 -2.261 5547TIP3 OH222949 -4.102 -2.082 -0.998 5547TIP3 H122950 -4.186 -2.049 -1.035 5547TIP3 H222951 -4.123 -2.170 -0.963 5548TIP3 OH222952 -2.870 -1.302 -2.080 5548TIP3 H122953 -2.894 -1.372 -2.017 5548TIP3 H222954 -2.774 -1.299 -2.070 5549TIP3 OH222955 -4.130 -0.913 -1.159 5549TIP3 H122956 -4.109 -1.007 -1.152 5549TIP3 H222957 -4.093 -0.880 -1.077 5550TIP3 OH222958 -3.519 -1.054 -2.439 5550TIP3 H122959 -3.526 -1.118 -2.513 5550TIP3 H222960 -3.586 -1.089 -2.378 5551TIP3 OH222961 -3.660 -1.100 -2.186 5551TIP3 H122962 -3.611 -1.151 -2.121 5551TIP3 H222963 -3.645 -1.008 -2.158 5552TIP3 OH222964 -3.984 -1.360 -2.153 5552TIP3 H122965 -4.055 -1.317 -2.099 5552TIP3 H222966 -3.940 -1.281 -2.188 5553TIP3 OH222967 -3.213 -2.107 -1.149 5553TIP3 H122968 -3.148 -2.080 -1.083 5553TIP3 H222969 -3.258 -2.183 -1.106 5554TIP3 OH222970 -3.164 -2.150 -2.046 5554TIP3 H122971 -3.124 -2.097 -2.119 5554TIP3 H222972 -3.102 -2.121 -1.978 5555TIP3 OH222973 -3.364 -0.935 -2.129 5555TIP3 H122974 -3.449 -0.890 -2.115 5555TIP3 H222975 -3.329 -0.887 -2.205 5556TIP3 OH222976 -3.407 -1.957 -1.929 5556TIP3 H122977 -3.320 -1.913 -1.919 5556TIP3 H222978 -3.432 -1.975 -1.836 5557TIP3 OH222979 -3.368 -1.873 -1.014 5557TIP3 H122980 -3.362 -1.823 -0.931 5557TIP3 H222981 -3.314 -1.951 -0.992 5558TIP3 OH222982 -3.343 -2.261 -1.839 5558TIP3 H122983 -3.361 -2.194 -1.772 5558TIP3 H222984 -3.273 -2.218 -1.891 5559TIP3 OH222985 -3.639 -0.829 -2.132 5559TIP3 H122986 -3.655 -0.749 -2.186 5559TIP3 H222987 -3.665 -0.797 -2.043 5560TIP3 OH222988 -3.774 -2.162 -2.176 5560TIP3 H122989 -3.766 -2.081 -2.124 5560TIP3 H222990 -3.691 -2.208 -2.151 5561TIP3 OH222991 -2.741 -2.070 -0.926 5561TIP3 H122992 -2.837 -2.063 -0.942 5561TIP3 H222993 -2.714 -2.094 -1.016 5562TIP3 OH222994 -3.934 -1.077 -2.274 5562TIP3 H122995 -3.859 -1.033 -2.234 5562TIP3 H222996 -3.889 -1.124 -2.347 5563TIP3 OH222997 -4.119 -1.862 -2.352 5563TIP3 H122998 -4.104 -1.767 -2.342 5563TIP3 H222999 -4.191 -1.866 -2.416 5564TIP3 OH223000 -2.751 -0.802 -1.362 5564TIP3 H123001 -2.782 -0.728 -1.418 5564TIP3 H223002 -2.662 -0.773 -1.339 5565TIP3 OH223003 -4.025 -2.363 -1.489 5565TIP3 H123004 -4.058 -2.363 -1.581 5565TIP3 H223005 -4.070 -2.441 -1.451 5566TIP3 OH223006 -4.141 -0.983 -1.886 5566TIP3 H123007 -4.227 -0.939 -1.871 5566TIP3 H223008 -4.100 -0.927 -1.952 5567TIP3 OH223009 -4.213 -0.720 -0.737 5567TIP3 H123010 -4.151 -0.721 -0.663 5567TIP3 H223011 -4.219 -0.815 -0.753 5568TIP3 OH223012 -3.736 -0.810 -0.566 5568TIP3 H123013 -3.661 -0.866 -0.541 5568TIP3 H223014 -3.749 -0.835 -0.659 5569TIP3 OH223015 -3.310 -0.882 -2.418 5569TIP3 H123016 -3.393 -0.936 -2.418 5569TIP3 H223017 -3.249 -0.951 -2.446 5570TIP3 OH223018 -2.866 -0.894 -2.410 5570TIP3 H123019 -2.852 -0.971 -2.352 5570TIP3 H223020 -2.779 -0.884 -2.451 5571TIP3 OH223021 -4.197 -1.315 -0.678 5571TIP3 H123022 -4.191 -1.405 -0.712 5571TIP3 H223023 -4.285 -1.287 -0.709 5572TIP3 OH223024 -3.784 -1.308 -2.414 5572TIP3 H123025 -3.753 -1.375 -2.351 5572TIP3 H223026 -3.710 -1.299 -2.475 5573TIP3 OH223027 -3.545 -1.331 -0.691 5573TIP3 H123028 -3.562 -1.291 -0.778 5573TIP3 H223029 -3.528 -1.425 -0.713 5574TIP3 OH223030 -3.237 -1.173 -2.474 5574TIP3 H123031 -3.265 -1.172 -2.381 5574TIP3 H223032 -3.257 -1.267 -2.494 5575TIP3 OH223033 -2.972 -1.304 -0.932 5575TIP3 H123034 -2.911 -1.296 -1.007 5575TIP3 H223035 -3.056 -1.273 -0.968 5576TIP3 OH223036 -4.132 -1.640 -0.698 5576TIP3 H123037 -4.055 -1.699 -0.709 5576TIP3 H223038 -4.128 -1.620 -0.604 5577TIP3 OH223039 -3.669 -1.503 -2.191 5577TIP3 H123040 -3.735 -1.550 -2.138 5577TIP3 H223041 -3.643 -1.571 -2.256 5578TIP3 OH223042 -3.750 -1.721 -0.966 5578TIP3 H123043 -3.806 -1.642 -0.955 5578TIP3 H223044 -3.686 -1.689 -1.033 5579TIP3 OH223045 -3.576 -1.699 -2.371 5579TIP3 H123046 -3.579 -1.687 -2.468 5579TIP3 H223047 -3.480 -1.696 -2.355 5580TIP3 OH223048 -3.219 -1.450 -0.612 5580TIP3 H123049 -3.130 -1.467 -0.646 5580TIP3 H223050 -3.243 -1.538 -0.580 5581TIP3 OH223051 -2.636 -1.446 -2.435 5581TIP3 H123052 -2.637 -1.492 -2.521 5581TIP3 H223053 -2.631 -1.353 -2.462 5582TIP3 OH223054 -3.693 -1.994 -0.855 5582TIP3 H123055 -3.683 -2.060 -0.927 5582TIP3 H223056 -3.710 -1.913 -0.906 5583TIP3 OH223057 -3.657 -2.144 -1.111 5583TIP3 H123058 -3.605 -2.095 -1.178 5583TIP3 H223059 -3.747 -2.143 -1.148 5584TIP3 OH223060 -3.501 -1.601 -1.069 5584TIP3 H123061 -3.418 -1.610 -1.119 5584TIP3 H223062 -3.533 -1.515 -1.102 5585TIP3 OH223063 -3.042 -1.807 -0.592 5585TIP3 H123064 -3.022 -1.901 -0.580 5585TIP3 H223065 -2.951 -1.771 -0.593 5586TIP3 OH223066 -2.955 -1.524 -0.758 5586TIP3 H123067 -2.968 -1.446 -0.816 5586TIP3 H223068 -2.861 -1.545 -0.777 5587TIP3 OH223069 -3.876 -1.804 -0.677 5587TIP3 H123070 -3.929 -1.886 -0.678 5587TIP3 H223071 -3.797 -1.832 -0.725 5588TIP3 OH223072 -3.587 -2.413 -1.075 5588TIP3 H123073 -3.602 -2.318 -1.092 5588TIP3 H223074 -3.656 -2.455 -1.130 5589TIP3 OH223075 -3.460 -1.952 -0.695 5589TIP3 H123076 -3.490 -1.982 -0.608 5589TIP3 H223077 -3.539 -1.974 -0.749 5590TIP3 OH223078 -3.204 -2.050 -0.809 5590TIP3 H123079 -3.292 -2.051 -0.767 5590TIP3 H223080 -3.155 -2.114 -0.753 5591TIP3 OH223081 -3.029 -2.202 -0.641 5591TIP3 H123082 -3.034 -2.298 -0.624 5591TIP3 H223083 -3.037 -2.163 -0.552 5592TIP3 OH223084 -4.012 -2.059 -0.694 5592TIP3 H123085 -4.015 -2.131 -0.759 5592TIP3 H223086 -4.032 -2.106 -0.611 5593TIP3 OH223087 -3.600 -2.465 -0.794 5593TIP3 H123088 -3.541 -2.542 -0.789 5593TIP3 H223089 -3.602 -2.450 -0.891 5594TIP3 OH223090 -3.506 -2.277 -0.610 5594TIP3 H123091 -3.533 -2.338 -0.682 5594TIP3 H223092 -3.579 -2.214 -0.608 5595TIP3 OH223093 -3.599 -0.568 -2.257 5595TIP3 H123094 -3.503 -0.563 -2.250 5595TIP3 H223095 -3.612 -0.538 -2.348 5596TIP3 OH223096 -4.208 -1.087 -2.351 5596TIP3 H123097 -4.121 -1.082 -2.308 5596TIP3 H223098 -4.204 -1.173 -2.396 5597TIP3 OH223099 -4.274 -0.810 -1.641 5597TIP3 H123100 -4.279 -0.898 -1.599 5597TIP3 H223101 -4.243 -0.756 -1.567 5598TIP3 OH223102 -2.723 -1.156 -0.601 5598TIP3 H123103 -2.774 -1.185 -0.523 5598TIP3 H223104 -2.644 -1.115 -0.562 5599TIP3 OH223105 -2.583 -1.318 -2.039 5599TIP3 H123106 -2.495 -1.282 -2.018 5599TIP3 H223107 -2.598 -1.378 -1.963 5600TIP3 OH223108 -2.569 -1.540 -1.821 5600TIP3 H123109 -2.588 -1.618 -1.768 5600TIP3 H223110 -2.488 -1.508 -1.777 5601TIP3 OH223111 -2.567 -1.263 -1.349 5601TIP3 H123112 -2.499 -1.314 -1.395 5601TIP3 H223113 -2.547 -1.172 -1.377 5602TIP3 OH223114 -2.711 -1.028 -1.081 5602TIP3 H123115 -2.741 -0.937 -1.071 5602TIP3 H223116 -2.726 -1.044 -1.175 5603TIP3 OH223117 -2.507 -1.561 -2.185 5603TIP3 H123118 -2.567 -1.552 -2.261 5603TIP3 H223119 -2.530 -1.481 -2.134 5604TIP3 OH223120 -2.670 -1.797 -2.377 5604TIP3 H123121 -2.650 -1.755 -2.461 5604TIP3 H223122 -2.707 -1.883 -2.403 5605TIP3 OH223123 -4.256 -1.448 -1.368 5605TIP3 H123124 -4.226 -1.429 -1.459 5605TIP3 H223125 -4.175 -1.491 -1.331 5606TIP3 OH223126 -2.675 -1.487 -0.840 5606TIP3 H123127 -2.612 -1.562 -0.837 5606TIP3 H223128 -2.614 -1.412 -0.856 5607TIP3 OH223129 -2.531 -1.704 -0.739 5607TIP3 H123130 -2.607 -1.763 -0.757 5607TIP3 H223131 -2.456 -1.766 -0.733 5608TIP3 OH223132 -2.731 -2.099 -2.476 5608TIP3 H123133 -2.685 -2.119 -2.393 5608TIP3 H223134 -2.824 -2.118 -2.454 5609TIP3 OH223135 -2.740 -1.852 -1.443 5609TIP3 H123136 -2.644 -1.857 -1.421 5609TIP3 H223137 -2.776 -1.864 -1.354 5610TIP3 OH223138 -2.717 -1.824 -1.122 5610TIP3 H123139 -2.803 -1.784 -1.098 5610TIP3 H223140 -2.664 -1.746 -1.148 5611TIP3 OH223141 -4.284 -1.954 -0.752 5611TIP3 H123142 -4.196 -1.994 -0.762 5611TIP3 H223143 -4.343 -2.029 -0.742 5612TIP3 OH223144 -2.460 -2.406 -0.590 5612TIP3 H123145 -2.421 -2.471 -0.651 5612TIP3 H223146 -2.461 -2.326 -0.646 5613TIP3 OH223147 -2.697 -2.207 -1.928 5613TIP3 H123148 -2.709 -2.253 -1.843 5613TIP3 H223149 -2.781 -2.223 -1.974 5614TIP3 OH223150 -4.195 -2.102 -1.439 5614TIP3 H123151 -4.159 -2.191 -1.446 5614TIP3 H223152 -4.115 -2.047 -1.426 5615TIP3 OH223153 -4.332 -1.837 -1.358 5615TIP3 H123154 -4.295 -1.889 -1.431 5615TIP3 H223155 -4.317 -1.747 -1.389 5616TIP3 OH223156 -2.523 -2.197 -0.765 5616TIP3 H123157 -2.611 -2.155 -0.760 5616TIP3 H223158 -2.534 -2.250 -0.847 5617TIP3 OH223159 -2.517 -2.177 -2.289 5617TIP3 H123160 -2.485 -2.261 -2.327 5617TIP3 H223161 -2.434 -2.129 -2.273 5618TIP3 OH223162 -4.314 -2.227 -2.009 5618TIP3 H123163 -4.399 -2.198 -2.046 5618TIP3 H223164 -4.256 -2.154 -2.040 5619TIP3 OH223165 -2.828 -0.692 -1.751 5619TIP3 H123166 -2.784 -0.711 -1.835 5619TIP3 H223167 -2.765 -0.632 -1.709 5620TIP3 OH223168 -4.291 -2.330 -1.171 5620TIP3 H123169 -4.360 -2.339 -1.101 5620TIP3 H223170 -4.335 -2.282 -1.243 5621TIP3 OH223171 -4.116 -0.984 -0.692 5621TIP3 H123172 -4.168 -1.039 -0.752 5621TIP3 H223173 -4.145 -1.015 -0.604 5622TIP3 OH223174 -3.802 -0.908 -1.109 5622TIP3 H123175 -3.833 -0.826 -1.151 5622TIP3 H223176 -3.706 -0.902 -1.129 5623TIP3 OH223177 -3.351 -0.784 -0.816 5623TIP3 H123178 -3.336 -0.799 -0.720 5623TIP3 H223179 -3.272 -0.731 -0.840 5624TIP3 OH223180 -3.127 -0.637 -0.886 5624TIP3 H123181 -3.054 -0.694 -0.915 5624TIP3 H223182 -3.091 -0.600 -0.803 5625TIP3 OH223183 -2.642 -2.377 -0.967 5625TIP3 H123184 -2.721 -2.361 -1.021 5625TIP3 H223185 -2.616 -2.466 -1.000 5626TIP3 OH223186 -4.069 -0.607 -1.087 5626TIP3 H123187 -4.137 -0.558 -1.138 5626TIP3 H223188 -4.102 -0.596 -0.997 5627TIP3 OH223189 -3.817 -0.639 -1.223 5627TIP3 H123190 -3.904 -0.620 -1.183 5627TIP3 H223191 -3.815 -0.575 -1.296 5628TIP3 OH223192 -3.338 -0.642 -1.269 5628TIP3 H123193 -3.378 -0.599 -1.347 5628TIP3 H223194 -3.332 -0.566 -1.207 5629TIP3 OH223195 -3.099 -0.765 -1.176 5629TIP3 H123196 -3.183 -0.729 -1.210 5629TIP3 H223197 -3.042 -0.686 -1.177 5630TIP3 OH223198 -2.857 -0.598 -1.142 5630TIP3 H123199 -2.838 -0.502 -1.146 5630TIP3 H223200 -2.814 -0.629 -1.223 5631TIP3 OH223201 -4.126 -0.731 -1.389 5631TIP3 H123202 -4.133 -0.778 -1.303 5631TIP3 H223203 -4.051 -0.779 -1.430 5632TIP3 OH223204 -3.913 -0.859 -1.527 5632TIP3 H123205 -3.925 -0.954 -1.506 5632TIP3 H223206 -3.819 -0.844 -1.505 5633TIP3 OH223207 -3.627 -0.814 -1.454 5633TIP3 H123208 -3.611 -0.907 -1.478 5633TIP3 H223209 -3.626 -0.820 -1.357 5634TIP3 OH223210 -3.299 -2.226 -1.527 5634TIP3 H123211 -3.366 -2.295 -1.510 5634TIP3 H223212 -3.236 -2.273 -1.583 5635TIP3 OH223213 -2.804 -2.414 -1.473 5635TIP3 H123214 -2.723 -2.383 -1.517 5635TIP3 H223215 -2.873 -2.397 -1.538 5636TIP3 OH223216 -2.591 -2.315 -1.679 5636TIP3 H123217 -2.525 -2.358 -1.737 5636TIP3 H223218 -2.560 -2.223 -1.680 5637TIP3 OH223219 -4.108 -2.369 -1.768 5637TIP3 H123220 -4.180 -2.397 -1.826 5637TIP3 H223221 -4.045 -2.443 -1.781 5638TIP3 OH223222 -4.182 -2.409 -2.189 5638TIP3 H123223 -4.130 -2.342 -2.238 5638TIP3 H223224 -4.233 -2.352 -2.128 5639TIP3 OH223225 -3.615 -2.373 -1.778 5639TIP3 H123226 -3.525 -2.343 -1.797 5639TIP3 H223227 -3.613 -2.383 -1.682 5640TIP3 OH223228 -3.058 -2.365 -1.643 5640TIP3 H123229 -3.027 -2.385 -1.732 5640TIP3 H223230 -3.091 -2.453 -1.615 5641TIP3 OH223231 -2.948 -2.362 -2.028 5641TIP3 H123232 -3.023 -2.313 -2.065 5641TIP3 H223233 -2.982 -2.453 -2.026 5642TIP3 OH223234 -4.006 -2.220 -2.334 5642TIP3 H123235 -3.947 -2.278 -2.386 5642TIP3 H223236 -3.944 -2.190 -2.265 5643TIP3 OH223237 -3.507 -2.207 -2.074 5643TIP3 H123238 -3.463 -2.263 -2.008 5643TIP3 H223239 -3.477 -2.119 -2.046 5644TIP3 OH223240 -3.294 -0.628 -2.253 5644TIP3 H123241 -3.197 -0.627 -2.255 5644TIP3 H223242 -3.312 -0.694 -2.322 5645TIP3 OH223243 -2.642 -0.720 -1.990 5645TIP3 H123244 -2.665 -0.803 -2.037 5645TIP3 H223245 -2.646 -0.655 -2.063 5646TIP3 OH223246 -4.079 -2.330 -0.817 5646TIP3 H123247 -4.124 -2.406 -0.777 5646TIP3 H223248 -3.987 -2.345 -0.788 5647TIP3 OH223249 -3.843 -2.392 -0.641 5647TIP3 H123250 -3.761 -2.428 -0.682 5647TIP3 H223251 -3.877 -2.471 -0.596 5648TIP3 OH223252 -4.011 -0.708 -2.402 5648TIP3 H123253 -4.045 -0.692 -2.311 5648TIP3 H223254 -3.946 -0.777 -2.384 5649TIP3 OH223255 -3.030 -2.482 -0.623 5649TIP3 H123256 -3.026 -2.525 -0.536 5649TIP3 H223257 -2.937 -2.487 -0.651 5650TIP3 OH223258 -2.680 -0.861 -0.756 5650TIP3 H123259 -2.715 -0.858 -0.845 5650TIP3 H223260 -2.657 -0.768 -0.742 5651TIP3 OH223261 -1.257 -1.477 -1.755 5651TIP3 H123262 -1.275 -1.388 -1.722 5651TIP3 H223263 -1.346 -1.503 -1.784 5652TIP3 OH223264 -2.138 -1.588 -1.269 5652TIP3 H123265 -2.140 -1.659 -1.203 5652TIP3 H223266 -2.070 -1.530 -1.232 5653TIP3 OH223267 -2.049 -1.118 -1.411 5653TIP3 H123268 -2.083 -1.207 -1.431 5653TIP3 H223269 -1.962 -1.140 -1.375 5654TIP3 OH223270 -2.389 -1.780 -1.873 5654TIP3 H123271 -2.412 -1.688 -1.885 5654TIP3 H223272 -2.445 -1.825 -1.939 5655TIP3 OH223273 -2.311 -1.530 -1.707 5655TIP3 H123274 -2.293 -1.607 -1.650 5655TIP3 H223275 -2.223 -1.508 -1.738 5656TIP3 OH223276 -1.190 -1.849 -1.327 5656TIP3 H123277 -1.196 -1.946 -1.326 5656TIP3 H223278 -1.210 -1.826 -1.419 5657TIP3 OH223279 -1.911 -2.052 -1.619 5657TIP3 H123280 -1.900 -1.966 -1.664 5657TIP3 H223281 -1.948 -2.104 -1.692 5658TIP3 OH223282 -1.101 -2.066 -1.795 5658TIP3 H123283 -1.065 -2.059 -1.705 5658TIP3 H223284 -1.079 -1.980 -1.832 5659TIP3 OH223285 -2.246 -1.779 -1.566 5659TIP3 H123286 -2.181 -1.824 -1.509 5659TIP3 H223287 -2.234 -1.828 -1.650 5660TIP3 OH223288 -1.712 -1.641 -1.610 5660TIP3 H123289 -1.636 -1.690 -1.571 5660TIP3 H223290 -1.758 -1.712 -1.659 5661TIP3 OH223291 -2.047 -2.164 -1.181 5661TIP3 H123292 -2.082 -2.114 -1.256 5661TIP3 H223293 -2.115 -2.150 -1.115 5662TIP3 OH223294 -1.275 -1.187 -1.863 5662TIP3 H123295 -1.318 -1.221 -1.942 5662TIP3 H223296 -1.331 -1.110 -1.842 5663TIP3 OH223297 -0.929 -2.129 -1.567 5663TIP3 H123298 -0.986 -2.153 -1.492 5663TIP3 H223299 -0.882 -2.054 -1.527 5664TIP3 OH223300 -2.073 -1.968 -1.407 5664TIP3 H123301 -2.009 -1.910 -1.360 5664TIP3 H223302 -2.014 -2.006 -1.476 5665TIP3 OH223303 -2.313 -1.221 -2.025 5665TIP3 H123304 -2.329 -1.173 -2.108 5665TIP3 H223305 -2.290 -1.149 -1.962 5666TIP3 OH223306 -1.622 -2.419 -1.495 5666TIP3 H123307 -1.643 -2.514 -1.496 5666TIP3 H223308 -1.703 -2.382 -1.454 5667TIP3 OH223309 -1.161 -0.881 -1.710 5667TIP3 H123310 -1.094 -0.951 -1.713 5667TIP3 H223311 -1.106 -0.805 -1.685 5668TIP3 OH223312 -0.978 -1.111 -1.824 5668TIP3 H123313 -1.042 -1.140 -1.892 5668TIP3 H223314 -1.014 -1.150 -1.745 5669TIP3 OH223315 -1.412 -1.535 -2.016 5669TIP3 H123316 -1.477 -1.470 -2.048 5669TIP3 H223317 -1.341 -1.525 -2.082 5670TIP3 OH223318 -1.380 -1.711 -2.309 5670TIP3 H123319 -1.311 -1.679 -2.249 5670TIP3 H223320 -1.328 -1.767 -2.369 5671TIP3 OH223321 -1.044 -1.549 -1.909 5671TIP3 H123322 -1.119 -1.514 -1.854 5671TIP3 H223323 -1.014 -1.621 -1.853 5672TIP3 OH223324 -1.900 -1.454 -1.731 5672TIP3 H123325 -1.928 -1.500 -1.812 5672TIP3 H223326 -1.835 -1.516 -1.693 5673TIP3 OH223327 -1.834 -1.535 -1.370 5673TIP3 H123328 -1.778 -1.554 -1.446 5673TIP3 H223329 -1.770 -1.505 -1.304 5674TIP3 OH223330 -1.159 -1.590 -2.160 5674TIP3 H123331 -1.110 -1.563 -2.080 5674TIP3 H223332 -1.112 -1.537 -2.229 5675TIP3 OH223333 -2.057 -1.498 -0.989 5675TIP3 H123334 -2.053 -1.444 -0.907 5675TIP3 H223335 -2.153 -1.507 -0.997 5676TIP3 OH223336 -1.433 -0.926 -1.792 5676TIP3 H123337 -1.356 -0.897 -1.740 5676TIP3 H223338 -1.469 -0.842 -1.826 5677TIP3 OH223339 -0.831 -2.405 -2.186 5677TIP3 H123340 -0.925 -2.388 -2.170 5677TIP3 H223341 -0.794 -2.318 -2.207 5678TIP3 OH223342 -2.005 -1.579 -1.978 5678TIP3 H123343 -2.027 -1.502 -2.033 5678TIP3 H223344 -2.071 -1.643 -2.005 5679TIP3 OH223345 -0.677 -0.997 -2.350 5679TIP3 H123346 -0.663 -0.903 -2.329 5679TIP3 H223347 -0.588 -1.034 -2.335 5680TIP3 OH223348 -2.375 -1.295 -1.112 5680TIP3 H123349 -2.436 -1.306 -1.186 5680TIP3 H223350 -2.366 -1.384 -1.075 5681TIP3 OH223351 -2.393 -1.016 -1.405 5681TIP3 H123352 -2.301 -1.047 -1.396 5681TIP3 H223353 -2.398 -0.952 -1.333 5682TIP3 OH223354 -1.460 -0.622 -1.947 5682TIP3 H123355 -1.463 -0.635 -2.043 5682TIP3 H223356 -1.439 -0.529 -1.940 5683TIP3 OH223357 -2.075 -0.731 -1.796 5683TIP3 H123358 -2.074 -0.758 -1.703 5683TIP3 H223359 -2.168 -0.741 -1.820 5684TIP3 OH223360 -1.138 -0.711 -2.243 5684TIP3 H123361 -1.076 -0.775 -2.282 5684TIP3 H223362 -1.141 -0.742 -2.149 5685TIP3 OH223363 -1.196 -0.769 -1.966 5685TIP3 H123364 -1.285 -0.742 -1.940 5685TIP3 H223365 -1.171 -0.826 -1.890 5686TIP3 OH223366 -1.865 -2.299 -1.396 5686TIP3 H123367 -1.948 -2.309 -1.446 5686TIP3 H223368 -1.890 -2.228 -1.335 5687TIP3 OH223369 -1.416 -2.366 -1.042 5687TIP3 H123370 -1.366 -2.408 -0.969 5687TIP3 H223371 -1.509 -2.383 -1.015 5688TIP3 OH223372 -1.007 -1.480 -2.359 5688TIP3 H123373 -1.029 -1.494 -2.453 5688TIP3 H223374 -0.914 -1.452 -2.366 5689TIP3 OH223375 -1.443 -2.101 -2.308 5689TIP3 H123376 -1.497 -2.115 -2.229 5689TIP3 H223377 -1.483 -2.166 -2.368 5690TIP3 OH223378 -1.879 -1.826 -1.262 5690TIP3 H123379 -1.929 -1.822 -1.178 5690TIP3 H223380 -1.872 -1.731 -1.286 5691TIP3 OH223381 -1.881 -1.822 -1.774 5691TIP3 H123382 -1.977 -1.831 -1.789 5691TIP3 H223383 -1.847 -1.842 -1.864 5692TIP3 OH223384 -1.322 -1.768 -1.896 5692TIP3 H123385 -1.366 -1.686 -1.927 5692TIP3 H223386 -1.253 -1.779 -1.963 5693TIP3 OH223387 -1.220 -1.806 -1.612 5693TIP3 H123388 -1.249 -1.742 -1.679 5693TIP3 H223389 -1.217 -1.887 -1.663 5694TIP3 OH223390 -2.143 -1.831 -1.076 5694TIP3 H123391 -2.115 -1.797 -0.990 5694TIP3 H223392 -2.204 -1.902 -1.051 5695TIP3 OH223393 -1.800 -2.053 -2.422 5695TIP3 H123394 -1.836 -2.088 -2.338 5695TIP3 H223395 -1.881 -2.042 -2.475 5696TIP3 OH223396 -2.459 -2.061 -1.710 5696TIP3 H123397 -2.395 -2.070 -1.637 5696TIP3 H223398 -2.414 -2.101 -1.785 5697TIP3 OH223399 -2.299 -2.022 -2.142 5697TIP3 H123400 -2.246 -1.972 -2.208 5697TIP3 H223401 -2.373 -1.960 -2.126 5698TIP3 OH223402 -1.346 -1.669 -1.140 5698TIP3 H123403 -1.274 -1.695 -1.200 5698TIP3 H223404 -1.351 -1.745 -1.080 5699TIP3 OH223405 -1.602 -2.065 -1.668 5699TIP3 H123406 -1.698 -2.064 -1.649 5699TIP3 H223407 -1.566 -2.078 -1.579 5700TIP3 OH223408 -2.146 -1.937 -1.806 5700TIP3 H123409 -2.232 -1.917 -1.847 5700TIP3 H223410 -2.119 -2.019 -1.852 5701TIP3 OH223411 -1.782 -1.908 -2.037 5701TIP3 H123412 -1.686 -1.892 -2.034 5701TIP3 H223413 -1.813 -1.848 -2.108 5702TIP3 OH223414 -1.161 -2.167 -1.366 5702TIP3 H123415 -1.206 -2.150 -1.280 5702TIP3 H223416 -1.239 -2.189 -1.421 5703TIP3 OH223417 -1.939 -1.782 -2.257 5703TIP3 H123418 -2.000 -1.812 -2.327 5703TIP3 H223419 -1.859 -1.763 -2.308 5704TIP3 OH223420 -2.066 -1.347 -0.750 5704TIP3 H123421 -2.003 -1.329 -0.677 5704TIP3 H223422 -2.147 -1.313 -0.710 5705TIP3 OH223423 -1.506 -1.804 -1.491 5705TIP3 H123424 -1.429 -1.846 -1.531 5705TIP3 H223425 -1.509 -1.847 -1.403 5706TIP3 OH223426 -1.974 -2.167 -1.874 5706TIP3 H123427 -2.033 -2.244 -1.857 5706TIP3 H223428 -1.894 -2.210 -1.907 5707TIP3 OH223429 -1.592 -1.952 -1.256 5707TIP3 H123430 -1.673 -1.898 -1.251 5707TIP3 H223431 -1.545 -1.931 -1.175 5708TIP3 OH223432 -1.590 -1.326 -2.076 5708TIP3 H123433 -1.667 -1.375 -2.111 5708TIP3 H223434 -1.613 -1.316 -1.980 5709TIP3 OH223435 -1.176 -2.036 -2.297 5709TIP3 H123436 -1.274 -2.041 -2.299 5709TIP3 H223437 -1.158 -1.967 -2.231 5710TIP3 OH223438 -1.096 -1.859 -2.082 5710TIP3 H123439 -1.004 -1.867 -2.051 5710TIP3 H223440 -1.096 -1.772 -2.127 5711TIP3 OH223441 -2.088 -1.394 -1.499 5711TIP3 H123442 -2.022 -1.397 -1.570 5711TIP3 H223443 -2.066 -1.473 -1.448 5712TIP3 OH223444 -1.353 -1.187 -2.184 5712TIP3 H123445 -1.375 -1.102 -2.142 5712TIP3 H223446 -1.428 -1.242 -2.154 5713TIP3 OH223447 -2.353 -1.560 -0.965 5713TIP3 H123448 -2.334 -1.601 -0.878 5713TIP3 H223449 -2.415 -1.623 -1.005 5714TIP3 OH223450 -0.650 -1.858 -2.102 5714TIP3 H123451 -0.698 -1.867 -2.186 5714TIP3 H223452 -0.626 -1.764 -2.107 5715TIP3 OH223453 -0.824 -0.979 -2.089 5715TIP3 H123454 -0.851 -1.059 -2.040 5715TIP3 H223455 -0.778 -1.015 -2.166 5716TIP3 OH223456 -1.836 -1.055 -1.762 5716TIP3 H123457 -1.795 -0.968 -1.767 5716TIP3 H223458 -1.929 -1.034 -1.776 5717TIP3 OH223459 -2.245 -1.569 -2.313 5717TIP3 H123460 -2.187 -1.505 -2.269 5717TIP3 H223461 -2.331 -1.550 -2.270 5718TIP3 OH223462 -1.659 -1.285 -1.812 5718TIP3 H123463 -1.686 -1.195 -1.786 5718TIP3 H223464 -1.724 -1.336 -1.761 5719TIP3 OH223465 -1.806 -0.749 -1.849 5719TIP3 H123466 -1.903 -0.739 -1.835 5719TIP3 H223467 -1.771 -0.673 -1.801 5720TIP3 OH223468 -1.080 -1.158 -2.318 5720TIP3 H123469 -1.040 -1.203 -2.241 5720TIP3 H223470 -1.174 -1.170 -2.295 5721TIP3 OH223471 -0.604 -0.728 -2.266 5721TIP3 H123472 -0.549 -0.660 -2.307 5721TIP3 H223473 -0.684 -0.676 -2.250 5722TIP3 OH223474 -0.978 -1.291 -2.078 5722TIP3 H123475 -1.010 -1.365 -2.024 5722TIP3 H223476 -0.882 -1.295 -2.061 5723TIP3 OH223477 -1.659 -1.051 -2.464 5723TIP3 H123478 -1.630 -1.131 -2.511 5723TIP3 H223479 -1.701 -1.090 -2.385 5724TIP3 OH223480 -1.773 -1.098 -2.193 5724TIP3 H123481 -1.726 -1.151 -2.127 5724TIP3 H223482 -1.760 -1.007 -2.158 5725TIP3 OH223483 -2.095 -1.354 -2.154 5725TIP3 H123484 -2.164 -1.315 -2.097 5725TIP3 H223485 -2.045 -1.275 -2.179 5726TIP3 OH223486 -1.304 -2.086 -1.126 5726TIP3 H123487 -1.260 -2.068 -1.042 5726TIP3 H223488 -1.372 -2.151 -1.098 5727TIP3 OH223489 -1.240 -2.183 -2.019 5727TIP3 H123490 -1.241 -2.133 -2.102 5727TIP3 H223491 -1.204 -2.119 -1.955 5728TIP3 OH223492 -1.480 -0.931 -2.124 5728TIP3 H123493 -1.565 -0.886 -2.112 5728TIP3 H223494 -1.444 -0.886 -2.201 5729TIP3 OH223495 -1.508 -1.975 -1.926 5729TIP3 H123496 -1.442 -1.903 -1.914 5729TIP3 H223497 -1.547 -1.982 -1.837 5730TIP3 OH223498 -1.447 -2.264 -1.823 5730TIP3 H123499 -1.481 -2.189 -1.771 5730TIP3 H223500 -1.387 -2.220 -1.886 5731TIP3 OH223501 -1.757 -0.827 -2.125 5731TIP3 H123502 -1.768 -0.746 -2.178 5731TIP3 H223503 -1.779 -0.795 -2.035 5732TIP3 OH223504 -1.887 -2.161 -2.185 5732TIP3 H123505 -1.888 -2.089 -2.120 5732TIP3 H223506 -1.808 -2.212 -2.157 5733TIP3 OH223507 -2.049 -1.074 -2.277 5733TIP3 H123508 -1.977 -1.024 -2.235 5733TIP3 H223509 -1.997 -1.125 -2.342 5734TIP3 OH223510 -2.232 -1.855 -2.366 5734TIP3 H123511 -2.223 -1.760 -2.343 5734TIP3 H223512 -2.322 -1.859 -2.401 5735TIP3 OH223513 -2.139 -2.352 -1.485 5735TIP3 H123514 -2.160 -2.357 -1.580 5735TIP3 H223515 -2.172 -2.438 -1.451 5736TIP3 OH223516 -2.247 -1.001 -1.862 5736TIP3 H123517 -2.317 -0.946 -1.826 5736TIP3 H223518 -2.203 -0.940 -1.923 5737TIP3 OH223519 -1.438 -0.881 -2.412 5737TIP3 H123520 -1.513 -0.942 -2.422 5737TIP3 H223521 -1.366 -0.935 -2.449 5738TIP3 OH223522 -0.974 -0.893 -2.404 5738TIP3 H123523 -0.959 -0.975 -2.354 5738TIP3 H223524 -0.893 -0.886 -2.458 5739TIP3 OH223525 -2.345 -1.317 -0.613 5739TIP3 H123526 -2.322 -1.406 -0.643 5739TIP3 H223527 -2.397 -1.281 -0.685 5740TIP3 OH223528 -1.895 -1.308 -2.430 5740TIP3 H123529 -1.879 -1.367 -2.354 5740TIP3 H223530 -1.808 -1.311 -2.474 5741TIP3 OH223531 -1.370 -1.174 -2.468 5741TIP3 H123532 -1.375 -1.178 -2.371 5741TIP3 H223533 -1.376 -1.270 -2.489 5742TIP3 OH223534 -2.233 -1.651 -0.710 5742TIP3 H123535 -2.187 -1.735 -0.697 5742TIP3 H223536 -2.231 -1.617 -0.618 5743TIP3 OH223537 -1.787 -1.498 -2.197 5743TIP3 H123538 -1.847 -1.549 -2.139 5743TIP3 H223539 -1.757 -1.568 -2.259 5744TIP3 OH223540 -1.865 -1.707 -0.970 5744TIP3 H123541 -1.916 -1.626 -0.956 5744TIP3 H223542 -1.789 -1.675 -1.021 5745TIP3 OH223543 -1.690 -1.698 -2.369 5745TIP3 H123544 -1.695 -1.691 -2.466 5745TIP3 H223545 -1.594 -1.701 -2.355 5746TIP3 OH223546 -0.739 -1.445 -2.439 5746TIP3 H123547 -0.749 -1.488 -2.525 5746TIP3 H223548 -0.751 -1.350 -2.464 5747TIP3 OH223549 -1.772 -2.146 -1.086 5747TIP3 H123550 -1.727 -2.085 -1.146 5747TIP3 H223551 -1.866 -2.136 -1.110 5748TIP3 OH223552 -1.617 -1.573 -1.134 5748TIP3 H123553 -1.524 -1.601 -1.141 5748TIP3 H223554 -1.606 -1.485 -1.098 5749TIP3 OH223555 -1.695 -2.407 -1.040 5749TIP3 H123556 -1.722 -2.313 -1.048 5749TIP3 H223557 -1.764 -2.452 -1.092 5750TIP3 OH223558 -1.712 -0.564 -2.256 5750TIP3 H123559 -1.616 -0.562 -2.249 5750TIP3 H223560 -1.726 -0.526 -2.344 5751TIP3 OH223561 -2.325 -1.137 -2.308 5751TIP3 H123562 -2.230 -1.118 -2.293 5751TIP3 H223563 -2.322 -1.213 -2.368 5752TIP3 OH223564 -2.424 -0.606 -1.839 5752TIP3 H123565 -2.490 -0.654 -1.892 5752TIP3 H223566 -2.398 -0.672 -1.772 5753TIP3 OH223567 -2.387 -0.808 -1.625 5753TIP3 H123568 -2.409 -0.896 -1.592 5753TIP3 H223569 -2.348 -0.770 -1.544 5754TIP3 OH223570 -0.698 -1.332 -2.023 5754TIP3 H123571 -0.611 -1.291 -2.010 5754TIP3 H223572 -0.697 -1.401 -1.954 5755TIP3 OH223573 -0.656 -1.532 -1.836 5755TIP3 H123574 -0.709 -1.602 -1.799 5755TIP3 H223575 -0.582 -1.523 -1.775 5756TIP3 OH223576 -0.619 -1.563 -2.194 5756TIP3 H123577 -0.672 -1.535 -2.271 5756TIP3 H223578 -0.638 -1.491 -2.132 5757TIP3 OH223579 -0.797 -1.814 -2.356 5757TIP3 H123580 -0.774 -1.753 -2.428 5757TIP3 H223581 -0.822 -1.895 -2.405 5758TIP3 OH223582 -2.377 -1.482 -1.394 5758TIP3 H123583 -2.346 -1.471 -1.486 5758TIP3 H223584 -2.292 -1.501 -1.350 5759TIP3 OH223585 -0.856 -2.077 -2.440 5759TIP3 H123586 -0.796 -2.129 -2.385 5759TIP3 H223587 -0.935 -2.132 -2.450 5760TIP3 OH223588 -0.862 -1.937 -1.923 5760TIP3 H123589 -0.847 -2.029 -1.943 5760TIP3 H223590 -0.779 -1.896 -1.954 5761TIP3 OH223591 -2.348 -1.951 -0.756 5761TIP3 H123592 -2.264 -1.988 -0.730 5761TIP3 H223593 -2.406 -2.029 -0.753 5762TIP3 OH223594 -2.312 -2.109 -1.469 5762TIP3 H123595 -2.269 -2.196 -1.461 5762TIP3 H223596 -2.241 -2.051 -1.435 5763TIP3 OH223597 -2.462 -1.831 -1.378 5763TIP3 H123598 -2.393 -1.847 -1.444 5763TIP3 H223599 -2.421 -1.760 -1.326 5764TIP3 OH223600 -0.642 -2.188 -2.280 5764TIP3 H123601 -0.601 -2.263 -2.325 5764TIP3 H223602 -0.564 -2.133 -2.258 5765TIP3 OH223603 -2.412 -2.211 -1.968 5765TIP3 H123604 -2.509 -2.195 -1.975 5765TIP3 H223605 -2.375 -2.146 -2.030 5766TIP3 OH223606 -0.935 -0.687 -1.756 5766TIP3 H123607 -0.875 -0.716 -1.827 5766TIP3 H223608 -0.877 -0.638 -1.698 5767TIP3 OH223609 -2.401 -2.312 -1.150 5767TIP3 H123610 -2.469 -2.351 -1.093 5767TIP3 H223611 -2.454 -2.276 -1.222 5768TIP3 OH223612 -2.251 -0.735 -1.372 5768TIP3 H123613 -2.210 -0.748 -1.286 5768TIP3 H223614 -2.172 -0.728 -1.428 5769TIP3 OH223615 -2.027 -0.859 -1.537 5769TIP3 H123616 -2.039 -0.951 -1.507 5769TIP3 H223617 -1.935 -0.843 -1.506 5770TIP3 OH223618 -1.768 -0.834 -1.445 5770TIP3 H123619 -1.699 -0.892 -1.477 5770TIP3 H223620 -1.729 -0.802 -1.362 5771TIP3 OH223621 -1.402 -2.231 -1.516 5771TIP3 H123622 -1.479 -2.289 -1.501 5771TIP3 H223623 -1.362 -2.273 -1.593 5772TIP3 OH223624 -0.874 -2.428 -1.527 5772TIP3 H123625 -0.809 -2.357 -1.538 5772TIP3 H223626 -0.960 -2.383 -1.531 5773TIP3 OH223627 -2.176 -2.355 -1.771 5773TIP3 H123628 -2.263 -2.370 -1.813 5773TIP3 H223629 -2.135 -2.443 -1.781 5774TIP3 OH223630 -2.297 -2.406 -2.180 5774TIP3 H123631 -2.246 -2.338 -2.229 5774TIP3 H223632 -2.339 -2.353 -2.110 5775TIP3 OH223633 -1.727 -2.368 -1.782 5775TIP3 H123634 -1.632 -2.348 -1.788 5775TIP3 H223635 -1.737 -2.379 -1.687 5776TIP3 OH223636 -1.141 -2.379 -1.659 5776TIP3 H123637 -1.192 -2.397 -1.739 5776TIP3 H223638 -1.184 -2.443 -1.598 5777TIP3 OH223639 -2.275 -0.807 -2.067 5777TIP3 H123640 -2.342 -0.813 -2.137 5777TIP3 H223641 -2.276 -0.712 -2.050 5778TIP3 OH223642 -2.123 -2.222 -2.337 5778TIP3 H123643 -2.063 -2.281 -2.386 5778TIP3 H223644 -2.065 -2.190 -2.266 5779TIP3 OH223645 -1.606 -2.205 -2.078 5779TIP3 H123646 -1.587 -2.267 -2.006 5779TIP3 H223647 -1.595 -2.120 -2.033 5780TIP3 OH223648 -1.411 -0.626 -2.251 5780TIP3 H123649 -1.313 -0.626 -2.251 5780TIP3 H223650 -1.428 -0.696 -2.316 5781TIP3 OH223651 -0.720 -0.723 -1.960 5781TIP3 H123652 -0.749 -0.798 -2.013 5781TIP3 H223653 -0.725 -0.649 -2.021 5782TIP3 OH223654 -2.181 -2.319 -0.756 5782TIP3 H123655 -2.220 -2.408 -0.765 5782TIP3 H223656 -2.098 -2.329 -0.803 5783TIP3 OH223657 -2.134 -0.717 -2.383 5783TIP3 H123658 -2.158 -0.689 -2.294 5783TIP3 H223659 -2.055 -0.772 -2.367 5784TIP3 OH223660 1.221 -2.122 -1.295 5784TIP3 H123661 1.229 -2.044 -1.240 5784TIP3 H223662 1.278 -2.096 -1.370 5785TIP3 OH223663 0.682 -1.848 -1.329 5785TIP3 H123664 0.684 -1.944 -1.321 5785TIP3 H223665 0.646 -1.837 -1.419 5786TIP3 OH223666 -0.037 -2.051 -1.613 5786TIP3 H123667 -0.013 -1.966 -1.656 5786TIP3 H223668 -0.066 -2.102 -1.691 5787TIP3 OH223669 0.757 -2.037 -1.793 5787TIP3 H123670 0.809 -2.075 -1.719 5787TIP3 H223671 0.824 -1.980 -1.833 5788TIP3 OH223672 -0.152 -2.154 -1.216 5788TIP3 H123673 -0.179 -2.082 -1.277 5788TIP3 H223674 -0.215 -2.139 -1.143 5789TIP3 OH223675 0.945 -2.107 -1.577 5789TIP3 H123676 0.899 -2.164 -1.515 5789TIP3 H223677 0.990 -2.044 -1.517 5790TIP3 OH223678 -0.188 -1.952 -1.400 5790TIP3 H123679 -0.148 -1.872 -1.360 5790TIP3 H223680 -0.128 -1.971 -1.475 5791TIP3 OH223681 -0.432 -1.235 -2.026 5791TIP3 H123682 -0.447 -1.186 -2.108 5791TIP3 H223683 -0.412 -1.164 -1.961 5792TIP3 OH223684 0.953 -2.197 -1.201 5792TIP3 H123685 0.875 -2.156 -1.242 5792TIP3 H223686 1.025 -2.174 -1.262 5793TIP3 OH223687 0.265 -2.423 -1.498 5793TIP3 H123688 0.243 -2.518 -1.499 5793TIP3 H223689 0.186 -2.384 -1.456 5794TIP3 OH223690 0.895 -1.138 -1.850 5794TIP3 H123691 0.807 -1.119 -1.885 5794TIP3 H223692 0.885 -1.107 -1.758 5795TIP3 OH223693 0.447 -1.469 -2.013 5795TIP3 H123694 0.379 -1.470 -2.080 5795TIP3 H223695 0.527 -1.491 -2.060 5796TIP3 OH223696 0.506 -1.700 -2.306 5796TIP3 H123697 0.578 -1.684 -2.244 5796TIP3 H223698 0.545 -1.767 -2.365 5797TIP3 OH223699 0.729 -1.544 -2.126 5797TIP3 H123700 0.791 -1.598 -2.076 5797TIP3 H223701 0.780 -1.523 -2.208 5798TIP3 OH223702 1.065 -2.410 -2.212 5798TIP3 H123703 0.979 -2.399 -2.169 5798TIP3 H223704 1.102 -2.320 -2.207 5799TIP3 OH223705 1.202 -0.988 -2.348 5799TIP3 H123706 1.220 -0.893 -2.333 5799TIP3 H223707 1.291 -1.027 -2.335 5800TIP3 OH223708 -0.210 -0.746 -1.786 5800TIP3 H123709 -0.189 -0.763 -1.694 5800TIP3 H223710 -0.301 -0.773 -1.793 5801TIP3 OH223711 0.778 -0.705 -2.218 5801TIP3 H123712 0.804 -0.772 -2.283 5801TIP3 H223713 0.738 -0.759 -2.150 5802TIP3 OH223714 0.027 -2.307 -1.398 5802TIP3 H123715 -0.053 -2.316 -1.454 5802TIP3 H223716 -0.001 -2.232 -1.343 5803TIP3 OH223717 0.463 -2.356 -1.044 5803TIP3 H123718 0.513 -2.402 -0.974 5803TIP3 H223719 0.371 -2.382 -1.026 5804TIP3 OH223720 0.778 -1.971 -0.994 5804TIP3 H123721 0.725 -1.990 -0.914 5804TIP3 H223722 0.762 -1.877 -1.007 5805TIP3 OH223723 0.881 -1.488 -2.351 5805TIP3 H123724 0.851 -1.501 -2.443 5805TIP3 H223725 0.974 -1.464 -2.367 5806TIP3 OH223726 0.442 -2.098 -2.310 5806TIP3 H123727 0.392 -2.113 -2.228 5806TIP3 H223728 0.402 -2.166 -2.368 5807TIP3 OH223729 0.018 -1.833 -1.758 5807TIP3 H123730 -0.064 -1.783 -1.766 5807TIP3 H223731 0.054 -1.827 -1.847 5808TIP3 OH223732 0.566 -1.746 -1.894 5808TIP3 H123733 0.511 -1.676 -1.931 5808TIP3 H223734 0.626 -1.769 -1.966 5809TIP3 OH223735 0.450 -1.753 -0.755 5809TIP3 H123736 0.401 -1.825 -0.713 5809TIP3 H223737 0.534 -1.751 -0.707 5810TIP3 OH223738 0.636 -1.816 -1.612 5810TIP3 H123739 0.601 -1.766 -1.688 5810TIP3 H223740 0.645 -1.904 -1.651 5811TIP3 OH223741 -0.220 -1.826 -1.117 5811TIP3 H123742 -0.213 -1.754 -1.052 5811TIP3 H223743 -0.286 -1.884 -1.078 5812TIP3 OH223744 0.086 -2.057 -2.422 5812TIP3 H123745 0.051 -2.086 -2.336 5812TIP3 H223746 0.005 -2.039 -2.472 5813TIP3 OH223747 -0.425 -2.033 -2.159 5813TIP3 H123748 -0.355 -1.984 -2.206 5813TIP3 H223749 -0.473 -1.960 -2.116 5814TIP3 OH223750 0.579 -1.651 -1.131 5814TIP3 H123751 0.610 -1.706 -1.204 5814TIP3 H223752 0.506 -1.704 -1.094 5815TIP3 OH223753 0.279 -2.066 -1.672 5815TIP3 H123754 0.185 -2.059 -1.647 5815TIP3 H223755 0.321 -2.071 -1.584 5816TIP3 OH223756 -0.276 -1.906 -1.864 5816TIP3 H123757 -0.364 -1.924 -1.830 5816TIP3 H223758 -0.229 -1.991 -1.853 5817TIP3 OH223759 0.103 -1.918 -2.047 5817TIP3 H123760 0.195 -1.895 -2.027 5817TIP3 H223761 0.071 -1.846 -2.103 5818TIP3 OH223762 0.718 -2.152 -1.371 5818TIP3 H123763 0.657 -2.148 -1.294 5818TIP3 H223764 0.655 -2.182 -1.439 5819TIP3 OH223765 -0.056 -1.780 -2.255 5819TIP3 H123766 -0.104 -1.808 -2.335 5819TIP3 H223767 0.025 -1.741 -2.293 5820TIP3 OH223768 -0.100 -2.159 -1.862 5820TIP3 H123769 -0.153 -2.240 -1.853 5820TIP3 H223770 -0.020 -2.190 -1.906 5821TIP3 OH223771 0.241 -1.941 -1.270 5821TIP3 H123772 0.178 -1.870 -1.259 5821TIP3 H223773 0.315 -1.912 -1.214 5822TIP3 OH223774 0.709 -2.042 -2.293 5822TIP3 H123775 0.611 -2.047 -2.300 5822TIP3 H223776 0.724 -1.967 -2.233 5823TIP3 OH223777 0.780 -1.842 -2.090 5823TIP3 H123778 0.862 -1.877 -2.048 5823TIP3 H223779 0.815 -1.789 -2.162 5824TIP3 OH223780 1.233 -1.857 -2.116 5824TIP3 H123781 1.183 -1.880 -2.197 5824TIP3 H223782 1.248 -1.762 -2.133 5825TIP3 OH223783 1.054 -0.981 -2.092 5825TIP3 H123784 1.048 -1.061 -2.039 5825TIP3 H223785 1.106 -1.008 -2.169 5826TIP3 OH223786 0.770 -1.456 -1.377 5826TIP3 H123787 0.695 -1.502 -1.340 5826TIP3 H223788 0.840 -1.521 -1.377 5827TIP3 OH223789 -0.345 -1.551 -2.294 5827TIP3 H123790 -0.294 -1.485 -2.244 5827TIP3 H223791 -0.435 -1.536 -2.259 5828TIP3 OH223792 0.826 -1.165 -2.286 5828TIP3 H123793 0.827 -1.216 -2.205 5828TIP3 H223794 0.731 -1.168 -2.310 5829TIP3 OH223795 1.257 -0.716 -2.266 5829TIP3 H123796 1.329 -0.656 -2.293 5829TIP3 H223797 1.187 -0.651 -2.255 5830TIP3 OH223798 -0.343 -2.086 -1.018 5830TIP3 H123799 -0.433 -2.056 -1.032 5830TIP3 H223800 -0.355 -2.170 -0.970 5831TIP3 OH223801 0.297 -1.051 -2.456 5831TIP3 H123802 0.286 -1.127 -2.517 5831TIP3 H223803 0.216 -1.056 -2.404 5832TIP3 OH223804 0.561 -2.106 -1.150 5832TIP3 H123805 0.619 -2.074 -1.080 5832TIP3 H223806 0.512 -2.178 -1.106 5833TIP3 OH223807 0.626 -2.164 -2.022 5833TIP3 H123808 0.646 -2.113 -2.101 5833TIP3 H223809 0.672 -2.115 -1.951 5834TIP3 OH223810 0.369 -1.959 -1.927 5834TIP3 H123811 0.447 -1.905 -1.904 5834TIP3 H223812 0.334 -1.982 -1.839 5835TIP3 OH223813 0.404 -1.844 -1.015 5835TIP3 H123814 0.403 -1.805 -0.925 5835TIP3 H223815 0.446 -1.929 -0.996 5836TIP3 OH223816 0.423 -2.263 -1.836 5836TIP3 H123817 0.403 -2.197 -1.766 5836TIP3 H223818 0.497 -2.221 -1.883 5837TIP3 OH223819 -0.004 -2.161 -2.179 5837TIP3 H123820 0.001 -2.081 -2.122 5837TIP3 H223821 0.078 -2.207 -2.152 5838TIP3 OH223822 1.045 -2.073 -0.942 5838TIP3 H123823 0.950 -2.054 -0.937 5838TIP3 H223824 1.053 -2.099 -1.034 5839TIP3 OH223825 0.888 -1.704 -1.550 5839TIP3 H123826 0.796 -1.736 -1.549 5839TIP3 H223827 0.928 -1.759 -1.480 5840TIP3 OH223828 -0.344 -1.847 -2.370 5840TIP3 H123829 -0.331 -1.758 -2.333 5840TIP3 H223830 -0.438 -1.848 -2.392 5841TIP3 OH223831 1.014 -0.785 -1.425 5841TIP3 H123832 0.923 -0.769 -1.392 5841TIP3 H223833 1.064 -0.785 -1.342 5842TIP3 OH223834 -0.236 -2.371 -1.497 5842TIP3 H123835 -0.278 -2.358 -1.584 5842TIP3 H223836 -0.287 -2.445 -1.459 5843TIP3 OH223837 -0.380 -1.007 -1.871 5843TIP3 H123838 -0.451 -0.948 -1.843 5843TIP3 H223839 -0.322 -0.944 -1.916 5844TIP3 OH223840 0.902 -0.895 -2.399 5844TIP3 H123841 0.920 -0.976 -2.349 5844TIP3 H223842 0.982 -0.887 -2.454 5845TIP3 OH223843 0.558 -1.199 -2.445 5845TIP3 H123844 0.488 -1.166 -2.388 5845TIP3 H223845 0.525 -1.288 -2.472 5846TIP3 OH223846 0.197 -1.678 -2.354 5846TIP3 H123847 0.189 -1.668 -2.450 5846TIP3 H223848 0.293 -1.675 -2.341 5847TIP3 OH223849 1.146 -1.451 -2.441 5847TIP3 H123850 1.127 -1.489 -2.530 5847TIP3 H223851 1.141 -1.356 -2.463 5848TIP3 OH223852 0.076 -1.965 -0.863 5848TIP3 H123853 0.079 -2.034 -0.931 5848TIP3 H223854 0.054 -1.886 -0.914 5849TIP3 OH223855 0.117 -2.145 -1.119 5849TIP3 H123856 0.165 -2.086 -1.181 5849TIP3 H223857 0.024 -2.135 -1.148 5850TIP3 OH223858 0.740 -1.827 -0.624 5850TIP3 H123859 0.760 -1.918 -0.598 5850TIP3 H223860 0.814 -1.776 -0.592 5851TIP3 OH223861 -0.094 -1.840 -0.632 5851TIP3 H123862 -0.174 -1.883 -0.669 5851TIP3 H223863 -0.038 -1.829 -0.709 5852TIP3 OH223864 0.186 -2.411 -1.078 5852TIP3 H123865 0.170 -2.316 -1.093 5852TIP3 H223866 0.114 -2.451 -1.129 5853TIP3 OH223867 0.307 -1.983 -0.704 5853TIP3 H123868 0.269 -1.983 -0.615 5853TIP3 H223869 0.225 -1.976 -0.757 5854TIP3 OH223870 0.573 -2.063 -0.809 5854TIP3 H123871 0.485 -2.050 -0.770 5854TIP3 H223872 0.622 -2.105 -0.735 5855TIP3 OH223873 0.765 -2.169 -0.614 5855TIP3 H123874 0.765 -2.265 -0.613 5855TIP3 H223875 0.755 -2.146 -0.519 5856TIP3 OH223876 -0.280 -2.040 -0.682 5856TIP3 H123877 -0.277 -2.103 -0.755 5856TIP3 H223878 -0.281 -2.099 -0.604 5857TIP3 OH223879 0.170 -2.464 -0.797 5857TIP3 H123880 0.225 -2.543 -0.790 5857TIP3 H223881 0.168 -2.449 -0.893 5858TIP3 OH223882 0.260 -2.290 -0.601 5858TIP3 H123883 0.230 -2.345 -0.677 5858TIP3 H223884 0.205 -2.212 -0.612 5859TIP3 OH223885 -0.420 -1.133 -2.319 5859TIP3 H123886 -0.326 -1.130 -2.296 5859TIP3 H223887 -0.426 -1.214 -2.373 5860TIP3 OH223888 1.271 -0.671 -1.333 5860TIP3 H123889 1.264 -0.668 -1.237 5860TIP3 H223890 1.364 -0.652 -1.345 5861TIP3 OH223891 1.217 -1.491 -1.847 5861TIP3 H123892 1.180 -1.569 -1.802 5861TIP3 H223893 1.302 -1.479 -1.798 5862TIP3 OH223894 1.212 -1.241 -1.316 5862TIP3 H123895 1.252 -1.317 -1.360 5862TIP3 H223896 1.216 -1.169 -1.380 5863TIP3 OH223897 1.201 -1.526 -2.151 5863TIP3 H123898 1.204 -1.516 -2.248 5863TIP3 H223899 1.270 -1.467 -2.120 5864TIP3 OH223900 1.081 -1.810 -2.363 5864TIP3 H123901 1.114 -1.759 -2.439 5864TIP3 H223902 1.060 -1.896 -2.404 5865TIP3 OH223903 0.994 -1.653 -1.801 5865TIP3 H123904 0.999 -1.749 -1.817 5865TIP3 H223905 0.961 -1.656 -1.707 5866TIP3 OH223906 1.030 -2.075 -2.436 5866TIP3 H123907 1.093 -2.129 -2.384 5866TIP3 H223908 0.956 -2.135 -2.452 5867TIP3 OH223909 1.014 -1.938 -1.947 5867TIP3 H123910 1.033 -2.033 -1.930 5867TIP3 H223911 1.098 -1.913 -1.989 5868TIP3 OH223912 1.031 -1.885 -1.381 5868TIP3 H123913 1.127 -1.865 -1.381 5868TIP3 H223914 1.008 -1.867 -1.289 5869TIP3 OH223915 1.291 -2.373 -0.624 5869TIP3 H123916 1.336 -2.449 -0.667 5869TIP3 H223917 1.316 -2.301 -0.683 5870TIP3 OH223918 1.057 -2.225 -1.948 5870TIP3 H123919 1.071 -2.260 -1.859 5870TIP3 H223920 0.979 -2.277 -1.976 5871TIP3 OH223921 -0.417 -2.145 -1.443 5871TIP3 H123922 -0.350 -2.214 -1.436 5871TIP3 H223923 -0.365 -2.066 -1.422 5872TIP3 OH223924 1.255 -2.179 -2.283 5872TIP3 H123925 1.283 -2.259 -2.331 5872TIP3 H223926 1.337 -2.129 -2.278 5873TIP3 OH223927 -0.558 -2.215 -1.980 5873TIP3 H123928 -0.630 -2.156 -2.003 5873TIP3 H223929 -0.481 -2.160 -1.998 5874TIP3 OH223930 -0.554 -2.300 -1.124 5874TIP3 H123931 -0.617 -2.364 -1.087 5874TIP3 H223932 -0.600 -2.264 -1.200 5875TIP3 OH223933 1.135 -2.380 -0.960 5875TIP3 H123934 1.059 -2.347 -1.010 5875TIP3 H223935 1.153 -2.467 -1.001 5876TIP3 OH223936 0.477 -2.229 -1.522 5876TIP3 H123937 0.404 -2.293 -1.510 5876TIP3 H223938 0.535 -2.276 -1.583 5877TIP3 OH223939 0.970 -2.427 -1.480 5877TIP3 H123940 1.045 -2.379 -1.520 5877TIP3 H223941 0.895 -2.393 -1.530 5878TIP3 OH223942 1.176 -2.314 -1.693 5878TIP3 H123943 1.250 -2.355 -1.742 5878TIP3 H223944 1.209 -2.223 -1.681 5879TIP3 OH223945 -0.301 -2.356 -1.784 5879TIP3 H123946 -0.394 -2.373 -1.810 5879TIP3 H223947 -0.260 -2.444 -1.788 5880TIP3 OH223948 -0.414 -2.401 -2.172 5880TIP3 H123949 -0.359 -2.339 -2.223 5880TIP3 H223950 -0.462 -2.341 -2.112 5881TIP3 OH223951 0.158 -2.379 -1.780 5881TIP3 H123952 0.246 -2.340 -1.793 5881TIP3 H223953 0.152 -2.380 -1.684 5882TIP3 OH223954 0.715 -2.368 -1.642 5882TIP3 H123955 0.744 -2.389 -1.732 5882TIP3 H223956 0.678 -2.453 -1.613 5883TIP3 OH223957 0.827 -2.369 -2.042 5883TIP3 H123958 0.744 -2.319 -2.053 5883TIP3 H223959 0.793 -2.459 -2.026 5884TIP3 OH223960 -0.373 -0.808 -2.075 5884TIP3 H123961 -0.453 -0.799 -2.129 5884TIP3 H223962 -0.359 -0.716 -2.045 5885TIP3 OH223963 -0.236 -2.229 -2.337 5885TIP3 H123964 -0.172 -2.281 -2.387 5885TIP3 H223965 -0.180 -2.193 -2.266 5886TIP3 OH223966 0.274 -2.207 -2.076 5886TIP3 H123967 0.307 -2.263 -2.004 5886TIP3 H223968 0.287 -2.119 -2.038 5887TIP3 OH223969 1.155 -0.722 -1.978 5887TIP3 H123970 1.130 -0.805 -2.022 5887TIP3 H223971 1.127 -0.655 -2.041 5888TIP3 OH223972 -0.319 -2.332 -0.818 5888TIP3 H123973 -0.349 -2.415 -0.775 5888TIP3 H223974 -0.226 -2.336 -0.789 5889TIP3 OH223975 -0.069 -2.397 -0.623 5889TIP3 H123976 0.004 -2.437 -0.674 5889TIP3 H223977 -0.128 -2.474 -0.614 5890TIP3 OH223978 0.740 -2.474 -0.609 5890TIP3 H123979 0.757 -2.517 -0.525 5890TIP3 H223980 0.829 -2.476 -0.650 5891TIP3 OH223981 2.499 -1.481 -1.746 5891TIP3 H123982 2.495 -1.387 -1.724 5891TIP3 H223983 2.418 -1.493 -1.797 5892TIP3 OH223984 2.383 -1.539 -1.437 5892TIP3 H123985 2.382 -1.588 -1.353 5892TIP3 H223986 2.353 -1.607 -1.500 5893TIP3 OH223987 1.642 -1.560 -1.241 5893TIP3 H123988 1.636 -1.639 -1.184 5893TIP3 H223989 1.727 -1.522 -1.217 5894TIP3 OH223990 2.750 -1.238 -1.588 5894TIP3 H123991 2.719 -1.311 -1.534 5894TIP3 H223992 2.787 -1.180 -1.520 5895TIP3 OH223993 1.721 -1.124 -1.444 5895TIP3 H123994 1.690 -1.216 -1.457 5895TIP3 H223995 1.816 -1.138 -1.426 5896TIP3 OH223996 1.392 -1.776 -1.882 5896TIP3 H123997 1.360 -1.687 -1.867 5896TIP3 H223998 1.317 -1.821 -1.923 5897TIP3 OH223999 1.456 -1.530 -1.711 5897TIP3 H124000 1.468 -1.599 -1.643 5897TIP3 H224001 1.548 -1.509 -1.732 5898TIP3 OH224002 2.454 -0.725 -1.540 5898TIP3 H124003 2.509 -0.798 -1.572 5898TIP3 H224004 2.433 -0.757 -1.451 5899TIP3 OH224005 2.232 -1.291 -1.377 5899TIP3 H124006 2.269 -1.363 -1.430 5899TIP3 H224007 2.311 -1.269 -1.324 5900TIP3 OH224008 3.097 -2.133 -1.316 5900TIP3 H124009 3.121 -2.076 -1.242 5900TIP3 H224010 3.159 -2.101 -1.385 5901TIP3 OH224011 2.562 -1.853 -1.326 5901TIP3 H124012 2.576 -1.949 -1.321 5901TIP3 H224013 2.552 -1.840 -1.422 5902TIP3 OH224014 1.858 -2.051 -1.619 5902TIP3 H124015 1.872 -1.965 -1.663 5902TIP3 H224016 1.822 -2.103 -1.693 5903TIP3 OH224017 2.642 -2.037 -1.791 5903TIP3 H124018 2.697 -2.078 -1.719 5903TIP3 H224019 2.711 -1.990 -1.840 5904TIP3 OH224020 1.525 -1.778 -1.567 5904TIP3 H124021 1.586 -1.826 -1.509 5904TIP3 H224022 1.535 -1.827 -1.650 5905TIP3 OH224023 2.065 -1.639 -1.624 5905TIP3 H124024 2.135 -1.693 -1.583 5905TIP3 H224025 2.013 -1.707 -1.672 5906TIP3 OH224026 3.175 -1.990 -1.063 5906TIP3 H124027 3.112 -1.923 -1.095 5906TIP3 H224028 3.140 -2.006 -0.975 5907TIP3 OH224029 1.734 -2.171 -1.198 5907TIP3 H124030 1.696 -2.120 -1.272 5907TIP3 H224031 1.666 -2.155 -1.130 5908TIP3 OH224032 2.497 -1.189 -1.871 5908TIP3 H124033 2.447 -1.221 -1.946 5908TIP3 H224034 2.447 -1.111 -1.843 5909TIP3 OH224035 2.013 -1.381 -1.203 5909TIP3 H124036 1.965 -1.312 -1.152 5909TIP3 H224037 2.087 -1.329 -1.239 5910TIP3 OH224038 2.823 -2.108 -1.585 5910TIP3 H124039 2.799 -2.182 -1.526 5910TIP3 H224040 2.875 -2.053 -1.524 5911TIP3 OH224041 1.698 -1.968 -1.408 5911TIP3 H124042 1.761 -1.910 -1.360 5911TIP3 H224043 1.757 -2.003 -1.478 5912TIP3 OH224044 1.885 -1.179 -1.074 5912TIP3 H124045 1.877 -1.090 -1.109 5912TIP3 H224046 1.808 -1.186 -1.016 5913TIP3 OH224047 1.417 -1.240 -2.035 5913TIP3 H124048 1.415 -1.186 -2.115 5913TIP3 H224049 1.439 -1.174 -1.966 5914TIP3 OH224050 2.841 -2.194 -1.194 5914TIP3 H124051 2.761 -2.162 -1.242 5914TIP3 H224052 2.909 -2.185 -1.263 5915TIP3 OH224053 2.151 -2.423 -1.496 5915TIP3 H124054 2.129 -2.518 -1.499 5915TIP3 H224055 2.069 -2.385 -1.457 5916TIP3 OH224056 2.631 -0.885 -1.712 5916TIP3 H124057 2.680 -0.968 -1.715 5916TIP3 H224058 2.702 -0.820 -1.698 5917TIP3 OH224059 2.793 -1.114 -1.846 5917TIP3 H124060 2.714 -1.151 -1.890 5917TIP3 H224061 2.788 -1.158 -1.759 5918TIP3 OH224062 2.941 -1.191 -0.983 5918TIP3 H124063 2.927 -1.264 -1.045 5918TIP3 H224064 2.934 -1.119 -1.048 5919TIP3 OH224065 2.360 -1.531 -2.017 5919TIP3 H124066 2.294 -1.468 -2.052 5919TIP3 H224067 2.432 -1.523 -2.081 5920TIP3 OH224068 2.390 -1.708 -2.312 5920TIP3 H124069 2.458 -1.679 -2.248 5920TIP3 H224070 2.441 -1.768 -2.368 5921TIP3 OH224071 3.120 -1.602 -1.191 5921TIP3 H124072 3.042 -1.541 -1.186 5921TIP3 H224073 3.164 -1.564 -1.270 5922TIP3 OH224074 2.713 -1.531 -1.909 5922TIP3 H124075 2.644 -1.508 -1.842 5922TIP3 H224076 2.774 -1.585 -1.854 5923TIP3 OH224077 2.694 -1.675 -1.025 5923TIP3 H124078 2.700 -1.593 -0.974 5923TIP3 H224079 2.631 -1.646 -1.093 5924TIP3 OH224080 1.872 -1.452 -1.731 5924TIP3 H124081 1.842 -1.497 -1.812 5924TIP3 H224082 1.937 -1.515 -1.695 5925TIP3 OH224083 2.016 -1.113 -1.461 5925TIP3 H124084 2.015 -1.155 -1.548 5925TIP3 H224085 2.096 -1.154 -1.421 5926TIP3 OH224086 1.924 -1.573 -1.385 5926TIP3 H124087 1.986 -1.571 -1.461 5926TIP3 H224088 1.962 -1.504 -1.326 5927TIP3 OH224089 2.519 -1.018 -1.334 5927TIP3 H124090 2.558 -0.950 -1.277 5927TIP3 H224091 2.537 -1.100 -1.286 5928TIP3 OH224092 2.611 -1.586 -2.163 5928TIP3 H124093 2.654 -1.556 -2.079 5928TIP3 H224094 2.657 -1.528 -2.229 5929TIP3 OH224095 2.351 -0.925 -1.807 5929TIP3 H124096 2.404 -0.901 -1.730 5929TIP3 H224097 2.304 -0.843 -1.828 5930TIP3 OH224098 2.951 -2.410 -2.213 5930TIP3 H124099 2.863 -2.402 -2.172 5930TIP3 H224100 2.985 -2.320 -2.203 5931TIP3 OH224101 1.766 -1.577 -1.978 5931TIP3 H124102 1.742 -1.501 -2.033 5931TIP3 H224103 1.701 -1.643 -2.004 5932TIP3 OH224104 3.098 -0.990 -2.376 5932TIP3 H124105 3.110 -0.902 -2.333 5932TIP3 H224106 3.176 -1.038 -2.342 5933TIP3 OH224107 1.357 -1.014 -1.452 5933TIP3 H124108 1.445 -1.044 -1.427 5933TIP3 H224109 1.334 -0.951 -1.381 5934TIP3 OH224110 3.211 -0.954 -0.826 5934TIP3 H124111 3.200 -1.046 -0.856 5934TIP3 H224112 3.118 -0.930 -0.803 5935TIP3 OH224113 2.304 -1.021 -0.959 5935TIP3 H124114 2.320 -0.956 -0.888 5935TIP3 H224115 2.221 -1.060 -0.932 5936TIP3 OH224116 2.312 -0.650 -1.958 5936TIP3 H124117 2.310 -0.638 -2.054 5936TIP3 H224118 2.308 -0.559 -1.924 5937TIP3 OH224119 1.686 -0.760 -1.803 5937TIP3 H124120 1.707 -0.787 -1.711 5937TIP3 H224121 1.592 -0.781 -1.807 5938TIP3 OH224122 2.642 -0.718 -2.244 5938TIP3 H124123 2.692 -0.789 -2.286 5938TIP3 H224124 2.635 -0.750 -2.152 5939TIP3 OH224125 2.578 -0.768 -1.965 5939TIP3 H124126 2.483 -0.753 -1.946 5939TIP3 H224127 2.599 -0.831 -1.893 5940TIP3 OH224128 2.896 -1.820 -0.791 5940TIP3 H124129 2.838 -1.781 -0.858 5940TIP3 H224130 2.898 -1.913 -0.821 5941TIP3 OH224131 1.908 -2.309 -1.402 5941TIP3 H124132 1.825 -2.313 -1.452 5941TIP3 H224133 1.889 -2.234 -1.344 5942TIP3 OH224134 2.346 -2.352 -1.041 5942TIP3 H124135 2.399 -2.402 -0.975 5942TIP3 H224136 2.256 -2.384 -1.026 5943TIP3 OH224137 2.664 -1.970 -0.984 5943TIP3 H124138 2.600 -1.987 -0.913 5943TIP3 H224139 2.654 -1.875 -1.003 5944TIP3 OH224140 2.754 -1.471 -2.371 5944TIP3 H124141 2.744 -1.501 -2.463 5944TIP3 H224142 2.850 -1.455 -2.366 5945TIP3 OH224143 2.330 -2.101 -2.310 5945TIP3 H124144 2.279 -2.112 -2.228 5945TIP3 H224145 2.286 -2.167 -2.367 5946TIP3 OH224146 1.891 -1.831 -1.256 5946TIP3 H124147 1.832 -1.818 -1.179 5946TIP3 H224148 1.902 -1.740 -1.289 5947TIP3 OH224149 1.889 -1.821 -1.775 5947TIP3 H124150 1.793 -1.832 -1.790 5947TIP3 H224151 1.923 -1.843 -1.863 5948TIP3 OH224152 2.448 -1.767 -1.897 5948TIP3 H124153 2.408 -1.683 -1.928 5948TIP3 H224154 2.518 -1.780 -1.963 5949TIP3 OH224155 2.370 -1.742 -0.757 5949TIP3 H124156 2.313 -1.813 -0.723 5949TIP3 H224157 2.456 -1.761 -0.714 5950TIP3 OH224158 2.534 -1.827 -1.618 5950TIP3 H124159 2.506 -1.769 -1.691 5950TIP3 H224160 2.555 -1.908 -1.668 5951TIP3 OH224161 1.639 -1.814 -1.077 5951TIP3 H124162 1.654 -1.781 -0.987 5951TIP3 H224163 1.594 -1.899 -1.059 5952TIP3 OH224164 1.979 -2.060 -2.423 5952TIP3 H124165 1.940 -2.091 -2.339 5952TIP3 H224166 1.902 -2.024 -2.468 5953TIP3 OH224167 1.315 -2.065 -1.717 5953TIP3 H124168 1.373 -2.066 -1.639 5953TIP3 H224169 1.368 -2.108 -1.786 5954TIP3 OH224170 1.475 -2.024 -2.142 5954TIP3 H124171 1.528 -1.976 -2.208 5954TIP3 H224172 1.405 -1.959 -2.125 5955TIP3 OH224173 2.441 -1.658 -1.174 5955TIP3 H124174 2.487 -1.731 -1.222 5955TIP3 H224175 2.409 -1.705 -1.095 5956TIP3 OH224176 2.165 -2.064 -1.673 5956TIP3 H124177 2.071 -2.066 -1.647 5956TIP3 H224178 2.208 -2.080 -1.587 5957TIP3 OH224179 1.623 -1.938 -1.806 5957TIP3 H124180 1.539 -1.914 -1.850 5957TIP3 H224181 1.651 -2.018 -1.854 5958TIP3 OH224182 1.987 -1.908 -2.037 5958TIP3 H124183 2.083 -1.898 -2.030 5958TIP3 H224184 1.961 -1.847 -2.107 5959TIP3 OH224185 2.603 -2.144 -1.369 5959TIP3 H124186 2.540 -2.147 -1.294 5959TIP3 H224187 2.548 -2.181 -1.440 5960TIP3 OH224188 1.831 -1.780 -2.259 5960TIP3 H124189 1.773 -1.809 -2.331 5960TIP3 H224190 1.913 -1.763 -2.307 5961TIP3 OH224191 2.908 -0.574 -0.696 5961TIP3 H124192 2.909 -0.527 -0.780 5961TIP3 H224193 2.973 -0.525 -0.644 5962TIP3 OH224194 2.266 -1.810 -1.491 5962TIP3 H124195 2.343 -1.851 -1.533 5962TIP3 H224196 2.251 -1.868 -1.414 5963TIP3 OH224197 1.796 -2.166 -1.873 5963TIP3 H124198 1.742 -2.245 -1.857 5963TIP3 H224199 1.878 -2.204 -1.908 5964TIP3 OH224200 2.164 -1.963 -1.264 5964TIP3 H124201 2.088 -1.903 -1.260 5964TIP3 H224202 2.215 -1.938 -1.184 5965TIP3 OH224203 2.180 -1.325 -2.076 5965TIP3 H124204 2.102 -1.374 -2.109 5965TIP3 H224205 2.159 -1.317 -1.979 5966TIP3 OH224206 2.908 -1.427 -1.200 5966TIP3 H124207 2.942 -1.344 -1.242 5966TIP3 H224208 2.819 -1.430 -1.240 5967TIP3 OH224209 2.597 -2.034 -2.307 5967TIP3 H124210 2.499 -2.044 -2.301 5967TIP3 H224211 2.616 -1.970 -2.235 5968TIP3 OH224212 2.326 -1.329 -0.940 5968TIP3 H124213 2.308 -1.359 -0.850 5968TIP3 H224214 2.323 -1.234 -0.931 5969TIP3 OH224215 2.664 -1.860 -2.098 5969TIP3 H124216 2.748 -1.875 -2.050 5969TIP3 H224217 2.674 -1.769 -2.130 5970TIP3 OH224218 1.679 -1.401 -1.499 5970TIP3 H124219 1.747 -1.410 -1.568 5970TIP3 H224220 1.697 -1.478 -1.442 5971TIP3 OH224221 2.418 -1.187 -2.188 5971TIP3 H124222 2.395 -1.102 -2.144 5971TIP3 H224223 2.346 -1.244 -2.156 5972TIP3 OH224224 2.106 -1.592 -0.738 5972TIP3 H124225 2.073 -1.610 -0.826 5972TIP3 H224226 2.199 -1.613 -0.744 5973TIP3 OH224227 2.585 -1.086 -0.976 5973TIP3 H124228 2.498 -1.054 -1.008 5973TIP3 H224229 2.596 -1.034 -0.896 5974TIP3 OH224230 3.123 -1.862 -2.119 5974TIP3 H124231 3.064 -1.877 -2.195 5974TIP3 H224232 3.136 -1.765 -2.128 5975TIP3 OH224233 3.165 -1.258 -0.840 5975TIP3 H124234 3.075 -1.226 -0.863 5975TIP3 H224235 3.201 -1.272 -0.930 5976TIP3 OH224236 2.932 -1.002 -2.122 5976TIP3 H124237 2.907 -1.063 -2.050 5976TIP3 H224238 3.007 -1.046 -2.162 5977TIP3 OH224239 2.667 -1.465 -1.365 5977TIP3 H124240 2.574 -1.479 -1.392 5977TIP3 H224241 2.713 -1.533 -1.418 5978TIP3 OH224242 1.929 -1.058 -1.775 5978TIP3 H124243 1.974 -0.971 -1.775 5978TIP3 H224244 1.837 -1.031 -1.788 5979TIP3 OH224245 1.517 -1.575 -2.291 5979TIP3 H124246 1.586 -1.514 -2.258 5979TIP3 H224247 1.440 -1.517 -2.287 5980TIP3 OH224248 2.114 -1.287 -1.809 5980TIP3 H124249 2.084 -1.196 -1.791 5980TIP3 H224250 2.046 -1.338 -1.763 5981TIP3 OH224251 2.140 -0.871 -1.179 5981TIP3 H124252 2.191 -0.793 -1.205 5981TIP3 H224253 2.202 -0.917 -1.122 5982TIP3 OH224254 1.976 -0.765 -1.850 5982TIP3 H124255 1.881 -0.754 -1.837 5982TIP3 H224256 2.010 -0.677 -1.821 5983TIP3 OH224257 2.468 -1.292 -1.213 5983TIP3 H124258 2.444 -1.314 -1.122 5983TIP3 H224259 2.547 -1.346 -1.227 5984TIP3 OH224260 2.690 -1.147 -2.323 5984TIP3 H124261 2.733 -1.191 -2.247 5984TIP3 H224262 2.597 -1.164 -2.299 5985TIP3 OH224263 2.760 -0.817 -0.948 5985TIP3 H124264 2.691 -0.862 -0.999 5985TIP3 H224265 2.769 -0.736 -1.001 5986TIP3 OH224266 3.161 -0.731 -2.271 5986TIP3 H124267 3.233 -0.666 -2.286 5986TIP3 H224268 3.086 -0.668 -2.264 5987TIP3 OH224269 1.532 -2.086 -1.011 5987TIP3 H124270 1.439 -2.063 -1.019 5987TIP3 H224271 1.527 -2.171 -0.963 5988TIP3 OH224272 2.785 -1.303 -2.093 5988TIP3 H124273 2.755 -1.365 -2.024 5988TIP3 H224274 2.878 -1.292 -2.069 5989TIP3 OH224275 2.112 -1.052 -2.464 5989TIP3 H124276 2.141 -1.133 -2.511 5989TIP3 H224277 2.071 -1.090 -2.385 5990TIP3 OH224278 1.997 -1.099 -2.193 5990TIP3 H124279 2.046 -1.152 -2.128 5990TIP3 H224280 2.011 -1.008 -2.159 5991TIP3 OH224281 1.667 -1.349 -2.150 5991TIP3 H124282 1.599 -1.311 -2.092 5991TIP3 H224283 1.718 -1.269 -2.173 5992TIP3 OH224284 2.447 -2.110 -1.150 5992TIP3 H124285 2.508 -2.082 -1.080 5992TIP3 H224286 2.398 -2.182 -1.108 5993TIP3 OH224287 2.516 -2.167 -2.024 5993TIP3 H124288 2.527 -2.106 -2.099 5993TIP3 H224289 2.555 -2.116 -1.951 5994TIP3 OH224290 2.289 -0.940 -2.132 5994TIP3 H124291 2.210 -0.889 -2.107 5994TIP3 H224292 2.327 -0.885 -2.202 5995TIP3 OH224293 2.253 -1.966 -1.930 5995TIP3 H124294 2.327 -1.903 -1.914 5995TIP3 H224295 2.223 -1.983 -1.839 5996TIP3 OH224296 2.289 -1.872 -1.015 5996TIP3 H124297 2.288 -1.819 -0.933 5996TIP3 H224298 2.342 -1.948 -0.987 5997TIP3 OH224299 2.307 -2.264 -1.837 5997TIP3 H124300 2.290 -2.198 -1.767 5997TIP3 H224301 2.383 -2.223 -1.883 5998TIP3 OH224302 2.011 -0.828 -2.129 5998TIP3 H124303 2.004 -0.745 -2.180 5998TIP3 H224304 1.997 -0.797 -2.037 5999TIP3 OH224305 1.885 -2.161 -2.183 5999TIP3 H124306 1.885 -2.086 -2.121 5999TIP3 H224307 1.965 -2.209 -2.155 6000TIP3 OH224308 2.919 -2.070 -0.927 6000TIP3 H124309 2.822 -2.058 -0.939 6000TIP3 H224310 2.939 -2.100 -1.017 6001TIP3 OH224311 2.769 -1.690 -1.527 6001TIP3 H124312 2.684 -1.733 -1.548 6001TIP3 H224313 2.816 -1.759 -1.476 6002TIP3 OH224314 1.723 -1.075 -2.278 6002TIP3 H124315 1.795 -1.024 -2.235 6002TIP3 H224316 1.776 -1.127 -2.340 6003TIP3 OH224317 1.531 -1.852 -2.353 6003TIP3 H124318 1.542 -1.758 -2.332 6003TIP3 H224319 1.452 -1.852 -2.408 6004TIP3 OH224320 2.837 -0.785 -1.377 6004TIP3 H124321 2.864 -0.705 -1.424 6004TIP3 H224322 2.919 -0.834 -1.364 6005TIP3 OH224323 1.632 -2.353 -1.485 6005TIP3 H124324 1.612 -2.355 -1.581 6005TIP3 H224325 1.597 -2.438 -1.454 6006TIP3 OH224326 1.500 -1.021 -1.876 6006TIP3 H124327 1.441 -0.957 -1.835 6006TIP3 H224328 1.565 -0.963 -1.918 6007TIP3 OH224329 2.334 -0.879 -2.418 6007TIP3 H124330 2.256 -0.939 -2.420 6007TIP3 H224331 2.402 -0.941 -2.450 6008TIP3 OH224332 2.538 -0.989 -0.690 6008TIP3 H124333 2.542 -1.082 -0.668 6008TIP3 H224334 2.609 -0.949 -0.636 6009TIP3 OH224335 2.814 -0.897 -2.445 6009TIP3 H124336 2.826 -0.961 -2.373 6009TIP3 H224337 2.904 -0.865 -2.460 6010TIP3 OH224338 1.876 -1.309 -2.429 6010TIP3 H124339 1.893 -1.367 -2.353 6010TIP3 H224340 1.963 -1.313 -2.474 6011TIP3 OH224341 2.403 -1.173 -2.467 6011TIP3 H124342 2.396 -1.179 -2.370 6011TIP3 H224343 2.395 -1.268 -2.490 6012TIP3 OH224344 2.657 -1.371 -0.958 6012TIP3 H124345 2.731 -1.316 -0.987 6012TIP3 H224346 2.588 -1.303 -0.952 6013TIP3 OH224347 1.980 -1.498 -2.198 6013TIP3 H124348 1.925 -1.550 -2.138 6013TIP3 H224349 2.013 -1.567 -2.259 6014TIP3 OH224350 1.897 -1.699 -0.969 6014TIP3 H124351 1.870 -1.620 -0.922 6014TIP3 H224352 1.975 -1.669 -1.020 6015TIP3 OH224353 2.081 -1.697 -2.369 6015TIP3 H124354 2.075 -1.690 -2.466 6015TIP3 H224355 2.178 -1.699 -2.356 6016TIP3 OH224356 2.478 -1.435 -0.646 6016TIP3 H124357 2.558 -1.485 -0.668 6016TIP3 H224358 2.418 -1.503 -0.615 6017TIP3 OH224359 3.022 -1.451 -2.431 6017TIP3 H124360 3.022 -1.491 -2.520 6017TIP3 H224361 3.046 -1.360 -2.451 6018TIP3 OH224362 1.956 -1.987 -0.852 6018TIP3 H124363 1.968 -2.052 -0.924 6018TIP3 H224364 1.939 -1.905 -0.901 6019TIP3 OH224365 2.000 -2.148 -1.111 6019TIP3 H124366 2.052 -2.093 -1.172 6019TIP3 H224367 1.909 -2.140 -1.144 6020TIP3 OH224368 2.147 -1.602 -1.080 6020TIP3 H124369 2.236 -1.608 -1.118 6020TIP3 H224370 2.125 -1.509 -1.098 6021TIP3 OH224371 2.611 -1.804 -0.595 6021TIP3 H124372 2.628 -1.898 -0.577 6021TIP3 H224373 2.700 -1.768 -0.602 6022TIP3 OH224374 2.725 -1.532 -0.745 6022TIP3 H124375 2.682 -1.473 -0.810 6022TIP3 H224376 2.814 -1.539 -0.786 6023TIP3 OH224377 1.783 -1.815 -0.657 6023TIP3 H124378 1.712 -1.881 -0.669 6023TIP3 H224379 1.857 -1.849 -0.708 6024TIP3 OH224380 2.072 -2.414 -1.076 6024TIP3 H124381 2.055 -2.318 -1.091 6024TIP3 H224382 2.000 -2.454 -1.129 6025TIP3 OH224383 2.197 -1.963 -0.699 6025TIP3 H124384 2.163 -1.979 -0.609 6025TIP3 H224385 2.114 -1.976 -0.749 6026TIP3 OH224386 2.451 -2.052 -0.812 6026TIP3 H124387 2.363 -2.044 -0.771 6026TIP3 H224388 2.496 -2.115 -0.751 6027TIP3 OH224389 2.644 -2.204 -0.635 6027TIP3 H124390 2.621 -2.298 -0.621 6027TIP3 H224391 2.618 -2.162 -0.550 6028TIP3 OH224392 1.590 -2.040 -0.672 6028TIP3 H124393 1.610 -2.099 -0.746 6028TIP3 H224394 1.604 -2.099 -0.595 6029TIP3 OH224395 2.054 -2.467 -0.795 6029TIP3 H124396 2.117 -2.541 -0.789 6029TIP3 H224397 2.053 -2.450 -0.891 6030TIP3 OH224398 2.151 -2.280 -0.609 6030TIP3 H124399 2.115 -2.336 -0.680 6030TIP3 H224400 2.084 -2.210 -0.600 6031TIP3 OH224401 2.056 -0.574 -2.263 6031TIP3 H124402 2.151 -0.559 -2.245 6031TIP3 H224403 2.046 -0.527 -2.346 6032TIP3 OH224404 1.447 -1.134 -2.308 6032TIP3 H124405 1.542 -1.114 -2.290 6032TIP3 H224406 1.454 -1.212 -2.366 6033TIP3 OH224407 1.400 -0.802 -1.659 6033TIP3 H124408 1.357 -0.883 -1.627 6033TIP3 H224409 1.407 -0.755 -1.574 6034TIP3 OH224410 3.145 -0.669 -1.345 6034TIP3 H124411 3.139 -0.693 -1.251 6034TIP3 H224412 3.240 -0.665 -1.359 6035TIP3 OH224413 3.111 -0.759 -1.055 6035TIP3 H124414 3.053 -0.829 -1.089 6035TIP3 H224415 3.166 -0.807 -0.992 6036TIP3 OH224416 2.941 -1.187 -0.586 6036TIP3 H124417 2.850 -1.191 -0.555 6036TIP3 H224418 2.971 -1.099 -0.559 6037TIP3 OH224419 3.075 -1.308 -2.046 6037TIP3 H124420 3.165 -1.278 -2.025 6037TIP3 H224421 3.060 -1.370 -1.972 6038TIP3 OH224422 3.117 -1.516 -1.850 6038TIP3 H124423 3.049 -1.568 -1.803 6038TIP3 H224424 3.184 -1.500 -1.780 6039TIP3 OH224425 3.147 -1.568 -2.190 6039TIP3 H124426 3.091 -1.538 -2.263 6039TIP3 H224427 3.131 -1.500 -2.123 6040TIP3 OH224428 2.964 -1.810 -2.366 6040TIP3 H124429 2.998 -1.750 -2.434 6040TIP3 H224430 2.947 -1.892 -2.415 6041TIP3 OH224431 2.908 -1.701 -1.766 6041TIP3 H124432 2.901 -1.797 -1.776 6041TIP3 H224433 2.872 -1.688 -1.676 6042TIP3 OH224434 1.384 -1.510 -1.388 6042TIP3 H124435 1.418 -1.476 -1.472 6042TIP3 H224436 1.464 -1.507 -1.332 6043TIP3 OH224437 2.977 -1.502 -0.849 6043TIP3 H124438 3.048 -1.567 -0.836 6043TIP3 H224439 3.026 -1.422 -0.872 6044TIP3 OH224440 3.129 -1.697 -0.730 6044TIP3 H124441 3.047 -1.747 -0.751 6044TIP3 H224442 3.195 -1.769 -0.733 6045TIP3 OH224443 2.919 -2.095 -2.456 6045TIP3 H124444 2.975 -2.126 -2.382 6045TIP3 H224445 2.832 -2.131 -2.435 6046TIP3 OH224446 2.895 -1.951 -1.949 6046TIP3 H124447 2.920 -2.046 -1.939 6046TIP3 H224448 2.978 -1.915 -1.984 6047TIP3 OH224449 2.921 -1.887 -1.404 6047TIP3 H124450 3.018 -1.880 -1.403 6047TIP3 H224451 2.903 -1.888 -1.308 6048TIP3 OH224452 2.938 -1.818 -1.121 6048TIP3 H124453 2.852 -1.782 -1.095 6048TIP3 H224454 2.988 -1.738 -1.143 6049TIP3 OH224455 3.197 -2.402 -0.590 6049TIP3 H124456 3.233 -2.473 -0.648 6049TIP3 H224457 3.195 -2.327 -0.652 6050TIP3 OH224458 2.946 -2.231 -1.949 6050TIP3 H124459 2.959 -2.262 -1.857 6050TIP3 H224460 2.865 -2.279 -1.974 6051TIP3 OH224461 1.461 -2.107 -1.473 6051TIP3 H124462 1.504 -2.193 -1.463 6051TIP3 H224463 1.530 -2.047 -1.439 6052TIP3 OH224464 1.315 -1.825 -1.354 6052TIP3 H124465 1.372 -1.834 -1.431 6052TIP3 H224466 1.343 -1.737 -1.322 6053TIP3 OH224467 3.129 -2.200 -0.768 6053TIP3 H124468 3.041 -2.159 -0.765 6053TIP3 H224469 3.119 -2.255 -0.848 6054TIP3 OH224470 3.140 -2.172 -2.292 6054TIP3 H124471 3.172 -2.260 -2.320 6054TIP3 H224472 3.223 -2.128 -2.266 6055TIP3 OH224473 1.367 -2.211 -1.965 6055TIP3 H124474 1.272 -2.203 -1.985 6055TIP3 H224475 1.408 -2.149 -2.029 6056TIP3 OH224476 2.828 -0.668 -1.757 6056TIP3 H124477 2.877 -0.708 -1.831 6056TIP3 H224478 2.898 -0.650 -1.694 6057TIP3 OH224479 1.369 -2.326 -1.153 6057TIP3 H124480 1.305 -2.345 -1.083 6057TIP3 H224481 1.317 -2.268 -1.212 6058TIP3 OH224482 3.005 -2.376 -0.966 6058TIP3 H124483 2.933 -2.354 -1.028 6058TIP3 H224484 3.033 -2.464 -0.999 6059TIP3 OH224485 1.850 -0.692 -1.225 6059TIP3 H124486 1.829 -0.667 -1.136 6059TIP3 H224487 1.886 -0.611 -1.265 6060TIP3 OH224488 2.298 -0.635 -1.255 6060TIP3 H124489 2.281 -0.572 -1.326 6060TIP3 H224490 2.310 -0.576 -1.177 6061TIP3 OH224491 2.546 -0.766 -1.186 6061TIP3 H124492 2.456 -0.733 -1.202 6061TIP3 H224493 2.588 -0.684 -1.154 6062TIP3 OH224494 2.823 -0.595 -1.151 6062TIP3 H124495 2.788 -0.511 -1.182 6062TIP3 H224496 2.826 -0.647 -1.234 6063TIP3 OH224497 1.552 -0.769 -1.362 6063TIP3 H124498 1.572 -0.794 -1.271 6063TIP3 H224499 1.634 -0.794 -1.409 6064TIP3 OH224500 1.755 -0.857 -1.546 6064TIP3 H124501 1.743 -0.950 -1.520 6064TIP3 H224502 1.844 -0.837 -1.510 6065TIP3 OH224503 2.026 -0.815 -1.454 6065TIP3 H124504 2.050 -0.907 -1.474 6065TIP3 H224505 2.031 -0.817 -1.356 6066TIP3 OH224506 2.358 -2.226 -1.526 6066TIP3 H124507 2.290 -2.294 -1.510 6066TIP3 H224508 2.422 -2.273 -1.582 6067TIP3 OH224509 2.827 -2.385 -1.465 6067TIP3 H124510 2.915 -2.411 -1.497 6067TIP3 H224511 2.771 -2.394 -1.543 6068TIP3 OH224512 3.056 -2.314 -1.700 6068TIP3 H124513 3.134 -2.359 -1.735 6068TIP3 H224514 3.090 -2.226 -1.675 6069TIP3 OH224515 1.595 -2.356 -1.768 6069TIP3 H124516 1.509 -2.370 -1.812 6069TIP3 H224517 1.638 -2.442 -1.782 6070TIP3 OH224518 1.474 -2.405 -2.184 6070TIP3 H124519 1.528 -2.339 -2.232 6070TIP3 H224520 1.436 -2.352 -2.112 6071TIP3 OH224521 2.042 -2.375 -1.780 6071TIP3 H124522 2.132 -2.341 -1.794 6071TIP3 H224523 2.039 -2.381 -1.684 6072TIP3 OH224524 2.590 -2.366 -1.651 6072TIP3 H124525 2.627 -2.390 -1.737 6072TIP3 H224526 2.561 -2.453 -1.617 6073TIP3 OH224527 2.713 -2.370 -2.044 6073TIP3 H124528 2.632 -2.316 -2.050 6073TIP3 H224529 2.676 -2.458 -2.025 6074TIP3 OH224530 1.492 -0.805 -2.084 6074TIP3 H124531 1.414 -0.815 -2.139 6074TIP3 H224532 1.489 -0.711 -2.064 6075TIP3 OH224533 1.649 -2.228 -2.335 6075TIP3 H124534 1.711 -2.277 -2.391 6075TIP3 H224535 1.710 -2.190 -2.269 6076TIP3 OH224536 2.159 -2.207 -2.075 6076TIP3 H124537 2.193 -2.263 -2.004 6076TIP3 H224538 2.175 -2.119 -2.037 6077TIP3 OH224539 2.367 -0.627 -2.254 6077TIP3 H124540 2.464 -0.629 -2.258 6077TIP3 H224541 2.344 -0.693 -2.320 6078TIP3 OH224542 3.016 -0.726 -1.995 6078TIP3 H124543 2.987 -0.808 -2.039 6078TIP3 H224544 3.006 -0.661 -2.067 6079TIP3 OH224545 1.573 -2.331 -0.820 6079TIP3 H124546 1.539 -2.413 -0.780 6079TIP3 H224547 1.665 -2.332 -0.786 6080TIP3 OH224548 1.815 -2.394 -0.642 6080TIP3 H124549 1.897 -2.429 -0.682 6080TIP3 H224550 1.780 -2.473 -0.600 6081TIP3 OH224551 1.638 -0.714 -2.382 6081TIP3 H124552 1.616 -0.694 -2.290 6081TIP3 H224553 1.715 -0.772 -2.371 6082TIP3 OH224554 2.625 -2.484 -0.625 6082TIP3 H124555 2.630 -2.523 -0.535 6082TIP3 H224556 2.719 -2.485 -0.651 6083TIP3 OH224557 2.954 -0.849 -0.749 6083TIP3 H124558 2.884 -0.865 -0.816 6083TIP3 H224559 2.940 -0.753 -0.737 6084TIP3 OH224560 4.216 -1.576 -1.427 6084TIP3 H124561 4.293 -1.542 -1.377 6084TIP3 H224562 4.247 -1.571 -1.518 6085TIP3 OH224563 3.513 -1.578 -1.271 6085TIP3 H124564 3.509 -1.651 -1.208 6085TIP3 H224565 3.583 -1.523 -1.233 6086TIP3 OH224566 3.587 -1.115 -1.413 6086TIP3 H124567 3.559 -1.204 -1.441 6086TIP3 H224568 3.681 -1.131 -1.398 6087TIP3 OH224569 3.283 -1.774 -1.885 6087TIP3 H124570 3.243 -1.687 -1.865 6087TIP3 H224571 3.205 -1.824 -1.913 6088TIP3 OH224572 3.358 -1.529 -1.696 6088TIP3 H124573 3.372 -1.606 -1.637 6088TIP3 H224574 3.445 -1.519 -1.736 6089TIP3 OH224575 4.120 -1.287 -1.365 6089TIP3 H124576 4.145 -1.358 -1.426 6089TIP3 H224577 4.205 -1.263 -1.326 6090TIP3 OH224578 3.747 -2.051 -1.619 6090TIP3 H124579 3.758 -1.964 -1.664 6090TIP3 H224580 3.708 -2.103 -1.692 6091TIP3 OH224581 3.413 -1.779 -1.569 6091TIP3 H124582 3.473 -1.827 -1.510 6091TIP3 H224583 3.423 -1.829 -1.652 6092TIP3 OH224584 3.952 -1.643 -1.621 6092TIP3 H124585 4.026 -1.695 -1.585 6092TIP3 H224586 3.901 -1.712 -1.667 6093TIP3 OH224587 3.626 -2.171 -1.203 6093TIP3 H124588 3.585 -2.122 -1.276 6093TIP3 H224589 3.558 -2.162 -1.133 6094TIP3 OH224590 3.917 -1.390 -1.187 6094TIP3 H124591 3.843 -1.330 -1.163 6094TIP3 H224592 3.980 -1.330 -1.229 6095TIP3 OH224593 3.585 -1.969 -1.409 6095TIP3 H124594 3.648 -1.910 -1.364 6095TIP3 H224595 3.642 -2.006 -1.479 6096TIP3 OH224596 3.716 -1.197 -1.114 6096TIP3 H124597 3.712 -1.107 -1.151 6096TIP3 H224598 3.627 -1.202 -1.074 6097TIP3 OH224599 3.348 -1.227 -2.029 6097TIP3 H124600 3.328 -1.175 -2.108 6097TIP3 H224601 3.366 -1.158 -1.961 6098TIP3 OH224602 4.043 -2.426 -1.487 6098TIP3 H124603 4.014 -2.519 -1.490 6098TIP3 H224604 3.963 -2.382 -1.453 6099TIP3 OH224605 4.266 -1.548 -2.029 6099TIP3 H124606 4.200 -1.477 -2.037 6099TIP3 H224607 4.336 -1.513 -2.084 6100TIP3 OH224608 4.287 -1.700 -2.304 6100TIP3 H124609 4.372 -1.692 -2.257 6100TIP3 H224610 4.302 -1.772 -2.366 6101TIP3 OH224611 3.759 -1.454 -1.730 6101TIP3 H124612 3.729 -1.498 -1.812 6101TIP3 H224613 3.824 -1.518 -1.696 6102TIP3 OH224614 3.897 -1.115 -1.454 6102TIP3 H124615 3.888 -1.153 -1.542 6102TIP3 H224616 3.977 -1.160 -1.421 6103TIP3 OH224617 3.816 -1.574 -1.380 6103TIP3 H124618 3.875 -1.572 -1.459 6103TIP3 H224619 3.855 -1.505 -1.323 6104TIP3 OH224620 3.902 -1.137 -0.897 6104TIP3 H124621 3.849 -1.068 -0.854 6104TIP3 H224622 3.841 -1.165 -0.968 6105TIP3 OH224623 3.596 -1.504 -0.984 6105TIP3 H124624 3.599 -1.444 -0.908 6105TIP3 H224625 3.499 -1.512 -0.997 6106TIP3 OH224626 4.243 -0.928 -1.808 6106TIP3 H124627 4.299 -0.881 -1.745 6106TIP3 H224628 4.195 -0.857 -1.851 6107TIP3 OH224629 3.713 -0.923 -0.816 6107TIP3 H124630 3.702 -0.915 -0.912 6107TIP3 H224631 3.623 -0.946 -0.786 6108TIP3 OH224632 3.652 -1.579 -1.977 6108TIP3 H124633 3.630 -1.502 -2.033 6108TIP3 H224634 3.582 -1.641 -2.000 6109TIP3 OH224635 3.259 -1.307 -1.109 6109TIP3 H124636 3.210 -1.296 -1.193 6109TIP3 H224637 3.261 -1.403 -1.100 6110TIP3 OH224638 3.300 -0.999 -1.437 6110TIP3 H124639 3.373 -1.053 -1.402 6110TIP3 H224640 3.232 -1.009 -1.368 6111TIP3 OH224641 4.175 -1.039 -0.941 6111TIP3 H124642 4.179 -0.946 -0.913 6111TIP3 H224643 4.081 -1.062 -0.928 6112TIP3 OH224644 4.169 -0.641 -1.967 6112TIP3 H124645 4.223 -0.654 -2.045 6112TIP3 H224646 4.216 -0.570 -1.921 6113TIP3 OH224647 3.572 -0.738 -1.793 6113TIP3 H124648 3.590 -0.783 -1.708 6113TIP3 H224649 3.488 -0.779 -1.819 6114TIP3 OH224650 3.472 -1.156 -0.979 6114TIP3 H124651 3.500 -1.207 -0.901 6114TIP3 H224652 3.398 -1.208 -1.015 6115TIP3 OH224653 3.798 -2.308 -1.407 6115TIP3 H124654 3.714 -2.318 -1.455 6115TIP3 H224655 3.773 -2.237 -1.346 6116TIP3 OH224656 4.233 -2.373 -0.977 6116TIP3 H124657 4.244 -2.446 -0.914 6116TIP3 H224658 4.141 -2.389 -1.008 6117TIP3 OH224659 4.235 -2.095 -2.300 6117TIP3 H124660 4.167 -2.110 -2.233 6117TIP3 H224661 4.205 -2.156 -2.369 6118TIP3 OH224662 3.782 -1.828 -1.260 6118TIP3 H124663 3.715 -1.819 -1.190 6118TIP3 H224664 3.786 -1.737 -1.298 6119TIP3 OH224665 3.775 -1.822 -1.774 6119TIP3 H124666 3.678 -1.830 -1.788 6119TIP3 H224667 3.807 -1.840 -1.865 6120TIP3 OH224668 4.298 -1.804 -1.894 6120TIP3 H124669 4.268 -1.711 -1.895 6120TIP3 H224670 4.314 -1.819 -1.987 6121TIP3 OH224671 4.254 -1.738 -0.739 6121TIP3 H124672 4.194 -1.816 -0.729 6121TIP3 H224673 4.339 -1.787 -0.742 6122TIP3 OH224674 3.523 -1.814 -1.081 6122TIP3 H124675 3.537 -1.781 -0.991 6122TIP3 H224676 3.480 -1.900 -1.063 6123TIP3 OH224677 3.864 -2.051 -2.422 6123TIP3 H124678 3.824 -2.085 -2.340 6123TIP3 H224679 3.787 -2.037 -2.478 6124TIP3 OH224680 3.203 -2.062 -1.719 6124TIP3 H124681 3.258 -2.068 -1.638 6124TIP3 H224682 3.254 -2.112 -1.784 6125TIP3 OH224683 3.355 -2.026 -2.148 6125TIP3 H124684 3.414 -1.975 -2.208 6125TIP3 H224685 3.290 -1.957 -2.123 6126TIP3 OH224686 4.353 -1.689 -1.134 6126TIP3 H124687 4.379 -1.753 -1.204 6126TIP3 H224688 4.271 -1.729 -1.104 6127TIP3 OH224689 4.045 -2.088 -1.668 6127TIP3 H124690 3.952 -2.075 -1.645 6127TIP3 H224691 4.087 -2.059 -1.585 6128TIP3 OH224692 3.510 -1.939 -1.805 6128TIP3 H124693 3.427 -1.913 -1.848 6128TIP3 H224694 3.536 -2.020 -1.853 6129TIP3 OH224695 3.866 -1.910 -2.041 6129TIP3 H124696 3.962 -1.901 -2.030 6129TIP3 H224697 3.843 -1.844 -2.108 6130TIP3 OH224698 3.719 -1.782 -2.261 6130TIP3 H124699 3.661 -1.810 -2.333 6130TIP3 H224700 3.802 -1.765 -2.309 6131TIP3 OH224701 3.586 -1.310 -0.758 6131TIP3 H124702 3.648 -1.294 -0.685 6131TIP3 H224703 3.502 -1.312 -0.708 6132TIP3 OH224704 4.141 -1.852 -1.533 6132TIP3 H124705 4.223 -1.885 -1.572 6132TIP3 H224706 4.161 -1.857 -1.438 6133TIP3 OH224707 3.682 -2.168 -1.876 6133TIP3 H124708 3.625 -2.244 -1.856 6133TIP3 H224709 3.764 -2.210 -1.906 6134TIP3 OH224710 4.050 -1.973 -1.261 6134TIP3 H124711 3.978 -1.909 -1.275 6134TIP3 H224712 4.099 -1.933 -1.187 6135TIP3 OH224713 4.072 -1.342 -2.069 6135TIP3 H124714 3.993 -1.385 -2.106 6135TIP3 H224715 4.048 -1.329 -1.974 6136TIP3 OH224716 4.213 -1.337 -0.944 6136TIP3 H124717 4.180 -1.347 -0.854 6136TIP3 H224718 4.214 -1.241 -0.958 6137TIP3 OH224719 3.581 -1.384 -1.492 6137TIP3 H124720 3.636 -1.397 -1.571 6137TIP3 H224721 3.583 -1.471 -1.451 6138TIP3 OH224722 4.286 -1.201 -2.170 6138TIP3 H124723 4.261 -1.109 -2.146 6138TIP3 H224724 4.208 -1.250 -2.138 6139TIP3 OH224725 3.307 -1.558 -0.966 6139TIP3 H124726 3.316 -1.604 -0.880 6139TIP3 H224727 3.244 -1.613 -1.015 6140TIP3 OH224728 4.002 -1.606 -0.761 6140TIP3 H124729 3.961 -1.639 -0.843 6140TIP3 H224730 4.095 -1.633 -0.774 6141TIP3 OH224731 3.815 -1.057 -1.768 6141TIP3 H124732 3.858 -0.971 -1.780 6141TIP3 H224733 3.723 -1.036 -1.788 6142TIP3 OH224734 3.410 -1.564 -2.316 6142TIP3 H124735 3.470 -1.503 -2.270 6142TIP3 H224736 3.326 -1.547 -2.269 6143TIP3 OH224737 3.995 -1.289 -1.806 6143TIP3 H124738 3.971 -1.197 -1.791 6143TIP3 H224739 3.921 -1.336 -1.763 6144TIP3 OH224740 4.020 -0.857 -1.165 6144TIP3 H124741 4.076 -0.786 -1.201 6144TIP3 H224742 4.086 -0.910 -1.118 6145TIP3 OH224743 3.859 -0.767 -1.845 6145TIP3 H124744 3.764 -0.750 -1.836 6145TIP3 H224745 3.897 -0.680 -1.823 6146TIP3 OH224746 3.435 -2.091 -1.001 6146TIP3 H124747 3.345 -2.066 -1.031 6146TIP3 H224748 3.418 -2.181 -0.968 6147TIP3 OH224749 3.417 -0.913 -1.162 6147TIP3 H124750 3.436 -1.007 -1.149 6147TIP3 H224751 3.438 -0.877 -1.075 6148TIP3 OH224752 3.987 -1.047 -2.465 6148TIP3 H124753 4.033 -1.120 -2.511 6148TIP3 H224754 3.959 -1.092 -2.384 6149TIP3 OH224755 3.880 -1.106 -2.183 6149TIP3 H124756 3.936 -1.155 -2.121 6149TIP3 H224757 3.898 -1.013 -2.158 6150TIP3 OH224758 3.562 -1.357 -2.155 6150TIP3 H124759 3.493 -1.316 -2.099 6150TIP3 H224760 3.616 -1.279 -2.179 6151TIP3 OH224761 4.339 -2.064 -1.095 6151TIP3 H124762 4.380 -2.145 -1.063 6151TIP3 H224763 4.276 -2.098 -1.161 6152TIP3 OH224764 4.163 -0.942 -2.137 6152TIP3 H124765 4.090 -0.882 -2.116 6152TIP3 H224766 4.224 -0.885 -2.185 6153TIP3 OH224767 4.115 -1.995 -1.928 6153TIP3 H124768 4.188 -1.932 -1.905 6153TIP3 H224769 4.081 -2.012 -1.838 6154TIP3 OH224770 4.160 -1.883 -1.008 6154TIP3 H124771 4.185 -1.824 -0.936 6154TIP3 H224772 4.236 -1.944 -1.014 6155TIP3 OH224773 4.195 -2.271 -1.810 6155TIP3 H124774 4.165 -2.192 -1.759 6155TIP3 H224775 4.272 -2.234 -1.857 6156TIP3 OH224776 3.889 -0.830 -2.130 6156TIP3 H124777 3.891 -0.747 -2.182 6156TIP3 H224778 3.882 -0.797 -2.039 6157TIP3 OH224779 3.769 -2.161 -2.187 6157TIP3 H124780 3.768 -2.087 -2.123 6157TIP3 H224781 3.849 -2.210 -2.159 6158TIP3 OH224782 3.609 -1.073 -2.280 6158TIP3 H124783 3.680 -1.024 -2.236 6158TIP3 H224784 3.662 -1.126 -2.341 6159TIP3 OH224785 3.424 -1.855 -2.364 6159TIP3 H124786 3.440 -1.761 -2.345 6159TIP3 H224787 3.335 -1.854 -2.398 6160TIP3 OH224788 3.521 -2.356 -1.484 6160TIP3 H124789 3.493 -2.359 -1.577 6160TIP3 H224790 3.481 -2.439 -1.447 6161TIP3 OH224791 3.402 -1.009 -1.863 6161TIP3 H124792 3.332 -0.956 -1.824 6161TIP3 H224793 3.441 -0.948 -1.928 6162TIP3 OH224794 3.342 -0.707 -0.737 6162TIP3 H124795 3.389 -0.736 -0.657 6162TIP3 H224796 3.293 -0.786 -0.764 6163TIP3 OH224797 3.811 -0.813 -0.560 6163TIP3 H124798 3.885 -0.874 -0.548 6163TIP3 H224799 3.787 -0.830 -0.653 6164TIP3 OH224800 4.231 -0.881 -2.443 6164TIP3 H124801 4.153 -0.938 -2.432 6164TIP3 H224802 4.300 -0.950 -2.443 6165TIP3 OH224803 3.342 -1.349 -0.630 6165TIP3 H124804 3.350 -1.439 -0.667 6165TIP3 H224805 3.265 -1.317 -0.681 6166TIP3 OH224806 3.760 -1.308 -2.430 6166TIP3 H124807 3.782 -1.366 -2.355 6166TIP3 H224808 3.847 -1.307 -2.476 6167TIP3 OH224809 4.007 -1.330 -0.698 6167TIP3 H124810 3.978 -1.296 -0.785 6167TIP3 H224811 4.015 -1.426 -0.715 6168TIP3 OH224812 4.248 -1.170 -2.469 6168TIP3 H124813 4.288 -1.158 -2.381 6168TIP3 H224814 4.253 -1.266 -2.478 6169TIP3 OH224815 3.428 -1.632 -0.712 6169TIP3 H124816 3.496 -1.701 -0.711 6169TIP3 H224817 3.415 -1.617 -0.617 6170TIP3 OH224818 3.868 -1.500 -2.198 6170TIP3 H124819 3.809 -1.552 -2.142 6170TIP3 H224820 3.902 -1.568 -2.259 6171TIP3 OH224821 3.800 -1.714 -0.961 6171TIP3 H124822 3.736 -1.640 -0.954 6171TIP3 H224823 3.849 -1.690 -1.041 6172TIP3 OH224824 3.979 -1.702 -2.368 6172TIP3 H124825 3.971 -1.690 -2.464 6172TIP3 H224826 4.074 -1.686 -2.355 6173TIP3 OH224827 4.285 -1.469 -0.598 6173TIP3 H124828 4.352 -1.499 -0.660 6173TIP3 H224829 4.267 -1.553 -0.552 6174TIP3 OH224830 3.858 -1.991 -0.854 6174TIP3 H124831 3.861 -2.058 -0.924 6174TIP3 H224832 3.840 -1.910 -0.905 6175TIP3 OH224833 3.887 -2.148 -1.112 6175TIP3 H124834 3.935 -2.090 -1.175 6175TIP3 H224835 3.795 -2.145 -1.146 6176TIP3 OH224836 4.072 -1.607 -1.079 6176TIP3 H124837 4.135 -1.607 -1.152 6176TIP3 H224838 4.028 -1.522 -1.092 6177TIP3 OH224839 3.682 -1.813 -0.667 6177TIP3 H124840 3.622 -1.890 -0.676 6177TIP3 H224841 3.755 -1.839 -0.726 6178TIP3 OH224842 3.971 -2.410 -1.076 6178TIP3 H124843 3.947 -2.316 -1.093 6178TIP3 H224844 3.904 -2.456 -1.130 6179TIP3 OH224845 4.103 -1.963 -0.699 6179TIP3 H124846 4.061 -1.993 -0.617 6179TIP3 H224847 4.032 -1.984 -0.763 6180TIP3 OH224848 3.543 -2.063 -0.694 6180TIP3 H124849 3.530 -2.133 -0.761 6180TIP3 H224850 3.516 -2.111 -0.613 6181TIP3 OH224851 3.946 -2.463 -0.793 6181TIP3 H124852 4.005 -2.539 -0.791 6181TIP3 H224853 3.939 -2.447 -0.889 6182TIP3 OH224854 4.036 -2.282 -0.600 6182TIP3 H124855 4.009 -2.338 -0.675 6182TIP3 H224856 3.969 -2.211 -0.604 6183TIP3 OH224857 3.955 -0.576 -2.258 6183TIP3 H124858 4.052 -0.570 -2.249 6183TIP3 H224859 3.941 -0.534 -2.343 6184TIP3 OH224860 3.329 -1.137 -2.311 6184TIP3 H124861 3.425 -1.120 -2.295 6184TIP3 H224862 3.333 -1.213 -2.373 6185TIP3 OH224863 3.234 -0.615 -1.833 6185TIP3 H124864 3.161 -0.653 -1.885 6185TIP3 H224865 3.244 -0.683 -1.763 6186TIP3 OH224866 3.273 -0.812 -1.640 6186TIP3 H124867 3.251 -0.901 -1.605 6186TIP3 H224868 3.302 -0.775 -1.555 6187TIP3 OH224869 3.268 -1.478 -1.390 6187TIP3 H124870 3.282 -1.450 -1.481 6187TIP3 H224871 3.360 -1.482 -1.356 6188TIP3 OH224872 3.275 -1.942 -0.746 6188TIP3 H124873 3.366 -1.974 -0.755 6188TIP3 H224874 3.225 -2.026 -0.749 6189TIP3 OH224875 3.349 -2.111 -1.479 6189TIP3 H124876 3.391 -2.197 -1.463 6189TIP3 H224877 3.414 -2.051 -1.439 6190TIP3 OH224878 3.208 -1.846 -1.368 6190TIP3 H124879 3.262 -1.841 -1.449 6190TIP3 H224880 3.235 -1.766 -1.322 6191TIP3 OH224881 3.254 -2.217 -1.972 6191TIP3 H124882 3.158 -2.204 -1.980 6191TIP3 H224883 3.291 -2.147 -2.030 6192TIP3 OH224884 3.257 -2.307 -1.140 6192TIP3 H124885 3.191 -2.363 -1.098 6192TIP3 H224886 3.206 -2.273 -1.216 6193TIP3 OH224887 3.455 -1.013 -0.677 6193TIP3 H124888 3.386 -1.010 -0.746 6193TIP3 H224889 3.403 -1.011 -0.596 6194TIP3 OH224890 3.742 -0.911 -1.110 6194TIP3 H124891 3.707 -0.828 -1.149 6194TIP3 H224892 3.837 -0.900 -1.131 6195TIP3 OH224893 4.219 -0.749 -0.825 6195TIP3 H124894 4.205 -0.785 -0.736 6195TIP3 H224895 4.314 -0.726 -0.819 6196TIP3 OH224896 3.480 -0.614 -1.079 6196TIP3 H124897 3.417 -0.559 -1.128 6196TIP3 H224898 3.444 -0.606 -0.990 6197TIP3 OH224899 3.731 -0.637 -1.221 6197TIP3 H124900 3.643 -0.623 -1.180 6197TIP3 H224901 3.731 -0.571 -1.292 6198TIP3 OH224902 4.196 -0.662 -1.267 6198TIP3 H124903 4.178 -0.616 -1.351 6198TIP3 H224904 4.257 -0.603 -1.223 6199TIP3 OH224905 3.440 -0.729 -1.382 6199TIP3 H124906 3.426 -0.787 -1.304 6199TIP3 H224907 3.505 -0.784 -1.431 6200TIP3 OH224908 3.636 -0.863 -1.546 6200TIP3 H124909 3.617 -0.954 -1.515 6200TIP3 H224910 3.726 -0.848 -1.510 6201TIP3 OH224911 3.914 -0.812 -1.454 6201TIP3 H124912 3.934 -0.904 -1.477 6201TIP3 H224913 3.919 -0.817 -1.357 6202TIP3 OH224914 4.270 -2.266 -1.517 6202TIP3 H124915 4.182 -2.307 -1.507 6202TIP3 H224916 4.293 -2.294 -1.606 6203TIP3 OH224917 3.483 -2.354 -1.773 6203TIP3 H124918 3.394 -2.370 -1.812 6203TIP3 H224919 3.523 -2.443 -1.779 6204TIP3 OH224920 3.351 -2.401 -2.187 6204TIP3 H124921 3.412 -2.338 -2.229 6204TIP3 H224922 3.322 -2.352 -2.108 6205TIP3 OH224923 3.933 -2.374 -1.780 6205TIP3 H124924 4.025 -2.343 -1.786 6205TIP3 H224925 3.923 -2.381 -1.684 6206TIP3 OH224926 3.382 -0.810 -2.066 6206TIP3 H124927 3.315 -0.820 -2.136 6206TIP3 H224928 3.379 -0.715 -2.051 6207TIP3 OH224929 3.533 -2.225 -2.339 6207TIP3 H124930 3.596 -2.281 -2.387 6207TIP3 H224931 3.592 -2.190 -2.268 6208TIP3 OH224932 4.063 -2.211 -2.082 6208TIP3 H124933 4.062 -2.272 -2.007 6208TIP3 H224934 4.061 -2.125 -2.035 6209TIP3 OH224935 4.271 -0.621 -2.279 6209TIP3 H124936 4.364 -0.621 -2.249 6209TIP3 H224937 4.264 -0.706 -2.325 6210TIP3 OH224938 3.459 -2.328 -0.806 6210TIP3 H124939 3.419 -2.414 -0.781 6210TIP3 H224940 3.553 -2.346 -0.792 6211TIP3 OH224941 3.704 -2.392 -0.635 6211TIP3 H124942 3.783 -2.430 -0.679 6211TIP3 H224943 3.661 -2.472 -0.601 6212TIP3 OH224944 3.522 -0.718 -2.386 6212TIP3 H124945 3.500 -0.691 -2.295 6212TIP3 H224946 3.600 -0.774 -2.372 6213TIP3 OH224947 -3.161 0.403 -1.739 6213TIP3 H124948 -3.158 0.499 -1.729 6213TIP3 H224949 -3.235 0.390 -1.799 6214TIP3 OH224950 -3.281 0.349 -1.433 6214TIP3 H124951 -3.278 0.291 -1.356 6214TIP3 H224952 -3.303 0.287 -1.504 6215TIP3 OH224953 -4.028 0.308 -1.270 6215TIP3 H124954 -4.033 0.234 -1.207 6215TIP3 H224955 -3.959 0.362 -1.230 6216TIP3 OH224956 -2.910 0.614 -1.612 6216TIP3 H124957 -2.945 0.542 -1.559 6216TIP3 H224958 -2.883 0.677 -1.543 6217TIP3 OH224959 -3.960 0.770 -1.421 6217TIP3 H124960 -3.988 0.679 -1.446 6217TIP3 H224961 -3.867 0.754 -1.398 6218TIP3 OH224962 -4.221 0.146 -2.014 6218TIP3 H124963 -4.253 0.219 -1.960 6218TIP3 H224964 -4.288 0.078 -1.994 6219TIP3 OH224965 -4.206 0.344 -1.715 6219TIP3 H124966 -4.187 0.282 -1.642 6219TIP3 H224967 -4.120 0.386 -1.729 6220TIP3 OH224968 -3.198 1.161 -1.545 6220TIP3 H124969 -3.143 1.088 -1.578 6220TIP3 H224970 -3.229 1.125 -1.461 6221TIP3 OH224971 -3.425 0.601 -1.378 6221TIP3 H124972 -3.394 0.526 -1.433 6221TIP3 H224973 -3.344 0.616 -1.327 6222TIP3 OH224974 -3.095 0.034 -1.328 6222TIP3 H124975 -3.084 -0.062 -1.319 6222TIP3 H224976 -3.105 0.044 -1.424 6223TIP3 OH224977 -3.800 -0.167 -1.619 6223TIP3 H124978 -3.786 -0.082 -1.666 6223TIP3 H224979 -3.833 -0.222 -1.693 6224TIP3 OH224980 -3.015 -0.149 -1.788 6224TIP3 H124981 -2.955 -0.190 -1.722 6224TIP3 H224982 -2.952 -0.099 -1.842 6225TIP3 OH224983 -4.138 0.108 -1.567 6225TIP3 H124984 -4.080 0.067 -1.501 6225TIP3 H224985 -4.118 0.052 -1.645 6226TIP3 OH224986 -3.593 0.246 -1.622 6226TIP3 H124987 -3.522 0.191 -1.584 6226TIP3 H224988 -3.643 0.178 -1.672 6227TIP3 OH224989 -3.918 -0.283 -1.201 6227TIP3 H124990 -3.965 -0.244 -1.276 6227TIP3 H224991 -3.981 -0.266 -1.129 6228TIP3 OH224992 -3.166 0.694 -1.866 6228TIP3 H124993 -3.206 0.662 -1.947 6228TIP3 H224994 -3.217 0.775 -1.847 6229TIP3 OH224995 -3.625 0.501 -1.191 6229TIP3 H124996 -3.699 0.561 -1.165 6229TIP3 H224997 -3.563 0.563 -1.234 6230TIP3 OH224998 -2.825 -0.215 -1.572 6230TIP3 H124999 -2.874 -0.270 -1.509 6230TIP3 H225000 -2.775 -0.155 -1.514 6231TIP3 OH225001 -3.958 -0.077 -1.413 6231TIP3 H125002 -3.892 -0.023 -1.365 6231TIP3 H225003 -3.901 -0.117 -1.482 6232TIP3 OH225004 -3.828 0.687 -1.120 6232TIP3 H125005 -3.830 0.781 -1.148 6232TIP3 H225006 -3.915 0.680 -1.077 6233TIP3 OH225007 -4.182 0.654 -2.029 6233TIP3 H125008 -4.265 0.670 -2.079 6233TIP3 H225009 -4.192 0.712 -1.951 6234TIP3 OH225010 -2.857 0.799 -1.392 6234TIP3 H125011 -2.952 0.816 -1.378 6234TIP3 H225012 -2.825 0.890 -1.408 6235TIP3 OH225013 -2.790 -0.293 -1.215 6235TIP3 H125014 -2.877 -0.270 -1.250 6235TIP3 H225015 -2.731 -0.276 -1.290 6236TIP3 OH225016 -3.503 -0.539 -1.492 6236TIP3 H125017 -3.528 -0.633 -1.500 6236TIP3 H225018 -3.587 -0.500 -1.457 6237TIP3 OH225019 -3.022 0.998 -1.695 6237TIP3 H125020 -2.976 0.916 -1.724 6237TIP3 H225021 -2.954 1.065 -1.708 6238TIP3 OH225022 -2.876 0.787 -1.834 6238TIP3 H125023 -2.924 0.738 -1.903 6238TIP3 H225024 -2.880 0.721 -1.762 6239TIP3 OH225025 -2.773 0.678 -0.977 6239TIP3 H125026 -2.738 0.606 -1.032 6239TIP3 H225027 -2.716 0.752 -1.001 6240TIP3 OH225028 -3.295 0.359 -2.015 6240TIP3 H125029 -3.361 0.416 -2.059 6240TIP3 H225030 -3.223 0.358 -2.080 6241TIP3 OH225031 -3.260 0.173 -2.318 6241TIP3 H125032 -3.188 0.202 -2.260 6241TIP3 H225033 -3.217 0.105 -2.371 6242TIP3 OH225034 -2.592 0.287 -1.251 6242TIP3 H125035 -2.653 0.362 -1.237 6242TIP3 H225036 -2.514 0.332 -1.288 6243TIP3 OH225037 -2.947 0.356 -1.910 6243TIP3 H125038 -3.011 0.374 -1.838 6243TIP3 H225039 -2.878 0.305 -1.861 6244TIP3 OH225040 -2.954 0.204 -1.026 6244TIP3 H125041 -2.957 0.280 -0.966 6244TIP3 H225042 -3.014 0.236 -1.095 6245TIP3 OH225043 -3.781 0.435 -1.732 6245TIP3 H125044 -3.815 0.389 -1.812 6245TIP3 H225045 -3.719 0.370 -1.696 6246TIP3 OH225046 -3.645 0.776 -1.457 6246TIP3 H125047 -3.658 0.734 -1.543 6246TIP3 H225048 -3.567 0.728 -1.424 6247TIP3 OH225049 -3.729 0.319 -1.384 6247TIP3 H125050 -3.669 0.318 -1.461 6247TIP3 H225051 -3.686 0.382 -1.323 6248TIP3 OH225052 -3.138 0.871 -1.322 6248TIP3 H125053 -3.127 0.932 -1.248 6248TIP3 H225054 -3.155 0.785 -1.278 6249TIP3 OH225055 -3.640 0.749 -0.900 6249TIP3 H125056 -3.693 0.810 -0.846 6249TIP3 H225057 -3.706 0.720 -0.966 6250TIP3 OH225058 -3.050 0.303 -2.163 6250TIP3 H125059 -3.001 0.325 -2.080 6250TIP3 H225060 -2.997 0.354 -2.230 6251TIP3 OH225061 -3.956 0.384 -0.983 6251TIP3 H125062 -3.948 0.443 -0.906 6251TIP3 H225063 -4.053 0.377 -0.991 6252TIP3 OH225064 -3.302 0.963 -1.808 6252TIP3 H125065 -3.256 0.988 -1.727 6252TIP3 H225066 -3.354 1.042 -1.830 6253TIP3 OH225067 -3.836 0.969 -0.814 6253TIP3 H125068 -3.842 0.966 -0.911 6253TIP3 H225069 -3.926 0.945 -0.785 6254TIP3 OH225070 -2.701 -0.530 -2.210 6254TIP3 H125071 -2.790 -0.518 -2.174 6254TIP3 H225072 -2.673 -0.437 -2.223 6255TIP3 OH225073 -3.892 0.308 -1.977 6255TIP3 H125074 -3.917 0.383 -2.033 6255TIP3 H225075 -3.959 0.242 -2.002 6256TIP3 OH225076 -2.567 0.889 -2.360 6256TIP3 H125077 -2.551 0.982 -2.334 6256TIP3 H225078 -2.480 0.848 -2.342 6257TIP3 OH225079 -4.272 0.591 -1.125 6257TIP3 H125080 -4.287 0.555 -1.214 6257TIP3 H225081 -4.303 0.517 -1.070 6258TIP3 OH225082 -4.280 0.874 -1.429 6258TIP3 H125083 -4.199 0.826 -1.410 6258TIP3 H225084 -4.299 0.917 -1.345 6259TIP3 OH225085 -3.378 0.852 -0.956 6259TIP3 H125086 -3.371 0.933 -0.902 6259TIP3 H225087 -3.468 0.821 -0.931 6260TIP3 OH225088 -3.353 1.235 -1.956 6260TIP3 H125089 -3.349 1.242 -2.053 6260TIP3 H225090 -3.342 1.327 -1.927 6261TIP3 OH225091 -3.978 1.147 -1.792 6261TIP3 H125092 -3.953 1.105 -1.707 6261TIP3 H225093 -4.056 1.092 -1.814 6262TIP3 OH225094 -3.020 1.175 -2.241 6262TIP3 H125095 -2.961 1.110 -2.284 6262TIP3 H225096 -3.025 1.139 -2.150 6263TIP3 OH225097 -3.080 1.119 -1.958 6263TIP3 H125098 -3.176 1.128 -1.943 6263TIP3 H225099 -3.061 1.046 -1.898 6264TIP3 OH225100 -2.765 0.071 -0.772 6264TIP3 H125101 -2.791 0.105 -0.858 6264TIP3 H225102 -2.723 -0.013 -0.797 6265TIP3 OH225103 -4.071 0.730 -0.977 6265TIP3 H125104 -4.042 0.674 -0.902 6265TIP3 H225105 -4.146 0.679 -1.015 6266TIP3 OH225106 -3.747 -0.423 -1.403 6266TIP3 H125107 -3.829 -0.432 -1.455 6266TIP3 H225108 -3.772 -0.350 -1.345 6267TIP3 OH225109 -3.311 -0.464 -1.040 6267TIP3 H125110 -3.259 -0.516 -0.975 6267TIP3 H225111 -3.401 -0.498 -1.027 6268TIP3 OH225112 -2.978 -0.091 -0.986 6268TIP3 H125113 -3.035 -0.109 -0.909 6268TIP3 H225114 -2.988 0.005 -0.999 6269TIP3 OH225115 -2.891 0.419 -2.355 6269TIP3 H125116 -2.914 0.395 -2.448 6269TIP3 H225117 -2.795 0.429 -2.364 6270TIP3 OH225118 -3.342 -0.208 -2.312 6270TIP3 H125119 -3.381 -0.234 -2.226 6270TIP3 H225120 -3.372 -0.282 -2.368 6271TIP3 OH225121 -3.761 0.056 -1.264 6271TIP3 H125122 -3.818 0.067 -1.186 6271TIP3 H225123 -3.756 0.148 -1.298 6272TIP3 OH225124 -3.770 0.063 -1.775 6272TIP3 H125125 -3.866 0.054 -1.793 6272TIP3 H225126 -3.734 0.044 -1.864 6273TIP3 OH225127 -3.208 0.120 -1.895 6273TIP3 H125128 -3.248 0.202 -1.931 6273TIP3 H225129 -3.136 0.105 -1.959 6274TIP3 OH225130 -3.287 0.140 -0.760 6274TIP3 H125131 -3.338 0.064 -0.726 6274TIP3 H225132 -3.199 0.124 -0.721 6275TIP3 OH225133 -3.119 0.060 -1.617 6275TIP3 H125134 -3.148 0.119 -1.690 6275TIP3 H225135 -3.099 -0.021 -1.670 6276TIP3 OH225136 -4.028 0.074 -1.078 6276TIP3 H125137 -3.995 0.108 -0.994 6276TIP3 H225138 -4.052 -0.016 -1.054 6277TIP3 OH225139 -3.692 -0.155 -2.415 6277TIP3 H125140 -3.724 -0.202 -2.335 6277TIP3 H225141 -3.766 -0.166 -2.476 6278TIP3 OH225142 -4.313 -0.163 -1.717 6278TIP3 H125143 -4.307 -0.200 -1.627 6278TIP3 H225144 -4.288 -0.237 -1.773 6279TIP3 OH225145 -4.205 -0.122 -2.132 6279TIP3 H125146 -4.146 -0.102 -2.206 6279TIP3 H225147 -4.290 -0.086 -2.158 6280TIP3 OH225148 -3.209 0.228 -1.171 6280TIP3 H125149 -3.165 0.155 -1.221 6280TIP3 H225150 -3.242 0.180 -1.094 6281TIP3 OH225151 -3.490 -0.177 -1.671 6281TIP3 H125152 -3.584 -0.184 -1.650 6281TIP3 H225153 -3.449 -0.197 -1.585 6282TIP3 OH225154 -4.038 -0.049 -1.813 6282TIP3 H125155 -4.120 -0.048 -1.864 6282TIP3 H225156 -4.001 -0.135 -1.841 6283TIP3 OH225157 -3.671 -0.018 -2.033 6283TIP3 H125158 -3.574 -0.017 -2.028 6283TIP3 H225159 -3.691 0.042 -2.107 6284TIP3 OH225160 -3.044 -0.269 -1.365 6284TIP3 H125161 -3.106 -0.265 -1.290 6284TIP3 H225162 -3.103 -0.302 -1.434 6285TIP3 OH225163 -3.829 0.112 -2.262 6285TIP3 H125164 -3.880 0.066 -2.331 6285TIP3 H225165 -3.743 0.124 -2.306 6286TIP3 OH225166 -2.738 1.308 -0.716 6286TIP3 H125167 -2.709 1.343 -0.802 6286TIP3 H225168 -2.674 1.346 -0.655 6287TIP3 OH225169 -3.956 0.578 -0.764 6287TIP3 H125170 -3.890 0.579 -0.691 6287TIP3 H225171 -4.037 0.589 -0.710 6288TIP3 OH225172 -3.389 0.076 -1.489 6288TIP3 H125173 -3.316 0.033 -1.536 6288TIP3 H225174 -3.405 0.015 -1.415 6289TIP3 OH225175 -3.873 -0.290 -1.862 6289TIP3 H125176 -3.924 -0.372 -1.870 6289TIP3 H225177 -3.793 -0.312 -1.912 6290TIP3 OH225178 -3.490 -0.078 -1.265 6290TIP3 H125179 -3.568 -0.020 -1.264 6290TIP3 H225180 -3.442 -0.052 -1.183 6291TIP3 OH225181 -3.482 0.566 -2.077 6291TIP3 H125182 -3.556 0.511 -2.110 6291TIP3 H225183 -3.497 0.567 -1.979 6292TIP3 OH225184 -2.780 0.497 -1.206 6292TIP3 H125185 -2.722 0.551 -1.263 6292TIP3 H225186 -2.856 0.480 -1.264 6293TIP3 OH225187 -3.072 -0.147 -2.293 6293TIP3 H125188 -3.169 -0.143 -2.302 6293TIP3 H225189 -3.049 -0.070 -2.238 6294TIP3 OH225190 -3.313 0.564 -0.944 6294TIP3 H125191 -3.344 0.530 -0.859 6294TIP3 H225192 -3.346 0.655 -0.942 6295TIP3 OH225193 -2.990 0.030 -2.084 6295TIP3 H125194 -2.900 0.011 -2.051 6295TIP3 H225195 -2.977 0.112 -2.133 6296TIP3 OH225196 -3.977 0.492 -1.505 6296TIP3 H125197 -3.908 0.484 -1.574 6296TIP3 H225198 -3.962 0.412 -1.452 6297TIP3 OH225199 -3.239 0.700 -2.186 6297TIP3 H125200 -3.263 0.783 -2.141 6297TIP3 H225201 -3.310 0.641 -2.156 6298TIP3 OH225202 -4.240 0.346 -0.939 6298TIP3 H125203 -4.231 0.282 -0.867 6298TIP3 H225204 -4.288 0.293 -1.007 6299TIP3 OH225205 -3.540 0.279 -0.768 6299TIP3 H125206 -3.575 0.253 -0.855 6299TIP3 H225207 -3.447 0.251 -0.776 6300TIP3 OH225208 -3.079 0.843 -0.999 6300TIP3 H125209 -3.175 0.836 -1.006 6300TIP3 H225210 -3.066 0.846 -0.903 6301TIP3 OH225211 -2.708 0.891 -2.103 6301TIP3 H125212 -2.747 0.814 -2.057 6301TIP3 H225213 -2.663 0.849 -2.178 6302TIP3 OH225214 -2.988 0.414 -1.385 6302TIP3 H125215 -3.082 0.396 -1.403 6302TIP3 H225216 -2.945 0.337 -1.426 6303TIP3 OH225217 -3.727 0.829 -1.768 6303TIP3 H125218 -3.685 0.916 -1.778 6303TIP3 H225219 -3.819 0.848 -1.789 6304TIP3 OH225220 -4.151 0.330 -2.302 6304TIP3 H125221 -4.079 0.382 -2.261 6304TIP3 H225222 -4.227 0.382 -2.275 6305TIP3 OH225223 -3.542 0.600 -1.805 6305TIP3 H125224 -3.576 0.690 -1.790 6305TIP3 H225225 -3.611 0.546 -1.763 6306TIP3 OH225226 -3.526 1.026 -1.169 6306TIP3 H125227 -3.468 1.098 -1.197 6306TIP3 H225228 -3.467 0.973 -1.114 6307TIP3 OH225229 -3.681 1.120 -1.848 6307TIP3 H125230 -3.777 1.132 -1.837 6307TIP3 H225231 -3.647 1.207 -1.822 6308TIP3 OH225232 -3.179 0.599 -1.211 6308TIP3 H125233 -3.213 0.568 -1.125 6308TIP3 H225234 -3.107 0.536 -1.228 6309TIP3 OH225235 -2.968 0.737 -2.316 6309TIP3 H125236 -2.924 0.682 -2.248 6309TIP3 H225237 -3.060 0.716 -2.293 6310TIP3 OH225238 -2.900 1.073 -0.931 6310TIP3 H125239 -2.956 1.010 -0.979 6310TIP3 H225240 -2.860 1.126 -1.001 6311TIP3 OH225241 -2.493 1.156 -2.267 6311TIP3 H125242 -2.425 1.222 -2.289 6311TIP3 H225243 -2.571 1.213 -2.266 6312TIP3 OH225244 -4.101 -0.198 -1.002 6312TIP3 H125245 -4.187 -0.161 -1.027 6312TIP3 H225246 -4.123 -0.284 -0.962 6313TIP3 OH225247 -2.852 0.596 -2.076 6313TIP3 H125248 -2.895 0.522 -2.032 6313TIP3 H225249 -2.758 0.577 -2.055 6314TIP3 OH225250 -4.128 0.972 -1.160 6314TIP3 H125251 -4.109 0.877 -1.150 6314TIP3 H225252 -4.096 1.004 -1.074 6315TIP3 OH225253 -3.546 0.834 -2.465 6315TIP3 H125254 -3.516 0.754 -2.512 6315TIP3 H225255 -3.588 0.794 -2.386 6316TIP3 OH225256 -3.664 0.786 -2.191 6316TIP3 H125257 -3.612 0.730 -2.131 6316TIP3 H225258 -3.647 0.876 -2.156 6317TIP3 OH225259 -3.988 0.528 -2.159 6317TIP3 H125260 -4.057 0.568 -2.102 6317TIP3 H225261 -3.934 0.606 -2.177 6318TIP3 OH225262 -3.203 -0.219 -1.146 6318TIP3 H125263 -3.142 -0.198 -1.073 6318TIP3 H225264 -3.257 -0.291 -1.108 6319TIP3 OH225265 -3.145 -0.275 -2.032 6319TIP3 H125266 -3.123 -0.223 -2.111 6319TIP3 H225267 -3.099 -0.226 -1.962 6320TIP3 OH225268 -3.364 0.953 -2.128 6320TIP3 H125269 -3.448 0.999 -2.112 6320TIP3 H225270 -3.331 0.996 -2.208 6321TIP3 OH225271 -3.407 -0.079 -1.929 6321TIP3 H125272 -3.330 -0.020 -1.916 6321TIP3 H225273 -3.434 -0.096 -1.837 6322TIP3 OH225274 -3.369 0.011 -1.014 6322TIP3 H125275 -3.363 0.062 -0.932 6322TIP3 H225276 -3.313 -0.066 -0.993 6323TIP3 OH225277 -3.342 -0.377 -1.834 6323TIP3 H125278 -3.365 -0.307 -1.770 6323TIP3 H225279 -3.272 -0.334 -1.887 6324TIP3 OH225280 -3.644 1.057 -2.129 6324TIP3 H125281 -3.652 1.140 -2.181 6324TIP3 H225282 -3.658 1.089 -2.038 6325TIP3 OH225283 -3.771 -0.275 -2.177 6325TIP3 H125284 -3.763 -0.198 -2.119 6325TIP3 H225285 -3.693 -0.327 -2.152 6326TIP3 OH225286 -2.705 -0.225 -0.917 6326TIP3 H125287 -2.799 -0.202 -0.925 6326TIP3 H225288 -2.676 -0.214 -1.008 6327TIP3 OH225289 -2.877 0.183 -1.519 6327TIP3 H125290 -2.957 0.140 -1.552 6327TIP3 H225291 -2.828 0.109 -1.479 6328TIP3 OH225292 -3.929 0.821 -2.281 6328TIP3 H125293 -3.851 0.856 -2.234 6328TIP3 H225294 -3.886 0.757 -2.339 6329TIP3 OH225295 -4.110 0.038 -2.392 6329TIP3 H125296 -4.103 0.116 -2.336 6329TIP3 H225297 -4.200 0.006 -2.381 6330TIP3 OH225298 -2.782 1.085 -1.401 6330TIP3 H125299 -2.790 1.177 -1.434 6330TIP3 H225300 -2.701 1.087 -1.349 6331TIP3 OH225301 -4.026 -0.476 -1.484 6331TIP3 H125302 -4.056 -0.478 -1.576 6331TIP3 H225303 -4.069 -0.556 -1.447 6332TIP3 OH225304 -4.135 0.894 -1.858 6332TIP3 H125305 -4.227 0.923 -1.852 6332TIP3 H225306 -4.106 0.931 -1.942 6333TIP3 OH225307 -4.214 1.168 -0.739 6333TIP3 H125308 -4.152 1.169 -0.664 6333TIP3 H225309 -4.214 1.071 -0.753 6334TIP3 OH225310 -3.715 1.089 -0.568 6334TIP3 H125311 -3.661 1.014 -0.537 6334TIP3 H225312 -3.747 1.054 -0.653 6335TIP3 OH225313 -3.324 1.005 -2.414 6335TIP3 H125314 -3.399 0.942 -2.422 6335TIP3 H225315 -3.252 0.949 -2.447 6336TIP3 OH225316 -3.094 0.913 -0.700 6336TIP3 H125317 -3.123 0.826 -0.667 6336TIP3 H225318 -3.008 0.925 -0.656 6337TIP3 OH225319 -2.858 0.997 -2.402 6337TIP3 H125320 -2.851 0.913 -2.353 6337TIP3 H225321 -2.777 0.995 -2.457 6338TIP3 OH225322 -4.201 0.577 -0.674 6338TIP3 H125323 -4.185 0.484 -0.696 6338TIP3 H225324 -4.290 0.592 -0.708 6339TIP3 OH225325 -3.781 0.576 -2.430 6339TIP3 H125326 -3.764 0.517 -2.355 6339TIP3 H225327 -3.694 0.572 -2.476 6340TIP3 OH225328 -3.528 0.556 -0.700 6340TIP3 H125329 -3.570 0.587 -0.782 6340TIP3 H225330 -3.530 0.459 -0.711 6341TIP3 OH225331 -3.258 0.712 -2.468 6341TIP3 H125332 -3.260 0.706 -2.370 6341TIP3 H225333 -3.259 0.616 -2.490 6342TIP3 OH225334 -3.002 0.519 -0.953 6342TIP3 H125335 -2.928 0.578 -0.979 6342TIP3 H225336 -3.076 0.582 -0.953 6343TIP3 OH225337 -4.136 0.243 -0.695 6343TIP3 H125338 -4.056 0.189 -0.709 6343TIP3 H225339 -4.120 0.276 -0.605 6344TIP3 OH225340 -3.674 0.389 -2.197 6344TIP3 H125341 -3.733 0.336 -2.141 6344TIP3 H225342 -3.641 0.321 -2.259 6345TIP3 OH225343 -3.751 0.162 -0.972 6345TIP3 H125344 -3.803 0.242 -0.950 6345TIP3 H225345 -3.684 0.199 -1.033 6346TIP3 OH225346 -3.570 0.192 -2.367 6346TIP3 H125347 -3.575 0.191 -2.464 6346TIP3 H225348 -3.474 0.182 -2.353 6347TIP3 OH225349 -3.214 0.434 -0.615 6347TIP3 H125350 -3.125 0.415 -0.644 6347TIP3 H225351 -3.242 0.349 -0.579 6348TIP3 OH225352 -2.618 0.442 -2.438 6348TIP3 H125353 -2.636 0.385 -2.514 6348TIP3 H225354 -2.638 0.531 -2.472 6349TIP3 OH225355 -3.692 -0.109 -0.856 6349TIP3 H125356 -3.683 -0.174 -0.928 6349TIP3 H225357 -3.711 -0.027 -0.906 6350TIP3 OH225358 -3.657 -0.261 -1.110 6350TIP3 H125359 -3.605 -0.209 -1.175 6350TIP3 H225360 -3.747 -0.258 -1.147 6351TIP3 OH225361 -3.501 0.283 -1.072 6351TIP3 H125362 -3.417 0.275 -1.119 6351TIP3 H225363 -3.532 0.371 -1.102 6352TIP3 OH225364 -3.039 0.079 -0.596 6352TIP3 H125365 -3.020 -0.015 -0.581 6352TIP3 H225366 -2.948 0.112 -0.610 6353TIP3 OH225367 -2.915 0.362 -0.749 6353TIP3 H125368 -2.954 0.422 -0.817 6353TIP3 H225369 -2.830 0.341 -0.788 6354TIP3 OH225370 -3.882 0.083 -0.683 6354TIP3 H125371 -3.931 -0.001 -0.679 6354TIP3 H225372 -3.797 0.054 -0.720 6355TIP3 OH225373 -3.586 -0.529 -1.076 6355TIP3 H125374 -3.602 -0.433 -1.093 6355TIP3 H225375 -3.656 -0.570 -1.130 6356TIP3 OH225376 -3.457 -0.072 -0.697 6356TIP3 H125377 -3.492 -0.092 -0.609 6356TIP3 H225378 -3.537 -0.091 -0.751 6357TIP3 OH225379 -3.203 -0.168 -0.812 6357TIP3 H125380 -3.290 -0.163 -0.770 6357TIP3 H225381 -3.155 -0.228 -0.751 6358TIP3 OH225382 -3.016 -0.313 -0.638 6358TIP3 H125383 -3.028 -0.408 -0.622 6358TIP3 H225384 -3.031 -0.273 -0.550 6359TIP3 OH225385 -4.016 -0.174 -0.694 6359TIP3 H125386 -4.015 -0.247 -0.758 6359TIP3 H225387 -4.032 -0.220 -0.610 6360TIP3 OH225388 -3.603 -0.579 -0.795 6360TIP3 H125389 -3.541 -0.654 -0.790 6360TIP3 H225390 -3.605 -0.563 -0.891 6361TIP3 OH225391 -3.508 -0.395 -0.606 6361TIP3 H125392 -3.539 -0.452 -0.679 6361TIP3 H225393 -3.574 -0.325 -0.604 6362TIP3 OH225394 -3.600 1.315 -2.259 6362TIP3 H125395 -3.504 1.322 -2.248 6362TIP3 H225396 -3.611 1.355 -2.346 6363TIP3 OH225397 -4.197 0.804 -2.358 6363TIP3 H125398 -4.125 0.798 -2.292 6363TIP3 H225399 -4.220 0.711 -2.371 6364TIP3 OH225400 -4.273 1.080 -1.639 6364TIP3 H125401 -4.275 0.991 -1.600 6364TIP3 H225402 -4.243 1.130 -1.562 6365TIP3 OH225403 -2.450 1.197 -1.371 6365TIP3 H125404 -2.496 1.194 -1.287 6365TIP3 H225405 -2.406 1.283 -1.364 6366TIP3 OH225406 -2.731 0.724 -0.603 6366TIP3 H125407 -2.805 0.702 -0.543 6366TIP3 H225408 -2.658 0.751 -0.547 6367TIP3 OH225409 -2.581 0.539 -2.004 6367TIP3 H125410 -2.491 0.573 -1.989 6367TIP3 H225411 -2.587 0.464 -1.943 6368TIP3 OH225412 -2.562 0.615 -1.341 6368TIP3 H125413 -2.486 0.566 -1.377 6368TIP3 H225414 -2.551 0.703 -1.378 6369TIP3 OH225415 -2.750 0.909 -1.148 6369TIP3 H125416 -2.812 0.913 -1.074 6369TIP3 H225417 -2.794 0.848 -1.209 6370TIP3 OH225418 -2.535 0.307 -2.179 6370TIP3 H125419 -2.571 0.333 -2.265 6370TIP3 H225420 -2.526 0.391 -2.133 6371TIP3 OH225421 -2.609 0.039 -2.335 6371TIP3 H125422 -2.647 0.114 -2.382 6371TIP3 H225423 -2.670 -0.031 -2.363 6372TIP3 OH225424 -2.741 0.218 -1.782 6372TIP3 H125425 -2.714 0.126 -1.795 6372TIP3 H225426 -2.754 0.223 -1.686 6373TIP3 OH225427 -4.254 0.438 -1.365 6373TIP3 H125428 -4.224 0.456 -1.455 6373TIP3 H225429 -4.175 0.395 -1.327 6374TIP3 OH225430 -2.747 -0.053 -1.943 6374TIP3 H125431 -2.725 -0.149 -1.952 6374TIP3 H225432 -2.675 -0.013 -1.992 6375TIP3 OH225433 -2.697 -0.018 -1.402 6375TIP3 H125434 -2.610 0.024 -1.411 6375TIP3 H225435 -2.711 -0.011 -1.306 6376TIP3 OH225436 -2.685 0.060 -1.098 6376TIP3 H125437 -2.780 0.075 -1.086 6376TIP3 H225438 -2.656 0.141 -1.145 6377TIP3 OH225439 -4.285 -0.069 -0.760 6377TIP3 H125440 -4.195 -0.107 -0.759 6377TIP3 H225441 -4.342 -0.146 -0.742 6378TIP3 OH225442 -2.701 -0.322 -1.973 6378TIP3 H125443 -2.679 -0.366 -1.889 6378TIP3 H225444 -2.776 -0.376 -2.003 6379TIP3 OH225445 -4.196 -0.215 -1.437 6379TIP3 H125446 -4.162 -0.305 -1.448 6379TIP3 H225447 -4.114 -0.163 -1.427 6380TIP3 OH225448 -4.331 0.048 -1.357 6380TIP3 H125449 -4.296 -0.009 -1.427 6380TIP3 H225450 -4.307 0.135 -1.389 6381TIP3 OH225451 -2.534 -0.288 -2.293 6381TIP3 H125452 -2.496 -0.366 -2.335 6381TIP3 H225453 -2.457 -0.239 -2.263 6382TIP3 OH225454 -4.323 -0.326 -1.985 6382TIP3 H125455 -4.396 -0.309 -2.045 6382TIP3 H225456 -4.247 -0.305 -2.042 6383TIP3 OH225457 -2.829 1.213 -1.757 6383TIP3 H125458 -2.781 1.178 -1.834 6383TIP3 H225459 -2.756 1.237 -1.698 6384TIP3 OH225460 -4.291 -0.443 -1.170 6384TIP3 H125461 -4.360 -0.452 -1.100 6384TIP3 H225462 -4.335 -0.397 -1.243 6385TIP3 OH225463 -4.121 0.913 -0.706 6385TIP3 H125464 -4.165 0.843 -0.757 6385TIP3 H225465 -4.128 0.876 -0.615 6386TIP3 OH225466 -3.802 0.973 -1.113 6386TIP3 H125467 -3.833 1.058 -1.151 6386TIP3 H225468 -3.706 0.982 -1.130 6387TIP3 OH225469 -3.354 1.110 -0.812 6387TIP3 H125470 -3.338 1.083 -0.721 6387TIP3 H225471 -3.267 1.147 -0.838 6388TIP3 OH225472 -3.118 1.248 -0.884 6388TIP3 H125473 -3.047 1.184 -0.906 6388TIP3 H225474 -3.085 1.282 -0.799 6389TIP3 OH225475 -4.068 1.283 -1.089 6389TIP3 H125476 -4.140 1.328 -1.137 6389TIP3 H225477 -4.102 1.283 -0.999 6390TIP3 OH225478 -3.817 1.248 -1.223 6390TIP3 H125479 -3.905 1.264 -1.182 6390TIP3 H225480 -3.816 1.314 -1.295 6391TIP3 OH225481 -3.339 1.245 -1.269 6391TIP3 H125482 -3.378 1.289 -1.346 6391TIP3 H225483 -3.332 1.318 -1.205 6392TIP3 OH225484 -3.100 1.118 -1.179 6392TIP3 H125485 -3.187 1.150 -1.209 6392TIP3 H225486 -3.052 1.201 -1.168 6393TIP3 OH225487 -2.835 1.292 -1.146 6393TIP3 H125488 -2.852 1.384 -1.173 6393TIP3 H225489 -2.833 1.247 -1.231 6394TIP3 OH225490 -4.123 1.156 -1.390 6394TIP3 H125491 -4.134 1.109 -1.305 6394TIP3 H225492 -4.050 1.106 -1.429 6395TIP3 OH225493 -3.909 1.028 -1.541 6395TIP3 H125494 -3.927 0.935 -1.514 6395TIP3 H225495 -3.819 1.041 -1.506 6396TIP3 OH225496 -3.629 1.070 -1.454 6396TIP3 H125497 -3.612 0.977 -1.476 6396TIP3 H225498 -3.623 1.066 -1.357 6397TIP3 OH225499 -3.296 -0.341 -1.521 6397TIP3 H125500 -3.365 -0.408 -1.507 6397TIP3 H225501 -3.236 -0.385 -1.583 6398TIP3 OH225502 -2.800 -0.541 -1.470 6398TIP3 H125503 -2.734 -0.495 -1.523 6398TIP3 H225504 -2.882 -0.517 -1.516 6399TIP3 OH225505 -2.630 -0.440 -1.699 6399TIP3 H125506 -2.552 -0.486 -1.733 6399TIP3 H225507 -2.594 -0.356 -1.667 6400TIP3 OH225508 -4.111 -0.485 -1.762 6400TIP3 H125509 -4.168 -0.498 -1.840 6400TIP3 H225510 -4.043 -0.551 -1.780 6401TIP3 OH225511 -3.613 -0.483 -1.780 6401TIP3 H125512 -3.520 -0.458 -1.791 6401TIP3 H225513 -3.618 -0.498 -1.685 6402TIP3 OH225514 -3.052 -0.484 -1.637 6402TIP3 H125515 -3.030 -0.495 -1.730 6402TIP3 H225516 -3.095 -0.569 -1.616 6403TIP3 OH225517 -2.941 -0.481 -2.039 6403TIP3 H125518 -3.023 -0.430 -2.056 6403TIP3 H225519 -2.977 -0.571 -2.027 6404TIP3 OH225520 -4.186 1.079 -2.086 6404TIP3 H125521 -4.252 1.061 -2.154 6404TIP3 H225522 -4.183 1.175 -2.085 6405TIP3 OH225523 -4.002 -0.321 -2.347 6405TIP3 H125524 -3.965 -0.406 -2.375 6405TIP3 H225525 -3.965 -0.317 -2.257 6406TIP3 OH225526 -3.496 -0.319 -2.075 6406TIP3 H125527 -3.466 -0.378 -2.004 6406TIP3 H225528 -3.476 -0.233 -2.034 6407TIP3 OH225529 -3.294 1.260 -2.255 6407TIP3 H125530 -3.197 1.258 -2.256 6407TIP3 H225531 -3.314 1.191 -2.320 6408TIP3 OH225532 -2.640 1.161 -1.992 6408TIP3 H125533 -2.664 1.075 -2.033 6408TIP3 H225534 -2.648 1.221 -2.067 6409TIP3 OH225535 -4.079 -0.444 -0.817 6409TIP3 H125536 -4.124 -0.520 -0.776 6409TIP3 H225537 -3.988 -0.459 -0.788 6410TIP3 OH225538 -3.846 -0.507 -0.643 6410TIP3 H125539 -3.762 -0.539 -0.681 6410TIP3 H225540 -3.876 -0.586 -0.597 6411TIP3 OH225541 -4.011 1.179 -2.386 6411TIP3 H125542 -4.043 1.194 -2.296 6411TIP3 H225543 -3.943 1.111 -2.372 6412TIP3 OH225544 -3.019 -0.594 -0.626 6412TIP3 H125545 -3.016 -0.634 -0.537 6412TIP3 H225546 -2.925 -0.597 -0.652 6413TIP3 OH225547 -1.333 1.161 -1.562 6413TIP3 H125548 -1.263 1.097 -1.586 6413TIP3 H225549 -1.356 1.138 -1.470 6414TIP3 OH225550 -1.114 -0.143 -1.792 6414TIP3 H125551 -1.070 -0.172 -1.710 6414TIP3 H225552 -1.056 -0.073 -1.824 6415TIP3 OH225553 -2.319 0.653 -2.030 6415TIP3 H125554 -2.338 0.701 -2.113 6415TIP3 H225555 -2.299 0.725 -1.967 6416TIP3 OH225556 -1.134 0.997 -1.675 6416TIP3 H125557 -1.089 0.915 -1.706 6416TIP3 H225558 -1.068 1.064 -1.703 6417TIP3 OH225559 -1.011 0.775 -1.828 6417TIP3 H125560 -1.051 0.707 -1.883 6417TIP3 H225561 -0.975 0.724 -1.753 6418TIP3 OH225562 -1.379 0.186 -2.311 6418TIP3 H125563 -1.321 0.216 -2.239 6418TIP3 H225564 -1.321 0.126 -2.361 6419TIP3 OH225565 -1.170 0.305 -2.143 6419TIP3 H125566 -1.109 0.302 -2.069 6419TIP3 H225567 -1.120 0.356 -2.211 6420TIP3 OH225568 -1.391 0.987 -1.826 6420TIP3 H125569 -1.361 0.984 -1.735 6420TIP3 H225570 -1.471 1.041 -1.824 6421TIP3 OH225571 -0.820 -0.526 -2.209 6421TIP3 H125572 -0.905 -0.513 -2.163 6421TIP3 H225573 -0.782 -0.437 -2.205 6422TIP3 OH225574 -0.681 0.890 -2.357 6422TIP3 H125575 -0.662 0.983 -2.333 6422TIP3 H225576 -0.594 0.848 -2.342 6423TIP3 OH225577 -2.372 0.887 -1.411 6423TIP3 H125578 -2.315 0.819 -1.374 6423TIP3 H225579 -2.411 0.928 -1.333 6424TIP3 OH225580 -1.487 1.240 -1.963 6424TIP3 H125581 -1.457 1.248 -2.053 6424TIP3 H225582 -1.461 1.324 -1.922 6425TIP3 OH225583 -2.078 1.140 -1.773 6425TIP3 H125584 -2.074 1.091 -1.690 6425TIP3 H225585 -2.161 1.106 -1.810 6426TIP3 OH225586 -1.143 1.169 -2.244 6426TIP3 H125587 -1.077 1.108 -2.284 6426TIP3 H225588 -1.137 1.143 -2.150 6427TIP3 OH225589 -1.191 1.127 -1.963 6427TIP3 H125590 -1.284 1.121 -1.934 6427TIP3 H225591 -1.159 1.049 -1.914 6428TIP3 OH225592 -1.017 0.401 -2.351 6428TIP3 H125593 -1.033 0.381 -2.445 6428TIP3 H225594 -0.921 0.417 -2.352 6429TIP3 OH225595 -1.441 -0.214 -2.309 6429TIP3 H125596 -1.493 -0.227 -2.228 6429TIP3 H225597 -1.480 -0.281 -2.367 6430TIP3 OH225598 -1.802 -0.181 -2.417 6430TIP3 H125599 -1.840 -0.214 -2.333 6430TIP3 H225600 -1.881 -0.156 -2.467 6431TIP3 OH225601 -2.332 -0.140 -2.134 6431TIP3 H125602 -2.269 -0.095 -2.192 6431TIP3 H225603 -2.406 -0.079 -2.132 6432TIP3 OH225604 -1.932 0.086 -2.231 6432TIP3 H125605 -1.990 0.068 -2.306 6432TIP3 H225606 -1.850 0.111 -2.276 6433TIP3 OH225607 -1.175 -0.151 -2.274 6433TIP3 H125608 -1.273 -0.159 -2.284 6433TIP3 H225609 -1.164 -0.074 -2.217 6434TIP3 OH225610 -1.086 0.041 -2.043 6434TIP3 H125611 -0.994 0.013 -2.051 6434TIP3 H225612 -1.098 0.106 -2.113 6435TIP3 OH225613 -1.370 0.686 -2.183 6435TIP3 H125614 -1.389 0.761 -2.124 6435TIP3 H225615 -1.415 0.613 -2.138 6436TIP3 OH225616 -0.839 0.886 -2.106 6436TIP3 H125617 -0.864 0.810 -2.052 6436TIP3 H225618 -0.775 0.849 -2.168 6437TIP3 OH225619 -2.244 0.327 -2.316 6437TIP3 H125620 -2.181 0.362 -2.252 6437TIP3 H225621 -2.327 0.329 -2.265 6438TIP3 OH225622 -1.791 1.098 -1.849 6438TIP3 H125623 -1.884 1.106 -1.826 6438TIP3 H225624 -1.754 1.182 -1.818 6439TIP3 OH225625 -1.084 0.725 -2.301 6439TIP3 H125626 -1.038 0.675 -2.231 6439TIP3 H225627 -1.176 0.700 -2.282 6440TIP3 OH225628 -0.606 1.152 -2.263 6440TIP3 H125629 -0.533 1.213 -2.283 6440TIP3 H225630 -0.680 1.214 -2.269 6441TIP3 OH225631 -0.950 0.572 -2.060 6441TIP3 H125632 -0.996 0.504 -2.009 6441TIP3 H225633 -0.862 0.570 -2.020 6442TIP3 OH225634 -1.662 0.835 -2.465 6442TIP3 H125635 -1.634 0.756 -2.515 6442TIP3 H225636 -1.691 0.792 -2.382 6443TIP3 OH225637 -1.751 0.777 -2.194 6443TIP3 H125638 -1.703 0.731 -2.125 6443TIP3 H225639 -1.740 0.871 -2.167 6444TIP3 OH225640 -2.053 0.539 -2.106 6444TIP3 H125641 -2.145 0.545 -2.078 6444TIP3 H225642 -2.052 0.587 -2.189 6445TIP3 OH225643 -1.266 -0.283 -1.998 6445TIP3 H125644 -1.245 -0.226 -2.073 6445TIP3 H225645 -1.228 -0.233 -1.923 6446TIP3 OH225646 -1.490 0.945 -2.137 6446TIP3 H125647 -1.566 1.003 -2.118 6446TIP3 H225648 -1.433 0.999 -2.191 6447TIP3 OH225649 -1.759 1.054 -2.130 6447TIP3 H125650 -1.772 1.137 -2.180 6447TIP3 H225651 -1.774 1.082 -2.037 6448TIP3 OH225652 -1.892 -0.259 -2.164 6448TIP3 H125653 -1.888 -0.174 -2.118 6448TIP3 H225654 -1.817 -0.306 -2.124 6449TIP3 OH225655 -2.039 0.804 -2.271 6449TIP3 H125656 -1.969 0.860 -2.236 6449TIP3 H225657 -1.988 0.748 -2.331 6450TIP3 OH225658 -2.233 0.029 -2.361 6450TIP3 H125659 -2.227 0.121 -2.331 6450TIP3 H225660 -2.324 0.024 -2.393 6451TIP3 OH225661 -2.247 0.886 -1.855 6451TIP3 H125662 -2.331 0.929 -1.841 6451TIP3 H225663 -2.212 0.935 -1.930 6452TIP3 OH225664 -1.443 1.036 -2.453 6452TIP3 H125665 -1.513 0.967 -2.443 6452TIP3 H225666 -1.369 0.977 -2.480 6453TIP3 OH225667 -0.975 0.993 -2.401 6453TIP3 H125668 -0.960 0.914 -2.347 6453TIP3 H225669 -0.894 0.994 -2.456 6454TIP3 OH225670 -1.896 0.576 -2.417 6454TIP3 H125671 -1.875 0.509 -2.349 6454TIP3 H225672 -1.813 0.573 -2.469 6455TIP3 OH225673 -1.374 0.715 -2.457 6455TIP3 H125674 -1.380 0.706 -2.360 6455TIP3 H225675 -1.377 0.621 -2.483 6456TIP3 OH225676 -1.788 0.400 -2.188 6456TIP3 H125677 -1.830 0.344 -2.121 6456TIP3 H225678 -1.744 0.332 -2.243 6457TIP3 OH225679 -1.686 0.197 -2.364 6457TIP3 H125680 -1.693 0.196 -2.461 6457TIP3 H225681 -1.589 0.189 -2.351 6458TIP3 OH225682 -0.747 0.428 -2.410 6458TIP3 H125683 -0.727 0.376 -2.489 6458TIP3 H225684 -0.728 0.518 -2.439 6459TIP3 OH225685 -1.569 0.335 -1.099 6459TIP3 H125686 -1.486 0.305 -1.137 6459TIP3 H225687 -1.635 0.304 -1.162 6460TIP3 OH225688 -1.674 -0.516 -0.840 6460TIP3 H125689 -1.693 -0.451 -0.910 6460TIP3 H225690 -1.625 -0.582 -0.890 6461TIP3 OH225691 -1.648 -0.426 -0.581 6461TIP3 H125692 -1.641 -0.460 -0.672 6461TIP3 H225693 -1.660 -0.332 -0.590 6462TIP3 OH225694 -1.714 1.325 -2.280 6462TIP3 H125695 -1.619 1.332 -2.266 6462TIP3 H225696 -1.732 1.382 -2.355 6463TIP3 OH225697 -2.321 0.752 -2.310 6463TIP3 H125698 -2.226 0.766 -2.294 6463TIP3 H225699 -2.322 0.673 -2.368 6464TIP3 OH225700 -2.412 1.272 -1.829 6464TIP3 H125701 -2.485 1.233 -1.882 6464TIP3 H225702 -2.401 1.205 -1.759 6465TIP3 OH225703 -2.362 1.087 -1.619 6465TIP3 H125704 -2.389 0.995 -1.598 6465TIP3 H225705 -2.384 1.128 -1.533 6466TIP3 OH225706 -0.636 1.191 -1.351 6466TIP3 H125707 -0.652 1.189 -1.256 6466TIP3 H225708 -0.571 1.261 -1.360 6467TIP3 OH225709 -0.794 0.075 -2.343 6467TIP3 H125710 -0.761 0.129 -2.416 6467TIP3 H225711 -0.804 -0.013 -2.384 6468TIP3 OH225712 -2.338 0.425 -1.410 6468TIP3 H125713 -2.324 0.371 -1.489 6468TIP3 H225714 -2.274 0.383 -1.349 6469TIP3 OH225715 -0.854 -0.189 -2.445 6469TIP3 H125716 -0.790 -0.234 -2.385 6469TIP3 H225717 -0.933 -0.245 -2.440 6470TIP3 OH225718 -0.818 -0.313 -1.928 6470TIP3 H125719 -0.817 -0.345 -1.837 6470TIP3 H225720 -0.900 -0.351 -1.962 6471TIP3 OH225721 -0.635 -0.291 -2.301 6471TIP3 H125722 -0.594 -0.376 -2.322 6471TIP3 H225723 -0.562 -0.244 -2.257 6472TIP3 OH225724 -0.945 1.214 -1.757 6472TIP3 H125725 -0.895 1.180 -1.834 6472TIP3 H225726 -0.873 1.235 -1.696 6473TIP3 OH225727 -1.449 1.246 -1.273 6473TIP3 H125728 -1.499 1.301 -1.335 6473TIP3 H225729 -1.443 1.299 -1.193 6474TIP3 OH225730 -2.309 -0.507 -2.176 6474TIP3 H125731 -2.250 -0.445 -2.222 6474TIP3 H225732 -2.349 -0.448 -2.110 6475TIP3 OH225733 -1.053 -0.477 -2.049 6475TIP3 H125734 -1.135 -0.425 -2.045 6475TIP3 H225735 -1.085 -0.564 -2.020 6476TIP3 OH225736 -2.273 1.075 -2.065 6476TIP3 H125737 -2.339 1.062 -2.135 6476TIP3 H225738 -2.280 1.171 -2.053 6477TIP3 OH225739 -2.116 -0.331 -2.325 6477TIP3 H125740 -2.056 -0.389 -2.375 6477TIP3 H225741 -2.058 -0.303 -2.251 6478TIP3 OH225742 -1.604 -0.290 -2.066 6478TIP3 H125743 -1.595 -0.363 -2.003 6478TIP3 H225744 -1.606 -0.214 -2.008 6479TIP3 OH225745 -1.405 1.263 -2.304 6479TIP3 H125746 -1.314 1.256 -2.266 6479TIP3 H225747 -1.425 1.169 -2.319 6480TIP3 OH225748 -0.757 1.163 -1.991 6480TIP3 H125749 -0.778 1.077 -2.033 6480TIP3 H225750 -0.756 1.222 -2.068 6481TIP3 OH225751 -2.127 1.178 -2.383 6481TIP3 H125752 -2.161 1.197 -2.295 6481TIP3 H225753 -2.060 1.111 -2.366 6482TIP3 OH225754 -0.458 0.671 -2.024 6482TIP3 H125755 -0.477 0.693 -2.116 6482TIP3 H225756 -0.447 0.757 -1.983 6483TIP3 OH225757 0.748 1.008 -1.700 6483TIP3 H125758 0.796 0.929 -1.729 6483TIP3 H225759 0.799 1.081 -1.737 6484TIP3 OH225760 0.881 0.777 -1.842 6484TIP3 H125761 0.823 0.716 -1.890 6484TIP3 H225762 0.886 0.738 -1.753 6485TIP3 OH225763 0.447 0.324 -2.026 6485TIP3 H125764 0.410 0.412 -2.005 6485TIP3 H225765 0.541 0.339 -2.021 6486TIP3 OH225766 0.769 0.421 -1.924 6486TIP3 H125767 0.700 0.412 -1.856 6486TIP3 H225768 0.822 0.343 -1.907 6487TIP3 OH225769 0.703 0.267 -2.207 6487TIP3 H125770 0.716 0.296 -2.117 6487TIP3 H225771 0.750 0.336 -2.259 6488TIP3 OH225772 0.486 0.976 -1.824 6488TIP3 H125773 0.520 0.968 -1.735 6488TIP3 H225774 0.419 1.045 -1.820 6489TIP3 OH225775 1.204 0.890 -2.358 6489TIP3 H125776 1.225 0.983 -2.334 6489TIP3 H225777 1.288 0.846 -2.338 6490TIP3 OH225778 0.402 1.239 -1.958 6490TIP3 H125779 0.422 1.239 -2.053 6490TIP3 H225780 0.427 1.329 -1.930 6491TIP3 OH225781 0.746 1.194 -2.285 6491TIP3 H125782 0.802 1.122 -2.320 6491TIP3 H225783 0.750 1.175 -2.190 6492TIP3 OH225784 0.689 1.131 -1.979 6492TIP3 H125785 0.594 1.130 -1.956 6492TIP3 H225786 0.715 1.054 -1.927 6493TIP3 OH225787 0.877 0.425 -2.359 6493TIP3 H125788 0.861 0.394 -2.450 6493TIP3 H225789 0.974 0.428 -2.356 6494TIP3 OH225790 -0.440 -0.119 -2.149 6494TIP3 H125791 -0.378 -0.070 -2.206 6494TIP3 H225792 -0.497 -0.048 -2.116 6495TIP3 OH225793 0.273 0.545 -2.057 6495TIP3 H125794 0.203 0.479 -2.062 6495TIP3 H225795 0.284 0.558 -1.961 6496TIP3 OH225796 0.714 -0.162 -2.287 6496TIP3 H125797 0.621 -0.173 -2.262 6496TIP3 H225798 0.740 -0.091 -2.226 6497TIP3 OH225799 0.822 0.032 -2.055 6497TIP3 H125800 0.911 0.016 -2.085 6497TIP3 H225801 0.784 0.093 -2.119 6498TIP3 OH225802 0.534 0.698 -2.181 6498TIP3 H125803 0.514 0.774 -2.124 6498TIP3 H225804 0.477 0.631 -2.139 6499TIP3 OH225805 1.061 0.891 -2.095 6499TIP3 H125806 1.014 0.812 -2.061 6499TIP3 H225807 1.106 0.855 -2.173 6500TIP3 OH225808 -0.375 0.328 -2.312 6500TIP3 H125809 -0.310 0.365 -2.250 6500TIP3 H225810 -0.455 0.332 -2.255 6501TIP3 OH225811 0.035 1.101 -1.824 6501TIP3 H125812 -0.031 1.158 -1.863 6501TIP3 H225813 0.105 1.165 -1.800 6502TIP3 OH225814 0.801 0.737 -2.312 6502TIP3 H125815 0.848 0.681 -2.248 6502TIP3 H225816 0.709 0.717 -2.286 6503TIP3 OH225817 1.291 1.147 -2.268 6503TIP3 H125818 1.359 1.214 -2.289 6503TIP3 H225819 1.213 1.206 -2.265 6504TIP3 OH225820 0.966 0.600 -2.080 6504TIP3 H125821 0.898 0.542 -2.044 6504TIP3 H225822 1.045 0.571 -2.032 6505TIP3 OH225823 0.225 0.831 -2.465 6505TIP3 H125824 0.253 0.750 -2.512 6505TIP3 H225825 0.189 0.793 -2.383 6506TIP3 OH225826 0.119 0.784 -2.188 6506TIP3 H125827 0.168 0.726 -2.127 6506TIP3 H225828 0.134 0.872 -2.150 6507TIP3 OH225829 -0.196 0.521 -2.126 6507TIP3 H125830 -0.281 0.542 -2.086 6507TIP3 H225831 -0.172 0.599 -2.177 6508TIP3 OH225832 0.406 0.958 -2.132 6508TIP3 H125833 0.322 1.002 -2.116 6508TIP3 H225834 0.441 1.001 -2.211 6509TIP3 OH225835 0.116 1.057 -2.123 6509TIP3 H125836 0.116 1.139 -2.176 6509TIP3 H225837 0.118 1.090 -2.032 6510TIP3 OH225838 -0.160 0.804 -2.272 6510TIP3 H125839 -0.086 0.854 -2.232 6510TIP3 H225840 -0.108 0.749 -2.333 6511TIP3 OH225841 -0.343 0.037 -2.364 6511TIP3 H125842 -0.337 0.131 -2.339 6511TIP3 H225843 -0.433 0.029 -2.397 6512TIP3 OH225844 0.446 1.007 -2.425 6512TIP3 H125845 0.370 0.944 -2.425 6512TIP3 H225846 0.517 0.946 -2.448 6513TIP3 OH225847 0.915 0.994 -2.412 6513TIP3 H125848 0.919 0.915 -2.355 6513TIP3 H225849 1.001 0.991 -2.457 6514TIP3 OH225850 -0.010 0.570 -2.424 6514TIP3 H125851 0.003 0.496 -2.364 6514TIP3 H225852 0.076 0.572 -2.470 6515TIP3 OH225853 0.515 0.710 -2.464 6515TIP3 H125854 0.509 0.703 -2.366 6515TIP3 H225855 0.509 0.614 -2.486 6516TIP3 OH225856 1.154 0.429 -2.410 6516TIP3 H125857 1.157 0.378 -2.492 6516TIP3 H225858 1.154 0.521 -2.441 6517TIP3 OH225859 0.172 1.312 -2.258 6517TIP3 H125860 0.268 1.322 -2.247 6517TIP3 H225861 0.159 1.360 -2.341 6518TIP3 OH225862 -0.438 0.750 -2.308 6518TIP3 H125863 -0.342 0.767 -2.293 6518TIP3 H225864 -0.435 0.671 -2.367 6519TIP3 OH225865 -0.535 1.266 -1.820 6519TIP3 H125866 -0.606 1.231 -1.877 6519TIP3 H225867 -0.522 1.192 -1.757 6520TIP3 OH225868 -0.467 1.062 -1.617 6520TIP3 H125869 -0.521 0.981 -1.610 6520TIP3 H225870 -0.477 1.095 -1.527 6521TIP3 OH225871 1.063 0.082 -2.376 6521TIP3 H125872 1.115 0.133 -2.438 6521TIP3 H225873 1.069 -0.009 -2.411 6522TIP3 OH225874 1.046 -0.207 -2.427 6522TIP3 H125875 1.088 -0.267 -2.365 6522TIP3 H225876 0.958 -0.245 -2.439 6523TIP3 OH225877 -0.538 -0.348 -2.005 6523TIP3 H125878 -0.622 -0.309 -1.974 6523TIP3 H225879 -0.485 -0.271 -2.030 6524TIP3 OH225880 0.938 1.229 -1.814 6524TIP3 H125881 1.008 1.197 -1.874 6524TIP3 H225882 0.974 1.211 -1.727 6525TIP3 OH225883 0.928 1.313 -1.143 6525TIP3 H125884 0.915 1.402 -1.179 6525TIP3 H225885 0.901 1.252 -1.213 6526TIP3 OH225886 0.872 -0.489 -2.033 6526TIP3 H125887 0.799 -0.427 -2.047 6526TIP3 H225888 0.831 -0.572 -2.063 6527TIP3 OH225889 -0.387 1.061 -2.042 6527TIP3 H125890 -0.446 1.042 -2.116 6527TIP3 H225891 -0.396 1.157 -2.036 6528TIP3 OH225892 -0.227 -0.329 -2.322 6528TIP3 H125893 -0.171 -0.399 -2.356 6528TIP3 H225894 -0.172 -0.285 -2.257 6529TIP3 OH225895 0.473 1.259 -2.257 6529TIP3 H125896 0.570 1.258 -2.264 6529TIP3 H225897 0.451 1.189 -2.320 6530TIP3 OH225898 1.145 1.157 -1.987 6530TIP3 H125899 1.117 1.073 -2.030 6530TIP3 H225900 1.131 1.221 -2.059 6531TIP3 OH225901 -0.249 1.170 -2.382 6531TIP3 H125902 -0.269 1.199 -2.292 6531TIP3 H225903 -0.172 1.112 -2.369 6532TIP3 OH225904 2.496 0.402 -1.742 6532TIP3 H125905 2.495 0.498 -1.727 6532TIP3 H225906 2.422 0.391 -1.804 6533TIP3 OH225907 2.388 0.341 -1.426 6533TIP3 H125908 2.375 0.287 -1.347 6533TIP3 H225909 2.357 0.281 -1.496 6534TIP3 OH225910 2.749 0.625 -1.601 6534TIP3 H125911 2.714 0.552 -1.549 6534TIP3 H225912 2.778 0.685 -1.530 6535TIP3 OH225913 2.455 1.157 -1.551 6535TIP3 H125914 2.515 1.084 -1.576 6535TIP3 H225915 2.426 1.129 -1.463 6536TIP3 OH225916 2.225 0.595 -1.392 6536TIP3 H125917 2.273 0.517 -1.424 6536TIP3 H225918 2.277 0.615 -1.313 6537TIP3 OH225919 3.097 -0.243 -1.317 6537TIP3 H125920 3.118 -0.187 -1.241 6537TIP3 H225921 3.165 -0.218 -1.381 6538TIP3 OH225922 2.556 0.033 -1.325 6538TIP3 H125923 2.571 -0.064 -1.323 6538TIP3 H225924 2.543 0.048 -1.420 6539TIP3 OH225925 2.643 -0.149 -1.788 6539TIP3 H125926 2.698 -0.191 -1.718 6539TIP3 H225927 2.711 -0.103 -1.839 6540TIP3 OH225928 3.164 -0.094 -1.041 6540TIP3 H125929 3.097 -0.032 -1.074 6540TIP3 H225930 3.119 -0.128 -0.962 6541TIP3 OH225931 2.485 0.688 -1.863 6541TIP3 H125932 2.459 0.667 -1.953 6541TIP3 H225933 2.444 0.775 -1.847 6542TIP3 OH225934 2.825 -0.221 -1.582 6542TIP3 H125935 2.791 -0.290 -1.523 6542TIP3 H225936 2.877 -0.166 -1.520 6543TIP3 OH225937 1.839 0.707 -1.109 6543TIP3 H125938 1.820 0.794 -1.146 6543TIP3 H225939 1.757 0.681 -1.066 6544TIP3 OH225940 1.455 0.676 -2.019 6544TIP3 H125941 1.410 0.688 -2.103 6544TIP3 H225942 1.446 0.762 -1.977 6545TIP3 OH225943 2.808 0.807 -1.352 6545TIP3 H125944 2.711 0.813 -1.346 6545TIP3 H225945 2.830 0.895 -1.387 6546TIP3 OH225946 2.835 -0.279 -1.192 6546TIP3 H125947 2.756 -0.271 -1.249 6546TIP3 H225948 2.906 -0.292 -1.257 6547TIP3 OH225949 2.141 -0.528 -1.496 6547TIP3 H125950 2.136 -0.625 -1.496 6547TIP3 H225951 2.062 -0.505 -1.444 6548TIP3 OH225952 2.636 0.997 -1.701 6548TIP3 H125953 2.686 0.917 -1.726 6548TIP3 H225954 2.705 1.065 -1.706 6549TIP3 OH225955 2.782 0.783 -1.835 6549TIP3 H125956 2.731 0.734 -1.901 6549TIP3 H225957 2.777 0.721 -1.759 6550TIP3 OH225958 2.971 0.663 -0.994 6550TIP3 H125959 2.934 0.590 -1.047 6550TIP3 H225960 2.933 0.740 -1.038 6551TIP3 OH225961 2.362 0.365 -2.012 6551TIP3 H125962 2.293 0.405 -2.068 6551TIP3 H225963 2.436 0.358 -2.075 6552TIP3 OH225964 2.390 0.181 -2.313 6552TIP3 H125965 2.461 0.207 -2.251 6552TIP3 H225966 2.438 0.116 -2.368 6553TIP3 OH225967 2.713 0.357 -1.907 6553TIP3 H125968 2.645 0.376 -1.839 6553TIP3 H225969 2.774 0.300 -1.856 6554TIP3 OH225970 2.011 0.780 -1.489 6554TIP3 H125971 2.010 0.692 -1.526 6554TIP3 H225972 2.060 0.758 -1.407 6555TIP3 OH225973 2.525 0.865 -1.329 6555TIP3 H125974 2.533 0.934 -1.261 6555TIP3 H225975 2.503 0.785 -1.278 6556TIP3 OH225976 2.605 0.305 -2.161 6556TIP3 H125977 2.654 0.328 -2.080 6556TIP3 H225978 2.657 0.355 -2.229 6557TIP3 OH225979 2.350 0.962 -1.808 6557TIP3 H125980 2.401 0.983 -1.728 6557TIP3 H225981 2.308 1.047 -1.828 6558TIP3 OH225982 2.951 -0.525 -2.214 6558TIP3 H125983 2.863 -0.515 -2.173 6558TIP3 H225984 2.986 -0.435 -2.206 6559TIP3 OH225985 3.090 0.889 -2.360 6559TIP3 H125986 3.106 0.982 -2.335 6559TIP3 H225987 3.176 0.848 -2.341 6560TIP3 OH225988 2.300 1.231 -1.960 6560TIP3 H125989 2.311 1.246 -2.056 6560TIP3 H225990 2.308 1.321 -1.923 6561TIP3 OH225991 1.680 1.100 -1.803 6561TIP3 H125992 1.687 1.079 -1.707 6561TIP3 H225993 1.589 1.077 -1.824 6562TIP3 OH225994 2.637 1.175 -2.240 6562TIP3 H125995 2.696 1.110 -2.283 6562TIP3 H225996 2.633 1.140 -2.149 6563TIP3 OH225997 2.577 1.118 -1.960 6563TIP3 H125998 2.483 1.130 -1.940 6563TIP3 H225999 2.599 1.050 -1.894 6564TIP3 OH226000 1.892 -0.443 -1.361 6564TIP3 H126001 1.813 -0.463 -1.414 6564TIP3 H226002 1.879 -0.350 -1.339 6565TIP3 OH226003 2.763 0.412 -2.361 6565TIP3 H126004 2.742 0.391 -2.454 6565TIP3 H226005 2.858 0.433 -2.368 6566TIP3 OH226006 2.327 -0.213 -2.312 6566TIP3 H126007 2.278 -0.228 -2.229 6566TIP3 H226008 2.286 -0.282 -2.368 6567TIP3 OH226009 2.440 0.115 -1.898 6567TIP3 H126010 2.402 0.197 -1.933 6567TIP3 H226011 2.511 0.096 -1.961 6568TIP3 OH226012 2.524 0.063 -1.613 6568TIP3 H126013 2.497 0.118 -1.690 6568TIP3 H226014 2.545 -0.020 -1.660 6569TIP3 OH226015 1.971 -0.187 -2.419 6569TIP3 H126016 1.935 -0.211 -2.332 6569TIP3 H226017 1.893 -0.157 -2.466 6570TIP3 OH226018 2.467 0.238 -1.143 6570TIP3 H126019 2.516 0.168 -1.191 6570TIP3 H226020 2.458 0.204 -1.054 6571TIP3 OH226021 2.598 -0.259 -1.365 6571TIP3 H126022 2.535 -0.270 -1.290 6571TIP3 H226023 2.544 -0.294 -1.438 6572TIP3 OH226024 1.850 0.091 -2.257 6572TIP3 H126025 1.789 0.065 -2.327 6572TIP3 H226026 1.934 0.106 -2.305 6573TIP3 OH226027 2.897 1.297 -0.697 6573TIP3 H126028 2.903 1.339 -0.783 6573TIP3 H226029 2.963 1.342 -0.644 6574TIP3 OH226030 2.246 0.071 -1.473 6574TIP3 H126031 2.319 0.034 -1.523 6574TIP3 H226032 2.249 0.022 -1.390 6575TIP3 OH226033 2.162 0.570 -2.075 6575TIP3 H126034 2.093 0.507 -2.106 6575TIP3 H226035 2.156 0.557 -1.978 6576TIP3 OH226036 2.913 0.444 -1.186 6576TIP3 H126037 2.975 0.489 -1.246 6576TIP3 H226038 2.830 0.447 -1.237 6577TIP3 OH226039 2.595 -0.152 -2.299 6577TIP3 H126040 2.497 -0.159 -2.299 6577TIP3 H226041 2.614 -0.083 -2.233 6578TIP3 OH226042 2.663 0.028 -2.093 6578TIP3 H126043 2.749 0.010 -2.051 6578TIP3 H226044 2.678 0.115 -2.134 6579TIP3 OH226045 2.419 0.699 -2.185 6579TIP3 H126046 2.391 0.783 -2.144 6579TIP3 H226047 2.349 0.639 -2.155 6580TIP3 OH226048 2.584 0.835 -1.028 6580TIP3 H126049 2.489 0.833 -1.040 6580TIP3 H226050 2.595 0.833 -0.933 6581TIP3 OH226051 3.122 0.024 -2.119 6581TIP3 H126052 3.066 0.006 -2.196 6581TIP3 H226053 3.135 0.120 -2.131 6582TIP3 OH226054 2.941 0.888 -2.110 6582TIP3 H126055 2.918 0.812 -2.054 6582TIP3 H226056 2.998 0.849 -2.178 6583TIP3 OH226057 2.672 0.426 -1.367 6583TIP3 H126058 2.578 0.408 -1.382 6583TIP3 H226059 2.713 0.351 -1.415 6584TIP3 OH226060 1.491 0.314 -2.296 6584TIP3 H126061 1.561 0.365 -2.254 6584TIP3 H226062 1.411 0.355 -2.262 6585TIP3 OH226063 2.067 0.600 -1.805 6585TIP3 H126064 2.089 0.680 -1.757 6585TIP3 H226065 2.012 0.550 -1.744 6586TIP3 OH226066 2.135 1.040 -1.186 6586TIP3 H126067 2.201 1.109 -1.205 6586TIP3 H226068 2.186 0.971 -1.141 6587TIP3 OH226069 1.957 1.085 -1.848 6587TIP3 H126070 1.869 1.120 -1.821 6587TIP3 H226071 2.015 1.155 -1.811 6588TIP3 OH226072 2.477 0.592 -1.186 6588TIP3 H126073 2.453 0.565 -1.096 6588TIP3 H226074 2.544 0.526 -1.208 6589TIP3 OH226075 2.687 0.732 -2.319 6589TIP3 H126076 2.731 0.684 -2.246 6589TIP3 H226077 2.595 0.715 -2.294 6590TIP3 OH226078 3.162 1.155 -2.267 6590TIP3 H126079 3.232 1.220 -2.288 6590TIP3 H226080 3.086 1.215 -2.266 6591TIP3 OH226081 2.784 0.592 -2.081 6591TIP3 H126082 2.757 0.519 -2.023 6591TIP3 H226083 2.881 0.588 -2.072 6592TIP3 OH226084 2.112 0.835 -2.462 6592TIP3 H126085 2.143 0.761 -2.519 6592TIP3 H226086 2.069 0.785 -2.392 6593TIP3 OH226087 1.982 0.790 -2.134 6593TIP3 H126088 2.055 0.725 -2.134 6593TIP3 H226089 2.027 0.873 -2.158 6594TIP3 OH226090 1.696 0.539 -2.102 6594TIP3 H126091 1.603 0.558 -2.085 6594TIP3 H226092 1.717 0.591 -2.180 6595TIP3 OH226093 2.437 -0.244 -1.139 6595TIP3 H126094 2.497 -0.217 -1.069 6595TIP3 H226095 2.404 -0.329 -1.104 6596TIP3 OH226096 2.510 -0.276 -2.020 6596TIP3 H126097 2.530 -0.223 -2.099 6596TIP3 H226098 2.556 -0.227 -1.950 6597TIP3 OH226099 2.280 0.944 -2.133 6597TIP3 H126100 2.211 1.008 -2.110 6597TIP3 H226101 2.331 0.993 -2.199 6598TIP3 OH226102 2.224 -0.088 -1.927 6598TIP3 H126103 2.298 -0.026 -1.916 6598TIP3 H226104 2.179 -0.084 -1.841 6599TIP3 OH226105 2.305 -0.372 -1.833 6599TIP3 H126106 2.304 -0.312 -1.757 6599TIP3 H226107 2.376 -0.331 -1.887 6600TIP3 OH226108 2.007 1.061 -2.122 6600TIP3 H126109 2.003 1.138 -2.183 6600TIP3 H226110 2.001 1.106 -2.035 6601TIP3 OH226111 1.873 -0.254 -2.163 6601TIP3 H126112 1.873 -0.172 -2.111 6601TIP3 H226113 1.947 -0.302 -2.123 6602TIP3 OH226114 2.900 -0.185 -0.917 6602TIP3 H126115 2.809 -0.153 -0.918 6602TIP3 H226116 2.908 -0.221 -1.008 6603TIP3 OH226117 2.766 0.195 -1.526 6603TIP3 H126118 2.681 0.153 -1.546 6603TIP3 H226119 2.812 0.126 -1.475 6604TIP3 OH226120 1.722 0.807 -2.276 6604TIP3 H126121 1.797 0.856 -2.238 6604TIP3 H226122 1.769 0.752 -2.340 6605TIP3 OH226123 1.543 0.030 -2.375 6605TIP3 H126124 1.549 0.100 -2.308 6605TIP3 H226125 1.450 0.007 -2.373 6606TIP3 OH226126 2.871 1.083 -1.384 6606TIP3 H126127 2.852 1.166 -1.431 6606TIP3 H226128 2.963 1.099 -1.357 6607TIP3 OH226129 1.621 -0.518 -1.499 6607TIP3 H126130 1.591 -0.513 -1.591 6607TIP3 H226131 1.570 -0.592 -1.463 6608TIP3 OH226132 2.335 1.006 -2.415 6608TIP3 H126133 2.261 0.942 -2.424 6608TIP3 H226134 2.408 0.952 -2.451 6609TIP3 OH226135 2.797 0.997 -2.403 6609TIP3 H126136 2.811 0.916 -2.350 6609TIP3 H226137 2.878 0.998 -2.458 6610TIP3 OH226138 1.878 0.579 -2.419 6610TIP3 H126139 1.895 0.508 -2.355 6610TIP3 H226140 1.958 0.571 -2.475 6611TIP3 OH226141 2.397 0.711 -2.467 6611TIP3 H126142 2.399 0.705 -2.370 6611TIP3 H226143 2.396 0.615 -2.490 6612TIP3 OH226144 1.981 0.378 -2.184 6612TIP3 H126145 1.918 0.323 -2.135 6612TIP3 H226146 2.011 0.312 -2.251 6613TIP3 OH226147 2.087 0.199 -2.373 6613TIP3 H126148 2.082 0.200 -2.470 6613TIP3 H226149 2.182 0.187 -2.357 6614TIP3 OH226150 3.032 0.440 -2.437 6614TIP3 H126151 3.023 0.396 -2.523 6614TIP3 H226152 3.021 0.534 -2.464 6615TIP3 OH226153 2.059 1.306 -2.260 6615TIP3 H126154 2.153 1.323 -2.248 6615TIP3 H226155 2.042 1.357 -2.341 6616TIP3 OH226156 1.444 0.748 -2.306 6616TIP3 H126157 1.539 0.769 -2.288 6616TIP3 H226158 1.450 0.671 -2.365 6617TIP3 OH226159 1.349 1.259 -1.798 6617TIP3 H126160 1.286 1.230 -1.867 6617TIP3 H226161 1.341 1.191 -1.732 6618TIP3 OH226162 3.145 1.190 -1.332 6618TIP3 H126163 3.152 1.202 -1.236 6618TIP3 H226164 3.224 1.233 -1.364 6619TIP3 OH226165 3.139 1.132 -1.045 6619TIP3 H126166 3.070 1.066 -1.069 6619TIP3 H226167 3.179 1.094 -0.966 6620TIP3 OH226168 3.071 0.578 -2.043 6620TIP3 H126169 3.162 0.608 -2.026 6620TIP3 H226170 3.061 0.513 -1.971 6621TIP3 OH226171 3.117 0.373 -1.846 6621TIP3 H126172 3.049 0.317 -1.803 6621TIP3 H226173 3.184 0.384 -1.776 6622TIP3 OH226174 3.095 0.632 -1.333 6622TIP3 H126175 3.154 0.566 -1.375 6622TIP3 H226176 3.115 0.713 -1.383 6623TIP3 OH226177 2.940 0.921 -1.107 6623TIP3 H126178 2.857 0.954 -1.071 6623TIP3 H226179 2.908 0.881 -1.191 6624TIP3 OH226180 3.144 0.318 -2.189 6624TIP3 H126181 3.092 0.347 -2.266 6624TIP3 H226182 3.130 0.391 -2.127 6625TIP3 OH226183 2.967 0.075 -2.363 6625TIP3 H126184 2.996 0.131 -2.436 6625TIP3 H226185 2.945 -0.009 -2.408 6626TIP3 OH226186 2.908 0.186 -1.766 6626TIP3 H126187 2.903 0.090 -1.779 6626TIP3 H226188 2.870 0.196 -1.676 6627TIP3 OH226189 2.917 -0.191 -2.441 6627TIP3 H126190 2.975 -0.242 -2.382 6627TIP3 H226191 2.836 -0.245 -2.445 6628TIP3 OH226192 2.897 -0.065 -1.948 6628TIP3 H126193 2.920 -0.160 -1.940 6628TIP3 H226194 2.979 -0.030 -1.987 6629TIP3 OH226195 2.917 0.003 -1.395 6629TIP3 H126196 3.014 0.011 -1.395 6629TIP3 H226197 2.899 0.006 -1.300 6630TIP3 OH226198 2.930 0.111 -1.117 6630TIP3 H126199 2.845 0.125 -1.074 6630TIP3 H226200 2.953 0.200 -1.146 6631TIP3 OH226201 2.944 -0.345 -1.949 6631TIP3 H126202 2.957 -0.378 -1.859 6631TIP3 H226203 2.864 -0.394 -1.977 6632TIP3 OH226204 3.141 -0.294 -2.285 6632TIP3 H126205 3.173 -0.376 -2.326 6632TIP3 H226206 3.223 -0.244 -2.272 6633TIP3 OH226207 2.827 1.205 -1.755 6633TIP3 H126208 2.877 1.178 -1.834 6633TIP3 H226209 2.896 1.242 -1.699 6634TIP3 OH226210 1.871 0.981 -1.046 6634TIP3 H126211 1.925 0.903 -1.028 6634TIP3 H226212 1.932 1.043 -1.088 6635TIP3 OH226213 3.020 -0.487 -0.969 6635TIP3 H126214 2.935 -0.467 -1.011 6635TIP3 H226215 3.033 -0.578 -1.000 6636TIP3 OH226216 1.615 1.328 -1.047 6636TIP3 H126217 1.541 1.347 -1.108 6636TIP3 H226218 1.580 1.262 -0.986 6637TIP3 OH226219 1.877 1.247 -1.215 6637TIP3 H126220 1.810 1.264 -1.147 6637TIP3 H226221 1.866 1.323 -1.274 6638TIP3 OH226222 2.317 1.258 -1.268 6638TIP3 H126223 2.278 1.304 -1.344 6638TIP3 H226224 2.331 1.331 -1.205 6639TIP3 OH226225 2.547 1.113 -1.195 6639TIP3 H126226 2.464 1.160 -1.211 6639TIP3 H226227 2.602 1.181 -1.153 6640TIP3 OH226228 2.823 1.283 -1.142 6640TIP3 H126229 2.800 1.372 -1.171 6640TIP3 H226230 2.823 1.233 -1.225 6641TIP3 OH226231 1.773 1.028 -1.552 6641TIP3 H126232 1.748 0.952 -1.498 6641TIP3 H226233 1.854 1.057 -1.506 6642TIP3 OH226234 2.037 1.071 -1.459 6642TIP3 H126235 2.050 0.976 -1.478 6642TIP3 H226236 2.047 1.071 -1.361 6643TIP3 OH226237 2.359 -0.331 -1.533 6643TIP3 H126238 2.286 -0.393 -1.512 6643TIP3 H226239 2.420 -0.388 -1.583 6644TIP3 OH226240 2.856 -0.526 -1.474 6644TIP3 H126241 2.934 -0.494 -1.523 6644TIP3 H226242 2.782 -0.512 -1.535 6645TIP3 OH226243 3.060 -0.427 -1.694 6645TIP3 H126244 3.134 -0.472 -1.739 6645TIP3 H226245 3.095 -0.337 -1.680 6646TIP3 OH226246 1.583 -0.480 -1.775 6646TIP3 H126247 1.512 -0.505 -1.834 6646TIP3 H226248 1.655 -0.538 -1.804 6647TIP3 OH226249 1.459 -0.502 -2.162 6647TIP3 H126250 1.520 -0.456 -2.223 6647TIP3 H226251 1.423 -0.427 -2.113 6648TIP3 OH226252 2.045 -0.498 -1.776 6648TIP3 H126253 2.131 -0.456 -1.792 6648TIP3 H226254 2.044 -0.500 -1.679 6649TIP3 OH226255 2.597 -0.480 -1.640 6649TIP3 H126256 2.628 -0.505 -1.728 6649TIP3 H226257 2.562 -0.565 -1.607 6650TIP3 OH226258 2.711 -0.485 -2.046 6650TIP3 H126259 2.627 -0.435 -2.055 6650TIP3 H226260 2.677 -0.573 -2.023 6651TIP3 OH226261 1.482 1.057 -2.048 6651TIP3 H126262 1.422 1.050 -2.125 6651TIP3 H226263 1.493 1.152 -2.044 6652TIP3 OH226264 1.652 -0.337 -2.324 6652TIP3 H126265 1.717 -0.389 -2.374 6652TIP3 H226266 1.709 -0.299 -2.254 6653TIP3 OH226267 2.165 -0.314 -2.081 6653TIP3 H126268 2.188 -0.374 -2.009 6653TIP3 H226269 2.172 -0.228 -2.034 6654TIP3 OH226270 2.362 1.257 -2.251 6654TIP3 H126271 2.460 1.259 -2.256 6654TIP3 H226272 2.342 1.193 -2.321 6655TIP3 OH226273 3.012 1.160 -1.993 6655TIP3 H126274 2.989 1.075 -2.036 6655TIP3 H226275 3.009 1.220 -2.069 6656TIP3 OH226276 1.638 1.170 -2.383 6656TIP3 H126277 1.614 1.200 -2.294 6656TIP3 H226278 1.715 1.114 -2.368 6657TIP3 OH226279 4.207 0.326 -1.429 6657TIP3 H126280 4.288 0.338 -1.375 6657TIP3 H226281 4.244 0.305 -1.516 6658TIP3 OH226282 3.515 0.311 -1.260 6658TIP3 H126283 3.519 0.231 -1.204 6658TIP3 H226284 3.595 0.357 -1.233 6659TIP3 OH226285 3.583 0.773 -1.409 6659TIP3 H126286 3.558 0.682 -1.437 6659TIP3 H226287 3.679 0.759 -1.399 6660TIP3 OH226288 3.281 0.115 -1.882 6660TIP3 H126289 3.236 0.200 -1.870 6660TIP3 H226290 3.209 0.060 -1.915 6661TIP3 OH226291 3.357 0.358 -1.687 6661TIP3 H126292 3.371 0.275 -1.638 6661TIP3 H226293 3.439 0.365 -1.737 6662TIP3 OH226294 4.117 0.600 -1.367 6662TIP3 H126295 4.142 0.521 -1.419 6662TIP3 H226296 4.200 0.618 -1.321 6663TIP3 OH226297 3.744 -0.165 -1.618 6663TIP3 H126298 3.758 -0.080 -1.664 6663TIP3 H226299 3.709 -0.218 -1.692 6664TIP3 OH226300 3.412 0.109 -1.567 6664TIP3 H126301 3.472 0.058 -1.510 6664TIP3 H226302 3.418 0.058 -1.650 6665TIP3 OH226303 3.950 0.243 -1.619 6665TIP3 H126304 4.026 0.191 -1.585 6665TIP3 H226305 3.902 0.174 -1.668 6666TIP3 OH226306 3.625 -0.284 -1.201 6666TIP3 H126307 3.581 -0.238 -1.274 6666TIP3 H226308 3.557 -0.276 -1.131 6667TIP3 OH226309 3.908 0.508 -1.183 6667TIP3 H126310 3.830 0.564 -1.178 6667TIP3 H226311 3.975 0.565 -1.225 6668TIP3 OH226312 3.583 -0.080 -1.411 6668TIP3 H126313 3.649 -0.025 -1.364 6668TIP3 H226314 3.641 -0.120 -1.480 6669TIP3 OH226315 3.657 0.682 -1.100 6669TIP3 H126316 3.682 0.770 -1.133 6669TIP3 H226317 3.615 0.700 -1.015 6670TIP3 OH226318 3.348 0.660 -2.030 6670TIP3 H126319 3.326 0.710 -2.111 6670TIP3 H226320 3.364 0.729 -1.963 6671TIP3 OH226321 4.044 -0.540 -1.487 6671TIP3 H126322 4.016 -0.634 -1.490 6671TIP3 H226323 3.964 -0.497 -1.452 6672TIP3 OH226324 4.269 0.346 -2.024 6672TIP3 H126325 4.200 0.412 -2.037 6672TIP3 H226326 4.328 0.364 -2.097 6673TIP3 OH226327 4.291 0.194 -2.308 6673TIP3 H126328 4.361 0.184 -2.242 6673TIP3 H226329 4.293 0.111 -2.356 6674TIP3 OH226330 3.759 0.433 -1.731 6674TIP3 H126331 3.728 0.387 -1.811 6674TIP3 H226332 3.822 0.368 -1.694 6675TIP3 OH226333 3.895 0.768 -1.452 6675TIP3 H126334 3.888 0.730 -1.541 6675TIP3 H226335 3.977 0.725 -1.421 6676TIP3 OH226336 3.816 0.321 -1.382 6676TIP3 H126337 3.876 0.313 -1.458 6676TIP3 H226338 3.866 0.380 -1.322 6677TIP3 OH226339 3.905 0.755 -0.901 6677TIP3 H126340 3.854 0.814 -0.844 6677TIP3 H226341 3.840 0.724 -0.964 6678TIP3 OH226342 3.579 0.375 -0.966 6678TIP3 H126343 3.576 0.444 -0.899 6678TIP3 H226344 3.490 0.377 -1.004 6679TIP3 OH226345 4.251 0.958 -1.813 6679TIP3 H126346 4.299 1.005 -1.743 6679TIP3 H226347 4.199 1.029 -1.853 6680TIP3 OH226348 3.694 0.950 -0.816 6680TIP3 H126349 3.696 0.971 -0.911 6680TIP3 H226350 3.600 0.948 -0.794 6681TIP3 OH226351 3.650 0.309 -1.977 6681TIP3 H126352 3.628 0.383 -2.035 6681TIP3 H226353 3.585 0.242 -2.003 6682TIP3 OH226354 3.261 0.867 -1.416 6682TIP3 H126355 3.354 0.840 -1.410 6682TIP3 H226356 3.251 0.937 -1.350 6683TIP3 OH226357 4.172 0.855 -0.955 6683TIP3 H126358 4.182 0.939 -0.907 6683TIP3 H226359 4.085 0.822 -0.925 6684TIP3 OH226360 4.180 1.235 -1.960 6684TIP3 H126361 4.206 1.238 -2.053 6684TIP3 H226362 4.208 1.320 -1.924 6685TIP3 OH226363 3.572 1.149 -1.793 6685TIP3 H126364 3.589 1.102 -1.709 6685TIP3 H226365 3.491 1.105 -1.823 6686TIP3 OH226366 3.797 -0.421 -1.405 6686TIP3 H126367 3.714 -0.431 -1.455 6686TIP3 H226368 3.772 -0.350 -1.344 6687TIP3 OH226369 4.232 -0.487 -0.977 6687TIP3 H126370 4.244 -0.561 -0.915 6687TIP3 H226371 4.141 -0.504 -1.008 6688TIP3 OH226372 4.228 -0.204 -2.315 6688TIP3 H126373 4.179 -0.218 -2.232 6688TIP3 H226374 4.196 -0.280 -2.365 6689TIP3 OH226375 3.780 0.057 -1.263 6689TIP3 H126376 3.719 0.064 -1.188 6689TIP3 H226377 3.785 0.148 -1.297 6690TIP3 OH226378 3.774 0.065 -1.775 6690TIP3 H126379 3.678 0.053 -1.790 6690TIP3 H226380 3.809 0.043 -1.863 6691TIP3 OH226381 4.281 0.115 -1.827 6691TIP3 H126382 4.267 0.209 -1.848 6691TIP3 H226383 4.371 0.113 -1.794 6692TIP3 OH226384 4.249 0.145 -0.744 6692TIP3 H126385 4.195 0.065 -0.728 6692TIP3 H226386 4.338 0.104 -0.743 6693TIP3 OH226387 3.521 0.072 -1.080 6693TIP3 H126388 3.543 0.098 -0.990 6693TIP3 H226389 3.480 -0.016 -1.065 6694TIP3 OH226390 3.863 -0.163 -2.422 6694TIP3 H126391 3.825 -0.199 -2.339 6694TIP3 H226392 3.785 -0.155 -2.478 6695TIP3 OH226393 3.204 -0.174 -1.719 6695TIP3 H126394 3.260 -0.182 -1.639 6695TIP3 H226395 3.252 -0.224 -1.786 6696TIP3 OH226396 3.358 -0.138 -2.145 6696TIP3 H126397 3.414 -0.089 -2.209 6696TIP3 H226398 3.290 -0.072 -2.125 6697TIP3 OH226399 4.344 0.202 -1.138 6697TIP3 H126400 4.377 0.136 -1.204 6697TIP3 H226401 4.271 0.151 -1.099 6698TIP3 OH226402 4.049 -0.192 -1.671 6698TIP3 H126403 3.954 -0.190 -1.647 6698TIP3 H226404 4.089 -0.182 -1.584 6699TIP3 OH226405 3.511 -0.053 -1.806 6699TIP3 H126406 3.427 -0.029 -1.849 6699TIP3 H226407 3.538 -0.134 -1.852 6700TIP3 OH226408 3.873 -0.023 -2.037 6700TIP3 H126409 3.969 -0.011 -2.029 6700TIP3 H226410 3.846 0.040 -2.106 6701TIP3 OH226411 3.720 0.107 -2.259 6701TIP3 H126412 3.660 0.075 -2.328 6701TIP3 H226413 3.803 0.116 -2.309 6702TIP3 OH226414 3.530 0.598 -0.759 6702TIP3 H126415 3.617 0.598 -0.714 6702TIP3 H226416 3.475 0.580 -0.682 6703TIP3 OH226417 4.141 0.045 -1.527 6703TIP3 H126418 4.215 0.004 -1.574 6703TIP3 H226419 4.161 0.024 -1.435 6704TIP3 OH226420 3.683 -0.282 -1.876 6704TIP3 H126421 3.626 -0.358 -1.856 6704TIP3 H226422 3.766 -0.324 -1.903 6705TIP3 OH226423 4.051 -0.087 -1.261 6705TIP3 H126424 3.979 -0.023 -1.274 6705TIP3 H226425 4.101 -0.047 -1.188 6706TIP3 OH226426 4.073 0.547 -2.071 6706TIP3 H126427 3.995 0.500 -2.107 6706TIP3 H226428 4.050 0.557 -1.976 6707TIP3 OH226429 4.192 0.548 -0.950 6707TIP3 H126430 4.194 0.532 -0.856 6707TIP3 H226431 4.217 0.641 -0.959 6708TIP3 OH226432 3.580 0.506 -1.489 6708TIP3 H126433 3.633 0.489 -1.569 6708TIP3 H226434 3.582 0.419 -1.446 6709TIP3 OH226435 4.287 0.691 -2.177 6709TIP3 H126436 4.259 0.779 -2.145 6709TIP3 H226437 4.214 0.636 -2.143 6710TIP3 OH226438 4.002 0.280 -0.764 6710TIP3 H126439 3.966 0.247 -0.848 6710TIP3 H226440 4.095 0.252 -0.772 6711TIP3 OH226441 3.814 0.830 -1.764 6711TIP3 H126442 3.858 0.915 -1.779 6711TIP3 H226443 3.724 0.849 -1.792 6712TIP3 OH226444 3.414 0.310 -2.308 6712TIP3 H126445 3.473 0.376 -2.266 6712TIP3 H226446 3.327 0.335 -2.270 6713TIP3 OH226447 3.994 0.598 -1.808 6713TIP3 H126448 3.966 0.689 -1.790 6713TIP3 H226449 3.925 0.547 -1.763 6714TIP3 OH226450 4.019 1.027 -1.165 6714TIP3 H126451 4.077 1.099 -1.198 6714TIP3 H226452 4.084 0.974 -1.115 6715TIP3 OH226453 3.859 1.119 -1.847 6715TIP3 H126454 3.764 1.136 -1.837 6715TIP3 H226455 3.898 1.205 -1.822 6716TIP3 OH226456 3.430 -0.203 -1.005 6716TIP3 H126457 3.337 -0.176 -1.021 6716TIP3 H226458 3.417 -0.291 -0.965 6717TIP3 OH226459 3.410 0.906 -1.077 6717TIP3 H126460 3.458 0.877 -1.156 6717TIP3 H226461 3.435 1.000 -1.073 6718TIP3 OH226462 3.994 0.837 -2.464 6718TIP3 H126463 4.029 0.760 -2.511 6718TIP3 H226464 3.957 0.794 -2.385 6719TIP3 OH226465 3.885 0.781 -2.188 6719TIP3 H126466 3.934 0.729 -2.122 6719TIP3 H226467 3.899 0.873 -2.157 6720TIP3 OH226468 3.565 0.530 -2.155 6720TIP3 H126469 3.493 0.568 -2.099 6720TIP3 H226470 3.614 0.611 -2.179 6721TIP3 OH226471 4.335 -0.180 -1.093 6721TIP3 H126472 4.387 -0.258 -1.071 6721TIP3 H226473 4.275 -0.215 -1.161 6722TIP3 OH226474 4.167 0.947 -2.137 6722TIP3 H126475 4.089 0.999 -2.112 6722TIP3 H226476 4.210 1.006 -2.200 6723TIP3 OH226477 4.137 -0.087 -1.930 6723TIP3 H126478 4.201 -0.019 -1.899 6723TIP3 H226479 4.101 -0.112 -1.844 6724TIP3 OH226480 4.168 0.013 -1.012 6724TIP3 H126481 4.186 0.058 -0.928 6724TIP3 H226482 4.234 -0.059 -1.013 6725TIP3 OH226483 4.190 -0.385 -1.806 6725TIP3 H126484 4.167 -0.302 -1.759 6725TIP3 H226485 4.268 -0.357 -1.860 6726TIP3 OH226486 3.893 1.055 -2.130 6726TIP3 H126487 3.891 1.137 -2.182 6726TIP3 H226488 3.881 1.088 -2.039 6727TIP3 OH226489 3.770 -0.275 -2.188 6727TIP3 H126490 3.769 -0.204 -2.121 6727TIP3 H226491 3.848 -0.326 -2.159 6728TIP3 OH226492 3.611 0.813 -2.276 6728TIP3 H126493 3.685 0.860 -2.234 6728TIP3 H226494 3.661 0.760 -2.341 6729TIP3 OH226495 3.426 0.031 -2.365 6729TIP3 H126496 3.435 0.125 -2.341 6729TIP3 H226497 3.338 0.028 -2.403 6730TIP3 OH226498 3.517 -0.466 -1.485 6730TIP3 H126499 3.497 -0.471 -1.580 6730TIP3 H226500 3.484 -0.552 -1.451 6731TIP3 OH226501 3.406 0.883 -1.856 6731TIP3 H126502 3.327 0.933 -1.834 6731TIP3 H226503 3.443 0.934 -1.930 6732TIP3 OH226504 3.349 1.131 -0.752 6732TIP3 H126505 3.406 1.136 -0.673 6732TIP3 H226506 3.279 1.073 -0.722 6733TIP3 OH226507 3.817 1.084 -0.568 6733TIP3 H126508 3.880 1.016 -0.539 6733TIP3 H226509 3.791 1.048 -0.654 6734TIP3 OH226510 4.232 1.003 -2.434 6734TIP3 H126511 4.148 0.952 -2.430 6734TIP3 H226512 4.294 0.928 -2.443 6735TIP3 OH226513 3.763 0.579 -2.429 6735TIP3 H126514 3.777 0.519 -2.354 6735TIP3 H226515 3.849 0.573 -2.474 6736TIP3 OH226516 4.003 0.558 -0.697 6736TIP3 H126517 3.985 0.586 -0.788 6736TIP3 H226518 4.018 0.462 -0.708 6737TIP3 OH226519 4.262 0.711 -2.474 6737TIP3 H126520 4.276 0.720 -2.378 6737TIP3 H226521 4.242 0.616 -2.481 6738TIP3 OH226522 3.870 0.385 -2.198 6738TIP3 H126523 3.808 0.336 -2.142 6738TIP3 H226524 3.901 0.315 -2.258 6739TIP3 OH226525 3.796 0.168 -0.964 6739TIP3 H126526 3.736 0.243 -0.952 6739TIP3 H226527 3.854 0.198 -1.036 6740TIP3 OH226528 3.980 0.187 -2.366 6740TIP3 H126529 3.969 0.191 -2.463 6740TIP3 H226530 4.075 0.199 -2.356 6741TIP3 OH226531 4.282 0.413 -0.607 6741TIP3 H126532 4.359 0.382 -0.655 6741TIP3 H226533 4.266 0.337 -0.549 6742TIP3 OH226534 3.860 -0.105 -0.852 6742TIP3 H126535 3.859 -0.172 -0.923 6742TIP3 H226536 3.837 -0.024 -0.902 6743TIP3 OH226537 3.886 -0.261 -1.110 6743TIP3 H126538 3.935 -0.205 -1.175 6743TIP3 H226539 3.795 -0.259 -1.145 6744TIP3 OH226540 4.057 0.281 -1.086 6744TIP3 H126541 4.135 0.279 -1.144 6744TIP3 H226542 4.031 0.374 -1.093 6745TIP3 OH226543 3.663 0.079 -0.667 6745TIP3 H126544 3.609 -0.001 -0.685 6745TIP3 H226545 3.743 0.059 -0.718 6746TIP3 OH226546 3.970 -0.524 -1.075 6746TIP3 H126547 3.946 -0.430 -1.092 6746TIP3 H226548 3.905 -0.570 -1.130 6747TIP3 OH226549 4.102 -0.079 -0.701 6747TIP3 H126550 4.062 -0.105 -0.616 6747TIP3 H226551 4.027 -0.100 -0.761 6748TIP3 OH226552 3.554 -0.178 -0.689 6748TIP3 H126553 3.526 -0.230 -0.766 6748TIP3 H226554 3.489 -0.207 -0.623 6749TIP3 OH226555 3.945 -0.579 -0.792 6749TIP3 H126556 4.008 -0.653 -0.792 6749TIP3 H226557 3.938 -0.562 -0.888 6750TIP3 OH226558 4.035 -0.397 -0.598 6750TIP3 H126559 4.008 -0.453 -0.674 6750TIP3 H226560 3.971 -0.325 -0.603 6751TIP3 OH226561 3.956 1.308 -2.259 6751TIP3 H126562 4.052 1.316 -2.251 6751TIP3 H226563 3.941 1.357 -2.340 6752TIP3 OH226564 3.334 0.753 -2.309 6752TIP3 H126565 3.430 0.769 -2.293 6752TIP3 H226566 3.336 0.672 -2.364 6753TIP3 OH226567 3.235 1.269 -1.833 6753TIP3 H126568 3.162 1.233 -1.887 6753TIP3 H226569 3.244 1.201 -1.764 6754TIP3 OH226570 3.273 1.074 -1.636 6754TIP3 H126571 3.242 0.986 -1.606 6754TIP3 H226572 3.305 1.108 -1.551 6755TIP3 OH226573 3.270 0.398 -1.383 6755TIP3 H126574 3.292 0.396 -1.477 6755TIP3 H226575 3.355 0.373 -1.341 6756TIP3 OH226576 3.347 -0.219 -1.473 6756TIP3 H126577 3.387 -0.308 -1.464 6756TIP3 H226578 3.420 -0.163 -1.440 6757TIP3 OH226579 3.200 0.066 -1.354 6757TIP3 H126580 3.256 0.042 -1.429 6757TIP3 H226581 3.235 0.153 -1.331 6758TIP3 OH226582 3.253 -0.325 -1.966 6758TIP3 H126583 3.157 -0.319 -1.983 6758TIP3 H226584 3.291 -0.262 -2.030 6759TIP3 OH226585 3.255 -0.431 -1.147 6759TIP3 H126586 3.187 -0.457 -1.082 6759TIP3 H226587 3.200 -0.392 -1.217 6760TIP3 OH226588 3.737 0.972 -1.109 6760TIP3 H126589 3.716 1.060 -1.146 6760TIP3 H226590 3.833 0.972 -1.125 6761TIP3 OH226591 4.219 1.137 -0.823 6761TIP3 H126592 4.205 1.099 -0.734 6761TIP3 H226593 4.314 1.157 -0.818 6762TIP3 OH226594 3.466 1.253 -1.084 6762TIP3 H126595 3.417 1.326 -1.127 6762TIP3 H226596 3.445 1.274 -0.992 6763TIP3 OH226597 3.723 1.238 -1.227 6763TIP3 H126598 3.646 1.273 -1.179 6763TIP3 H226599 3.739 1.309 -1.293 6764TIP3 OH226600 4.192 1.228 -1.266 6764TIP3 H126601 4.181 1.273 -1.351 6764TIP3 H226602 4.263 1.280 -1.225 6765TIP3 OH226603 3.434 1.141 -1.389 6765TIP3 H126604 3.454 1.120 -1.297 6765TIP3 H226605 3.512 1.105 -1.436 6766TIP3 OH226606 3.636 1.025 -1.539 6766TIP3 H126607 3.625 0.930 -1.518 6766TIP3 H226608 3.729 1.040 -1.512 6767TIP3 OH226609 3.909 1.070 -1.454 6767TIP3 H126610 3.935 0.979 -1.476 6767TIP3 H226611 3.923 1.069 -1.358 6768TIP3 OH226612 4.265 -0.371 -1.522 6768TIP3 H126613 4.182 -0.421 -1.510 6768TIP3 H226614 4.299 -0.411 -1.602 6769TIP3 OH226615 3.482 -0.469 -1.770 6769TIP3 H126616 3.395 -0.485 -1.812 6769TIP3 H226617 3.523 -0.557 -1.781 6770TIP3 OH226618 3.358 -0.521 -2.181 6770TIP3 H126619 3.411 -0.455 -2.230 6770TIP3 H226620 3.322 -0.467 -2.108 6771TIP3 OH226621 3.929 -0.483 -1.778 6771TIP3 H126622 4.023 -0.458 -1.791 6771TIP3 H226623 3.928 -0.498 -1.683 6772TIP3 OH226624 3.381 1.074 -2.064 6772TIP3 H126625 3.316 1.062 -2.135 6772TIP3 H226626 3.378 1.171 -2.054 6773TIP3 OH226627 3.533 -0.338 -2.337 6773TIP3 H126628 3.594 -0.395 -2.388 6773TIP3 H226629 3.593 -0.305 -2.267 6774TIP3 OH226630 4.064 -0.316 -2.082 6774TIP3 H126631 4.071 -0.384 -2.013 6774TIP3 H226632 4.060 -0.234 -2.030 6775TIP3 OH226633 4.263 1.240 -2.255 6775TIP3 H126634 4.351 1.277 -2.271 6775TIP3 H226635 4.250 1.180 -2.331 6776TIP3 OH226636 3.460 -0.445 -0.818 6776TIP3 H126637 3.412 -0.522 -0.781 6776TIP3 H226638 3.549 -0.458 -0.783 6777TIP3 OH226639 3.705 -0.506 -0.636 6777TIP3 H126640 3.784 -0.542 -0.680 6777TIP3 H226641 3.661 -0.586 -0.604 6778TIP3 OH226642 3.525 1.173 -2.384 6778TIP3 H126643 3.500 1.196 -2.293 6778TIP3 H226644 3.599 1.111 -2.370 6779TIP3 OH226645 -3.158 2.293 -1.743 6779TIP3 H126646 -3.163 2.389 -1.735 6779TIP3 H226647 -3.237 2.274 -1.797 6780TIP3 OH226648 -3.269 2.234 -1.434 6780TIP3 H126649 -3.275 2.178 -1.355 6780TIP3 H226650 -3.301 2.173 -1.503 6781TIP3 OH226651 -4.025 2.192 -1.273 6781TIP3 H126652 -4.034 2.120 -1.208 6781TIP3 H226653 -3.961 2.250 -1.229 6782TIP3 OH226654 -2.898 2.503 -1.599 6782TIP3 H126655 -2.948 2.437 -1.550 6782TIP3 H226656 -2.891 2.575 -1.535 6783TIP3 OH226657 -3.959 2.656 -1.421 6783TIP3 H126658 -3.988 2.566 -1.445 6783TIP3 H226659 -3.866 2.639 -1.399 6784TIP3 OH226660 -4.174 2.102 -1.944 6784TIP3 H126661 -4.219 2.166 -1.886 6784TIP3 H226662 -4.218 2.021 -1.913 6785TIP3 OH226663 -4.212 2.241 -1.698 6785TIP3 H126664 -4.188 2.169 -1.637 6785TIP3 H226665 -4.127 2.273 -1.728 6786TIP3 OH226666 -3.201 3.043 -1.548 6786TIP3 H126667 -3.141 2.972 -1.576 6786TIP3 H226668 -3.230 3.013 -1.461 6787TIP3 OH226669 -3.425 2.485 -1.378 6787TIP3 H126670 -3.394 2.414 -1.437 6787TIP3 H226671 -3.344 2.500 -1.326 6788TIP3 OH226672 -2.561 1.629 -1.313 6788TIP3 H126673 -2.525 1.663 -1.230 6788TIP3 H226674 -2.493 1.658 -1.376 6789TIP3 OH226675 -3.094 1.920 -1.327 6789TIP3 H126676 -3.083 1.823 -1.319 6789TIP3 H226677 -3.107 1.930 -1.423 6790TIP3 OH226678 -3.798 1.720 -1.620 6790TIP3 H126679 -3.786 1.806 -1.666 6790TIP3 H226680 -3.834 1.667 -1.694 6791TIP3 OH226681 -3.014 1.737 -1.788 6791TIP3 H126682 -2.957 1.693 -1.721 6791TIP3 H226683 -2.948 1.781 -1.842 6792TIP3 OH226684 -4.133 2.000 -1.565 6792TIP3 H126685 -4.078 1.952 -1.502 6792TIP3 H226686 -4.125 1.943 -1.643 6793TIP3 OH226687 -3.591 2.131 -1.623 6793TIP3 H126688 -3.522 2.075 -1.583 6793TIP3 H226689 -3.643 2.065 -1.672 6794TIP3 OH226690 -2.464 1.791 -1.068 6794TIP3 H126691 -2.542 1.844 -1.088 6794TIP3 H226692 -2.481 1.765 -0.976 6795TIP3 OH226693 -3.917 1.603 -1.203 6795TIP3 H126694 -3.964 1.645 -1.276 6795TIP3 H226695 -3.980 1.616 -1.130 6796TIP3 OH226696 -3.168 2.576 -1.862 6796TIP3 H126697 -3.200 2.552 -1.949 6796TIP3 H226698 -3.215 2.660 -1.845 6797TIP3 OH226699 -3.625 2.386 -1.190 6797TIP3 H126700 -3.699 2.445 -1.164 6797TIP3 H226701 -3.564 2.449 -1.235 6798TIP3 OH226702 -2.830 1.661 -1.585 6798TIP3 H126703 -2.871 1.600 -1.522 6798TIP3 H226704 -2.780 1.720 -1.525 6799TIP3 OH226705 -3.957 1.808 -1.413 6799TIP3 H126706 -3.893 1.864 -1.365 6799TIP3 H226707 -3.899 1.769 -1.482 6800TIP3 OH226708 -3.827 2.573 -1.117 6800TIP3 H126709 -3.830 2.665 -1.149 6800TIP3 H226710 -3.916 2.567 -1.077 6801TIP3 OH226711 -4.184 2.535 -2.026 6801TIP3 H126712 -4.263 2.556 -2.079 6801TIP3 H226713 -4.189 2.600 -1.953 6802TIP3 OH226714 -2.842 2.684 -1.356 6802TIP3 H126715 -2.939 2.693 -1.347 6802TIP3 H226716 -2.820 2.773 -1.389 6803TIP3 OH226717 -2.815 1.582 -1.197 6803TIP3 H126718 -2.890 1.620 -1.247 6803TIP3 H226719 -2.741 1.595 -1.259 6804TIP3 OH226720 -3.505 1.348 -1.494 6804TIP3 H126721 -3.527 1.253 -1.499 6804TIP3 H226722 -3.588 1.385 -1.456 6805TIP3 OH226723 -3.016 2.880 -1.692 6805TIP3 H126724 -2.968 2.805 -1.730 6805TIP3 H226725 -2.953 2.953 -1.707 6806TIP3 OH226726 -2.873 2.667 -1.833 6806TIP3 H126727 -2.925 2.625 -1.904 6806TIP3 H226728 -2.883 2.602 -1.761 6807TIP3 OH226729 -2.719 2.551 -0.984 6807TIP3 H126730 -2.734 2.489 -1.057 6807TIP3 H226731 -2.715 2.638 -1.029 6808TIP3 OH226732 -3.296 2.242 -2.015 6808TIP3 H126733 -3.362 2.303 -2.052 6808TIP3 H226734 -3.225 2.247 -2.081 6809TIP3 OH226735 -3.267 2.061 -2.309 6809TIP3 H126736 -3.197 2.093 -2.249 6809TIP3 H226737 -3.215 2.003 -2.368 6810TIP3 OH226738 -2.525 2.186 -1.209 6810TIP3 H126739 -2.608 2.236 -1.202 6810TIP3 H226740 -2.504 2.193 -1.303 6811TIP3 OH226741 -2.943 2.243 -1.908 6811TIP3 H126742 -3.013 2.265 -1.842 6811TIP3 H226743 -2.887 2.183 -1.855 6812TIP3 OH226744 -2.957 2.098 -1.025 6812TIP3 H126745 -2.957 2.179 -0.972 6812TIP3 H226746 -3.027 2.122 -1.089 6813TIP3 OH226747 -3.781 2.321 -1.733 6813TIP3 H126748 -3.816 2.276 -1.812 6813TIP3 H226749 -3.719 2.255 -1.698 6814TIP3 OH226750 -3.647 2.660 -1.457 6814TIP3 H126751 -3.659 2.622 -1.544 6814TIP3 H226752 -3.568 2.613 -1.425 6815TIP3 OH226753 -3.726 2.201 -1.383 6815TIP3 H126754 -3.668 2.206 -1.461 6815TIP3 H226755 -3.687 2.268 -1.323 6816TIP3 OH226756 -3.121 2.747 -1.322 6816TIP3 H126757 -3.129 2.819 -1.257 6816TIP3 H226758 -3.154 2.670 -1.275 6817TIP3 OH226759 -3.642 2.632 -0.898 6817TIP3 H126760 -3.694 2.698 -0.849 6817TIP3 H226761 -3.706 2.605 -0.967 6818TIP3 OH226762 -3.049 2.187 -2.162 6818TIP3 H126763 -3.002 2.215 -2.081 6818TIP3 H226764 -2.999 2.238 -2.231 6819TIP3 OH226765 -3.956 2.266 -0.983 6819TIP3 H126766 -3.948 2.327 -0.907 6819TIP3 H226767 -4.053 2.262 -0.994 6820TIP3 OH226768 -3.300 2.847 -1.806 6820TIP3 H126769 -3.259 2.879 -1.724 6820TIP3 H226770 -3.352 2.924 -1.835 6821TIP3 OH226771 -3.835 2.846 -0.814 6821TIP3 H126772 -3.844 2.853 -0.911 6821TIP3 H226773 -3.927 2.830 -0.785 6822TIP3 OH226774 -2.705 1.362 -2.214 6822TIP3 H126775 -2.793 1.370 -2.172 6822TIP3 H226776 -2.671 1.452 -2.206 6823TIP3 OH226777 -3.891 2.191 -1.980 6823TIP3 H126778 -3.918 2.268 -2.032 6823TIP3 H226779 -3.971 2.135 -1.987 6824TIP3 OH226780 -2.567 2.774 -2.356 6824TIP3 H126781 -2.552 2.868 -2.336 6824TIP3 H226782 -2.480 2.735 -2.337 6825TIP3 OH226783 -4.264 2.474 -1.127 6825TIP3 H126784 -4.300 2.447 -1.214 6825TIP3 H226785 -4.306 2.407 -1.070 6826TIP3 OH226786 -4.284 2.758 -1.429 6826TIP3 H126787 -4.201 2.711 -1.410 6826TIP3 H226788 -4.300 2.805 -1.346 6827TIP3 OH226789 -2.443 2.814 -0.833 6827TIP3 H126790 -2.455 2.719 -0.847 6827TIP3 H226791 -2.534 2.841 -0.805 6828TIP3 OH226792 -3.378 2.737 -0.954 6828TIP3 H126793 -3.370 2.819 -0.902 6828TIP3 H226794 -3.468 2.708 -0.932 6829TIP3 OH226795 -3.348 3.119 -1.957 6829TIP3 H126796 -3.349 3.129 -2.054 6829TIP3 H226797 -3.344 3.211 -1.926 6830TIP3 OH226798 -3.976 3.031 -1.794 6830TIP3 H126799 -3.953 2.990 -1.708 6830TIP3 H226800 -4.056 2.980 -1.814 6831TIP3 OH226801 -3.019 3.061 -2.239 6831TIP3 H126802 -2.961 2.996 -2.283 6831TIP3 H226803 -3.024 3.023 -2.148 6832TIP3 OH226804 -3.080 3.003 -1.958 6832TIP3 H126805 -3.175 3.019 -1.945 6832TIP3 H226806 -3.066 2.931 -1.894 6833TIP3 OH226807 -2.771 1.954 -0.788 6833TIP3 H126808 -2.815 1.987 -0.867 6833TIP3 H226809 -2.755 1.860 -0.813 6834TIP3 OH226810 -4.071 2.615 -0.979 6834TIP3 H126811 -4.043 2.559 -0.904 6834TIP3 H226812 -4.146 2.565 -1.017 6835TIP3 OH226813 -3.748 1.465 -1.404 6835TIP3 H126814 -3.830 1.453 -1.454 6835TIP3 H226815 -3.775 1.535 -1.343 6836TIP3 OH226816 -3.308 1.420 -1.036 6836TIP3 H126817 -3.257 1.365 -0.973 6836TIP3 H226818 -3.399 1.386 -1.025 6837TIP3 OH226819 -2.990 1.796 -0.987 6837TIP3 H126820 -3.050 1.779 -0.912 6837TIP3 H226821 -2.998 1.892 -1.001 6838TIP3 OH226822 -2.893 2.293 -2.362 6838TIP3 H126823 -2.914 2.277 -2.455 6838TIP3 H226824 -2.800 2.320 -2.368 6839TIP3 OH226825 -3.330 1.672 -2.312 6839TIP3 H126826 -3.379 1.658 -2.229 6839TIP3 H226827 -3.370 1.604 -2.368 6840TIP3 OH226828 -3.759 1.943 -1.261 6840TIP3 H126829 -3.823 1.951 -1.188 6840TIP3 H226830 -3.757 2.034 -1.298 6841TIP3 OH226831 -3.769 1.949 -1.775 6841TIP3 H126832 -3.865 1.944 -1.792 6841TIP3 H226833 -3.735 1.931 -1.864 6842TIP3 OH226834 -3.207 2.007 -1.895 6842TIP3 H126835 -3.249 2.089 -1.930 6842TIP3 H226836 -3.139 1.990 -1.963 6843TIP3 OH226837 -3.282 2.023 -0.757 6843TIP3 H126838 -3.338 1.949 -0.724 6843TIP3 H226839 -3.197 2.003 -0.715 6844TIP3 OH226840 -3.117 1.947 -1.619 6844TIP3 H126841 -3.150 2.003 -1.692 6844TIP3 H226842 -3.099 1.865 -1.669 6845TIP3 OH226843 -4.017 1.956 -1.081 6845TIP3 H126844 -4.001 1.996 -0.994 6845TIP3 H226845 -4.054 1.869 -1.055 6846TIP3 OH226846 -3.687 1.718 -2.420 6846TIP3 H126847 -3.723 1.681 -2.337 6846TIP3 H226848 -3.766 1.731 -2.473 6847TIP3 OH226849 -4.312 1.711 -1.720 6847TIP3 H126850 -4.314 1.697 -1.624 6847TIP3 H226851 -4.273 1.629 -1.752 6848TIP3 OH226852 -4.214 1.776 -2.125 6848TIP3 H126853 -4.150 1.793 -2.197 6848TIP3 H226854 -4.298 1.791 -2.171 6849TIP3 OH226855 -3.206 2.113 -1.170 6849TIP3 H126856 -3.166 2.040 -1.223 6849TIP3 H226857 -3.247 2.065 -1.097 6850TIP3 OH226858 -3.490 1.710 -1.670 6850TIP3 H126859 -3.585 1.704 -1.648 6850TIP3 H226860 -3.449 1.687 -1.585 6851TIP3 OH226861 -4.037 1.835 -1.811 6851TIP3 H126862 -4.127 1.833 -1.846 6851TIP3 H226863 -4.001 1.751 -1.845 6852TIP3 OH226864 -3.671 1.862 -2.037 6852TIP3 H126865 -3.575 1.872 -2.030 6852TIP3 H226866 -3.697 1.926 -2.106 6853TIP3 OH226867 -3.051 1.622 -1.369 6853TIP3 H126868 -3.114 1.622 -1.294 6853TIP3 H226869 -3.108 1.587 -1.439 6854TIP3 OH226870 -3.825 1.990 -2.260 6854TIP3 H126871 -3.883 1.958 -2.330 6854TIP3 H226872 -3.743 2.009 -2.309 6855TIP3 OH226873 -2.750 3.199 -0.704 6855TIP3 H126874 -2.729 3.246 -0.786 6855TIP3 H226875 -2.682 3.232 -0.644 6856TIP3 OH226876 -3.952 2.462 -0.761 6856TIP3 H126877 -3.891 2.467 -0.684 6856TIP3 H226878 -4.038 2.471 -0.714 6857TIP3 OH226879 -3.387 1.965 -1.487 6857TIP3 H126880 -3.318 1.916 -1.535 6857TIP3 H226881 -3.407 1.903 -1.414 6858TIP3 OH226882 -3.874 1.599 -1.866 6858TIP3 H126883 -3.918 1.513 -1.859 6858TIP3 H226884 -3.790 1.575 -1.909 6859TIP3 OH226885 -3.489 1.812 -1.268 6859TIP3 H126886 -3.570 1.865 -1.263 6859TIP3 H226887 -3.444 1.832 -1.183 6860TIP3 OH226888 -3.479 2.448 -2.075 6860TIP3 H126889 -3.555 2.398 -2.110 6860TIP3 H226890 -3.498 2.452 -1.979 6861TIP3 OH226891 -2.736 2.371 -1.223 6861TIP3 H126892 -2.723 2.438 -1.292 6861TIP3 H226893 -2.829 2.347 -1.242 6862TIP3 OH226894 -3.062 1.731 -2.299 6862TIP3 H126895 -3.160 1.728 -2.301 6862TIP3 H226896 -3.043 1.803 -2.235 6863TIP3 OH226897 -3.309 2.450 -0.942 6863TIP3 H126898 -3.343 2.416 -0.858 6863TIP3 H226899 -3.343 2.541 -0.943 6864TIP3 OH226900 -2.994 1.913 -2.092 6864TIP3 H126901 -2.906 1.897 -2.053 6864TIP3 H226902 -2.983 2.001 -2.134 6865TIP3 OH226903 -3.974 2.381 -1.501 6865TIP3 H126904 -3.909 2.370 -1.573 6865TIP3 H226905 -3.964 2.298 -1.452 6866TIP3 OH226906 -3.238 2.583 -2.182 6866TIP3 H126907 -3.264 2.670 -2.144 6866TIP3 H226908 -3.313 2.528 -2.155 6867TIP3 OH226909 -4.238 2.230 -0.940 6867TIP3 H126910 -4.234 2.166 -0.867 6867TIP3 H226911 -4.284 2.178 -1.009 6868TIP3 OH226912 -3.540 2.164 -0.766 6868TIP3 H126913 -3.580 2.137 -0.850 6868TIP3 H226914 -3.447 2.138 -0.780 6869TIP3 OH226915 -3.086 2.706 -0.995 6869TIP3 H126916 -3.183 2.715 -1.002 6869TIP3 H226917 -3.071 2.733 -0.903 6870TIP3 OH226918 -2.535 1.911 -2.117 6870TIP3 H126919 -2.590 1.891 -2.195 6870TIP3 H226920 -2.523 2.007 -2.132 6871TIP3 OH226921 -2.491 2.513 -0.835 6871TIP3 H126922 -2.585 2.537 -0.855 6871TIP3 H226923 -2.455 2.505 -0.925 6872TIP3 OH226924 -2.714 2.773 -2.108 6872TIP3 H126925 -2.734 2.693 -2.057 6872TIP3 H226926 -2.661 2.739 -2.182 6873TIP3 OH226927 -2.984 2.305 -1.368 6873TIP3 H126928 -3.079 2.292 -1.390 6873TIP3 H226929 -2.945 2.230 -1.417 6874TIP3 OH226930 -3.726 2.715 -1.767 6874TIP3 H126931 -3.686 2.802 -1.778 6874TIP3 H226932 -3.819 2.733 -1.788 6875TIP3 OH226933 -4.155 2.211 -2.297 6875TIP3 H126934 -4.081 2.262 -2.257 6875TIP3 H226935 -4.228 2.270 -2.279 6876TIP3 OH226936 -3.542 2.484 -1.804 6876TIP3 H126937 -3.574 2.575 -1.790 6876TIP3 H226938 -3.614 2.433 -1.763 6877TIP3 OH226939 -3.526 2.910 -1.170 6877TIP3 H126940 -3.471 2.985 -1.198 6877TIP3 H226941 -3.465 2.862 -1.111 6878TIP3 OH226942 -3.681 3.005 -1.845 6878TIP3 H126943 -3.777 3.018 -1.837 6878TIP3 H226944 -3.647 3.093 -1.821 6879TIP3 OH226945 -3.185 2.484 -1.212 6879TIP3 H126946 -3.217 2.460 -1.124 6879TIP3 H226947 -3.113 2.421 -1.226 6880TIP3 OH226948 -2.968 2.615 -2.321 6880TIP3 H126949 -2.927 2.569 -2.245 6880TIP3 H226950 -3.062 2.602 -2.297 6881TIP3 OH226951 -2.889 2.941 -0.976 6881TIP3 H126952 -2.967 2.898 -1.015 6881TIP3 H226953 -2.882 3.023 -1.028 6882TIP3 OH226954 -2.496 3.041 -2.267 6882TIP3 H126955 -2.425 3.105 -2.288 6882TIP3 H226956 -2.572 3.102 -2.267 6883TIP3 OH226957 -4.103 1.690 -0.996 6883TIP3 H126958 -4.185 1.715 -1.043 6883TIP3 H226959 -4.122 1.601 -0.962 6884TIP3 OH226960 -2.872 2.478 -2.081 6884TIP3 H126961 -2.900 2.405 -2.023 6884TIP3 H226962 -2.775 2.474 -2.073 6885TIP3 OH226963 -4.127 2.857 -1.161 6885TIP3 H126964 -4.109 2.762 -1.149 6885TIP3 H226965 -4.097 2.892 -1.076 6886TIP3 OH226966 -3.544 2.720 -2.463 6886TIP3 H126967 -3.516 2.641 -2.512 6886TIP3 H226968 -3.587 2.680 -2.385 6887TIP3 OH226969 -3.662 2.672 -2.192 6887TIP3 H126970 -3.611 2.619 -2.128 6887TIP3 H226971 -3.647 2.763 -2.159 6888TIP3 OH226972 -3.987 2.414 -2.159 6888TIP3 H126973 -4.057 2.453 -2.101 6888TIP3 H226974 -3.938 2.494 -2.181 6889TIP3 OH226975 -3.209 1.666 -1.146 6889TIP3 H126976 -3.143 1.685 -1.078 6889TIP3 H226977 -3.258 1.590 -1.108 6890TIP3 OH226978 -3.146 1.607 -2.024 6890TIP3 H126979 -3.128 1.660 -2.103 6890TIP3 H226980 -3.101 1.657 -1.954 6891TIP3 OH226981 -3.365 2.834 -2.128 6891TIP3 H126982 -3.447 2.883 -2.111 6891TIP3 H226983 -3.330 2.881 -2.205 6892TIP3 OH226984 -3.405 1.806 -1.929 6892TIP3 H126985 -3.329 1.867 -1.915 6892TIP3 H226986 -3.434 1.790 -1.837 6893TIP3 OH226987 -3.369 1.896 -1.012 6893TIP3 H126988 -3.360 1.948 -0.931 6893TIP3 H226989 -3.313 1.820 -0.996 6894TIP3 OH226990 -3.346 1.508 -1.835 6894TIP3 H126991 -3.365 1.577 -1.769 6894TIP3 H226992 -3.273 1.550 -1.886 6895TIP3 OH226993 -3.644 2.942 -2.129 6895TIP3 H126994 -3.652 3.023 -2.183 6895TIP3 H226995 -3.658 2.977 -2.039 6896TIP3 OH226996 -3.774 1.610 -2.178 6896TIP3 H126997 -3.766 1.689 -2.122 6896TIP3 H226998 -3.693 1.561 -2.153 6897TIP3 OH226999 -2.725 1.710 -0.914 6897TIP3 H127000 -2.820 1.703 -0.932 6897TIP3 H227001 -2.691 1.660 -0.990 6898TIP3 OH227002 -2.884 2.078 -1.519 6898TIP3 H127003 -2.968 2.037 -1.546 6898TIP3 H227004 -2.839 2.003 -1.474 6899TIP3 OH227005 -3.931 2.699 -2.276 6899TIP3 H127006 -3.855 2.742 -2.234 6899TIP3 H227007 -3.885 2.643 -2.340 6900TIP3 OH227008 -4.114 1.911 -2.359 6900TIP3 H127009 -4.106 2.006 -2.339 6900TIP3 H227010 -4.194 1.905 -2.411 6901TIP3 OH227011 -2.783 2.962 -1.385 6901TIP3 H127012 -2.808 3.042 -1.436 6901TIP3 H227013 -2.693 2.987 -1.358 6902TIP3 OH227014 -4.023 1.409 -1.489 6902TIP3 H127015 -4.059 1.407 -1.579 6902TIP3 H227016 -4.067 1.330 -1.449 6903TIP3 OH227017 -4.136 2.774 -1.860 6903TIP3 H127018 -4.226 2.810 -1.853 6903TIP3 H227019 -4.104 2.817 -1.941 6904TIP3 OH227020 -4.213 3.053 -0.738 6904TIP3 H127021 -4.151 3.052 -0.664 6904TIP3 H227022 -4.217 2.957 -0.752 6905TIP3 OH227023 -3.724 2.965 -0.565 6905TIP3 H127024 -3.657 2.899 -0.545 6905TIP3 H227025 -3.750 2.939 -0.654 6906TIP3 OH227026 -3.322 2.890 -2.412 6906TIP3 H127027 -3.398 2.829 -2.423 6906TIP3 H227028 -3.252 2.836 -2.451 6907TIP3 OH227029 -3.077 2.790 -0.709 6907TIP3 H127030 -3.119 2.711 -0.669 6907TIP3 H227031 -3.011 2.814 -0.642 6908TIP3 OH227032 -2.860 2.881 -2.402 6908TIP3 H127033 -2.844 2.800 -2.352 6908TIP3 H227034 -2.782 2.887 -2.459 6909TIP3 OH227035 -4.199 2.454 -0.677 6909TIP3 H127036 -4.190 2.366 -0.715 6909TIP3 H227037 -4.287 2.481 -0.707 6910TIP3 OH227038 -3.781 2.463 -2.429 6910TIP3 H127039 -3.762 2.405 -2.353 6910TIP3 H227040 -3.695 2.461 -2.476 6911TIP3 OH227041 -3.537 2.441 -0.698 6911TIP3 H127042 -3.570 2.474 -0.783 6911TIP3 H227043 -3.532 2.344 -0.713 6912TIP3 OH227044 -3.256 2.596 -2.468 6912TIP3 H127045 -3.261 2.592 -2.371 6912TIP3 H227046 -3.261 2.501 -2.489 6913TIP3 OH227047 -2.999 2.401 -0.960 6913TIP3 H127048 -2.925 2.463 -0.970 6913TIP3 H227049 -3.074 2.462 -0.959 6914TIP3 OH227050 -4.134 2.129 -0.698 6914TIP3 H127051 -4.056 2.072 -0.710 6914TIP3 H227052 -4.124 2.157 -0.605 6915TIP3 OH227053 -3.674 2.273 -2.195 6915TIP3 H127054 -3.735 2.223 -2.139 6915TIP3 H227055 -3.644 2.204 -2.258 6916TIP3 OH227056 -3.747 2.051 -0.964 6916TIP3 H127057 -3.807 2.127 -0.953 6916TIP3 H227058 -3.687 2.083 -1.034 6917TIP3 OH227059 -3.576 2.074 -2.370 6917TIP3 H127060 -3.579 2.083 -2.467 6917TIP3 H227061 -3.480 2.070 -2.354 6918TIP3 OH227062 -3.219 2.320 -0.615 6918TIP3 H127063 -3.129 2.301 -0.645 6918TIP3 H227064 -3.246 2.235 -0.577 6919TIP3 OH227065 -2.625 2.325 -2.437 6919TIP3 H127066 -2.634 2.283 -2.524 6919TIP3 H227067 -2.635 2.419 -2.461 6920TIP3 OH227068 -3.687 1.780 -0.854 6920TIP3 H127069 -3.684 1.712 -0.924 6920TIP3 H227070 -3.710 1.859 -0.906 6921TIP3 OH227071 -3.657 1.626 -1.110 6921TIP3 H127072 -3.607 1.676 -1.176 6921TIP3 H227073 -3.749 1.627 -1.146 6922TIP3 OH227074 -3.497 2.171 -1.069 6922TIP3 H127075 -3.417 2.163 -1.122 6922TIP3 H227076 -3.533 2.256 -1.101 6923TIP3 OH227077 -3.044 1.941 -0.579 6923TIP3 H127078 -3.016 1.849 -0.596 6923TIP3 H227079 -2.959 1.988 -0.585 6924TIP3 OH227080 -2.949 2.242 -0.739 6924TIP3 H127081 -2.981 2.302 -0.810 6924TIP3 H227082 -2.862 2.218 -0.775 6925TIP3 OH227083 -3.875 1.966 -0.676 6925TIP3 H127084 -3.929 1.884 -0.677 6925TIP3 H227085 -3.797 1.937 -0.725 6926TIP3 OH227086 -3.583 1.358 -1.077 6926TIP3 H127087 -3.604 1.453 -1.092 6926TIP3 H227088 -3.654 1.315 -1.129 6927TIP3 OH227089 -3.457 1.815 -0.691 6927TIP3 H127090 -3.502 1.792 -0.608 6927TIP3 H227091 -3.530 1.795 -0.754 6928TIP3 OH227092 -3.196 1.716 -0.804 6928TIP3 H127093 -3.289 1.718 -0.776 6928TIP3 H227094 -3.158 1.658 -0.736 6929TIP3 OH227095 -3.027 1.602 -0.564 6929TIP3 H127096 -3.026 1.508 -0.591 6929TIP3 H227097 -3.095 1.603 -0.495 6930TIP3 OH227098 -4.008 1.712 -0.694 6930TIP3 H127099 -4.016 1.640 -0.758 6930TIP3 H227100 -4.031 1.667 -0.611 6931TIP3 OH227101 -3.594 1.312 -0.791 6931TIP3 H127102 -3.541 1.231 -0.786 6931TIP3 H227103 -3.601 1.323 -0.888 6932TIP3 OH227104 -3.494 1.503 -0.610 6932TIP3 H127105 -3.523 1.438 -0.677 6932TIP3 H227106 -3.572 1.559 -0.600 6933TIP3 OH227107 -3.600 3.198 -2.260 6933TIP3 H127108 -3.504 3.208 -2.249 6933TIP3 H227109 -3.613 3.241 -2.345 6934TIP3 OH227110 -4.199 2.687 -2.353 6934TIP3 H127111 -4.122 2.682 -2.293 6934TIP3 H227112 -4.217 2.594 -2.373 6935TIP3 OH227113 -4.273 2.964 -1.640 6935TIP3 H127114 -4.276 2.876 -1.599 6935TIP3 H227115 -4.244 3.016 -1.564 6936TIP3 OH227116 -2.517 3.081 -1.335 6936TIP3 H127117 -2.499 3.081 -1.239 6936TIP3 H227118 -2.433 3.116 -1.368 6937TIP3 OH227119 -2.527 3.030 -1.045 6937TIP3 H127120 -2.575 2.954 -1.082 6937TIP3 H227121 -2.469 2.985 -0.981 6938TIP3 OH227122 -2.726 2.571 -0.617 6938TIP3 H127123 -2.815 2.581 -0.578 6938TIP3 H227124 -2.680 2.651 -0.586 6939TIP3 OH227125 -2.588 2.461 -2.042 6939TIP3 H127126 -2.497 2.496 -2.029 6939TIP3 H227127 -2.593 2.397 -1.970 6940TIP3 OH227128 -2.534 2.257 -1.838 6940TIP3 H127129 -2.607 2.201 -1.805 6940TIP3 H227130 -2.476 2.264 -1.760 6941TIP3 OH227131 -2.700 2.793 -1.120 6941TIP3 H127132 -2.767 2.843 -1.071 6941TIP3 H227133 -2.748 2.768 -1.201 6942TIP3 OH227134 -2.517 2.203 -2.186 6942TIP3 H127135 -2.566 2.229 -2.266 6942TIP3 H227136 -2.527 2.282 -2.132 6943TIP3 OH227137 -2.686 1.958 -2.361 6943TIP3 H127138 -2.662 2.018 -2.433 6943TIP3 H227139 -2.711 1.877 -2.409 6944TIP3 OH227140 -2.743 2.073 -1.764 6944TIP3 H127141 -2.750 1.978 -1.783 6944TIP3 H227142 -2.784 2.079 -1.675 6945TIP3 OH227143 -4.263 2.308 -1.373 6945TIP3 H127144 -4.236 2.324 -1.465 6945TIP3 H227145 -4.179 2.277 -1.334 6946TIP3 OH227146 -2.681 2.260 -0.852 6946TIP3 H127147 -2.610 2.196 -0.831 6946TIP3 H227148 -2.633 2.343 -0.861 6947TIP3 OH227149 -2.523 2.059 -0.741 6947TIP3 H127150 -2.607 2.011 -0.753 6947TIP3 H227151 -2.460 1.985 -0.737 6948TIP3 OH227152 -2.740 1.693 -2.441 6948TIP3 H127153 -2.682 1.643 -2.381 6948TIP3 H227154 -2.820 1.639 -2.447 6949TIP3 OH227155 -2.758 1.822 -1.945 6949TIP3 H127156 -2.736 1.727 -1.940 6949TIP3 H227157 -2.678 1.856 -1.988 6950TIP3 OH227158 -2.732 1.876 -1.401 6950TIP3 H127159 -2.634 1.883 -1.402 6950TIP3 H227160 -2.747 1.872 -1.306 6951TIP3 OH227161 -2.714 1.957 -1.121 6951TIP3 H127162 -2.802 1.988 -1.093 6951TIP3 H227163 -2.668 2.040 -1.140 6952TIP3 OH227164 -4.280 1.819 -0.740 6952TIP3 H127165 -4.197 1.776 -0.765 6952TIP3 H227166 -4.346 1.748 -0.742 6953TIP3 OH227167 -2.712 1.542 -1.949 6953TIP3 H127168 -2.701 1.507 -1.859 6953TIP3 H227169 -2.792 1.492 -1.979 6954TIP3 OH227170 -4.196 1.674 -1.436 6954TIP3 H127171 -4.166 1.583 -1.445 6954TIP3 H227172 -4.113 1.724 -1.428 6955TIP3 OH227173 -4.348 1.957 -1.377 6955TIP3 H127174 -4.326 1.883 -1.436 6955TIP3 H227175 -4.281 2.021 -1.400 6956TIP3 OH227176 -2.515 1.590 -2.282 6956TIP3 H127177 -2.485 1.510 -2.327 6956TIP3 H227178 -2.433 1.642 -2.275 6957TIP3 OH227179 -4.313 1.542 -2.013 6957TIP3 H127180 -4.400 1.572 -2.045 6957TIP3 H227181 -4.256 1.617 -2.038 6958TIP3 OH227182 -2.827 3.086 -1.753 6958TIP3 H127183 -2.781 3.066 -1.836 6958TIP3 H227184 -2.759 3.131 -1.702 6959TIP3 OH227185 -4.296 1.430 -1.176 6959TIP3 H127186 -4.360 1.431 -1.101 6959TIP3 H227187 -4.332 1.495 -1.239 6960TIP3 OH227188 -4.116 2.794 -0.703 6960TIP3 H127189 -4.170 2.733 -0.755 6960TIP3 H227190 -4.132 2.760 -0.612 6961TIP3 OH227191 -3.801 2.860 -1.112 6961TIP3 H127192 -3.834 2.943 -1.150 6961TIP3 H227193 -3.706 2.869 -1.131 6962TIP3 OH227194 -3.351 2.988 -0.813 6962TIP3 H127195 -3.338 2.973 -0.718 6962TIP3 H227196 -3.268 3.035 -0.837 6963TIP3 OH227197 -3.122 3.135 -0.889 6963TIP3 H127198 -3.054 3.070 -0.909 6963TIP3 H227199 -3.093 3.167 -0.802 6964TIP3 OH227200 -2.620 1.417 -0.980 6964TIP3 H127201 -2.701 1.435 -1.029 6964TIP3 H227202 -2.594 1.332 -1.016 6965TIP3 OH227203 -4.069 3.165 -1.089 6965TIP3 H127204 -4.139 3.214 -1.137 6965TIP3 H227205 -4.101 3.173 -0.998 6966TIP3 OH227206 -3.818 3.132 -1.224 6966TIP3 H127207 -3.905 3.150 -1.183 6966TIP3 H227208 -3.815 3.199 -1.295 6967TIP3 OH227209 -3.340 3.132 -1.270 6967TIP3 H127210 -3.380 3.176 -1.347 6967TIP3 H227211 -3.333 3.206 -1.207 6968TIP3 OH227212 -3.108 3.002 -1.179 6968TIP3 H127213 -3.193 3.039 -1.210 6968TIP3 H227214 -3.052 3.081 -1.179 6969TIP3 OH227215 -2.855 3.175 -1.160 6969TIP3 H127216 -2.860 3.272 -1.177 6969TIP3 H227217 -2.827 3.144 -1.247 6970TIP3 OH227218 -4.125 3.041 -1.391 6970TIP3 H127219 -4.135 2.995 -1.305 6970TIP3 H227220 -4.049 2.992 -1.429 6971TIP3 OH227221 -3.909 2.913 -1.541 6971TIP3 H127222 -3.927 2.821 -1.513 6971TIP3 H227223 -3.820 2.928 -1.507 6972TIP3 OH227224 -3.628 2.956 -1.454 6972TIP3 H127225 -3.613 2.862 -1.476 6972TIP3 H227226 -3.624 2.953 -1.358 6973TIP3 OH227227 -3.297 1.545 -1.523 6973TIP3 H127228 -3.366 1.477 -1.507 6973TIP3 H227229 -3.237 1.497 -1.583 6974TIP3 OH227230 -2.796 1.351 -1.477 6974TIP3 H127231 -2.725 1.397 -1.526 6974TIP3 H227232 -2.875 1.372 -1.529 6975TIP3 OH227233 -2.593 1.455 -1.692 6975TIP3 H127234 -2.520 1.415 -1.742 6975TIP3 H227235 -2.561 1.546 -1.679 6976TIP3 OH227236 -4.106 1.403 -1.773 6976TIP3 H127237 -4.181 1.371 -1.825 6976TIP3 H227238 -4.045 1.327 -1.779 6977TIP3 OH227239 -4.184 1.363 -2.192 6977TIP3 H127240 -4.131 1.430 -2.239 6977TIP3 H227241 -4.233 1.418 -2.128 6978TIP3 OH227242 -3.616 1.402 -1.779 6978TIP3 H127243 -3.523 1.427 -1.793 6978TIP3 H227244 -3.618 1.389 -1.684 6979TIP3 OH227245 -3.055 1.402 -1.638 6979TIP3 H127246 -3.029 1.384 -1.729 6979TIP3 H227247 -3.095 1.317 -1.612 6980TIP3 OH227248 -2.944 1.402 -2.042 6980TIP3 H127249 -3.027 1.452 -2.055 6980TIP3 H227250 -2.979 1.313 -2.024 6981TIP3 OH227251 -4.189 2.965 -2.084 6981TIP3 H127252 -4.249 2.947 -2.156 6981TIP3 H227253 -4.183 3.062 -2.086 6982TIP3 OH227254 -4.005 1.553 -2.335 6982TIP3 H127255 -3.948 1.493 -2.385 6982TIP3 H227256 -3.944 1.582 -2.265 6983TIP3 OH227257 -3.498 1.566 -2.075 6983TIP3 H127258 -3.466 1.507 -2.006 6983TIP3 H227259 -3.478 1.652 -2.035 6984TIP3 OH227260 -3.295 3.143 -2.251 6984TIP3 H127261 -3.198 3.145 -2.256 6984TIP3 H227262 -3.315 3.078 -2.320 6985TIP3 OH227263 -2.647 3.046 -1.992 6985TIP3 H127264 -2.668 2.963 -2.037 6985TIP3 H227265 -2.646 3.109 -2.066 6986TIP3 OH227266 -4.079 1.443 -0.816 6986TIP3 H127267 -4.125 1.367 -0.778 6986TIP3 H227268 -3.988 1.426 -0.787 6987TIP3 OH227269 -3.842 1.380 -0.639 6987TIP3 H127270 -3.761 1.342 -0.680 6987TIP3 H227271 -3.878 1.301 -0.595 6988TIP3 OH227272 -4.012 3.065 -2.386 6988TIP3 H127273 -4.040 3.082 -2.295 6988TIP3 H227274 -3.941 2.999 -2.373 6989TIP3 OH227275 -3.012 1.322 -0.621 6989TIP3 H127276 -3.016 1.264 -0.543 6989TIP3 H227277 -2.924 1.297 -0.658 6990TIP3 OH227278 -2.694 2.922 -0.756 6990TIP3 H127279 -2.769 2.904 -0.816 6990TIP3 H227280 -2.710 3.016 -0.734 6991TIP3 OH227281 -1.275 2.290 -1.741 6991TIP3 H127282 -1.275 2.386 -1.730 6991TIP3 H227283 -1.352 2.278 -1.799 6992TIP3 OH227284 -1.391 2.234 -1.433 6992TIP3 H127285 -1.389 2.176 -1.355 6992TIP3 H227286 -1.416 2.172 -1.503 6993TIP3 OH227287 -2.167 2.201 -1.276 6993TIP3 H127288 -2.168 2.123 -1.218 6993TIP3 H227289 -2.091 2.249 -1.240 6994TIP3 OH227290 -1.021 2.507 -1.602 6994TIP3 H127291 -1.059 2.437 -1.547 6994TIP3 H227292 -0.994 2.572 -1.535 6995TIP3 OH227293 -2.079 2.644 -1.422 6995TIP3 H127294 -2.063 2.550 -1.442 6995TIP3 H227295 -1.990 2.666 -1.387 6996TIP3 OH227296 -2.379 2.005 -1.875 6996TIP3 H127297 -2.427 2.089 -1.877 6996TIP3 H227298 -2.443 1.945 -1.916 6997TIP3 OH227299 -2.316 2.266 -1.644 6997TIP3 H127300 -2.303 2.176 -1.608 6997TIP3 H227301 -2.251 2.266 -1.715 6998TIP3 OH227302 -1.324 3.036 -1.549 6998TIP3 H127303 -1.255 2.974 -1.578 6998TIP3 H227304 -1.340 3.009 -1.458 6999TIP3 OH227305 -1.541 2.485 -1.377 6999TIP3 H127306 -1.508 2.413 -1.433 6999TIP3 H227307 -1.459 2.502 -1.326 7000TIP3 OH227308 -0.685 1.638 -1.281 7000TIP3 H127309 -0.647 1.690 -1.210 7000TIP3 H227310 -0.622 1.653 -1.352 7001TIP3 OH227311 -1.217 1.919 -1.327 7001TIP3 H127312 -1.189 1.826 -1.322 7001TIP3 H227313 -1.220 1.933 -1.423 7002TIP3 OH227314 -1.916 1.732 -1.626 7002TIP3 H127315 -1.902 1.816 -1.675 7002TIP3 H227316 -1.953 1.678 -1.698 7003TIP3 OH227317 -1.128 1.735 -1.788 7003TIP3 H127318 -1.071 1.694 -1.718 7003TIP3 H227319 -1.061 1.780 -1.841 7004TIP3 OH227320 -2.248 1.993 -1.569 7004TIP3 H127321 -2.184 1.942 -1.516 7004TIP3 H227322 -2.240 1.947 -1.655 7005TIP3 OH227323 -1.713 2.132 -1.616 7005TIP3 H127324 -1.639 2.079 -1.581 7005TIP3 H227325 -1.759 2.067 -1.672 7006TIP3 OH227326 -2.039 1.632 -1.195 7006TIP3 H127327 -2.063 1.693 -1.267 7006TIP3 H227328 -2.114 1.642 -1.135 7007TIP3 OH227329 -1.286 2.573 -1.863 7007TIP3 H127330 -1.314 2.555 -1.954 7007TIP3 H227331 -1.328 2.659 -1.845 7008TIP3 OH227332 -1.741 2.387 -1.191 7008TIP3 H127333 -1.814 2.447 -1.167 7008TIP3 H227334 -1.677 2.447 -1.234 7009TIP3 OH227335 -0.948 1.661 -1.582 7009TIP3 H127336 -0.978 1.593 -1.519 7009TIP3 H227337 -0.893 1.716 -1.523 7010TIP3 OH227338 -2.073 1.803 -1.413 7010TIP3 H127339 -2.010 1.862 -1.367 7010TIP3 H227340 -2.019 1.776 -1.490 7011TIP3 OH227341 -1.946 2.575 -1.125 7011TIP3 H127342 -1.944 2.670 -1.145 7011TIP3 H227343 -2.027 2.570 -1.071 7012TIP3 OH227344 -2.314 2.546 -2.027 7012TIP3 H127345 -2.328 2.590 -2.113 7012TIP3 H227346 -2.295 2.620 -1.967 7013TIP3 OH227347 -0.965 2.690 -1.354 7013TIP3 H127348 -1.061 2.701 -1.352 7013TIP3 H227349 -0.937 2.776 -1.389 7014TIP3 OH227350 -1.634 1.332 -1.487 7014TIP3 H127351 -1.653 1.238 -1.474 7014TIP3 H227352 -1.717 1.375 -1.457 7015TIP3 OH227353 -1.133 2.882 -1.695 7015TIP3 H127354 -1.083 2.806 -1.729 7015TIP3 H227355 -1.069 2.955 -1.709 7016TIP3 OH227356 -0.987 2.666 -1.836 7016TIP3 H127357 -1.043 2.623 -1.902 7016TIP3 H227358 -0.996 2.605 -1.760 7017TIP3 OH227359 -0.842 2.547 -0.987 7017TIP3 H127360 -0.849 2.485 -1.061 7017TIP3 H227361 -0.830 2.633 -1.032 7018TIP3 OH227362 -1.413 2.242 -2.016 7018TIP3 H127363 -1.477 2.305 -2.054 7018TIP3 H227364 -1.339 2.250 -2.079 7019TIP3 OH227365 -1.379 2.053 -2.307 7019TIP3 H127366 -1.312 2.091 -2.247 7019TIP3 H227367 -1.323 2.007 -2.370 7020TIP3 OH227368 -0.641 2.183 -1.173 7020TIP3 H127369 -0.726 2.232 -1.176 7020TIP3 H227370 -0.605 2.205 -1.261 7021TIP3 OH227371 -1.059 2.241 -1.908 7021TIP3 H127372 -1.126 2.264 -1.840 7021TIP3 H227373 -0.998 2.186 -1.855 7022TIP3 OH227374 -1.069 2.088 -1.003 7022TIP3 H127375 -1.060 2.173 -0.958 7022TIP3 H227376 -1.131 2.112 -1.074 7023TIP3 OH227377 -1.907 2.319 -1.725 7023TIP3 H127378 -1.933 2.278 -1.810 7023TIP3 H227379 -1.837 2.257 -1.695 7024TIP3 OH227380 -1.768 2.654 -1.455 7024TIP3 H127381 -1.770 2.623 -1.546 7024TIP3 H227382 -1.686 2.614 -1.422 7025TIP3 OH227383 -1.854 2.203 -1.378 7025TIP3 H127384 -1.795 2.199 -1.456 7025TIP3 H227385 -1.807 2.264 -1.318 7026TIP3 OH227386 -1.247 2.751 -1.323 7026TIP3 H127387 -1.244 2.820 -1.255 7026TIP3 H227388 -1.267 2.670 -1.273 7027TIP3 OH227389 -1.757 2.633 -0.894 7027TIP3 H127390 -1.809 2.702 -0.849 7027TIP3 H227391 -1.819 2.606 -0.964 7028TIP3 OH227392 -1.164 2.187 -2.162 7028TIP3 H127393 -1.117 2.215 -2.081 7028TIP3 H227394 -1.114 2.238 -2.231 7029TIP3 OH227395 -2.066 2.276 -0.992 7029TIP3 H127396 -2.057 2.326 -0.909 7029TIP3 H227397 -2.161 2.256 -0.993 7030TIP3 OH227398 -1.414 2.848 -1.805 7030TIP3 H127399 -1.368 2.876 -1.724 7030TIP3 H227400 -1.476 2.921 -1.820 7031TIP3 OH227401 -1.943 2.845 -0.818 7031TIP3 H127402 -1.958 2.857 -0.913 7031TIP3 H227403 -2.033 2.825 -0.783 7032TIP3 OH227404 -0.824 1.362 -2.217 7032TIP3 H127405 -0.906 1.373 -2.167 7032TIP3 H227406 -0.783 1.450 -2.209 7033TIP3 OH227407 -2.008 2.196 -1.978 7033TIP3 H127408 -2.028 2.271 -2.038 7033TIP3 H227409 -2.072 2.130 -2.008 7034TIP3 OH227410 -0.681 2.774 -2.359 7034TIP3 H127411 -0.667 2.868 -2.336 7034TIP3 H227412 -0.594 2.735 -2.337 7035TIP3 OH227413 -2.398 2.453 -1.145 7035TIP3 H127414 -2.479 2.425 -1.190 7035TIP3 H227415 -2.376 2.372 -1.097 7036TIP3 OH227416 -0.560 2.813 -0.838 7036TIP3 H127417 -0.572 2.717 -0.848 7036TIP3 H227418 -0.649 2.838 -0.803 7037TIP3 OH227419 -1.491 2.736 -0.952 7037TIP3 H127420 -1.482 2.820 -0.902 7037TIP3 H227421 -1.582 2.709 -0.930 7038TIP3 OH227422 -2.081 3.028 -1.800 7038TIP3 H127423 -2.067 2.991 -1.711 7038TIP3 H227424 -2.170 2.997 -1.821 7039TIP3 OH227425 -1.124 3.064 -2.241 7039TIP3 H127426 -1.072 2.993 -2.283 7039TIP3 H227427 -1.139 3.030 -2.151 7040TIP3 OH227428 -1.200 3.004 -1.963 7040TIP3 H127429 -1.293 3.027 -1.949 7040TIP3 H227430 -1.187 2.937 -1.894 7041TIP3 OH227431 -2.181 2.614 -0.977 7041TIP3 H127432 -2.153 2.568 -0.895 7041TIP3 H227433 -2.248 2.556 -1.014 7042TIP3 OH227434 -1.864 1.476 -1.422 7042TIP3 H127435 -1.945 1.426 -1.432 7042TIP3 H227436 -1.896 1.567 -1.413 7043TIP3 OH227437 -1.431 1.396 -1.016 7043TIP3 H127438 -1.379 1.369 -0.938 7043TIP3 H227439 -1.516 1.356 -0.995 7044TIP3 OH227440 -1.144 1.790 -0.962 7044TIP3 H127441 -1.145 1.772 -0.867 7044TIP3 H227442 -1.111 1.882 -0.967 7045TIP3 OH227443 -1.008 2.291 -2.362 7045TIP3 H127444 -1.028 2.277 -2.457 7045TIP3 H227445 -0.915 2.321 -2.366 7046TIP3 OH227446 -1.452 1.646 -2.326 7046TIP3 H127447 -1.495 1.668 -2.242 7046TIP3 H227448 -1.507 1.572 -2.353 7047TIP3 OH227449 -1.881 1.939 -1.265 7047TIP3 H127450 -1.934 1.949 -1.184 7047TIP3 H227451 -1.871 2.031 -1.296 7048TIP3 OH227452 -1.882 1.958 -1.780 7048TIP3 H127453 -1.978 1.950 -1.798 7048TIP3 H227454 -1.846 1.935 -1.868 7049TIP3 OH227455 -1.323 2.006 -1.897 7049TIP3 H127456 -1.363 2.089 -1.931 7049TIP3 H227457 -1.253 1.991 -1.963 7050TIP3 OH227458 -1.404 2.027 -0.753 7050TIP3 H127459 -1.451 1.944 -0.728 7050TIP3 H227460 -1.316 2.012 -0.715 7051TIP3 OH227461 -1.236 1.946 -1.618 7051TIP3 H127462 -1.264 2.003 -1.692 7051TIP3 H227463 -1.213 1.865 -1.668 7052TIP3 OH227464 -2.145 1.944 -1.084 7052TIP3 H127465 -2.115 1.977 -0.998 7052TIP3 H227466 -2.214 1.880 -1.059 7053TIP3 OH227467 -1.790 1.694 -2.421 7053TIP3 H127468 -1.833 1.663 -2.339 7053TIP3 H227469 -1.865 1.727 -2.471 7054TIP3 OH227470 -2.447 1.711 -1.708 7054TIP3 H127471 -2.386 1.686 -1.635 7054TIP3 H227472 -2.409 1.666 -1.785 7055TIP3 OH227473 -2.297 1.748 -2.143 7055TIP3 H127474 -2.243 1.796 -2.209 7055TIP3 H227475 -2.368 1.812 -2.126 7056TIP3 OH227476 -1.320 2.115 -1.167 7056TIP3 H127477 -1.278 2.043 -1.219 7056TIP3 H227478 -1.353 2.066 -1.090 7057TIP3 OH227479 -1.605 1.706 -1.671 7057TIP3 H127480 -1.699 1.706 -1.650 7057TIP3 H227481 -1.565 1.687 -1.584 7058TIP3 OH227482 -2.144 1.832 -1.810 7058TIP3 H127483 -2.229 1.854 -1.852 7058TIP3 H227484 -2.119 1.748 -1.853 7059TIP3 OH227485 -1.784 1.864 -2.035 7059TIP3 H127486 -1.687 1.875 -2.030 7059TIP3 H227487 -1.811 1.921 -2.108 7060TIP3 OH227488 -1.168 1.618 -1.369 7060TIP3 H127489 -1.237 1.630 -1.301 7060TIP3 H227490 -1.222 1.588 -1.444 7061TIP3 OH227491 -1.936 1.982 -2.259 7061TIP3 H127492 -1.997 1.961 -2.333 7061TIP3 H227493 -1.857 2.008 -2.309 7062TIP3 OH227494 -0.865 3.199 -0.702 7062TIP3 H127495 -0.844 3.246 -0.785 7062TIP3 H227496 -0.795 3.232 -0.643 7063TIP3 OH227497 -2.073 2.462 -0.759 7063TIP3 H127498 -2.007 2.474 -0.688 7063TIP3 H227499 -2.154 2.459 -0.704 7064TIP3 OH227500 -1.505 1.961 -1.492 7064TIP3 H127501 -1.428 1.921 -1.535 7064TIP3 H227502 -1.519 1.902 -1.415 7065TIP3 OH227503 -1.985 1.595 -1.870 7065TIP3 H127504 -2.033 1.515 -1.844 7065TIP3 H227505 -1.905 1.560 -1.910 7066TIP3 OH227506 -1.603 1.809 -1.264 7066TIP3 H127507 -1.683 1.865 -1.263 7066TIP3 H227508 -1.557 1.837 -1.182 7067TIP3 OH227509 -1.594 2.449 -2.077 7067TIP3 H127510 -1.671 2.399 -2.111 7067TIP3 H227511 -1.613 2.453 -1.980 7068TIP3 OH227512 -0.869 2.360 -1.201 7068TIP3 H127513 -0.819 2.414 -1.265 7068TIP3 H227514 -0.955 2.350 -1.248 7069TIP3 OH227515 -1.183 1.729 -2.297 7069TIP3 H127516 -1.281 1.730 -2.303 7069TIP3 H227517 -1.162 1.803 -2.237 7070TIP3 OH227518 -1.431 2.447 -0.944 7070TIP3 H127519 -1.457 2.418 -0.856 7070TIP3 H227520 -1.457 2.540 -0.944 7071TIP3 OH227521 -1.109 1.911 -2.096 7071TIP3 H127522 -1.022 1.895 -2.054 7071TIP3 H227523 -1.098 2.001 -2.134 7072TIP3 OH227524 -2.088 2.388 -1.500 7072TIP3 H127525 -2.021 2.375 -1.571 7072TIP3 H227526 -2.079 2.303 -1.452 7073TIP3 OH227527 -1.352 2.580 -2.180 7073TIP3 H127528 -1.378 2.668 -2.146 7073TIP3 H227529 -1.429 2.527 -2.155 7074TIP3 OH227530 -2.353 2.218 -0.964 7074TIP3 H127531 -2.337 2.175 -0.877 7074TIP3 H227532 -2.411 2.154 -1.008 7075TIP3 OH227533 -1.654 2.172 -0.769 7075TIP3 H127534 -1.689 2.144 -0.855 7075TIP3 H227535 -1.564 2.136 -0.774 7076TIP3 OH227536 -1.201 2.702 -0.996 7076TIP3 H127537 -1.297 2.716 -1.002 7076TIP3 H227538 -1.183 2.731 -0.905 7077TIP3 OH227539 -0.650 1.912 -2.117 7077TIP3 H127540 -0.705 1.892 -2.195 7077TIP3 H227541 -0.638 2.008 -2.132 7078TIP3 OH227542 -0.608 2.512 -0.845 7078TIP3 H127543 -0.702 2.534 -0.861 7078TIP3 H227544 -0.576 2.503 -0.937 7079TIP3 OH227545 -0.831 2.773 -2.110 7079TIP3 H127546 -0.850 2.696 -2.055 7079TIP3 H227547 -0.775 2.736 -2.180 7080TIP3 OH227548 -1.102 2.307 -1.372 7080TIP3 H127549 -1.196 2.291 -1.395 7080TIP3 H227550 -1.059 2.233 -1.420 7081TIP3 OH227551 -1.844 2.717 -1.763 7081TIP3 H127552 -1.796 2.800 -1.779 7081TIP3 H227553 -1.931 2.740 -1.797 7082TIP3 OH227554 -2.240 2.194 -2.303 7082TIP3 H127555 -2.183 2.264 -2.267 7082TIP3 H227556 -2.329 2.226 -2.276 7083TIP3 OH227557 -1.658 2.483 -1.804 7083TIP3 H127558 -1.684 2.575 -1.791 7083TIP3 H227559 -1.730 2.436 -1.761 7084TIP3 OH227560 -1.641 2.909 -1.169 7084TIP3 H127561 -1.587 2.986 -1.198 7084TIP3 H227562 -1.578 2.862 -1.113 7085TIP3 OH227563 -1.792 3.004 -1.846 7085TIP3 H127564 -1.888 3.020 -1.847 7085TIP3 H227565 -1.761 3.094 -1.826 7086TIP3 OH227566 -1.299 2.483 -1.211 7086TIP3 H127567 -1.328 2.457 -1.122 7086TIP3 H227568 -1.225 2.422 -1.228 7087TIP3 OH227569 -1.083 2.612 -2.321 7087TIP3 H127570 -1.041 2.569 -2.245 7087TIP3 H227571 -1.176 2.600 -2.296 7088TIP3 OH227572 -1.005 2.941 -0.974 7088TIP3 H127573 -1.082 2.897 -1.017 7088TIP3 H227574 -0.995 3.021 -1.027 7089TIP3 OH227575 -0.608 3.040 -2.270 7089TIP3 H127576 -0.541 3.107 -2.292 7089TIP3 H227577 -0.686 3.099 -2.263 7090TIP3 OH227578 -0.986 2.475 -2.083 7090TIP3 H127579 -1.012 2.404 -2.022 7090TIP3 H227580 -0.889 2.475 -2.073 7091TIP3 OH227581 -2.244 2.852 -1.168 7091TIP3 H127582 -2.210 2.764 -1.147 7091TIP3 H227583 -2.227 2.898 -1.085 7092TIP3 OH227584 -1.662 2.717 -2.465 7092TIP3 H127585 -1.633 2.638 -2.513 7092TIP3 H227586 -1.704 2.680 -2.386 7093TIP3 OH227587 -1.779 2.684 -2.180 7093TIP3 H127588 -1.720 2.631 -2.125 7093TIP3 H227589 -1.752 2.775 -2.159 7094TIP3 OH227590 -2.090 2.416 -2.150 7094TIP3 H127591 -2.164 2.457 -2.101 7094TIP3 H227592 -2.044 2.495 -2.183 7095TIP3 OH227593 -1.313 1.646 -1.144 7095TIP3 H127594 -1.261 1.684 -1.070 7095TIP3 H227595 -1.371 1.581 -1.100 7096TIP3 OH227596 -1.258 1.605 -2.026 7096TIP3 H127597 -1.238 1.661 -2.102 7096TIP3 H227598 -1.217 1.655 -1.953 7097TIP3 OH227599 -1.493 2.829 -2.127 7097TIP3 H127600 -1.569 2.888 -2.112 7097TIP3 H227601 -1.438 2.887 -2.182 7098TIP3 OH227602 -1.517 1.805 -1.929 7098TIP3 H127603 -1.443 1.868 -1.915 7098TIP3 H227604 -1.547 1.789 -1.838 7099TIP3 OH227605 -1.481 1.896 -1.015 7099TIP3 H127606 -1.478 1.947 -0.933 7099TIP3 H227607 -1.424 1.821 -0.995 7100TIP3 OH227608 -1.460 1.507 -1.833 7100TIP3 H127609 -1.482 1.575 -1.767 7100TIP3 H227610 -1.387 1.550 -1.882 7101TIP3 OH227611 -1.747 2.970 -2.138 7101TIP3 H127612 -1.734 3.054 -2.185 7101TIP3 H227613 -1.764 3.003 -2.048 7102TIP3 OH227614 -1.890 1.612 -2.179 7102TIP3 H127615 -1.888 1.690 -2.121 7102TIP3 H227616 -1.809 1.565 -2.150 7103TIP3 OH227617 -0.819 1.683 -0.968 7103TIP3 H127618 -0.912 1.702 -0.955 7103TIP3 H227619 -0.807 1.703 -1.061 7104TIP3 OH227620 -1.000 2.078 -1.520 7104TIP3 H127621 -1.082 2.033 -1.548 7104TIP3 H227622 -0.952 2.007 -1.473 7105TIP3 OH227623 -2.049 2.693 -2.274 7105TIP3 H127624 -1.976 2.744 -2.235 7105TIP3 H227625 -2.000 2.647 -2.345 7106TIP3 OH227626 -2.234 1.916 -2.363 7106TIP3 H127627 -2.223 2.010 -2.339 7106TIP3 H227628 -2.320 1.915 -2.406 7107TIP3 OH227629 -0.899 2.967 -1.383 7107TIP3 H127630 -0.919 3.047 -1.435 7107TIP3 H227631 -0.806 2.983 -1.361 7108TIP3 OH227632 -2.257 2.763 -1.852 7108TIP3 H127633 -2.332 2.823 -1.839 7108TIP3 H227634 -2.207 2.812 -1.918 7109TIP3 OH227635 -2.310 3.058 -0.743 7109TIP3 H127636 -2.253 3.031 -0.668 7109TIP3 H227637 -2.350 2.973 -0.770 7110TIP3 OH227638 -1.849 2.962 -0.564 7110TIP3 H127639 -1.775 2.904 -0.539 7110TIP3 H227640 -1.863 2.937 -0.656 7111TIP3 OH227641 -1.436 2.882 -2.423 7111TIP3 H127642 -1.515 2.824 -2.424 7111TIP3 H227643 -1.370 2.821 -2.458 7112TIP3 OH227644 -1.197 2.789 -0.708 7112TIP3 H127645 -1.234 2.709 -0.666 7112TIP3 H227646 -1.127 2.815 -0.645 7113TIP3 OH227647 -0.974 2.878 -2.404 7113TIP3 H127648 -0.956 2.798 -2.352 7113TIP3 H227649 -0.895 2.885 -2.460 7114TIP3 OH227650 -2.315 2.425 -0.631 7114TIP3 H127651 -2.307 2.332 -0.658 7114TIP3 H227652 -2.394 2.453 -0.681 7115TIP3 OH227653 -1.895 2.465 -2.427 7115TIP3 H127654 -1.876 2.403 -2.354 7115TIP3 H227655 -1.810 2.463 -2.475 7116TIP3 OH227656 -1.649 2.447 -0.692 7116TIP3 H127657 -1.679 2.481 -0.777 7116TIP3 H227658 -1.643 2.351 -0.708 7117TIP3 OH227659 -1.371 2.595 -2.468 7117TIP3 H127660 -1.375 2.591 -2.371 7117TIP3 H227661 -1.376 2.500 -2.489 7118TIP3 OH227662 -1.114 2.396 -0.946 7118TIP3 H127663 -1.037 2.450 -0.970 7118TIP3 H227664 -1.185 2.461 -0.954 7119TIP3 OH227665 -2.224 2.139 -0.716 7119TIP3 H127666 -2.155 2.070 -0.711 7119TIP3 H227667 -2.236 2.156 -0.622 7120TIP3 OH227668 -1.786 2.271 -2.195 7120TIP3 H127669 -1.847 2.220 -2.140 7120TIP3 H227670 -1.756 2.203 -2.259 7121TIP3 OH227671 -1.866 2.047 -0.975 7121TIP3 H127672 -1.916 2.126 -0.948 7121TIP3 H227673 -1.797 2.085 -1.033 7122TIP3 OH227674 -1.692 2.071 -2.370 7122TIP3 H127675 -1.697 2.081 -2.467 7122TIP3 H227676 -1.595 2.070 -2.356 7123TIP3 OH227677 -1.325 2.327 -0.608 7123TIP3 H127678 -1.240 2.302 -0.649 7123TIP3 H227679 -1.362 2.241 -0.585 7124TIP3 OH227680 -0.738 2.325 -2.437 7124TIP3 H127681 -0.749 2.284 -2.524 7124TIP3 H227682 -0.750 2.419 -2.460 7125TIP3 OH227683 -1.806 1.776 -0.859 7125TIP3 H127684 -1.792 1.711 -0.930 7125TIP3 H227685 -1.821 1.858 -0.910 7126TIP3 OH227686 -1.766 1.619 -1.108 7126TIP3 H127687 -1.711 1.666 -1.173 7126TIP3 H227688 -1.855 1.626 -1.147 7127TIP3 OH227689 -1.615 2.167 -1.074 7127TIP3 H127690 -1.530 2.161 -1.119 7127TIP3 H227691 -1.645 2.256 -1.101 7128TIP3 OH227692 -1.163 1.962 -0.588 7128TIP3 H127693 -1.125 1.874 -0.576 7128TIP3 H227694 -1.083 2.014 -0.603 7129TIP3 OH227695 -1.058 2.238 -0.721 7129TIP3 H127696 -1.087 2.301 -0.790 7129TIP3 H227697 -0.965 2.226 -0.748 7130TIP3 OH227698 -1.982 1.957 -0.675 7130TIP3 H127699 -2.042 1.882 -0.671 7130TIP3 H227700 -1.903 1.920 -0.719 7131TIP3 OH227701 -1.741 1.337 -1.054 7131TIP3 H127702 -1.720 1.431 -1.043 7131TIP3 H227703 -1.771 1.335 -1.145 7132TIP3 OH227704 -1.551 1.804 -0.707 7132TIP3 H127705 -1.579 1.781 -0.617 7132TIP3 H227706 -1.631 1.779 -0.757 7133TIP3 OH227707 -2.141 1.690 -0.705 7133TIP3 H127708 -2.114 1.610 -0.750 7133TIP3 H227709 -2.141 1.658 -0.612 7134TIP3 OH227710 -1.679 1.458 -0.585 7134TIP3 H127711 -1.631 1.417 -0.658 7134TIP3 H227712 -1.691 1.550 -0.609 7135TIP3 OH227713 -2.322 2.632 -2.300 7135TIP3 H127714 -2.227 2.656 -2.293 7135TIP3 H227715 -2.320 2.560 -2.365 7136TIP3 OH227716 -2.422 3.152 -1.833 7136TIP3 H127717 -2.495 3.117 -1.887 7136TIP3 H227718 -2.415 3.087 -1.762 7137TIP3 OH227719 -2.384 2.954 -1.628 7137TIP3 H127720 -2.427 2.875 -1.594 7137TIP3 H227721 -2.347 2.992 -1.546 7138TIP3 OH227722 -0.615 3.071 -1.336 7138TIP3 H127723 -0.611 3.081 -1.240 7138TIP3 H227724 -0.544 3.130 -1.365 7139TIP3 OH227725 -0.639 3.028 -1.048 7139TIP3 H127726 -0.692 2.953 -1.082 7139TIP3 H227727 -0.587 2.983 -0.979 7140TIP3 OH227728 -0.852 2.574 -0.611 7140TIP3 H127729 -0.922 2.569 -0.546 7140TIP3 H227730 -0.796 2.647 -0.576 7141TIP3 OH227731 -0.696 2.462 -2.044 7141TIP3 H127732 -0.607 2.497 -2.024 7141TIP3 H227733 -0.706 2.399 -1.970 7142TIP3 OH227734 -0.649 2.257 -1.842 7142TIP3 H127735 -0.720 2.203 -1.803 7142TIP3 H227736 -0.584 2.265 -1.770 7143TIP3 OH227737 -0.679 2.505 -1.345 7143TIP3 H127738 -0.617 2.457 -1.403 7143TIP3 H227739 -0.672 2.596 -1.378 7144TIP3 OH227740 -0.810 2.797 -1.122 7144TIP3 H127741 -0.882 2.839 -1.073 7144TIP3 H227742 -0.857 2.763 -1.202 7145TIP3 OH227743 -0.631 2.202 -2.187 7145TIP3 H127744 -0.680 2.231 -2.266 7145TIP3 H227745 -0.642 2.279 -2.129 7146TIP3 OH227746 -0.803 1.959 -2.362 7146TIP3 H127747 -0.776 2.019 -2.433 7146TIP3 H227748 -0.825 1.877 -2.410 7147TIP3 OH227749 -0.863 2.072 -1.765 7147TIP3 H127750 -0.867 1.976 -1.780 7147TIP3 H227751 -0.898 2.081 -1.674 7148TIP3 OH227752 -0.778 2.242 -0.819 7148TIP3 H127753 -0.702 2.183 -0.819 7148TIP3 H227754 -0.739 2.326 -0.849 7149TIP3 OH227755 -0.854 1.693 -2.439 7149TIP3 H127756 -0.791 1.645 -2.382 7149TIP3 H227757 -0.932 1.636 -2.441 7150TIP3 OH227758 -0.876 1.820 -1.946 7150TIP3 H127759 -0.850 1.726 -1.940 7150TIP3 H227760 -0.795 1.857 -1.987 7151TIP3 OH227761 -0.848 1.880 -1.400 7151TIP3 H127762 -0.751 1.888 -1.403 7151TIP3 H227763 -0.861 1.881 -1.304 7152TIP3 OH227764 -0.840 1.946 -1.127 7152TIP3 H127765 -0.909 1.991 -1.076 7152TIP3 H227766 -0.770 2.013 -1.131 7153TIP3 OH227767 -2.408 1.790 -0.756 7153TIP3 H127768 -2.315 1.765 -0.736 7153TIP3 H227769 -2.455 1.709 -0.731 7154TIP3 OH227770 -0.826 1.541 -1.948 7154TIP3 H127771 -0.814 1.507 -1.857 7154TIP3 H227772 -0.905 1.492 -1.976 7155TIP3 OH227773 -2.291 1.625 -1.479 7155TIP3 H127774 -2.241 1.543 -1.467 7155TIP3 H227775 -2.230 1.692 -1.444 7156TIP3 OH227776 -2.453 1.928 -1.376 7156TIP3 H127777 -2.394 1.927 -1.453 7156TIP3 H227778 -2.409 1.990 -1.317 7157TIP3 OH227779 -0.631 1.590 -2.285 7157TIP3 H127780 -0.598 1.510 -2.328 7157TIP3 H227781 -0.549 1.641 -2.271 7158TIP3 OH227782 -2.406 1.569 -1.955 7158TIP3 H127783 -2.499 1.566 -1.982 7158TIP3 H227784 -2.364 1.622 -2.026 7159TIP3 OH227785 -0.938 3.078 -1.755 7159TIP3 H127786 -0.889 3.063 -1.837 7159TIP3 H227787 -0.875 3.128 -1.702 7160TIP3 OH227788 -2.200 2.760 -0.679 7160TIP3 H127789 -2.272 2.760 -0.744 7160TIP3 H227790 -2.247 2.755 -0.595 7161TIP3 OH227791 -1.917 2.857 -1.117 7161TIP3 H127792 -1.948 2.944 -1.150 7161TIP3 H227793 -1.821 2.868 -1.132 7162TIP3 OH227794 -1.465 2.986 -0.812 7162TIP3 H127795 -1.452 2.975 -0.717 7162TIP3 H227796 -1.384 3.034 -0.838 7163TIP3 OH227797 -1.238 3.134 -0.889 7163TIP3 H127798 -1.168 3.070 -0.911 7163TIP3 H227799 -1.208 3.166 -0.802 7164TIP3 OH227800 -2.183 3.149 -1.080 7164TIP3 H127801 -2.239 3.215 -1.126 7164TIP3 H227802 -2.214 3.161 -0.989 7165TIP3 OH227803 -1.932 3.128 -1.227 7165TIP3 H127804 -2.015 3.153 -1.183 7165TIP3 H227805 -1.923 3.199 -1.294 7166TIP3 OH227806 -1.457 3.131 -1.269 7166TIP3 H127807 -1.491 3.175 -1.349 7166TIP3 H227808 -1.446 3.207 -1.209 7167TIP3 OH227809 -1.223 3.002 -1.179 7167TIP3 H127810 -1.308 3.039 -1.211 7167TIP3 H227811 -1.167 3.081 -1.179 7168TIP3 OH227812 -0.968 3.175 -1.159 7168TIP3 H127813 -0.974 3.270 -1.179 7168TIP3 H227814 -0.943 3.140 -1.246 7169TIP3 OH227815 -2.226 3.030 -1.390 7169TIP3 H127816 -2.229 2.981 -1.305 7169TIP3 H227817 -2.144 2.993 -1.428 7170TIP3 OH227818 -2.020 2.910 -1.541 7170TIP3 H127819 -2.028 2.816 -1.518 7170TIP3 H227820 -1.928 2.931 -1.515 7171TIP3 OH227821 -1.749 2.953 -1.453 7171TIP3 H127822 -1.723 2.862 -1.475 7171TIP3 H227823 -1.737 2.954 -1.357 7172TIP3 OH227824 -1.419 1.535 -1.519 7172TIP3 H127825 -1.485 1.465 -1.506 7172TIP3 H227826 -1.356 1.491 -1.579 7173TIP3 OH227827 -0.924 1.362 -1.462 7173TIP3 H127828 -0.838 1.370 -1.505 7173TIP3 H227829 -0.986 1.362 -1.537 7174TIP3 OH227830 -0.713 1.454 -1.688 7174TIP3 H127831 -0.639 1.411 -1.735 7174TIP3 H227832 -0.679 1.545 -1.676 7175TIP3 OH227833 -2.167 1.417 -1.730 7175TIP3 H127834 -2.253 1.405 -1.774 7175TIP3 H227835 -2.129 1.328 -1.737 7176TIP3 OH227836 -2.294 1.365 -2.181 7176TIP3 H127837 -2.244 1.431 -2.232 7176TIP3 H227838 -2.335 1.418 -2.111 7177TIP3 OH227839 -1.730 1.393 -1.778 7177TIP3 H127840 -1.637 1.420 -1.790 7177TIP3 H227841 -1.734 1.380 -1.683 7178TIP3 OH227842 -1.174 1.404 -1.639 7178TIP3 H127843 -1.138 1.389 -1.727 7178TIP3 H227844 -1.207 1.316 -1.615 7179TIP3 OH227845 -1.058 1.401 -2.044 7179TIP3 H127846 -1.140 1.453 -2.053 7179TIP3 H227847 -1.093 1.314 -2.016 7180TIP3 OH227848 -2.281 2.958 -2.059 7180TIP3 H127849 -2.340 2.950 -2.136 7180TIP3 H227850 -2.276 3.055 -2.053 7181TIP3 OH227851 -2.123 1.548 -2.336 7181TIP3 H127852 -2.061 1.493 -2.387 7181TIP3 H227853 -2.065 1.582 -2.265 7182TIP3 OH227854 -1.608 1.561 -2.078 7182TIP3 H127855 -1.581 1.505 -2.003 7182TIP3 H227856 -1.593 1.649 -2.039 7183TIP3 OH227857 -1.401 3.109 -2.252 7183TIP3 H127858 -1.307 3.126 -2.262 7183TIP3 H227859 -1.423 3.056 -2.330 7184TIP3 OH227860 -0.755 3.047 -1.994 7184TIP3 H127861 -0.781 2.964 -2.038 7184TIP3 H227862 -0.769 3.112 -2.065 7185TIP3 OH227863 -2.139 3.046 -2.383 7185TIP3 H127864 -2.153 3.086 -2.296 7185TIP3 H227865 -2.053 3.002 -2.372 7186TIP3 OH227866 -0.809 2.923 -0.753 7186TIP3 H127867 -0.884 2.902 -0.812 7186TIP3 H227868 -0.827 3.017 -0.733 7187TIP3 OH227869 0.497 2.233 -1.443 7187TIP3 H127870 0.489 2.176 -1.365 7187TIP3 H227871 0.474 2.173 -1.515 7188TIP3 OH227872 -0.266 2.168 -1.250 7188TIP3 H127873 -0.247 2.105 -1.180 7188TIP3 H227874 -0.185 2.222 -1.249 7189TIP3 OH227875 0.878 2.518 -1.603 7189TIP3 H127876 0.829 2.442 -1.570 7189TIP3 H227877 0.894 2.569 -1.522 7190TIP3 OH227878 -0.167 2.673 -1.445 7190TIP3 H127879 -0.212 2.586 -1.452 7190TIP3 H227880 -0.099 2.649 -1.380 7191TIP3 OH227881 -0.497 1.997 -1.878 7191TIP3 H127882 -0.536 2.085 -1.872 7191TIP3 H227883 -0.567 1.948 -1.924 7192TIP3 OH227884 -0.402 2.227 -1.676 7192TIP3 H127885 -0.383 2.144 -1.629 7192TIP3 H227886 -0.324 2.234 -1.733 7193TIP3 OH227887 0.570 3.045 -1.543 7193TIP3 H127888 0.627 2.974 -1.580 7193TIP3 H227889 0.548 3.006 -1.457 7194TIP3 OH227890 0.340 2.486 -1.377 7194TIP3 H127891 0.372 2.420 -1.440 7194TIP3 H227892 0.423 2.500 -1.327 7195TIP3 OH227893 1.213 1.642 -1.314 7195TIP3 H127894 1.235 1.705 -1.244 7195TIP3 H227895 1.274 1.673 -1.384 7196TIP3 OH227896 0.658 1.911 -1.335 7196TIP3 H127897 0.693 1.820 -1.338 7196TIP3 H227898 0.667 1.939 -1.427 7197TIP3 OH227899 -0.049 1.698 -1.615 7197TIP3 H127900 -0.036 1.792 -1.632 7197TIP3 H227901 -0.079 1.665 -1.701 7198TIP3 OH227902 0.757 1.739 -1.789 7198TIP3 H127903 0.813 1.700 -1.719 7198TIP3 H227904 0.824 1.783 -1.843 7199TIP3 OH227905 -0.326 1.970 -1.547 7199TIP3 H127906 -0.257 1.920 -1.503 7199TIP3 H227907 -0.325 1.930 -1.636 7200TIP3 OH227908 0.173 2.128 -1.611 7200TIP3 H127909 0.238 2.070 -1.567 7200TIP3 H227910 0.126 2.063 -1.666 7201TIP3 OH227911 1.289 1.784 -1.043 7201TIP3 H127912 1.228 1.851 -1.078 7201TIP3 H227913 1.242 1.756 -0.963 7202TIP3 OH227914 0.610 2.590 -1.859 7202TIP3 H127915 0.574 2.518 -1.911 7202TIP3 H227916 0.538 2.655 -1.852 7203TIP3 OH227917 0.147 2.385 -1.185 7203TIP3 H127918 0.070 2.444 -1.173 7203TIP3 H227919 0.210 2.442 -1.233 7204TIP3 OH227920 0.925 1.658 -1.574 7204TIP3 H127921 0.919 1.583 -1.515 7204TIP3 H227922 0.985 1.718 -1.526 7205TIP3 OH227923 -0.065 2.581 -1.148 7205TIP3 H127924 -0.063 2.678 -1.142 7205TIP3 H227925 -0.140 2.559 -1.089 7206TIP3 OH227926 -0.425 2.560 -2.022 7206TIP3 H127927 -0.443 2.599 -2.109 7206TIP3 H227928 -0.406 2.638 -1.967 7207TIP3 OH227929 0.920 2.691 -1.348 7207TIP3 H127930 0.823 2.701 -1.350 7207TIP3 H227931 0.948 2.775 -1.390 7208TIP3 OH227932 0.946 1.592 -1.200 7208TIP3 H127933 0.869 1.621 -1.252 7208TIP3 H227934 1.021 1.607 -1.260 7209TIP3 OH227935 0.748 2.884 -1.695 7209TIP3 H127936 0.791 2.800 -1.723 7209TIP3 H227937 0.819 2.949 -1.710 7210TIP3 OH227938 0.893 2.667 -1.839 7210TIP3 H127939 0.839 2.615 -1.901 7210TIP3 H227940 0.889 2.607 -1.761 7211TIP3 OH227941 1.047 2.553 -0.985 7211TIP3 H127942 1.040 2.485 -1.055 7211TIP3 H227943 1.062 2.634 -1.037 7212TIP3 OH227944 0.511 2.082 -2.309 7212TIP3 H127945 0.569 2.090 -2.232 7212TIP3 H227946 0.562 2.022 -2.365 7213TIP3 OH227947 1.228 2.168 -1.190 7213TIP3 H127948 1.155 2.233 -1.181 7213TIP3 H227949 1.274 2.204 -1.269 7214TIP3 OH227950 0.822 2.081 -1.015 7214TIP3 H127951 0.817 2.160 -0.958 7214TIP3 H227952 0.754 2.103 -1.080 7215TIP3 OH227953 -0.010 2.325 -1.735 7215TIP3 H127954 -0.046 2.274 -1.811 7215TIP3 H227955 0.051 2.261 -1.694 7216TIP3 OH227956 0.121 2.672 -1.501 7216TIP3 H127957 0.146 2.595 -1.555 7216TIP3 H227958 0.191 2.663 -1.433 7217TIP3 OH227959 0.024 2.210 -1.377 7217TIP3 H127960 0.089 2.186 -1.446 7217TIP3 H227961 0.081 2.253 -1.310 7218TIP3 OH227962 0.634 2.755 -1.324 7218TIP3 H127963 0.643 2.817 -1.250 7218TIP3 H227964 0.616 2.670 -1.279 7219TIP3 OH227965 0.131 2.634 -0.899 7219TIP3 H127966 0.081 2.700 -0.846 7219TIP3 H227967 0.065 2.608 -0.965 7220TIP3 OH227968 -0.188 2.310 -0.999 7220TIP3 H127969 -0.166 2.334 -0.907 7220TIP3 H227970 -0.275 2.270 -0.991 7221TIP3 OH227971 0.458 2.848 -1.803 7221TIP3 H127972 0.523 2.867 -1.734 7221TIP3 H227973 0.430 2.935 -1.834 7222TIP3 OH227974 -0.060 2.849 -0.815 7222TIP3 H127975 -0.073 2.853 -0.911 7222TIP3 H227976 -0.149 2.828 -0.780 7223TIP3 OH227977 1.066 1.355 -2.208 7223TIP3 H127978 0.977 1.371 -2.169 7223TIP3 H227979 1.102 1.445 -2.212 7224TIP3 OH227980 -0.126 2.197 -1.973 7224TIP3 H127981 -0.141 2.268 -2.037 7224TIP3 H227982 -0.186 2.128 -2.004 7225TIP3 OH227983 1.204 2.775 -2.361 7225TIP3 H127984 1.221 2.867 -2.334 7225TIP3 H227985 1.290 2.733 -2.340 7226TIP3 OH227986 -0.515 2.458 -1.104 7226TIP3 H127987 -0.560 2.463 -1.191 7226TIP3 H227988 -0.502 2.363 -1.096 7227TIP3 OH227989 -0.512 2.753 -1.413 7227TIP3 H127990 -0.420 2.730 -1.400 7227TIP3 H227991 -0.526 2.817 -1.341 7228TIP3 OH227992 1.328 2.815 -0.835 7228TIP3 H127993 1.318 2.720 -0.852 7228TIP3 H227994 1.237 2.838 -0.805 7229TIP3 OH227995 0.392 2.741 -0.959 7229TIP3 H127996 0.400 2.822 -0.905 7229TIP3 H227997 0.304 2.708 -0.933 7230TIP3 OH227998 0.417 3.117 -1.954 7230TIP3 H127999 0.422 3.123 -2.052 7230TIP3 H228000 0.426 3.210 -1.927 7231TIP3 OH228001 0.754 3.063 -2.239 7231TIP3 H128002 0.809 2.996 -2.284 7231TIP3 H228003 0.748 3.024 -2.150 7232TIP3 OH228004 0.693 3.007 -1.957 7232TIP3 H128005 0.597 3.013 -1.946 7232TIP3 H228006 0.713 2.930 -1.900 7233TIP3 OH228007 1.036 1.973 -0.812 7233TIP3 H128008 0.970 2.009 -0.872 7233TIP3 H228009 1.034 1.878 -0.834 7234TIP3 OH228010 -0.294 2.613 -0.976 7234TIP3 H128011 -0.264 2.562 -0.899 7234TIP3 H228012 -0.366 2.557 -1.011 7235TIP3 OH228013 0.035 1.435 -1.384 7235TIP3 H128014 -0.049 1.396 -1.410 7235TIP3 H228015 0.010 1.514 -1.338 7236TIP3 OH228016 0.858 2.254 -2.342 7236TIP3 H128017 0.843 2.255 -2.438 7236TIP3 H228018 0.940 2.305 -2.333 7237TIP3 OH228019 0.453 1.668 -2.318 7237TIP3 H128020 0.396 1.674 -2.240 7237TIP3 H228021 0.398 1.612 -2.375 7238TIP3 OH228022 0.004 1.954 -1.775 7238TIP3 H128023 -0.090 1.936 -1.790 7238TIP3 H228024 0.042 1.927 -1.861 7239TIP3 OH228025 0.623 1.958 -1.643 7239TIP3 H128026 0.630 2.032 -1.709 7239TIP3 H228027 0.658 1.885 -1.697 7240TIP3 OH228028 0.096 1.729 -2.418 7240TIP3 H128029 0.060 1.683 -2.340 7240TIP3 H228030 0.020 1.733 -2.477 7241TIP3 OH228031 -0.570 1.700 -1.707 7241TIP3 H128032 -0.504 1.701 -1.635 7241TIP3 H228033 -0.520 1.664 -1.782 7242TIP3 OH228034 -0.414 1.747 -2.146 7242TIP3 H128035 -0.356 1.796 -2.208 7242TIP3 H228036 -0.482 1.814 -2.127 7243TIP3 OH228037 0.553 2.112 -1.169 7243TIP3 H128038 0.601 2.048 -1.225 7243TIP3 H228039 0.521 2.053 -1.098 7244TIP3 OH228040 0.262 1.702 -1.675 7244TIP3 H128041 0.168 1.705 -1.651 7244TIP3 H228042 0.304 1.710 -1.588 7245TIP3 OH228043 -0.263 1.834 -1.807 7245TIP3 H128044 -0.346 1.860 -1.851 7245TIP3 H228045 -0.236 1.754 -1.856 7246TIP3 OH228046 0.109 1.866 -2.035 7246TIP3 H128047 0.205 1.880 -2.030 7246TIP3 H228048 0.081 1.923 -2.109 7247TIP3 OH228049 0.690 1.620 -1.340 7247TIP3 H128050 0.618 1.625 -1.276 7247TIP3 H228051 0.640 1.595 -1.421 7248TIP3 OH228052 -0.052 1.988 -2.265 7248TIP3 H128053 -0.107 1.952 -2.336 7248TIP3 H228054 0.031 2.006 -2.311 7249TIP3 OH228055 1.019 3.201 -0.703 7249TIP3 H128056 1.043 3.246 -0.786 7249TIP3 H228057 1.090 3.231 -0.644 7250TIP3 OH228058 -0.183 2.455 -0.739 7250TIP3 H128059 -0.111 2.469 -0.676 7250TIP3 H228060 -0.259 2.463 -0.680 7251TIP3 OH228061 0.370 1.936 -1.468 7251TIP3 H128062 0.449 1.919 -1.521 7251TIP3 H228063 0.388 1.887 -1.386 7252TIP3 OH228064 -0.098 1.600 -1.875 7252TIP3 H128065 -0.141 1.516 -1.853 7252TIP3 H228066 -0.013 1.570 -1.911 7253TIP3 OH228067 0.294 2.448 -2.065 7253TIP3 H128068 0.240 2.380 -2.109 7253TIP3 H228069 0.306 2.413 -1.976 7254TIP3 OH228070 1.015 2.363 -1.200 7254TIP3 H128071 1.065 2.416 -1.266 7254TIP3 H228072 0.930 2.349 -1.246 7255TIP3 OH228073 0.722 1.732 -2.312 7255TIP3 H128074 0.624 1.726 -2.311 7255TIP3 H228075 0.739 1.805 -2.248 7256TIP3 OH228076 0.448 2.444 -0.936 7256TIP3 H128077 0.425 2.418 -0.846 7256TIP3 H228078 0.422 2.537 -0.938 7257TIP3 OH228079 0.769 1.928 -2.124 7257TIP3 H128080 0.831 1.914 -2.050 7257TIP3 H228081 0.769 2.025 -2.126 7258TIP3 OH228082 -0.188 2.375 -1.486 7258TIP3 H128083 -0.132 2.372 -1.565 7258TIP3 H228084 -0.161 2.293 -1.443 7259TIP3 OH228085 0.533 2.592 -2.193 7259TIP3 H128086 0.508 2.667 -2.137 7259TIP3 H228087 0.485 2.519 -2.151 7260TIP3 OH228088 -0.458 2.188 -0.928 7260TIP3 H128089 -0.459 2.113 -0.866 7260TIP3 H228090 -0.516 2.157 -0.999 7261TIP3 OH228091 0.250 2.147 -0.754 7261TIP3 H128092 0.224 2.133 -0.846 7261TIP3 H228093 0.346 2.143 -0.759 7262TIP3 OH228094 0.683 2.711 -0.997 7262TIP3 H128095 0.586 2.717 -1.002 7262TIP3 H228096 0.699 2.733 -0.904 7263TIP3 OH228097 1.238 1.911 -2.119 7263TIP3 H128098 1.180 1.895 -2.196 7263TIP3 H228099 1.250 2.007 -2.130 7264TIP3 OH228100 1.281 2.517 -0.839 7264TIP3 H128101 1.187 2.537 -0.858 7264TIP3 H228102 1.315 2.499 -0.928 7265TIP3 OH228103 1.057 2.772 -2.108 7265TIP3 H128104 1.031 2.695 -2.055 7265TIP3 H228105 1.111 2.732 -2.178 7266TIP3 OH228106 0.780 2.305 -1.367 7266TIP3 H128107 0.688 2.291 -1.397 7266TIP3 H228108 0.825 2.234 -1.418 7267TIP3 OH228109 -0.356 2.194 -2.305 7267TIP3 H128110 -0.297 2.262 -2.266 7267TIP3 H228111 -0.443 2.225 -2.274 7268TIP3 OH228112 0.199 2.527 -1.754 7268TIP3 H128113 0.174 2.589 -1.822 7268TIP3 H228114 0.141 2.450 -1.768 7269TIP3 OH228115 0.241 2.907 -1.175 7269TIP3 H128116 0.295 2.983 -1.204 7269TIP3 H228117 0.305 2.856 -1.123 7270TIP3 OH228118 0.585 2.486 -1.215 7270TIP3 H128119 0.557 2.455 -1.127 7270TIP3 H228120 0.657 2.424 -1.236 7271TIP3 OH228121 0.812 2.606 -2.310 7271TIP3 H128122 0.847 2.559 -2.231 7271TIP3 H228123 0.717 2.598 -2.290 7272TIP3 OH228124 0.879 2.942 -0.972 7272TIP3 H128125 0.805 2.895 -1.014 7272TIP3 H228126 0.890 3.020 -1.029 7273TIP3 OH228127 1.276 3.042 -2.266 7273TIP3 H128128 1.347 3.105 -2.288 7273TIP3 H228129 1.200 3.102 -2.269 7274TIP3 OH228130 0.888 2.462 -2.068 7274TIP3 H128131 0.850 2.386 -2.021 7274TIP3 H228132 0.983 2.454 -2.049 7275TIP3 OH228133 -0.351 2.850 -1.167 7275TIP3 H128134 -0.330 2.760 -1.139 7275TIP3 H228135 -0.343 2.897 -1.083 7276TIP3 OH228136 0.228 2.723 -2.458 7276TIP3 H128137 0.252 2.646 -2.513 7276TIP3 H228138 0.190 2.679 -2.380 7277TIP3 OH228139 0.123 2.662 -2.179 7277TIP3 H128140 0.178 2.606 -2.122 7277TIP3 H228141 0.138 2.752 -2.144 7278TIP3 OH228142 -0.211 2.417 -2.151 7278TIP3 H128143 -0.279 2.459 -2.096 7278TIP3 H228144 -0.162 2.496 -2.182 7279TIP3 OH228145 0.627 1.609 -2.026 7279TIP3 H128146 0.638 1.667 -2.103 7279TIP3 H228147 0.671 1.660 -1.957 7280TIP3 OH228148 0.406 2.847 -2.123 7280TIP3 H128149 0.320 2.890 -2.118 7280TIP3 H228150 0.440 2.877 -2.209 7281TIP3 OH228151 0.391 1.824 -1.925 7281TIP3 H128152 0.465 1.885 -1.910 7281TIP3 H228153 0.354 1.813 -1.835 7282TIP3 OH228154 0.439 1.901 -1.013 7282TIP3 H128155 0.405 1.930 -0.928 7282TIP3 H228156 0.462 1.809 -0.996 7283TIP3 OH228157 0.429 1.512 -1.832 7283TIP3 H128158 0.399 1.587 -1.778 7283TIP3 H228159 0.498 1.553 -1.888 7284TIP3 OH228160 0.121 2.943 -2.106 7284TIP3 H128161 0.113 3.012 -2.175 7284TIP3 H228162 0.114 2.997 -2.027 7285TIP3 OH228163 0.001 1.612 -2.186 7285TIP3 H128164 0.002 1.689 -2.126 7285TIP3 H228165 0.082 1.566 -2.158 7286TIP3 OH228166 1.026 1.716 -0.936 7286TIP3 H128167 0.931 1.702 -0.942 7286TIP3 H228168 1.053 1.678 -1.021 7287TIP3 OH228169 0.869 2.083 -1.512 7287TIP3 H128170 0.801 2.042 -1.568 7287TIP3 H228171 0.926 2.007 -1.487 7288TIP3 OH228172 -0.155 2.693 -2.272 7288TIP3 H128173 -0.082 2.747 -2.237 7288TIP3 H228174 -0.106 2.643 -2.341 7289TIP3 OH228175 -0.342 1.916 -2.368 7289TIP3 H128176 -0.332 2.009 -2.341 7289TIP3 H228177 -0.432 1.915 -2.404 7290TIP3 OH228178 0.982 2.973 -1.385 7290TIP3 H128179 0.970 3.056 -1.434 7290TIP3 H228180 1.074 2.981 -1.358 7291TIP3 OH228181 -0.287 1.385 -1.474 7291TIP3 H128182 -0.275 1.389 -1.570 7291TIP3 H228183 -0.299 1.291 -1.456 7292TIP3 OH228184 -0.319 2.804 -1.843 7292TIP3 H128185 -0.405 2.836 -1.812 7292TIP3 H228186 -0.313 2.850 -1.929 7293TIP3 OH228187 -0.425 3.057 -0.745 7293TIP3 H128188 -0.368 3.030 -0.670 7293TIP3 H228189 -0.466 2.972 -0.769 7294TIP3 OH228190 0.043 2.967 -0.565 7294TIP3 H128191 0.111 2.903 -0.540 7294TIP3 H228192 0.022 2.938 -0.656 7295TIP3 OH228193 0.450 2.888 -2.410 7295TIP3 H128194 0.375 2.827 -2.423 7295TIP3 H228195 0.522 2.835 -2.448 7296TIP3 OH228196 0.688 2.792 -0.704 7296TIP3 H128197 0.655 2.708 -0.668 7296TIP3 H228198 0.760 2.814 -0.642 7297TIP3 OH228199 0.910 2.878 -2.403 7297TIP3 H128200 0.925 2.799 -2.349 7297TIP3 H228201 0.991 2.881 -2.457 7298TIP3 OH228202 -0.469 2.404 -0.629 7298TIP3 H128203 -0.428 2.331 -0.676 7298TIP3 H228204 -0.523 2.447 -0.698 7299TIP3 OH228205 -0.009 2.465 -2.427 7299TIP3 H128206 0.009 2.406 -2.352 7299TIP3 H228207 0.077 2.462 -2.473 7300TIP3 OH228208 0.237 2.430 -0.695 7300TIP3 H128209 0.190 2.454 -0.776 7300TIP3 H228210 0.235 2.332 -0.696 7301TIP3 OH228211 0.522 2.589 -2.470 7301TIP3 H128212 0.517 2.589 -2.372 7301TIP3 H228213 0.504 2.495 -2.489 7302TIP3 OH228214 0.769 2.408 -0.962 7302TIP3 H128215 0.848 2.459 -0.986 7302TIP3 H228216 0.701 2.477 -0.965 7303TIP3 OH228217 0.097 2.275 -2.200 7303TIP3 H128218 0.043 2.218 -2.142 7303TIP3 H228219 0.134 2.209 -2.262 7304TIP3 OH228220 0.206 2.080 -2.365 7304TIP3 H128221 0.199 2.064 -2.460 7304TIP3 H228222 0.302 2.078 -2.351 7305TIP3 OH228223 0.539 2.303 -0.639 7305TIP3 H128224 0.635 2.301 -0.651 7305TIP3 H228225 0.526 2.237 -0.571 7306TIP3 OH228226 1.140 2.325 -2.435 7306TIP3 H128227 1.123 2.282 -2.520 7306TIP3 H228228 1.129 2.419 -2.459 7307TIP3 OH228229 0.265 2.157 -1.054 7307TIP3 H128230 0.346 2.150 -1.107 7307TIP3 H228231 0.230 2.243 -1.087 7308TIP3 OH228232 0.845 2.253 -0.753 7308TIP3 H128233 0.809 2.316 -0.819 7308TIP3 H228234 0.936 2.243 -0.788 7309TIP3 OH228235 0.173 3.190 -2.257 7309TIP3 H128236 0.268 3.206 -2.249 7309TIP3 H228237 0.153 3.239 -2.338 7310TIP3 OH228238 -0.435 2.634 -2.301 7310TIP3 H128239 -0.340 2.653 -2.292 7310TIP3 H228240 -0.435 2.558 -2.362 7311TIP3 OH228241 -0.534 3.155 -1.834 7311TIP3 H128242 -0.607 3.123 -1.890 7311TIP3 H228243 -0.531 3.086 -1.765 7312TIP3 OH228244 -0.501 2.954 -1.635 7312TIP3 H128245 -0.539 2.871 -1.602 7312TIP3 H228246 -0.474 2.993 -1.551 7313TIP3 OH228247 1.256 3.090 -1.335 7313TIP3 H128248 1.270 3.082 -1.240 7313TIP3 H228249 1.345 3.112 -1.366 7314TIP3 OH228250 1.245 3.029 -1.047 7314TIP3 H128251 1.194 2.953 -1.081 7314TIP3 H228252 1.301 2.983 -0.982 7315TIP3 OH228253 1.044 2.572 -0.618 7315TIP3 H128254 0.957 2.577 -0.576 7315TIP3 H228255 1.090 2.651 -0.585 7316TIP3 OH228256 1.183 2.464 -2.045 7316TIP3 H128257 1.274 2.494 -2.026 7316TIP3 H228258 1.172 2.399 -1.972 7317TIP3 OH228259 1.231 2.260 -1.849 7317TIP3 H128260 1.163 2.202 -1.809 7317TIP3 H228261 1.297 2.268 -1.778 7318TIP3 OH228262 1.204 2.509 -1.346 7318TIP3 H128263 1.264 2.457 -1.403 7318TIP3 H228264 1.217 2.599 -1.380 7319TIP3 OH228265 1.076 2.803 -1.126 7319TIP3 H128266 1.003 2.838 -1.073 7319TIP3 H228267 1.030 2.762 -1.202 7320TIP3 OH228268 1.262 2.205 -2.190 7320TIP3 H128269 1.205 2.231 -2.265 7320TIP3 H228270 1.244 2.276 -2.127 7321TIP3 OH228271 1.095 1.951 -2.363 7321TIP3 H128272 1.106 2.021 -2.428 7321TIP3 H228273 1.061 1.878 -2.417 7322TIP3 OH228274 1.040 2.071 -1.767 7322TIP3 H128275 0.997 1.992 -1.803 7322TIP3 H228276 0.967 2.112 -1.717 7323TIP3 OH228277 -0.484 2.293 -1.395 7323TIP3 H128278 -0.457 2.294 -1.488 7323TIP3 H228279 -0.400 2.268 -1.352 7324TIP3 OH228280 1.103 2.264 -0.850 7324TIP3 H128281 1.168 2.193 -0.840 7324TIP3 H228282 1.159 2.342 -0.861 7325TIP3 OH228283 1.283 2.074 -0.747 7325TIP3 H128284 1.196 2.030 -0.742 7325TIP3 H228285 1.344 2.001 -0.727 7326TIP3 OH228286 1.025 1.673 -2.454 7326TIP3 H128287 1.090 1.645 -2.386 7326TIP3 H228288 0.941 1.653 -2.412 7327TIP3 OH228289 0.994 1.821 -1.947 7327TIP3 H128290 1.029 1.730 -1.941 7327TIP3 H228291 1.070 1.867 -1.988 7328TIP3 OH228292 1.032 1.875 -1.409 7328TIP3 H128293 1.128 1.891 -1.415 7328TIP3 H228294 1.020 1.890 -1.313 7329TIP3 OH228295 1.043 1.948 -1.139 7329TIP3 H128296 0.963 1.987 -1.097 7329TIP3 H228297 1.100 2.027 -1.148 7330TIP3 OH228298 1.060 1.539 -1.939 7330TIP3 H128299 1.060 1.503 -1.848 7330TIP3 H228300 0.981 1.493 -1.975 7331TIP3 OH228301 -0.394 1.664 -1.464 7331TIP3 H128302 -0.365 1.572 -1.452 7331TIP3 H228303 -0.323 1.712 -1.421 7332TIP3 OH228304 -0.566 1.935 -1.370 7332TIP3 H128305 -0.505 1.914 -1.442 7332TIP3 H228306 -0.522 2.012 -1.331 7333TIP3 OH228307 1.251 1.592 -2.289 7333TIP3 H128308 1.283 1.510 -2.330 7333TIP3 H228309 1.334 1.641 -2.272 7334TIP3 OH228310 -0.517 1.561 -1.963 7334TIP3 H128311 -0.612 1.567 -1.982 7334TIP3 H228312 -0.477 1.622 -2.028 7335TIP3 OH228313 0.942 3.097 -1.755 7335TIP3 H128314 0.987 3.064 -1.834 7335TIP3 H228315 1.016 3.124 -1.700 7336TIP3 OH228316 -0.309 2.766 -0.684 7336TIP3 H128317 -0.383 2.760 -0.746 7336TIP3 H228318 -0.354 2.743 -0.599 7337TIP3 OH228319 -0.030 2.856 -1.119 7337TIP3 H128320 -0.062 2.944 -1.145 7337TIP3 H228321 0.066 2.868 -1.137 7338TIP3 OH228322 0.419 2.991 -0.812 7338TIP3 H128323 0.433 2.972 -0.718 7338TIP3 H228324 0.503 3.034 -0.837 7339TIP3 OH228325 0.649 3.135 -0.890 7339TIP3 H128326 0.717 3.071 -0.911 7339TIP3 H228327 0.679 3.166 -0.802 7340TIP3 OH228328 1.175 1.424 -0.989 7340TIP3 H128329 1.084 1.452 -0.973 7340TIP3 H228330 1.171 1.332 -0.960 7341TIP3 OH228331 -0.296 3.154 -1.085 7341TIP3 H128332 -0.357 3.219 -1.124 7341TIP3 H228333 -0.324 3.157 -0.993 7342TIP3 OH228334 -0.053 3.128 -1.238 7342TIP3 H128335 -0.131 3.150 -1.184 7342TIP3 H228336 -0.042 3.208 -1.292 7343TIP3 OH228337 0.427 3.135 -1.270 7343TIP3 H128338 0.403 3.191 -1.345 7343TIP3 H228339 0.440 3.203 -1.200 7344TIP3 OH228340 0.664 3.004 -1.178 7344TIP3 H128341 0.579 3.039 -1.210 7344TIP3 H228342 0.720 3.082 -1.178 7345TIP3 OH228343 0.915 3.176 -1.158 7345TIP3 H128344 0.913 3.271 -1.181 7345TIP3 H228345 0.945 3.138 -1.242 7346TIP3 OH228346 -0.312 3.015 -1.395 7346TIP3 H128347 -0.337 2.979 -1.307 7346TIP3 H228348 -0.221 2.984 -1.398 7347TIP3 OH228349 0.492 1.547 -1.528 7347TIP3 H128350 0.413 1.498 -1.502 7347TIP3 H228351 0.519 1.501 -1.609 7348TIP3 OH228352 1.155 1.440 -1.663 7348TIP3 H128353 1.226 1.402 -1.717 7348TIP3 H228354 1.184 1.532 -1.653 7349TIP3 OH228355 -0.267 1.379 -1.773 7349TIP3 H128356 -0.358 1.372 -1.809 7349TIP3 H228357 -0.242 1.287 -1.764 7350TIP3 OH228358 -0.407 1.362 -2.178 7350TIP3 H128359 -0.355 1.427 -2.228 7350TIP3 H228360 -0.445 1.416 -2.108 7351TIP3 OH228361 0.153 1.383 -1.769 7351TIP3 H128362 0.243 1.416 -1.783 7351TIP3 H228363 0.149 1.372 -1.673 7352TIP3 OH228364 0.822 1.401 -2.060 7352TIP3 H128365 0.742 1.457 -2.059 7352TIP3 H228366 0.790 1.320 -2.015 7353TIP3 OH228367 -0.389 2.959 -2.069 7353TIP3 H128368 -0.456 2.947 -2.139 7353TIP3 H228369 -0.395 3.055 -2.056 7354TIP3 OH228370 -0.238 1.545 -2.335 7354TIP3 H128371 -0.176 1.491 -2.388 7354TIP3 H228372 -0.178 1.581 -2.267 7355TIP3 OH228373 0.268 1.572 -2.071 7355TIP3 H128374 0.307 1.515 -2.004 7355TIP3 H228375 0.291 1.659 -2.037 7356TIP3 OH228376 0.479 3.145 -2.251 7356TIP3 H128377 0.576 3.142 -2.257 7356TIP3 H228378 0.455 3.079 -2.318 7357TIP3 OH228379 1.124 3.046 -1.993 7357TIP3 H128380 1.104 2.959 -2.034 7357TIP3 H228381 1.128 3.102 -2.072 7358TIP3 OH228382 -0.248 3.053 -2.385 7358TIP3 H128383 -0.273 3.083 -2.296 7358TIP3 H228384 -0.169 3.000 -2.369 7359TIP3 OH228385 1.077 2.924 -0.755 7359TIP3 H128386 1.003 2.903 -0.815 7359TIP3 H228387 1.059 3.017 -0.735 7360TIP3 OH228388 2.510 2.290 -1.756 7360TIP3 H128389 2.504 2.383 -1.728 7360TIP3 H228390 2.423 2.278 -1.798 7361TIP3 OH228391 2.390 2.229 -1.440 7361TIP3 H128392 2.382 2.182 -1.355 7361TIP3 H228393 2.352 2.164 -1.500 7362TIP3 OH228394 1.630 2.194 -1.268 7362TIP3 H128395 1.626 2.118 -1.207 7362TIP3 H228396 1.700 2.247 -1.226 7363TIP3 OH228397 2.747 2.507 -1.603 7363TIP3 H128398 2.712 2.439 -1.543 7363TIP3 H228399 2.784 2.569 -1.538 7364TIP3 OH228400 1.695 2.658 -1.419 7364TIP3 H128401 1.671 2.566 -1.443 7364TIP3 H228402 1.787 2.644 -1.393 7365TIP3 OH228403 1.393 1.994 -1.880 7365TIP3 H128404 1.354 2.081 -1.866 7365TIP3 H228405 1.319 1.946 -1.920 7366TIP3 OH228406 1.476 2.242 -1.692 7366TIP3 H128407 1.490 2.159 -1.643 7366TIP3 H228408 1.560 2.250 -1.739 7367TIP3 OH228409 2.455 3.044 -1.546 7367TIP3 H128410 2.514 2.973 -1.577 7367TIP3 H228411 2.429 3.011 -1.459 7368TIP3 OH228412 2.232 2.484 -1.379 7368TIP3 H128413 2.265 2.413 -1.436 7368TIP3 H228414 2.312 2.500 -1.326 7369TIP3 OH228415 3.102 1.635 -1.319 7369TIP3 H128416 3.114 1.697 -1.245 7369TIP3 H228417 3.164 1.673 -1.385 7370TIP3 OH228418 2.566 1.921 -1.329 7370TIP3 H128419 2.579 1.825 -1.322 7370TIP3 H228420 2.549 1.931 -1.424 7371TIP3 OH228421 1.860 1.723 -1.622 7371TIP3 H128422 1.871 1.809 -1.665 7371TIP3 H228423 1.820 1.671 -1.694 7372TIP3 OH228424 2.643 1.735 -1.792 7372TIP3 H128425 2.702 1.696 -1.723 7372TIP3 H228426 2.705 1.787 -1.844 7373TIP3 OH228427 1.528 1.992 -1.568 7373TIP3 H128428 1.590 1.945 -1.509 7373TIP3 H228429 1.537 1.942 -1.650 7374TIP3 OH228430 2.072 2.129 -1.622 7374TIP3 H128431 2.134 2.069 -1.575 7374TIP3 H228432 2.017 2.064 -1.670 7375TIP3 OH228433 3.166 1.771 -1.065 7375TIP3 H128434 3.125 1.852 -1.100 7375TIP3 H228435 3.134 1.775 -0.974 7376TIP3 OH228436 1.764 1.596 -1.203 7376TIP3 H128437 1.737 1.670 -1.260 7376TIP3 H228438 1.705 1.609 -1.127 7377TIP3 OH228439 2.494 2.579 -1.869 7377TIP3 H128440 2.450 2.553 -1.950 7377TIP3 H228441 2.444 2.659 -1.844 7378TIP3 OH228442 2.032 2.387 -1.190 7378TIP3 H128443 1.957 2.445 -1.165 7378TIP3 H228444 2.093 2.449 -1.233 7379TIP3 OH228445 2.826 1.662 -1.586 7379TIP3 H128446 2.784 1.602 -1.523 7379TIP3 H228447 2.875 1.722 -1.527 7380TIP3 OH228448 1.696 1.805 -1.410 7380TIP3 H128449 1.760 1.862 -1.361 7380TIP3 H228450 1.756 1.766 -1.477 7381TIP3 OH228451 1.829 2.574 -1.120 7381TIP3 H128452 1.825 2.668 -1.147 7381TIP3 H228453 1.744 2.565 -1.074 7382TIP3 OH228454 1.462 2.545 -2.031 7382TIP3 H128455 1.439 2.595 -2.111 7382TIP3 H228456 1.477 2.614 -1.963 7383TIP3 OH228457 2.806 2.675 -1.357 7383TIP3 H128458 2.714 2.706 -1.354 7383TIP3 H228459 2.852 2.753 -1.392 7384TIP3 OH228460 2.841 1.576 -1.195 7384TIP3 H128461 2.763 1.612 -1.240 7384TIP3 H228462 2.911 1.587 -1.263 7385TIP3 OH228463 2.149 1.352 -1.495 7385TIP3 H128464 2.128 1.256 -1.495 7385TIP3 H228465 2.065 1.389 -1.460 7386TIP3 OH228466 2.635 2.884 -1.700 7386TIP3 H128467 2.686 2.804 -1.723 7386TIP3 H228468 2.704 2.953 -1.704 7387TIP3 OH228469 2.788 2.663 -1.842 7387TIP3 H128470 2.717 2.624 -1.897 7387TIP3 H228471 2.781 2.609 -1.761 7388TIP3 OH228472 2.912 2.540 -0.998 7388TIP3 H128473 2.935 2.472 -1.065 7388TIP3 H228474 2.949 2.620 -1.039 7389TIP3 OH228475 2.362 2.240 -2.017 7389TIP3 H128476 2.294 2.302 -2.050 7389TIP3 H228477 2.431 2.249 -2.084 7390TIP3 OH228478 2.393 2.058 -2.305 7390TIP3 H128479 2.465 2.093 -2.250 7390TIP3 H228480 2.443 2.007 -2.371 7391TIP3 OH228481 2.739 2.203 -1.879 7391TIP3 H128482 2.664 2.261 -1.851 7391TIP3 H228483 2.746 2.155 -1.795 7392TIP3 OH228484 2.695 2.090 -1.022 7392TIP3 H128485 2.699 2.167 -0.964 7392TIP3 H228486 2.636 2.125 -1.090 7393TIP3 OH228487 1.875 2.320 -1.733 7393TIP3 H128488 1.841 2.275 -1.812 7393TIP3 H228489 1.935 2.254 -1.696 7394TIP3 OH228490 2.011 2.662 -1.458 7394TIP3 H128491 1.998 2.618 -1.543 7394TIP3 H228492 2.089 2.615 -1.423 7395TIP3 OH228493 1.929 2.208 -1.388 7395TIP3 H128494 1.993 2.207 -1.461 7395TIP3 H228495 1.970 2.267 -1.322 7396TIP3 OH228496 2.519 2.755 -1.325 7396TIP3 H128497 2.529 2.819 -1.253 7396TIP3 H228498 2.506 2.671 -1.277 7397TIP3 OH228499 2.016 2.633 -0.898 7397TIP3 H128500 1.963 2.699 -0.849 7397TIP3 H228501 1.952 2.605 -0.966 7398TIP3 OH228502 2.618 2.171 -2.154 7398TIP3 H128503 2.667 2.203 -2.076 7398TIP3 H228504 2.660 2.225 -2.225 7399TIP3 OH228505 1.712 2.277 -0.991 7399TIP3 H128506 1.717 2.324 -0.906 7399TIP3 H228507 1.617 2.252 -0.993 7400TIP3 OH228508 2.354 2.846 -1.806 7400TIP3 H128509 2.402 2.875 -1.727 7400TIP3 H228510 2.304 2.926 -1.831 7401TIP3 OH228511 1.824 2.853 -0.815 7401TIP3 H128512 1.814 2.853 -0.911 7401TIP3 H228513 1.737 2.824 -0.783 7402TIP3 OH228514 2.952 1.363 -2.211 7402TIP3 H128515 2.865 1.373 -2.167 7402TIP3 H228516 2.987 1.453 -2.206 7403TIP3 OH228517 1.764 2.194 -1.977 7403TIP3 H128518 1.743 2.270 -2.033 7403TIP3 H228519 1.698 2.129 -2.004 7404TIP3 OH228520 3.091 2.775 -2.360 7404TIP3 H128521 3.106 2.868 -2.336 7404TIP3 H228522 3.177 2.734 -2.339 7405TIP3 OH228523 1.369 2.461 -1.104 7405TIP3 H128524 1.326 2.459 -1.191 7405TIP3 H228525 1.387 2.367 -1.087 7406TIP3 OH228526 1.377 2.758 -1.413 7406TIP3 H128527 1.467 2.723 -1.407 7406TIP3 H228528 1.373 2.812 -1.333 7407TIP3 OH228529 3.213 2.801 -0.829 7407TIP3 H128530 3.198 2.705 -0.847 7407TIP3 H228531 3.121 2.828 -0.807 7408TIP3 OH228532 2.279 2.737 -0.954 7408TIP3 H128533 2.286 2.820 -0.902 7408TIP3 H228534 2.188 2.708 -0.931 7409TIP3 OH228535 2.306 3.119 -1.957 7409TIP3 H128536 2.309 3.129 -2.054 7409TIP3 H228537 2.313 3.211 -1.926 7410TIP3 OH228538 1.687 3.034 -1.793 7410TIP3 H128539 1.704 2.988 -1.708 7410TIP3 H228540 1.607 2.989 -1.823 7411TIP3 OH228541 2.638 3.061 -2.240 7411TIP3 H128542 2.695 2.995 -2.283 7411TIP3 H228543 2.632 3.024 -2.149 7412TIP3 OH228544 2.577 3.003 -1.960 7412TIP3 H128545 2.481 3.016 -1.944 7412TIP3 H228546 2.596 2.935 -1.893 7413TIP3 OH228547 2.875 1.942 -0.773 7413TIP3 H128548 2.877 2.001 -0.849 7413TIP3 H228549 2.904 1.858 -0.814 7414TIP3 OH228550 1.588 2.618 -0.978 7414TIP3 H128551 1.618 2.569 -0.899 7414TIP3 H228552 1.517 2.560 -1.013 7415TIP3 OH228553 1.901 1.460 -1.414 7415TIP3 H128554 1.809 1.441 -1.439 7415TIP3 H228555 1.887 1.525 -1.342 7416TIP3 OH228556 2.337 1.401 -1.026 7416TIP3 H128557 2.381 1.349 -0.957 7416TIP3 H228558 2.243 1.389 -1.008 7417TIP3 OH228559 2.652 1.796 -0.989 7417TIP3 H128560 2.608 1.790 -0.902 7417TIP3 H228561 2.662 1.893 -1.000 7418TIP3 OH228562 2.761 2.286 -2.359 7418TIP3 H128563 2.740 2.276 -2.454 7418TIP3 H228564 2.852 2.320 -2.364 7419TIP3 OH228565 2.332 1.671 -2.312 7419TIP3 H128566 2.280 1.660 -2.231 7419TIP3 H228567 2.289 1.606 -2.369 7420TIP3 OH228568 1.885 1.944 -1.269 7420TIP3 H128569 1.844 1.954 -1.182 7420TIP3 H228570 1.895 2.037 -1.299 7421TIP3 OH228571 1.889 1.953 -1.776 7421TIP3 H128572 1.793 1.942 -1.790 7421TIP3 H228573 1.923 1.929 -1.864 7422TIP3 OH228574 2.451 2.005 -1.900 7422TIP3 H128575 2.407 2.088 -1.926 7422TIP3 H228576 2.519 2.000 -1.967 7423TIP3 OH228577 2.377 2.034 -0.768 7423TIP3 H128578 2.321 1.965 -0.728 7423TIP3 H228579 2.464 2.015 -0.727 7424TIP3 OH228580 2.530 1.947 -1.617 7424TIP3 H128581 2.498 2.002 -1.691 7424TIP3 H228582 2.550 1.864 -1.664 7425TIP3 OH228583 1.621 1.964 -1.078 7425TIP3 H128584 1.666 1.985 -0.995 7425TIP3 H228585 1.597 1.870 -1.064 7426TIP3 OH228586 1.972 1.717 -2.423 7426TIP3 H128587 1.936 1.683 -2.338 7426TIP3 H228588 1.891 1.731 -2.474 7427TIP3 OH228589 1.308 1.693 -1.711 7427TIP3 H128590 1.370 1.694 -1.636 7427TIP3 H228591 1.361 1.656 -1.783 7428TIP3 OH228592 1.472 1.746 -2.143 7428TIP3 H128593 1.527 1.796 -2.207 7428TIP3 H228594 1.402 1.812 -2.124 7429TIP3 OH228595 2.444 2.115 -1.175 7429TIP3 H128596 2.490 2.041 -1.223 7429TIP3 H228597 2.416 2.071 -1.094 7430TIP3 OH228598 2.164 1.707 -1.672 7430TIP3 H128599 2.069 1.706 -1.647 7430TIP3 H228600 2.205 1.690 -1.585 7431TIP3 OH228601 1.622 1.831 -1.804 7431TIP3 H128602 1.540 1.859 -1.849 7431TIP3 H228603 1.649 1.752 -1.854 7432TIP3 OH228604 1.987 1.862 -2.037 7432TIP3 H128605 2.083 1.875 -2.030 7432TIP3 H228606 1.960 1.924 -2.107 7433TIP3 OH228607 2.604 1.623 -1.370 7433TIP3 H128608 2.542 1.622 -1.293 7433TIP3 H228609 2.544 1.590 -1.439 7434TIP3 OH228610 1.832 1.988 -2.257 7434TIP3 H128611 1.772 1.961 -2.329 7434TIP3 H228612 1.913 2.008 -2.308 7435TIP3 OH228613 2.905 3.202 -0.703 7435TIP3 H128614 2.929 3.245 -0.787 7435TIP3 H228615 2.977 3.231 -0.645 7436TIP3 OH228616 1.698 2.468 -0.761 7436TIP3 H128617 1.764 2.473 -0.689 7436TIP3 H228618 1.617 2.457 -0.707 7437TIP3 OH228619 2.264 1.958 -1.476 7437TIP3 H128620 2.336 1.911 -1.518 7437TIP3 H228621 2.242 1.898 -1.401 7438TIP3 OH228622 1.793 1.603 -1.876 7438TIP3 H128623 1.741 1.525 -1.852 7438TIP3 H228624 1.876 1.564 -1.907 7439TIP3 OH228625 2.168 1.801 -1.267 7439TIP3 H128626 2.074 1.824 -1.257 7439TIP3 H228627 2.200 1.809 -1.176 7440TIP3 OH228628 2.180 2.446 -2.074 7440TIP3 H128629 2.103 2.396 -2.110 7440TIP3 H228630 2.158 2.452 -1.978 7441TIP3 OH228631 2.929 2.359 -1.208 7441TIP3 H128632 2.988 2.388 -1.278 7441TIP3 H228633 2.844 2.349 -1.254 7442TIP3 OH228634 2.593 1.737 -2.271 7442TIP3 H128635 2.498 1.727 -2.295 7442TIP3 H228636 2.598 1.830 -2.249 7443TIP3 OH228637 2.343 2.448 -0.944 7443TIP3 H128638 2.312 2.415 -0.859 7443TIP3 H228639 2.313 2.541 -0.943 7444TIP3 OH228640 2.762 1.925 -2.034 7444TIP3 H128641 2.803 1.866 -2.100 7444TIP3 H228642 2.706 1.982 -2.091 7445TIP3 OH228643 1.692 2.388 -1.493 7445TIP3 H128644 1.750 2.375 -1.570 7445TIP3 H228645 1.702 2.303 -1.446 7446TIP3 OH228646 2.418 2.583 -2.183 7446TIP3 H128647 2.394 2.669 -2.144 7446TIP3 H228648 2.342 2.529 -2.155 7447TIP3 OH228649 1.423 2.216 -0.965 7447TIP3 H128650 1.432 2.170 -0.879 7447TIP3 H228651 1.363 2.155 -1.013 7448TIP3 OH228652 2.117 2.171 -0.772 7448TIP3 H128653 2.083 2.140 -0.858 7448TIP3 H228654 2.210 2.141 -0.780 7449TIP3 OH228655 2.567 2.708 -0.998 7449TIP3 H128656 2.471 2.717 -1.001 7449TIP3 H228657 2.588 2.732 -0.907 7450TIP3 OH228658 3.098 1.927 -2.094 7450TIP3 H128659 3.063 1.882 -2.173 7450TIP3 H228660 3.123 2.012 -2.135 7451TIP3 OH228661 3.162 2.522 -0.835 7451TIP3 H128662 3.066 2.513 -0.848 7451TIP3 H228663 3.194 2.470 -0.911 7452TIP3 OH228664 2.930 2.767 -2.117 7452TIP3 H128665 2.921 2.699 -2.049 7452TIP3 H228666 3.000 2.733 -2.175 7453TIP3 OH228667 2.674 2.301 -1.371 7453TIP3 H128668 2.581 2.282 -1.391 7453TIP3 H228669 2.720 2.227 -1.412 7454TIP3 OH228670 1.931 2.713 -1.771 7454TIP3 H128671 1.973 2.801 -1.779 7454TIP3 H228672 1.839 2.734 -1.789 7455TIP3 OH228673 1.529 2.195 -2.307 7455TIP3 H128674 1.586 2.263 -2.266 7455TIP3 H228675 1.442 2.217 -2.270 7456TIP3 OH228676 2.114 2.484 -1.806 7456TIP3 H128677 2.083 2.575 -1.790 7456TIP3 H228678 2.044 2.432 -1.763 7457TIP3 OH228679 2.130 2.910 -1.169 7457TIP3 H128680 2.187 2.984 -1.197 7457TIP3 H228681 2.191 2.859 -1.114 7458TIP3 OH228682 1.975 3.005 -1.846 7458TIP3 H128683 1.879 3.020 -1.836 7458TIP3 H228684 2.011 3.092 -1.821 7459TIP3 OH228685 2.473 2.480 -1.217 7459TIP3 H128686 2.445 2.457 -1.127 7459TIP3 H228687 2.551 2.424 -1.230 7460TIP3 OH228688 2.688 2.612 -2.321 7460TIP3 H128689 2.731 2.571 -2.244 7460TIP3 H228690 2.595 2.600 -2.295 7461TIP3 OH228691 2.760 2.945 -0.967 7461TIP3 H128692 2.688 2.898 -1.015 7461TIP3 H228693 2.778 3.019 -1.027 7462TIP3 OH228694 3.162 3.041 -2.267 7462TIP3 H128695 3.232 3.105 -2.287 7462TIP3 H228696 3.085 3.101 -2.267 7463TIP3 OH228697 1.556 1.684 -1.025 7463TIP3 H128698 1.462 1.713 -1.030 7463TIP3 H228699 1.547 1.598 -0.980 7464TIP3 OH228700 2.784 2.462 -2.083 7464TIP3 H128701 2.763 2.403 -2.010 7464TIP3 H228702 2.879 2.477 -2.072 7465TIP3 OH228703 1.527 2.854 -1.165 7465TIP3 H128704 1.555 2.763 -1.149 7465TIP3 H228705 1.548 2.895 -1.080 7466TIP3 OH228706 2.112 2.720 -2.463 7466TIP3 H128707 2.141 2.641 -2.512 7466TIP3 H228708 2.070 2.681 -2.385 7467TIP3 OH228709 1.998 2.672 -2.193 7467TIP3 H128710 2.046 2.619 -2.128 7467TIP3 H228711 2.011 2.763 -2.159 7468TIP3 OH228712 1.680 2.416 -2.153 7468TIP3 H128713 1.607 2.453 -2.100 7468TIP3 H228714 1.727 2.498 -2.179 7469TIP3 OH228715 2.449 1.650 -1.147 7469TIP3 H128716 2.509 1.681 -1.077 7469TIP3 H228717 2.397 1.581 -1.102 7470TIP3 OH228718 2.511 1.604 -2.023 7470TIP3 H128719 2.532 1.653 -2.104 7470TIP3 H228720 2.556 1.654 -1.954 7471TIP3 OH228721 2.292 2.834 -2.129 7471TIP3 H128722 2.210 2.883 -2.111 7471TIP3 H228723 2.327 2.882 -2.205 7472TIP3 OH228724 2.254 1.806 -1.929 7472TIP3 H128725 2.328 1.868 -1.911 7472TIP3 H228726 2.221 1.788 -1.839 7473TIP3 OH228727 2.280 1.887 -1.002 7473TIP3 H128728 2.300 1.952 -0.932 7473TIP3 H228729 2.352 1.824 -0.993 7474TIP3 OH228730 2.308 1.506 -1.836 7474TIP3 H128731 2.289 1.572 -1.767 7474TIP3 H228732 2.381 1.549 -1.884 7475TIP3 OH228733 2.011 2.942 -2.129 7475TIP3 H128734 2.005 3.024 -2.183 7475TIP3 H228735 1.998 2.976 -2.038 7476TIP3 OH228736 1.885 1.609 -2.184 7476TIP3 H128737 1.882 1.683 -2.121 7476TIP3 H228738 1.965 1.562 -2.155 7477TIP3 OH228739 2.916 1.702 -0.924 7477TIP3 H128740 2.820 1.711 -0.938 7477TIP3 H228741 2.941 1.677 -1.015 7478TIP3 OH228742 2.791 2.069 -1.596 7478TIP3 H128743 2.699 2.043 -1.580 7478TIP3 H228744 2.837 2.020 -1.525 7479TIP3 OH228745 1.724 2.698 -2.276 7479TIP3 H128746 1.798 2.746 -2.236 7479TIP3 H228747 1.773 2.646 -2.342 7480TIP3 OH228748 1.539 1.916 -2.365 7480TIP3 H128749 1.550 2.009 -2.341 7480TIP3 H228750 1.450 1.915 -2.402 7481TIP3 OH228751 2.862 2.971 -1.381 7481TIP3 H128752 2.858 3.056 -1.430 7481TIP3 H228753 2.956 2.967 -1.360 7482TIP3 OH228754 1.615 1.369 -1.469 7482TIP3 H128755 1.601 1.386 -1.564 7482TIP3 H228756 1.571 1.284 -1.454 7483TIP3 OH228757 1.520 2.768 -1.856 7483TIP3 H128758 1.441 2.819 -1.834 7483TIP3 H228759 1.557 2.820 -1.930 7484TIP3 OH228760 1.459 3.059 -0.743 7484TIP3 H128761 1.518 3.030 -0.671 7484TIP3 H228762 1.422 2.973 -0.772 7485TIP3 OH228763 1.928 2.962 -0.561 7485TIP3 H128764 2.000 2.899 -0.545 7485TIP3 H228765 1.905 2.940 -0.653 7486TIP3 OH228766 2.334 2.891 -2.413 7486TIP3 H128767 2.258 2.829 -2.422 7486TIP3 H228768 2.405 2.836 -2.450 7487TIP3 OH228769 2.572 2.796 -0.703 7487TIP3 H128770 2.539 2.711 -0.669 7487TIP3 H228771 2.646 2.815 -0.643 7488TIP3 OH228772 2.796 2.880 -2.403 7488TIP3 H128773 2.814 2.802 -2.348 7488TIP3 H228774 2.877 2.884 -2.458 7489TIP3 OH228775 1.456 2.426 -0.633 7489TIP3 H128776 1.464 2.332 -0.656 7489TIP3 H228777 1.379 2.452 -0.687 7490TIP3 OH228778 1.877 2.464 -2.430 7490TIP3 H128779 1.892 2.405 -2.354 7490TIP3 H228780 1.963 2.459 -2.474 7491TIP3 OH228781 2.118 2.441 -0.696 7491TIP3 H128782 2.089 2.474 -0.782 7491TIP3 H228783 2.125 2.345 -0.712 7492TIP3 OH228784 2.401 2.597 -2.468 7492TIP3 H128785 2.396 2.593 -2.371 7492TIP3 H228786 2.396 2.501 -2.489 7493TIP3 OH228787 2.659 2.402 -0.958 7493TIP3 H128788 2.735 2.458 -0.982 7493TIP3 H228789 2.586 2.467 -0.960 7494TIP3 OH228790 1.570 2.138 -0.715 7494TIP3 H128791 1.628 2.061 -0.707 7494TIP3 H228792 1.548 2.153 -0.622 7495TIP3 OH228793 1.986 2.272 -2.195 7495TIP3 H128794 1.924 2.222 -2.140 7495TIP3 H228795 2.014 2.203 -2.258 7496TIP3 OH228796 1.900 2.034 -0.974 7496TIP3 H128797 1.861 2.116 -0.940 7496TIP3 H228798 1.973 2.067 -1.029 7497TIP3 OH228799 2.080 2.073 -2.370 7497TIP3 H128800 2.075 2.081 -2.467 7497TIP3 H228801 2.176 2.071 -2.355 7498TIP3 OH228802 2.442 2.322 -0.611 7498TIP3 H128803 2.532 2.306 -0.642 7498TIP3 H228804 2.416 2.234 -0.579 7499TIP3 OH228805 3.031 2.324 -2.436 7499TIP3 H128806 3.021 2.283 -2.523 7499TIP3 H228807 3.021 2.419 -2.460 7500TIP3 OH228808 2.155 2.168 -1.068 7500TIP3 H128809 2.237 2.159 -1.120 7500TIP3 H228810 2.122 2.254 -1.100 7501TIP3 OH228811 2.617 1.967 -0.591 7501TIP3 H128812 2.635 1.872 -0.584 7501TIP3 H228813 2.707 2.000 -0.610 7502TIP3 OH228814 2.747 2.247 -0.753 7502TIP3 H128815 2.707 2.308 -0.818 7502TIP3 H228816 2.832 2.230 -0.794 7503TIP3 OH228817 1.812 1.925 -0.681 7503TIP3 H128818 1.740 1.859 -0.678 7503TIP3 H228819 1.868 1.895 -0.754 7504TIP3 OH228820 2.178 1.841 -0.682 7504TIP3 H128821 2.167 1.788 -0.601 7504TIP3 H228822 2.117 1.801 -0.745 7505TIP3 OH228823 2.445 1.720 -0.789 7505TIP3 H128824 2.357 1.715 -0.750 7505TIP3 H228825 2.494 1.652 -0.739 7506TIP3 OH228826 2.623 1.543 -0.646 7506TIP3 H128827 2.627 1.449 -0.621 7506TIP3 H228828 2.616 1.588 -0.560 7507TIP3 OH228829 2.057 3.197 -2.260 7507TIP3 H128830 2.153 3.208 -2.249 7507TIP3 H228831 2.044 3.242 -2.344 7508TIP3 OH228832 1.448 2.638 -2.309 7508TIP3 H128833 1.543 2.655 -2.293 7508TIP3 H228834 1.449 2.557 -2.364 7509TIP3 OH228835 1.344 3.158 -1.827 7509TIP3 H128836 1.276 3.118 -1.885 7509TIP3 H228837 1.358 3.086 -1.762 7510TIP3 OH228838 1.385 2.959 -1.634 7510TIP3 H128839 1.357 2.871 -1.603 7510TIP3 H228840 1.423 2.992 -1.551 7511TIP3 OH228841 3.143 3.108 -1.333 7511TIP3 H128842 3.156 3.069 -1.246 7511TIP3 H228843 3.233 3.106 -1.368 7512TIP3 OH228844 3.129 3.027 -1.040 7512TIP3 H128845 3.081 2.952 -1.080 7512TIP3 H228846 3.190 2.978 -0.983 7513TIP3 OH228847 2.927 2.570 -0.615 7513TIP3 H128848 2.840 2.580 -0.573 7513TIP3 H228849 2.975 2.650 -0.588 7514TIP3 OH228850 3.075 2.452 -2.041 7514TIP3 H128851 3.162 2.492 -2.020 7514TIP3 H228852 3.058 2.400 -1.961 7515TIP3 OH228853 3.076 2.191 -1.811 7515TIP3 H128854 3.032 2.199 -1.725 7515TIP3 H228855 3.159 2.239 -1.788 7516TIP3 OH228856 2.962 2.808 -1.120 7516TIP3 H128857 2.882 2.832 -1.071 7516TIP3 H228858 2.927 2.762 -1.198 7517TIP3 OH228859 3.133 2.200 -2.181 7517TIP3 H128860 3.090 2.226 -2.264 7517TIP3 H228861 3.130 2.285 -2.133 7518TIP3 OH228862 2.968 1.959 -2.361 7518TIP3 H128863 2.994 2.018 -2.432 7518TIP3 H228864 2.947 1.877 -2.409 7519TIP3 OH228865 1.395 2.294 -1.394 7519TIP3 H128866 1.420 2.298 -1.488 7519TIP3 H228867 1.481 2.271 -1.353 7520TIP3 OH228868 2.912 1.696 -2.436 7520TIP3 H128869 2.975 1.642 -2.385 7520TIP3 H228870 2.837 1.636 -2.451 7521TIP3 OH228871 2.924 1.885 -1.413 7521TIP3 H128872 3.021 1.900 -1.407 7521TIP3 H228873 2.902 1.894 -1.319 7522TIP3 OH228874 2.940 1.969 -1.137 7522TIP3 H128875 2.857 2.004 -1.099 7522TIP3 H228876 2.999 2.045 -1.123 7523TIP3 OH228877 3.201 1.367 -0.589 7523TIP3 H128878 3.212 1.295 -0.652 7523TIP3 H228879 3.190 1.444 -0.648 7524TIP3 OH228880 2.938 1.594 -1.950 7524TIP3 H128881 2.953 1.561 -1.859 7524TIP3 H228882 2.865 1.536 -1.979 7525TIP3 OH228883 1.470 1.648 -1.478 7525TIP3 H128884 1.510 1.564 -1.452 7525TIP3 H228885 1.535 1.711 -1.440 7526TIP3 OH228886 1.320 1.925 -1.370 7526TIP3 H128887 1.378 1.928 -1.447 7526TIP3 H228888 1.353 2.000 -1.318 7527TIP3 OH228889 3.128 1.565 -0.762 7527TIP3 H128890 3.043 1.612 -0.761 7527TIP3 H228891 3.120 1.517 -0.846 7528TIP3 OH228892 3.142 1.594 -2.287 7528TIP3 H128893 3.170 1.510 -2.326 7528TIP3 H228894 3.227 1.640 -2.276 7529TIP3 OH228895 1.369 1.544 -1.973 7529TIP3 H128896 1.273 1.561 -1.977 7529TIP3 H228897 1.407 1.616 -2.027 7530TIP3 OH228898 2.828 3.095 -1.755 7530TIP3 H128899 2.878 3.064 -1.833 7530TIP3 H228900 2.899 3.123 -1.696 7531TIP3 OH228901 1.368 1.428 -1.180 7531TIP3 H128902 1.309 1.430 -1.102 7531TIP3 H228903 1.324 1.493 -1.236 7532TIP3 OH228904 1.570 2.769 -0.680 7532TIP3 H128905 1.500 2.756 -0.746 7532TIP3 H228906 1.523 2.753 -0.597 7533TIP3 OH228907 1.854 2.859 -1.114 7533TIP3 H128908 1.824 2.944 -1.149 7533TIP3 H228909 1.950 2.867 -1.131 7534TIP3 OH228910 2.304 2.991 -0.812 7534TIP3 H128911 2.321 2.972 -0.719 7534TIP3 H228912 2.387 3.034 -0.839 7535TIP3 OH228913 2.533 3.135 -0.889 7535TIP3 H128914 2.603 3.073 -0.914 7535TIP3 H228915 2.564 3.165 -0.802 7536TIP3 OH228916 3.029 1.398 -0.973 7536TIP3 H128917 2.942 1.423 -1.009 7536TIP3 H228918 3.034 1.306 -1.005 7537TIP3 OH228919 1.592 3.155 -1.081 7537TIP3 H128920 1.531 3.218 -1.124 7537TIP3 H228921 1.558 3.157 -0.991 7538TIP3 OH228922 1.840 3.131 -1.226 7538TIP3 H128923 1.755 3.150 -1.181 7538TIP3 H228924 1.844 3.202 -1.293 7539TIP3 OH228925 2.315 3.131 -1.270 7539TIP3 H128926 2.278 3.177 -1.347 7539TIP3 H228927 2.325 3.205 -1.206 7540TIP3 OH228928 2.548 3.002 -1.178 7540TIP3 H128929 2.465 3.040 -1.211 7540TIP3 H228930 2.607 3.079 -1.180 7541TIP3 OH228931 2.799 3.176 -1.158 7541TIP3 H128932 2.798 3.270 -1.183 7541TIP3 H228933 2.832 3.135 -1.240 7542TIP3 OH228934 1.549 3.034 -1.387 7542TIP3 H128935 1.547 2.985 -1.301 7542TIP3 H228936 1.625 2.990 -1.430 7543TIP3 OH228937 1.752 2.909 -1.543 7543TIP3 H128938 1.736 2.816 -1.516 7543TIP3 H228939 1.843 2.924 -1.511 7544TIP3 OH228940 2.027 2.955 -1.454 7544TIP3 H128941 2.046 2.862 -1.475 7544TIP3 H228942 2.035 2.953 -1.357 7545TIP3 OH228943 2.362 1.545 -1.525 7545TIP3 H128944 2.290 1.481 -1.508 7545TIP3 H228945 2.421 1.494 -1.582 7546TIP3 OH228946 2.857 1.346 -1.480 7546TIP3 H128947 2.931 1.393 -1.523 7546TIP3 H228948 2.780 1.376 -1.532 7547TIP3 OH228949 3.060 1.459 -1.700 7547TIP3 H128950 3.132 1.415 -1.749 7547TIP3 H228951 3.097 1.548 -1.684 7548TIP3 OH228952 1.605 1.406 -1.761 7548TIP3 H128953 1.516 1.396 -1.799 7548TIP3 H228954 1.644 1.319 -1.774 7549TIP3 OH228955 1.480 1.361 -2.180 7549TIP3 H128956 1.530 1.429 -2.229 7549TIP3 H228957 1.438 1.414 -2.110 7550TIP3 OH228958 2.040 1.388 -1.784 7550TIP3 H128959 2.130 1.423 -1.793 7550TIP3 H228960 2.032 1.386 -1.687 7551TIP3 OH228961 2.600 1.403 -1.640 7551TIP3 H128962 2.631 1.382 -1.730 7551TIP3 H228963 2.563 1.317 -1.612 7552TIP3 OH228964 2.718 1.406 -2.043 7552TIP3 H128965 2.633 1.453 -2.053 7552TIP3 H228966 2.688 1.316 -2.023 7553TIP3 OH228967 1.494 2.961 -2.062 7553TIP3 H128968 1.431 2.947 -2.135 7553TIP3 H228969 1.494 3.057 -2.057 7554TIP3 OH228970 1.647 1.545 -2.336 7554TIP3 H128971 1.710 1.492 -2.388 7554TIP3 H228972 1.705 1.580 -2.266 7555TIP3 OH228973 2.158 1.564 -2.076 7555TIP3 H128974 2.193 1.508 -2.004 7555TIP3 H228975 2.175 1.651 -2.037 7556TIP3 OH228976 2.362 3.144 -2.252 7556TIP3 H128977 2.460 3.144 -2.256 7556TIP3 H228978 2.342 3.078 -2.320 7557TIP3 OH228979 3.012 3.047 -1.994 7557TIP3 H128980 2.989 2.963 -2.038 7557TIP3 H228981 3.009 3.109 -2.069 7558TIP3 OH228982 1.638 3.056 -2.384 7558TIP3 H128983 1.616 3.083 -2.293 7558TIP3 H228984 1.715 2.998 -2.370 7559TIP3 OH228985 2.961 2.922 -0.751 7559TIP3 H128986 2.892 2.903 -0.817 7559TIP3 H228987 2.947 3.017 -0.737 7560TIP3 OH228988 4.187 2.217 -1.456 7560TIP3 H128989 4.250 2.226 -1.382 7560TIP3 H228990 4.234 2.148 -1.506 7561TIP3 OH228991 3.527 2.192 -1.277 7561TIP3 H128992 3.517 2.114 -1.219 7561TIP3 H228993 3.572 2.253 -1.218 7562TIP3 OH228994 3.613 2.665 -1.424 7562TIP3 H128995 3.549 2.593 -1.437 7562TIP3 H228996 3.692 2.617 -1.397 7563TIP3 OH228997 3.280 1.984 -1.883 7563TIP3 H128998 3.251 2.075 -1.861 7563TIP3 H228999 3.214 1.953 -1.946 7564TIP3 OH229000 3.340 2.232 -1.715 7564TIP3 H129001 3.351 2.179 -1.634 7564TIP3 H229002 3.431 2.263 -1.729 7565TIP3 OH229003 3.727 1.704 -1.622 7565TIP3 H129004 3.754 1.793 -1.650 7565TIP3 H229005 3.689 1.668 -1.704 7566TIP3 OH229006 3.413 1.983 -1.563 7566TIP3 H129007 3.481 1.946 -1.505 7566TIP3 H229008 3.430 1.936 -1.646 7567TIP3 OH229009 3.618 1.593 -1.194 7567TIP3 H129010 3.597 1.653 -1.267 7567TIP3 H229011 3.556 1.623 -1.126 7568TIP3 OH229012 3.929 2.395 -1.204 7568TIP3 H129013 3.845 2.435 -1.175 7568TIP3 H229014 3.987 2.472 -1.199 7569TIP3 OH229015 3.611 1.819 -1.394 7569TIP3 H129016 3.678 1.878 -1.356 7569TIP3 H229017 3.665 1.778 -1.465 7570TIP3 OH229018 3.717 2.569 -1.115 7570TIP3 H129019 3.712 2.661 -1.149 7570TIP3 H229020 3.628 2.564 -1.074 7571TIP3 OH229021 3.344 2.543 -2.030 7571TIP3 H129022 3.328 2.596 -2.109 7571TIP3 H229023 3.364 2.612 -1.962 7572TIP3 OH229024 4.042 1.347 -1.493 7572TIP3 H129025 4.015 1.253 -1.491 7572TIP3 H229026 3.963 1.389 -1.453 7573TIP3 OH229027 4.261 2.226 -2.027 7573TIP3 H129028 4.198 2.298 -2.046 7573TIP3 H229029 4.336 2.251 -2.081 7574TIP3 OH229030 4.288 2.075 -2.307 7574TIP3 H129031 4.369 2.075 -2.254 7574TIP3 H229032 4.296 1.997 -2.362 7575TIP3 OH229033 3.801 2.286 -1.729 7575TIP3 H129034 3.738 2.274 -1.803 7575TIP3 H229035 3.811 2.193 -1.703 7576TIP3 OH229036 3.911 2.614 -1.450 7576TIP3 H129037 3.904 2.625 -1.546 7576TIP3 H229038 4.003 2.632 -1.429 7577TIP3 OH229039 3.846 2.220 -1.430 7577TIP3 H129040 3.865 2.125 -1.428 7577TIP3 H229041 3.830 2.238 -1.335 7578TIP3 OH229042 3.903 2.635 -0.900 7578TIP3 H129043 3.852 2.701 -0.850 7578TIP3 H229044 3.837 2.608 -0.967 7579TIP3 OH229045 3.576 2.260 -0.985 7579TIP3 H129046 3.584 2.315 -0.905 7579TIP3 H229047 3.480 2.260 -0.996 7580TIP3 OH229048 4.245 2.842 -1.807 7580TIP3 H129049 4.299 2.891 -1.743 7580TIP3 H229050 4.199 2.913 -1.854 7581TIP3 OH229051 3.711 2.849 -0.816 7581TIP3 H129052 3.700 2.853 -0.913 7581TIP3 H229053 3.623 2.823 -0.785 7582TIP3 OH229054 3.652 2.198 -1.971 7582TIP3 H129055 3.629 2.270 -2.031 7582TIP3 H229056 3.591 2.128 -1.997 7583TIP3 OH229057 3.269 2.433 -1.101 7583TIP3 H129058 3.231 2.446 -1.189 7583TIP3 H229059 3.231 2.346 -1.076 7584TIP3 OH229060 4.171 2.737 -0.950 7584TIP3 H129061 4.181 2.824 -0.909 7584TIP3 H229062 4.080 2.710 -0.925 7585TIP3 OH229063 4.184 3.119 -1.959 7585TIP3 H129064 4.206 3.123 -2.053 7585TIP3 H229065 4.208 3.206 -1.926 7586TIP3 OH229066 3.573 3.033 -1.793 7586TIP3 H129067 3.590 2.987 -1.708 7586TIP3 H229068 3.489 2.992 -1.819 7587TIP3 OH229069 3.475 2.613 -0.981 7587TIP3 H129070 3.501 2.564 -0.901 7587TIP3 H229071 3.398 2.562 -1.014 7588TIP3 OH229072 3.795 1.454 -1.401 7588TIP3 H129073 3.711 1.457 -1.451 7588TIP3 H229074 3.792 1.541 -1.357 7589TIP3 OH229075 4.233 1.401 -0.974 7589TIP3 H129076 4.244 1.325 -0.914 7589TIP3 H229077 4.142 1.385 -1.007 7590TIP3 OH229078 4.234 1.678 -2.300 7590TIP3 H129079 4.168 1.659 -2.232 7590TIP3 H229080 4.206 1.615 -2.368 7591TIP3 OH229081 3.788 1.980 -1.764 7591TIP3 H129082 3.694 1.962 -1.774 7591TIP3 H229083 3.823 1.945 -1.848 7592TIP3 OH229084 4.297 1.969 -1.883 7592TIP3 H129085 4.273 2.062 -1.897 7592TIP3 H229086 4.323 1.940 -1.971 7593TIP3 OH229087 4.252 2.033 -0.746 7593TIP3 H129088 4.194 1.954 -0.742 7593TIP3 H229089 4.337 1.985 -0.744 7594TIP3 OH229090 3.525 1.954 -1.093 7594TIP3 H129091 3.535 2.000 -1.009 7594TIP3 H229092 3.484 1.870 -1.067 7595TIP3 OH229093 3.866 1.723 -2.425 7595TIP3 H129094 3.827 1.688 -2.342 7595TIP3 H229095 3.787 1.734 -2.480 7596TIP3 OH229096 3.201 1.706 -1.714 7596TIP3 H129097 3.263 1.711 -1.639 7596TIP3 H229098 3.253 1.663 -1.783 7597TIP3 OH229099 3.357 1.745 -2.143 7597TIP3 H129100 3.413 1.794 -2.207 7597TIP3 H229101 3.290 1.812 -2.123 7598TIP3 OH229102 4.359 2.073 -1.135 7598TIP3 H129103 4.365 2.016 -1.216 7598TIP3 H229104 4.272 2.051 -1.104 7599TIP3 OH229105 4.044 1.691 -1.668 7599TIP3 H129106 3.951 1.699 -1.642 7599TIP3 H229107 4.085 1.723 -1.586 7600TIP3 OH229108 3.517 1.837 -1.808 7600TIP3 H129109 3.432 1.862 -1.847 7600TIP3 H229110 3.544 1.758 -1.858 7601TIP3 OH229111 3.864 1.864 -2.033 7601TIP3 H129112 3.960 1.869 -2.027 7601TIP3 H229113 3.840 1.926 -2.104 7602TIP3 OH229114 3.721 1.992 -2.259 7602TIP3 H129115 3.661 1.962 -2.329 7602TIP3 H229116 3.804 2.004 -2.309 7603TIP3 OH229117 3.582 2.462 -0.763 7603TIP3 H129118 3.649 2.471 -0.692 7603TIP3 H229119 3.502 2.455 -0.709 7604TIP3 OH229120 3.674 1.602 -1.884 7604TIP3 H129121 3.622 1.523 -1.860 7604TIP3 H229122 3.761 1.564 -1.903 7605TIP3 OH229123 4.071 2.433 -2.073 7605TIP3 H129124 3.995 2.385 -2.113 7605TIP3 H229125 4.048 2.435 -1.979 7606TIP3 OH229126 4.209 2.438 -0.948 7606TIP3 H129127 4.183 2.422 -0.857 7606TIP3 H229128 4.214 2.535 -0.953 7607TIP3 OH229129 3.569 2.374 -1.504 7607TIP3 H129130 3.648 2.361 -1.557 7607TIP3 H229131 3.569 2.296 -1.446 7608TIP3 OH229132 4.287 2.575 -2.175 7608TIP3 H129133 4.260 2.665 -2.146 7608TIP3 H229134 4.211 2.523 -2.144 7609TIP3 OH229135 3.999 2.162 -0.764 7609TIP3 H129136 3.959 2.130 -0.847 7609TIP3 H229137 4.093 2.137 -0.777 7610TIP3 OH229138 3.820 2.713 -1.771 7610TIP3 H129139 3.856 2.802 -1.780 7610TIP3 H229140 3.725 2.730 -1.778 7611TIP3 OH229141 3.415 2.194 -2.304 7611TIP3 H129142 3.475 2.260 -2.266 7611TIP3 H229143 3.329 2.230 -2.277 7612TIP3 OH229144 3.996 2.480 -1.754 7612TIP3 H129145 3.973 2.570 -1.783 7612TIP3 H229146 3.911 2.432 -1.769 7613TIP3 OH229147 4.022 2.911 -1.170 7613TIP3 H129148 4.078 2.985 -1.200 7613TIP3 H229149 4.083 2.863 -1.112 7614TIP3 OH229150 3.859 3.004 -1.846 7614TIP3 H129151 3.764 3.019 -1.834 7614TIP3 H229152 3.896 3.091 -1.821 7615TIP3 OH229153 3.426 1.686 -0.988 7615TIP3 H129154 3.339 1.707 -1.026 7615TIP3 H229155 3.414 1.593 -0.963 7616TIP3 OH229156 3.419 2.869 -1.161 7616TIP3 H129157 3.414 2.773 -1.174 7616TIP3 H229158 3.445 2.875 -1.069 7617TIP3 OH229159 3.993 2.724 -2.463 7617TIP3 H129160 4.029 2.648 -2.513 7617TIP3 H229161 3.957 2.680 -2.384 7618TIP3 OH229162 3.885 2.667 -2.188 7618TIP3 H129163 3.936 2.619 -2.121 7618TIP3 H229164 3.897 2.760 -2.159 7619TIP3 OH229165 3.566 2.416 -2.152 7619TIP3 H129166 3.493 2.455 -2.099 7619TIP3 H229167 3.612 2.496 -2.181 7620TIP3 OH229168 4.346 1.711 -1.106 7620TIP3 H129169 4.358 1.642 -1.040 7620TIP3 H229170 4.275 1.675 -1.162 7621TIP3 OH229171 4.167 2.831 -2.136 7621TIP3 H129172 4.089 2.884 -2.112 7621TIP3 H229173 4.211 2.889 -2.199 7622TIP3 OH229174 4.114 1.778 -1.928 7622TIP3 H129175 4.185 1.841 -1.900 7622TIP3 H229176 4.079 1.758 -1.839 7623TIP3 OH229177 4.147 1.863 -0.984 7623TIP3 H129178 4.169 1.955 -0.964 7623TIP3 H229179 4.223 1.832 -1.036 7624TIP3 OH229180 4.195 1.502 -1.810 7624TIP3 H129181 4.163 1.579 -1.757 7624TIP3 H229182 4.272 1.541 -1.855 7625TIP3 OH229183 3.894 2.940 -2.130 7625TIP3 H129184 3.891 3.022 -2.183 7625TIP3 H229185 3.880 2.974 -2.039 7626TIP3 OH229186 3.773 1.612 -2.190 7626TIP3 H129187 3.767 1.681 -2.122 7626TIP3 H229188 3.850 1.561 -2.161 7627TIP3 OH229189 3.610 2.695 -2.276 7627TIP3 H129190 3.682 2.747 -2.235 7627TIP3 H229191 3.661 2.646 -2.342 7628TIP3 OH229192 3.421 1.914 -2.359 7628TIP3 H129193 3.436 2.009 -2.340 7628TIP3 H229194 3.340 1.915 -2.411 7629TIP3 OH229195 3.513 1.419 -1.484 7629TIP3 H129196 3.496 1.419 -1.581 7629TIP3 H229197 3.479 1.333 -1.456 7630TIP3 OH229198 3.404 2.760 -1.868 7630TIP3 H129199 3.336 2.807 -1.817 7630TIP3 H229200 3.435 2.828 -1.930 7631TIP3 OH229201 3.342 3.055 -0.744 7631TIP3 H129202 3.402 3.028 -0.673 7631TIP3 H229203 3.304 2.970 -0.771 7632TIP3 OH229204 3.813 2.963 -0.563 7632TIP3 H129205 3.882 2.897 -0.545 7632TIP3 H229206 3.789 2.940 -0.655 7633TIP3 OH229207 4.231 2.889 -2.431 7633TIP3 H129208 4.147 2.837 -2.430 7633TIP3 H229209 4.294 2.816 -2.445 7634TIP3 OH229210 3.338 2.415 -0.626 7634TIP3 H129211 3.356 2.329 -0.670 7634TIP3 H229212 3.264 2.448 -0.681 7635TIP3 OH229213 3.762 2.464 -2.430 7635TIP3 H129214 3.779 2.405 -2.355 7635TIP3 H229215 3.848 2.461 -2.476 7636TIP3 OH229216 4.010 2.442 -0.700 7636TIP3 H129217 3.977 2.474 -0.785 7636TIP3 H229218 4.015 2.345 -0.714 7637TIP3 OH229219 4.260 2.597 -2.474 7637TIP3 H129220 4.279 2.607 -2.379 7637TIP3 H229221 4.244 2.501 -2.479 7638TIP3 OH229222 3.442 2.157 -0.704 7638TIP3 H129223 3.479 2.071 -0.726 7638TIP3 H229224 3.388 2.137 -0.627 7639TIP3 OH229225 3.872 2.270 -2.194 7639TIP3 H129226 3.808 2.219 -2.142 7639TIP3 H229227 3.902 2.202 -2.258 7640TIP3 OH229228 3.808 2.057 -0.964 7640TIP3 H129229 3.737 2.123 -0.963 7640TIP3 H229230 3.848 2.071 -1.051 7641TIP3 OH229231 3.979 2.072 -2.367 7641TIP3 H129232 3.970 2.078 -2.464 7641TIP3 H229233 4.075 2.085 -2.356 7642TIP3 OH229234 4.285 2.297 -0.598 7642TIP3 H129235 4.355 2.267 -0.655 7642TIP3 H229236 4.266 2.215 -0.549 7643TIP3 OH229237 3.846 1.776 -0.857 7643TIP3 H129238 3.869 1.715 -0.928 7643TIP3 H229239 3.839 1.860 -0.905 7644TIP3 OH229240 3.908 1.640 -1.145 7644TIP3 H129241 3.946 1.712 -1.199 7644TIP3 H229242 3.813 1.653 -1.161 7645TIP3 OH229243 4.082 2.162 -1.072 7645TIP3 H129244 4.120 2.145 -1.158 7645TIP3 H229245 4.040 2.248 -1.087 7646TIP3 OH229246 3.671 1.950 -0.660 7646TIP3 H129247 3.621 1.871 -0.688 7646TIP3 H229248 3.748 1.945 -0.718 7647TIP3 OH229249 3.965 1.375 -1.072 7647TIP3 H129250 3.953 1.468 -1.101 7647TIP3 H229251 3.902 1.329 -1.130 7648TIP3 OH229252 4.105 1.804 -0.696 7648TIP3 H129253 4.056 1.781 -0.615 7648TIP3 H229254 4.038 1.786 -0.765 7649TIP3 OH229255 3.542 1.712 -0.684 7649TIP3 H129256 3.522 1.663 -0.765 7649TIP3 H229257 3.502 1.656 -0.615 7650TIP3 OH229258 3.943 1.308 -0.795 7650TIP3 H129259 4.005 1.234 -0.789 7650TIP3 H229260 3.943 1.326 -0.891 7651TIP3 OH229261 4.033 1.486 -0.598 7651TIP3 H129262 4.010 1.433 -0.676 7651TIP3 H229263 3.974 1.562 -0.606 7652TIP3 OH229264 3.956 3.194 -2.259 7652TIP3 H129265 4.052 3.202 -2.251 7652TIP3 H229266 3.941 3.243 -2.341 7653TIP3 OH229267 3.334 2.637 -2.306 7653TIP3 H129268 3.429 2.656 -2.293 7653TIP3 H229269 3.337 2.559 -2.365 7654TIP3 OH229270 3.234 3.154 -1.830 7654TIP3 H129271 3.162 3.116 -1.883 7654TIP3 H229272 3.244 3.085 -1.760 7655TIP3 OH229273 3.272 2.946 -1.630 7655TIP3 H129274 3.242 2.858 -1.597 7655TIP3 H229275 3.305 2.978 -1.544 7656TIP3 OH229276 3.256 2.259 -1.396 7656TIP3 H129277 3.269 2.327 -1.464 7656TIP3 H229278 3.335 2.271 -1.340 7657TIP3 OH229279 3.272 1.836 -0.696 7657TIP3 H129280 3.336 1.838 -0.768 7657TIP3 H229281 3.198 1.788 -0.735 7658TIP3 OH229282 3.362 1.675 -1.469 7658TIP3 H129283 3.405 1.588 -1.460 7658TIP3 H229284 3.430 1.733 -1.432 7659TIP3 OH229285 3.202 1.950 -1.358 7659TIP3 H129286 3.266 1.939 -1.430 7659TIP3 H229287 3.227 2.039 -1.328 7660TIP3 OH229288 3.236 1.558 -1.970 7660TIP3 H129289 3.143 1.583 -1.984 7660TIP3 H229290 3.285 1.620 -2.028 7661TIP3 OH229291 3.254 1.448 -1.150 7661TIP3 H129292 3.183 1.430 -1.086 7661TIP3 H229293 3.207 1.504 -1.214 7662TIP3 OH229294 3.456 2.760 -0.682 7662TIP3 H129295 3.385 2.753 -0.748 7662TIP3 H229296 3.406 2.758 -0.599 7663TIP3 OH229297 3.743 2.858 -1.112 7663TIP3 H129298 3.704 2.939 -1.148 7663TIP3 H229299 3.837 2.873 -1.131 7664TIP3 OH229300 4.221 3.021 -0.825 7664TIP3 H129301 4.204 2.987 -0.736 7664TIP3 H229302 4.315 3.044 -0.817 7665TIP3 OH229303 3.485 3.164 -1.077 7665TIP3 H129304 3.420 3.217 -1.125 7665TIP3 H229305 3.441 3.154 -0.992 7666TIP3 OH229306 3.731 3.133 -1.224 7666TIP3 H129307 3.645 3.147 -1.179 7666TIP3 H229308 3.729 3.203 -1.291 7667TIP3 OH229309 4.197 3.108 -1.269 7667TIP3 H129310 4.177 3.159 -1.350 7667TIP3 H229311 4.258 3.167 -1.222 7668TIP3 OH229312 3.435 3.036 -1.385 7668TIP3 H129313 3.422 2.981 -1.304 7668TIP3 H229314 3.504 2.983 -1.429 7669TIP3 OH229315 3.638 2.906 -1.551 7669TIP3 H129316 3.616 2.817 -1.514 7669TIP3 H229317 3.721 2.925 -1.505 7670TIP3 OH229318 3.915 2.961 -1.453 7670TIP3 H129319 3.933 2.869 -1.475 7670TIP3 H229320 3.919 2.959 -1.356 7671TIP3 OH229321 4.275 1.504 -1.522 7671TIP3 H129322 4.185 1.470 -1.506 7671TIP3 H229323 4.292 1.470 -1.610 7672TIP3 OH229324 3.478 1.415 -1.768 7672TIP3 H129325 3.392 1.397 -1.810 7672TIP3 H229326 3.522 1.329 -1.780 7673TIP3 OH229327 3.360 1.365 -2.179 7673TIP3 H129328 3.412 1.431 -2.228 7673TIP3 H229329 3.318 1.419 -2.110 7674TIP3 OH229330 3.930 1.397 -1.780 7674TIP3 H129331 4.022 1.427 -1.787 7674TIP3 H229332 3.922 1.389 -1.684 7675TIP3 OH229333 3.383 2.962 -2.067 7675TIP3 H129334 3.316 2.950 -2.136 7675TIP3 H229335 3.378 3.057 -2.054 7676TIP3 OH229336 3.532 1.548 -2.337 7676TIP3 H129337 3.592 1.491 -2.388 7676TIP3 H229338 3.593 1.582 -2.268 7677TIP3 OH229339 4.066 1.562 -2.082 7677TIP3 H129340 4.064 1.498 -2.009 7677TIP3 H229341 4.062 1.647 -2.033 7678TIP3 OH229342 4.263 3.124 -2.254 7678TIP3 H129343 4.351 3.162 -2.272 7678TIP3 H229344 4.249 3.066 -2.331 7679TIP3 OH229345 3.461 1.430 -0.821 7679TIP3 H129346 3.426 1.357 -0.768 7679TIP3 H229347 3.554 1.431 -0.791 7680TIP3 OH229348 3.695 1.378 -0.642 7680TIP3 H129349 3.780 1.346 -0.678 7680TIP3 H229350 3.665 1.299 -0.594 7681TIP3 OH229351 3.524 3.055 -2.384 7681TIP3 H129352 3.499 3.080 -2.293 7681TIP3 H229353 3.601 2.998 -2.369 7682TIP3 OH229354 -3.158 4.202 -1.760 7682TIP3 H129355 -3.188 4.294 -1.758 7682TIP3 H229356 -3.233 4.161 -1.806 7683TIP3 OH229357 -3.280 4.133 -1.432 7683TIP3 H129358 -3.275 4.080 -1.350 7683TIP3 H229359 -3.303 4.067 -1.498 7684TIP3 OH229360 -4.021 4.074 -1.276 7684TIP3 H129361 -4.033 4.005 -1.208 7684TIP3 H229362 -3.967 4.138 -1.227 7685TIP3 OH229363 -4.212 3.922 -1.995 7685TIP3 H129364 -4.234 4.000 -1.942 7685TIP3 H229365 -4.299 3.879 -2.004 7686TIP3 OH229366 -4.194 4.120 -1.721 7686TIP3 H129367 -4.196 4.057 -1.648 7686TIP3 H229368 -4.100 4.142 -1.721 7687TIP3 OH229369 -2.559 3.521 -1.313 7687TIP3 H129370 -2.536 3.585 -1.243 7687TIP3 H229371 -2.499 3.550 -1.384 7688TIP3 OH229372 -3.095 3.804 -1.326 7688TIP3 H129373 -3.083 3.707 -1.322 7688TIP3 H229374 -3.105 3.818 -1.421 7689TIP3 OH229375 -3.798 3.605 -1.620 7689TIP3 H129376 -3.785 3.691 -1.665 7689TIP3 H229377 -3.834 3.553 -1.694 7690TIP3 OH229378 -3.014 3.622 -1.788 7690TIP3 H129379 -2.955 3.580 -1.721 7690TIP3 H229380 -2.948 3.668 -1.843 7691TIP3 OH229381 -4.143 3.878 -1.570 7691TIP3 H129382 -4.083 3.843 -1.501 7691TIP3 H229383 -4.117 3.822 -1.645 7692TIP3 OH229384 -3.589 4.018 -1.622 7692TIP3 H129385 -3.522 3.959 -1.581 7692TIP3 H229386 -3.645 3.953 -1.668 7693TIP3 OH229387 -2.487 3.659 -1.065 7693TIP3 H129388 -2.543 3.732 -1.096 7693TIP3 H229389 -2.509 3.658 -0.971 7694TIP3 OH229390 -3.919 3.487 -1.202 7694TIP3 H129391 -3.962 3.534 -1.275 7694TIP3 H229392 -3.981 3.503 -1.129 7695TIP3 OH229393 -3.647 4.266 -1.224 7695TIP3 H129394 -3.727 4.319 -1.218 7695TIP3 H229395 -3.581 4.337 -1.233 7696TIP3 OH229396 -2.830 3.545 -1.583 7696TIP3 H129397 -2.873 3.490 -1.516 7696TIP3 H229398 -2.779 3.607 -1.528 7697TIP3 OH229399 -3.957 3.691 -1.410 7697TIP3 H129400 -3.894 3.749 -1.364 7697TIP3 H229401 -3.899 3.654 -1.480 7698TIP3 OH229402 -2.818 3.459 -1.200 7698TIP3 H129403 -2.895 3.501 -1.243 7698TIP3 H229404 -2.745 3.481 -1.261 7699TIP3 OH229405 -3.505 3.233 -1.494 7699TIP3 H129406 -3.529 3.138 -1.500 7699TIP3 H229407 -3.588 3.272 -1.457 7700TIP3 OH229408 -3.308 4.143 -2.020 7700TIP3 H129409 -3.372 4.179 -2.084 7700TIP3 H229410 -3.230 4.134 -2.078 7701TIP3 OH229411 -3.267 3.942 -2.302 7701TIP3 H129412 -3.194 3.979 -2.249 7701TIP3 H229413 -3.217 3.892 -2.369 7702TIP3 OH229414 -2.556 4.054 -1.196 7702TIP3 H129415 -2.620 4.127 -1.182 7702TIP3 H229416 -2.504 4.094 -1.269 7703TIP3 OH229417 -2.936 4.140 -1.919 7703TIP3 H129418 -3.001 4.162 -1.850 7703TIP3 H229419 -2.869 4.090 -1.869 7704TIP3 OH229420 -2.963 3.980 -1.026 7704TIP3 H129421 -2.959 4.057 -0.967 7704TIP3 H229422 -3.018 4.018 -1.098 7705TIP3 OH229423 -3.771 4.217 -1.730 7705TIP3 H129424 -3.800 4.181 -1.816 7705TIP3 H229425 -3.702 4.154 -1.704 7706TIP3 OH229426 -3.731 4.075 -1.390 7706TIP3 H129427 -3.668 4.077 -1.466 7706TIP3 H229428 -3.696 4.145 -1.331 7707TIP3 OH229429 -3.056 4.074 -2.155 7707TIP3 H129430 -2.998 4.101 -2.080 7707TIP3 H229431 -3.009 4.119 -2.230 7708TIP3 OH229432 -3.957 4.144 -0.989 7708TIP3 H129433 -3.949 4.202 -0.910 7708TIP3 H229434 -4.048 4.167 -1.015 7709TIP3 OH229435 -2.705 3.246 -2.213 7709TIP3 H129436 -2.792 3.257 -2.170 7709TIP3 H229437 -2.669 3.336 -2.209 7710TIP3 OH229438 -3.896 4.087 -1.975 7710TIP3 H129439 -3.912 4.164 -2.033 7710TIP3 H229440 -3.963 4.024 -2.007 7711TIP3 OH229441 -4.201 4.278 -1.110 7711TIP3 H129442 -4.258 4.314 -1.180 7711TIP3 H229443 -4.264 4.242 -1.045 7712TIP3 OH229444 -2.764 3.837 -0.792 7712TIP3 H129445 -2.815 3.876 -0.865 7712TIP3 H229446 -2.759 3.744 -0.821 7713TIP3 OH229447 -3.748 3.348 -1.404 7713TIP3 H129448 -3.831 3.339 -1.454 7713TIP3 H229449 -3.771 3.421 -1.345 7714TIP3 OH229450 -3.311 3.306 -1.039 7714TIP3 H129451 -3.259 3.254 -0.975 7714TIP3 H229452 -3.402 3.273 -1.026 7715TIP3 OH229453 -2.993 3.685 -0.986 7715TIP3 H129454 -3.055 3.671 -0.912 7715TIP3 H229455 -3.002 3.780 -1.004 7716TIP3 OH229456 -2.917 4.176 -2.361 7716TIP3 H129457 -2.921 4.158 -2.457 7716TIP3 H229458 -2.828 4.216 -2.354 7717TIP3 OH229459 -3.330 3.557 -2.312 7717TIP3 H129460 -3.380 3.544 -2.230 7717TIP3 H229461 -3.371 3.490 -2.369 7718TIP3 OH229462 -3.761 3.827 -1.261 7718TIP3 H129463 -3.823 3.839 -1.187 7718TIP3 H229464 -3.756 3.917 -1.299 7719TIP3 OH229465 -3.769 3.833 -1.775 7719TIP3 H129466 -3.865 3.830 -1.793 7719TIP3 H229467 -3.734 3.817 -1.865 7720TIP3 OH229468 -3.207 3.898 -1.895 7720TIP3 H129469 -3.252 3.975 -1.934 7720TIP3 H229470 -3.139 3.879 -1.962 7721TIP3 OH229471 -3.287 3.921 -0.753 7721TIP3 H129472 -3.337 3.843 -0.721 7721TIP3 H229473 -3.198 3.905 -0.716 7722TIP3 OH229474 -3.124 3.830 -1.620 7722TIP3 H129475 -3.150 3.885 -1.695 7722TIP3 H229476 -3.099 3.749 -1.668 7723TIP3 OH229477 -4.023 3.842 -1.080 7723TIP3 H129478 -4.000 3.884 -0.996 7723TIP3 H229479 -4.052 3.754 -1.051 7724TIP3 OH229480 -3.687 3.603 -2.419 7724TIP3 H129481 -3.724 3.565 -2.338 7724TIP3 H229482 -3.764 3.617 -2.474 7725TIP3 OH229483 -4.320 3.604 -1.714 7725TIP3 H129484 -4.304 3.580 -1.620 7725TIP3 H229485 -4.278 3.532 -1.760 7726TIP3 OH229486 -4.208 3.645 -2.131 7726TIP3 H129487 -4.148 3.674 -2.202 7726TIP3 H229488 -4.291 3.687 -2.157 7727TIP3 OH229489 -3.225 3.997 -1.177 7727TIP3 H129490 -3.170 3.930 -1.224 7727TIP3 H229491 -3.251 3.947 -1.098 7728TIP3 OH229492 -3.491 3.592 -1.671 7728TIP3 H129493 -3.585 3.591 -1.648 7728TIP3 H229494 -3.449 3.577 -1.585 7729TIP3 OH229495 -4.041 3.720 -1.809 7729TIP3 H129496 -4.115 3.735 -1.871 7729TIP3 H229497 -4.003 3.637 -1.843 7730TIP3 OH229498 -3.671 3.749 -2.037 7730TIP3 H129499 -3.574 3.758 -2.030 7730TIP3 H229500 -3.695 3.811 -2.108 7731TIP3 OH229501 -3.052 3.506 -1.370 7731TIP3 H129502 -3.115 3.508 -1.295 7731TIP3 H229503 -3.111 3.474 -1.440 7732TIP3 OH229504 -3.826 3.878 -2.259 7732TIP3 H129505 -3.882 3.844 -2.330 7732TIP3 H229506 -3.744 3.897 -2.307 7733TIP3 OH229507 -3.956 4.308 -0.775 7733TIP3 H129508 -3.891 4.357 -0.721 7733TIP3 H229509 -4.036 4.321 -0.721 7734TIP3 OH229510 -3.391 3.848 -1.490 7734TIP3 H129511 -3.314 3.808 -1.533 7734TIP3 H229512 -3.404 3.789 -1.413 7735TIP3 OH229513 -3.873 3.485 -1.864 7735TIP3 H129514 -3.917 3.399 -1.859 7735TIP3 H229515 -3.792 3.464 -1.912 7736TIP3 OH229516 -3.492 3.694 -1.265 7736TIP3 H129517 -3.569 3.753 -1.264 7736TIP3 H229518 -3.442 3.721 -1.185 7737TIP3 OH229519 -3.526 4.365 -2.046 7737TIP3 H129520 -3.558 4.301 -2.112 7737TIP3 H229521 -3.465 4.317 -1.990 7738TIP3 OH229522 -2.731 4.265 -1.207 7738TIP3 H129523 -2.704 4.311 -1.289 7738TIP3 H229524 -2.826 4.256 -1.227 7739TIP3 OH229525 -3.062 3.615 -2.297 7739TIP3 H129526 -3.160 3.615 -2.302 7739TIP3 H229527 -3.043 3.689 -2.236 7740TIP3 OH229528 -2.994 3.798 -2.090 7740TIP3 H129529 -2.906 3.781 -2.052 7740TIP3 H229530 -2.982 3.885 -2.132 7741TIP3 OH229531 -3.973 4.217 -1.543 7741TIP3 H129532 -3.885 4.232 -1.584 7741TIP3 H229533 -3.949 4.167 -1.464 7742TIP3 OH229534 -4.283 4.108 -0.919 7742TIP3 H129535 -4.237 4.047 -0.858 7742TIP3 H229536 -4.299 4.053 -0.999 7743TIP3 OH229537 -3.542 4.050 -0.765 7743TIP3 H129538 -3.577 4.027 -0.853 7743TIP3 H229539 -3.447 4.028 -0.777 7744TIP3 OH229540 -2.537 3.798 -2.118 7744TIP3 H129541 -2.591 3.779 -2.197 7744TIP3 H229542 -2.523 3.894 -2.132 7745TIP3 OH229543 -2.989 4.181 -1.340 7745TIP3 H129544 -3.080 4.182 -1.373 7745TIP3 H229545 -2.941 4.135 -1.410 7746TIP3 OH229546 -4.159 4.100 -2.297 7746TIP3 H129547 -4.083 4.146 -2.257 7746TIP3 H229548 -4.229 4.164 -2.277 7747TIP3 OH229549 -4.100 3.572 -1.001 7747TIP3 H129550 -4.185 3.608 -1.032 7747TIP3 H229551 -4.123 3.487 -0.961 7748TIP3 OH229552 -3.960 -4.393 -2.135 7748TIP3 H129553 -4.051 -4.358 -2.127 7748TIP3 H229554 -3.911 -4.312 -2.154 7749TIP3 OH229555 -3.209 3.548 -1.151 7749TIP3 H129556 -3.149 3.576 -1.080 7749TIP3 H229557 -3.259 3.475 -1.109 7750TIP3 OH229558 -3.146 3.493 -2.024 7750TIP3 H129559 -3.128 3.545 -2.103 7750TIP3 H229560 -3.100 3.544 -1.955 7751TIP3 OH229561 -3.404 3.692 -1.929 7751TIP3 H129562 -3.328 3.752 -1.915 7751TIP3 H229563 -3.434 3.675 -1.837 7752TIP3 OH229564 -3.365 3.790 -1.012 7752TIP3 H129565 -3.361 3.841 -0.929 7752TIP3 H229566 -3.316 3.711 -0.988 7753TIP3 OH229567 -3.346 3.393 -1.835 7753TIP3 H129568 -3.366 3.463 -1.770 7753TIP3 H229569 -3.273 3.435 -1.885 7754TIP3 OH229570 -3.774 3.494 -2.177 7754TIP3 H129571 -3.765 3.575 -2.123 7754TIP3 H229572 -3.692 3.447 -2.153 7755TIP3 OH229573 -2.741 3.583 -0.924 7755TIP3 H129574 -2.836 3.597 -0.940 7755TIP3 H229575 -2.714 3.564 -1.015 7756TIP3 OH229576 -2.887 3.967 -1.530 7756TIP3 H129577 -2.972 3.922 -1.548 7756TIP3 H229578 -2.840 3.899 -1.476 7757TIP3 OH229579 -4.113 3.799 -2.362 7757TIP3 H129580 -4.108 3.892 -2.337 7757TIP3 H229581 -4.198 3.789 -2.404 7758TIP3 OH229582 -4.024 3.294 -1.489 7758TIP3 H129583 -4.059 3.294 -1.580 7758TIP3 H229584 -4.069 3.216 -1.450 7759TIP3 OH229585 -4.199 4.349 -0.666 7759TIP3 H129586 -4.194 4.253 -0.660 7759TIP3 H229587 -4.294 4.361 -0.647 7760TIP3 OH229588 -3.586 4.329 -0.727 7760TIP3 H129589 -3.585 4.345 -0.823 7760TIP3 H229590 -3.551 4.237 -0.723 7761TIP3 OH229591 -2.985 -4.376 -0.952 7761TIP3 H129592 -2.905 -4.333 -0.986 7761TIP3 H229593 -3.052 -4.310 -0.971 7762TIP3 OH229594 -4.130 4.021 -0.700 7762TIP3 H129595 -4.050 3.966 -0.708 7762TIP3 H229596 -4.132 4.037 -0.604 7763TIP3 OH229597 -3.662 4.161 -2.200 7763TIP3 H129598 -3.727 4.120 -2.142 7763TIP3 H229599 -3.646 4.092 -2.267 7764TIP3 OH229600 -3.746 3.934 -0.966 7764TIP3 H129601 -3.806 4.009 -0.950 7764TIP3 H229602 -3.685 3.970 -1.032 7765TIP3 OH229603 -3.578 3.957 -2.373 7765TIP3 H129604 -3.580 3.972 -2.470 7765TIP3 H229605 -3.482 3.955 -2.356 7766TIP3 OH229606 -3.218 4.216 -0.612 7766TIP3 H129607 -3.131 4.196 -0.649 7766TIP3 H229608 -3.252 4.129 -0.589 7767TIP3 OH229609 -2.650 4.189 -2.450 7767TIP3 H129610 -2.657 4.183 -2.547 7767TIP3 H229611 -2.644 4.285 -2.434 7768TIP3 OH229612 -3.690 3.663 -0.856 7768TIP3 H129613 -3.684 3.598 -0.928 7768TIP3 H229614 -3.711 3.744 -0.905 7769TIP3 OH229615 -3.656 3.510 -1.112 7769TIP3 H129616 -3.605 3.563 -1.175 7769TIP3 H229617 -3.748 3.514 -1.147 7770TIP3 OH229618 -3.506 4.067 -1.080 7770TIP3 H129619 -3.422 4.056 -1.128 7770TIP3 H229620 -3.541 4.148 -1.121 7771TIP3 OH229621 -3.043 3.849 -0.593 7771TIP3 H129622 -3.022 3.755 -0.581 7771TIP3 H229623 -2.954 3.888 -0.599 7772TIP3 OH229624 -2.947 4.136 -0.758 7772TIP3 H129625 -2.971 4.208 -0.821 7772TIP3 H229626 -2.856 4.119 -0.786 7773TIP3 OH229627 -3.878 3.853 -0.677 7773TIP3 H129628 -3.931 3.771 -0.678 7773TIP3 H229629 -3.797 3.826 -0.722 7774TIP3 OH229630 -3.585 3.243 -1.076 7774TIP3 H129631 -3.602 3.338 -1.093 7774TIP3 H229632 -3.656 3.201 -1.129 7775TIP3 OH229633 -3.457 3.700 -0.698 7775TIP3 H129634 -3.493 3.681 -0.609 7775TIP3 H229635 -3.537 3.681 -0.752 7776TIP3 OH229636 -3.205 3.606 -0.811 7776TIP3 H129637 -3.293 3.612 -0.769 7776TIP3 H229638 -3.160 3.543 -0.752 7777TIP3 OH229639 -3.019 3.453 -0.637 7777TIP3 H129640 -3.036 3.358 -0.621 7777TIP3 H229641 -3.038 3.495 -0.551 7778TIP3 OH229642 -4.013 3.597 -0.694 7778TIP3 H129643 -4.017 3.525 -0.759 7778TIP3 H229644 -4.033 3.552 -0.611 7779TIP3 OH229645 -3.601 3.192 -0.795 7779TIP3 H129646 -3.542 3.115 -0.790 7779TIP3 H229647 -3.604 3.207 -0.891 7780TIP3 OH229648 -3.506 3.378 -0.608 7780TIP3 H129649 -3.537 3.319 -0.681 7780TIP3 H229650 -3.574 3.447 -0.607 7781TIP3 OH229651 -2.570 4.358 -2.014 7781TIP3 H129652 -2.474 4.365 -2.025 7781TIP3 H229653 -2.582 4.277 -1.962 7782TIP3 OH229654 -2.532 4.133 -1.847 7782TIP3 H129655 -2.608 4.089 -1.806 7782TIP3 H229656 -2.473 4.151 -1.772 7783TIP3 OH229657 -2.514 4.093 -2.194 7783TIP3 H129658 -2.576 4.117 -2.265 7783TIP3 H229659 -2.526 4.168 -2.134 7784TIP3 OH229660 -2.687 3.843 -2.361 7784TIP3 H129661 -2.666 3.907 -2.431 7784TIP3 H229662 -2.710 3.762 -2.411 7785TIP3 OH229663 -2.758 3.966 -1.773 7785TIP3 H129664 -2.759 3.869 -1.786 7785TIP3 H229665 -2.793 3.974 -1.681 7786TIP3 OH229666 -4.247 4.214 -1.388 7786TIP3 H129667 -4.231 4.179 -1.476 7786TIP3 H229668 -4.178 4.170 -1.334 7787TIP3 OH229669 -2.672 4.161 -0.849 7787TIP3 H129670 -2.599 4.101 -0.823 7787TIP3 H229671 -2.629 4.243 -0.876 7788TIP3 OH229672 -2.529 3.965 -0.734 7788TIP3 H129673 -2.610 3.912 -0.752 7788TIP3 H229674 -2.461 3.895 -0.730 7789TIP3 OH229675 -2.740 3.579 -2.442 7789TIP3 H129676 -2.681 3.530 -2.382 7789TIP3 H229677 -2.820 3.524 -2.447 7790TIP3 OH229678 -2.759 3.706 -1.946 7790TIP3 H129679 -2.733 3.611 -1.941 7790TIP3 H229680 -2.678 3.743 -1.987 7791TIP3 OH229681 -2.737 3.766 -1.403 7791TIP3 H129682 -2.640 3.780 -1.406 7791TIP3 H229683 -2.752 3.772 -1.308 7792TIP3 OH229684 -2.720 3.837 -1.121 7792TIP3 H129685 -2.806 3.876 -1.096 7792TIP3 H229686 -2.668 3.917 -1.145 7793TIP3 OH229687 -4.289 3.703 -0.770 7793TIP3 H129688 -4.200 3.665 -0.759 7793TIP3 H229689 -4.349 3.634 -0.740 7794TIP3 OH229690 -2.463 3.253 -0.592 7794TIP3 H129691 -2.423 3.184 -0.648 7794TIP3 H229692 -2.462 3.330 -0.651 7795TIP3 OH229693 -2.713 3.427 -1.949 7795TIP3 H129694 -2.701 3.396 -1.858 7795TIP3 H229695 -2.792 3.378 -1.977 7796TIP3 OH229696 -4.194 3.556 -1.451 7796TIP3 H129697 -4.159 3.466 -1.445 7796TIP3 H229698 -4.117 3.611 -1.425 7797TIP3 OH229699 -4.327 3.815 -1.357 7797TIP3 H129700 -4.292 3.766 -1.433 7797TIP3 H229701 -4.308 3.906 -1.381 7798TIP3 OH229702 -2.526 3.457 -0.767 7798TIP3 H129703 -2.614 3.500 -0.762 7798TIP3 H229704 -2.539 3.403 -0.847 7799TIP3 OH229705 -2.517 3.476 -2.284 7799TIP3 H129706 -2.483 3.395 -2.327 7799TIP3 H229707 -2.436 3.528 -2.272 7800TIP3 OH229708 -4.315 3.428 -2.009 7800TIP3 H129709 -4.400 3.459 -2.044 7800TIP3 H229710 -4.256 3.500 -2.042 7801TIP3 OH229711 -4.292 3.321 -1.175 7801TIP3 H129712 -4.358 3.316 -1.102 7801TIP3 H229713 -4.334 3.379 -1.241 7802TIP3 OH229714 -2.639 3.281 -0.969 7802TIP3 H129715 -2.719 3.303 -1.020 7802TIP3 H229716 -2.618 3.191 -1.003 7803TIP3 OH229717 -3.296 3.429 -1.522 7803TIP3 H129718 -3.366 3.363 -1.508 7803TIP3 H229719 -3.237 3.384 -1.584 7804TIP3 OH229720 -2.802 3.229 -1.477 7804TIP3 H129721 -2.727 3.276 -1.516 7804TIP3 H229722 -2.876 3.262 -1.530 7805TIP3 OH229723 -2.594 3.341 -1.692 7805TIP3 H129724 -2.521 3.303 -1.744 7805TIP3 H229725 -2.562 3.433 -1.680 7806TIP3 OH229726 -4.107 3.288 -1.770 7806TIP3 H129727 -4.180 3.259 -1.826 7806TIP3 H229728 -4.045 3.213 -1.780 7807TIP3 OH229729 -4.182 3.249 -2.189 7807TIP3 H129730 -4.131 3.316 -2.238 7807TIP3 H229731 -4.233 3.305 -2.128 7808TIP3 OH229732 -3.615 3.283 -1.779 7808TIP3 H129733 -3.524 3.314 -1.794 7808TIP3 H229734 -3.617 3.276 -1.683 7809TIP3 OH229735 -3.054 3.287 -1.638 7809TIP3 H129736 -3.030 3.273 -1.731 7809TIP3 H229737 -3.094 3.202 -1.615 7810TIP3 OH229738 -2.945 3.288 -2.039 7810TIP3 H129739 -3.026 3.339 -2.053 7810TIP3 H229740 -2.980 3.198 -2.029 7811TIP3 OH229741 -4.006 3.437 -2.335 7811TIP3 H129742 -3.948 3.379 -2.387 7811TIP3 H229743 -3.944 3.467 -2.265 7812TIP3 OH229744 -3.500 3.451 -2.074 7812TIP3 H129745 -3.464 3.394 -2.004 7812TIP3 H229746 -3.478 3.538 -2.037 7813TIP3 OH229747 -4.079 3.327 -0.818 7813TIP3 H129748 -4.125 3.252 -0.777 7813TIP3 H229749 -3.988 3.312 -0.787 7814TIP3 OH229750 -3.844 3.264 -0.641 7814TIP3 H129751 -3.762 3.228 -0.681 7814TIP3 H229752 -3.879 3.185 -0.596 7815TIP3 OH229753 -3.031 3.173 -0.625 7815TIP3 H129754 -3.027 3.133 -0.536 7815TIP3 H229755 -2.937 3.171 -0.650 7816TIP3 OH229756 -1.272 4.203 -1.762 7816TIP3 H129757 -1.304 4.294 -1.759 7816TIP3 H229758 -1.346 4.159 -1.806 7817TIP3 OH229759 -1.391 4.132 -1.432 7817TIP3 H129760 -1.389 4.080 -1.351 7817TIP3 H229761 -1.418 4.067 -1.498 7818TIP3 OH229762 -2.149 4.082 -1.271 7818TIP3 H129763 -2.150 4.007 -1.209 7818TIP3 H229764 -2.074 4.133 -1.237 7819TIP3 OH229765 -2.379 3.885 -1.878 7819TIP3 H129766 -2.421 3.972 -1.872 7819TIP3 H229767 -2.448 3.833 -1.921 7820TIP3 OH229768 -2.284 4.135 -1.693 7820TIP3 H129769 -2.285 4.055 -1.637 7820TIP3 H229770 -2.204 4.120 -1.744 7821TIP3 OH229771 -0.669 3.519 -1.311 7821TIP3 H129772 -0.652 3.586 -1.243 7821TIP3 H229773 -0.615 3.553 -1.384 7822TIP3 OH229774 -1.208 3.804 -1.326 7822TIP3 H129775 -1.197 3.708 -1.324 7822TIP3 H229776 -1.222 3.820 -1.421 7823TIP3 OH229777 -1.916 3.605 -1.618 7823TIP3 H129778 -1.898 3.689 -1.664 7823TIP3 H229779 -1.945 3.551 -1.694 7824TIP3 OH229780 -1.125 3.628 -1.781 7824TIP3 H129781 -1.066 3.581 -1.719 7824TIP3 H229782 -1.062 3.666 -1.843 7825TIP3 OH229783 -2.247 3.876 -1.568 7825TIP3 H129784 -2.182 3.831 -1.512 7825TIP3 H229785 -2.235 3.829 -1.653 7826TIP3 OH229786 -1.705 4.018 -1.619 7826TIP3 H129787 -1.636 3.960 -1.581 7826TIP3 H229788 -1.757 3.955 -1.671 7827TIP3 OH229789 -0.600 3.659 -1.064 7827TIP3 H129790 -0.658 3.732 -1.095 7827TIP3 H229791 -0.624 3.657 -0.970 7828TIP3 OH229792 -2.036 3.483 -1.201 7828TIP3 H129793 -2.074 3.533 -1.275 7828TIP3 H229794 -2.101 3.502 -1.131 7829TIP3 OH229795 -1.761 4.266 -1.225 7829TIP3 H129796 -1.842 4.320 -1.220 7829TIP3 H229797 -1.695 4.337 -1.233 7830TIP3 OH229798 -0.938 3.543 -1.583 7830TIP3 H129799 -0.988 3.488 -1.520 7830TIP3 H229800 -0.895 3.608 -1.524 7831TIP3 OH229801 -2.073 3.688 -1.408 7831TIP3 H129802 -2.009 3.746 -1.362 7831TIP3 H229803 -2.017 3.653 -1.481 7832TIP3 OH229804 -0.931 3.461 -1.198 7832TIP3 H129805 -1.009 3.500 -1.243 7832TIP3 H229806 -0.860 3.480 -1.263 7833TIP3 OH229807 -1.620 3.231 -1.491 7833TIP3 H129808 -1.646 3.137 -1.498 7833TIP3 H229809 -1.704 3.271 -1.458 7834TIP3 OH229810 -1.421 4.144 -2.018 7834TIP3 H129811 -1.487 4.176 -2.082 7834TIP3 H229812 -1.344 4.132 -2.076 7835TIP3 OH229813 -1.383 3.947 -2.305 7835TIP3 H129814 -1.309 3.979 -2.250 7835TIP3 H229815 -1.336 3.890 -2.367 7836TIP3 OH229816 -0.669 4.055 -1.196 7836TIP3 H129817 -0.735 4.126 -1.184 7836TIP3 H229818 -0.618 4.095 -1.270 7837TIP3 OH229819 -1.049 4.142 -1.919 7837TIP3 H129820 -1.117 4.162 -1.851 7837TIP3 H229821 -0.985 4.089 -1.867 7838TIP3 OH229822 -1.077 3.980 -1.026 7838TIP3 H129823 -1.075 4.058 -0.968 7838TIP3 H229824 -1.133 4.016 -1.098 7839TIP3 OH229825 -1.900 4.206 -1.725 7839TIP3 H129826 -1.920 4.179 -1.816 7839TIP3 H229827 -1.820 4.154 -1.706 7840TIP3 OH229828 -1.847 4.069 -1.384 7840TIP3 H129829 -1.788 4.072 -1.463 7840TIP3 H229830 -1.812 4.142 -1.330 7841TIP3 OH229831 -1.169 4.074 -2.155 7841TIP3 H129832 -1.112 4.101 -2.080 7841TIP3 H229833 -1.123 4.120 -2.230 7842TIP3 OH229834 -2.058 4.146 -0.998 7842TIP3 H129835 -2.047 4.211 -0.924 7842TIP3 H229836 -2.155 4.139 -1.000 7843TIP3 OH229837 -0.817 3.244 -2.209 7843TIP3 H129838 -0.908 3.253 -2.175 7843TIP3 H229839 -0.785 3.336 -2.205 7844TIP3 OH229840 -2.016 4.092 -1.970 7844TIP3 H129841 -2.027 4.167 -2.032 7844TIP3 H229842 -2.069 4.023 -2.011 7845TIP3 OH229843 -2.418 4.308 -1.096 7845TIP3 H129844 -2.412 4.293 -1.192 7845TIP3 H229845 -2.380 4.225 -1.060 7846TIP3 OH229846 -0.879 3.838 -0.793 7846TIP3 H129847 -0.930 3.876 -0.866 7846TIP3 H229848 -0.874 3.744 -0.820 7847TIP3 OH229849 -1.862 3.345 -1.398 7847TIP3 H129850 -1.939 3.342 -1.458 7847TIP3 H229851 -1.883 3.424 -1.347 7848TIP3 OH229852 -1.425 3.306 -1.038 7848TIP3 H129853 -1.372 3.254 -0.975 7848TIP3 H229854 -1.515 3.272 -1.026 7849TIP3 OH229855 -1.106 3.685 -0.985 7849TIP3 H129856 -1.170 3.671 -0.912 7849TIP3 H229857 -1.117 3.780 -1.004 7850TIP3 OH229858 -1.029 4.176 -2.361 7850TIP3 H129859 -1.037 4.159 -2.457 7850TIP3 H229860 -0.940 4.215 -2.355 7851TIP3 OH229861 -1.450 3.564 -2.309 7851TIP3 H129862 -1.497 3.556 -2.225 7851TIP3 H229863 -1.491 3.491 -2.359 7852TIP3 OH229864 -1.875 3.824 -1.259 7852TIP3 H129865 -1.937 3.839 -1.186 7852TIP3 H229866 -1.867 3.914 -1.298 7853TIP3 OH229867 -1.882 3.836 -1.773 7853TIP3 H129868 -1.976 3.825 -1.793 7853TIP3 H229869 -1.843 3.818 -1.862 7854TIP3 OH229870 -1.327 3.895 -1.894 7854TIP3 H129871 -1.376 3.968 -1.936 7854TIP3 H229872 -1.262 3.872 -1.962 7855TIP3 OH229873 -1.401 3.921 -0.752 7855TIP3 H129874 -1.452 3.843 -0.721 7855TIP3 H229875 -1.312 3.904 -0.716 7856TIP3 OH229876 -1.236 3.834 -1.622 7856TIP3 H129877 -1.268 3.885 -1.698 7856TIP3 H229878 -1.213 3.751 -1.669 7857TIP3 OH229879 -2.138 3.841 -1.083 7857TIP3 H129880 -2.115 3.879 -0.998 7857TIP3 H229881 -2.173 3.754 -1.057 7858TIP3 OH229882 -1.804 3.614 -2.422 7858TIP3 H129883 -1.834 3.573 -2.338 7858TIP3 H229884 -1.883 3.609 -2.477 7859TIP3 OH229885 -2.459 3.586 -1.714 7859TIP3 H129886 -2.397 3.590 -1.638 7859TIP3 H229887 -2.404 3.553 -1.786 7860TIP3 OH229888 -2.301 3.633 -2.142 7860TIP3 H129889 -2.243 3.679 -2.207 7860TIP3 H229890 -2.369 3.701 -2.127 7861TIP3 OH229891 -1.338 3.997 -1.175 7861TIP3 H129892 -1.285 3.931 -1.225 7861TIP3 H229893 -1.366 3.944 -1.098 7862TIP3 OH229894 -1.602 3.593 -1.670 7862TIP3 H129895 -1.697 3.585 -1.652 7862TIP3 H229896 -1.564 3.573 -1.583 7863TIP3 OH229897 -2.152 3.714 -1.801 7863TIP3 H129898 -2.228 3.742 -1.854 7863TIP3 H229899 -2.116 3.638 -1.851 7864TIP3 OH229900 -1.785 3.766 -2.027 7864TIP3 H129901 -1.690 3.742 -2.029 7864TIP3 H229902 -1.799 3.814 -2.110 7865TIP3 OH229903 -1.163 3.508 -1.368 7865TIP3 H129904 -1.229 3.510 -1.296 7865TIP3 H229905 -1.220 3.471 -1.439 7866TIP3 OH229906 -1.945 3.881 -2.259 7866TIP3 H129907 -1.996 3.840 -2.330 7866TIP3 H229908 -1.860 3.896 -2.304 7867TIP3 OH229909 -2.047 4.316 -0.792 7867TIP3 H129910 -1.990 4.365 -0.729 7867TIP3 H229911 -2.128 4.305 -0.737 7868TIP3 OH229912 -1.503 3.851 -1.486 7868TIP3 H129913 -1.436 3.806 -1.539 7868TIP3 H229914 -1.517 3.788 -1.413 7869TIP3 OH229915 -1.971 3.491 -1.876 7869TIP3 H129916 -2.017 3.408 -1.861 7869TIP3 H229917 -1.887 3.460 -1.915 7870TIP3 OH229918 -1.608 3.692 -1.263 7870TIP3 H129919 -1.684 3.753 -1.265 7870TIP3 H229920 -1.557 3.721 -1.185 7871TIP3 OH229921 -1.637 4.365 -2.050 7871TIP3 H129922 -1.674 4.300 -2.112 7871TIP3 H229923 -1.582 4.314 -1.989 7872TIP3 OH229924 -0.844 4.266 -1.208 7872TIP3 H129925 -0.821 4.312 -1.291 7872TIP3 H229926 -0.939 4.256 -1.224 7873TIP3 OH229927 -1.181 3.624 -2.306 7873TIP3 H129928 -1.279 3.613 -2.302 7873TIP3 H229929 -1.163 3.687 -2.234 7874TIP3 OH229930 -1.111 3.798 -2.089 7874TIP3 H129931 -1.023 3.781 -2.051 7874TIP3 H229932 -1.099 3.884 -2.132 7875TIP3 OH229933 -2.051 4.248 -1.505 7875TIP3 H129934 -1.991 4.240 -1.582 7875TIP3 H229935 -2.038 4.162 -1.462 7876TIP3 OH229936 -2.344 4.079 -0.970 7876TIP3 H129937 -2.336 4.042 -0.880 7876TIP3 H229938 -2.420 4.031 -1.007 7877TIP3 OH229939 -1.656 4.048 -0.765 7877TIP3 H129940 -1.690 4.028 -0.854 7877TIP3 H229941 -1.562 4.028 -0.776 7878TIP3 OH229942 -0.649 3.797 -2.119 7878TIP3 H129943 -0.705 3.779 -2.197 7878TIP3 H229944 -0.637 3.893 -2.132 7879TIP3 OH229945 -1.103 4.181 -1.340 7879TIP3 H129946 -1.195 4.182 -1.373 7879TIP3 H229947 -1.056 4.134 -1.411 7880TIP3 OH229948 -2.250 4.096 -2.315 7880TIP3 H129949 -2.188 4.153 -2.267 7880TIP3 H229950 -2.333 4.113 -2.268 7881TIP3 OH229951 -2.222 3.566 -1.001 7881TIP3 H129952 -2.312 3.590 -1.030 7881TIP3 H229953 -2.237 3.477 -0.964 7882TIP3 OH229954 -2.072 -4.387 -2.131 7882TIP3 H129955 -2.162 -4.352 -2.114 7882TIP3 H229956 -2.025 -4.305 -2.153 7883TIP3 OH229957 -1.324 3.550 -1.149 7883TIP3 H129958 -1.263 3.575 -1.078 7883TIP3 H229959 -1.374 3.476 -1.110 7884TIP3 OH229960 -1.237 3.485 -2.030 7884TIP3 H129961 -1.250 3.551 -2.099 7884TIP3 H229962 -1.229 3.540 -1.950 7885TIP3 OH229963 -1.521 3.691 -1.949 7885TIP3 H129964 -1.445 3.743 -1.921 7885TIP3 H229965 -1.552 3.652 -1.866 7886TIP3 OH229966 -1.481 3.791 -1.011 7886TIP3 H129967 -1.475 3.841 -0.928 7886TIP3 H229968 -1.431 3.711 -0.991 7887TIP3 OH229969 -1.405 3.395 -1.789 7887TIP3 H129970 -1.486 3.448 -1.780 7887TIP3 H229971 -1.396 3.394 -1.886 7888TIP3 OH229972 -1.886 3.502 -2.186 7888TIP3 H129973 -1.879 3.573 -2.120 7888TIP3 H229974 -1.813 3.443 -2.153 7889TIP3 OH229975 -0.855 3.583 -0.925 7889TIP3 H129976 -0.951 3.598 -0.939 7889TIP3 H229977 -0.831 3.562 -1.016 7890TIP3 OH229978 -1.001 3.967 -1.530 7890TIP3 H129979 -1.087 3.925 -1.551 7890TIP3 H229980 -0.957 3.898 -1.476 7891TIP3 OH229981 -2.236 3.799 -2.361 7891TIP3 H129982 -2.218 3.894 -2.344 7891TIP3 H229983 -2.320 3.802 -2.407 7892TIP3 OH229984 -2.143 3.305 -1.484 7892TIP3 H129985 -2.157 3.304 -1.581 7892TIP3 H229986 -2.176 3.218 -1.457 7893TIP3 OH229987 -2.292 4.306 -0.679 7893TIP3 H129988 -2.315 4.212 -0.678 7893TIP3 H229989 -2.372 4.351 -0.707 7894TIP3 OH229990 -1.702 4.328 -0.726 7894TIP3 H129991 -1.701 4.346 -0.823 7894TIP3 H229992 -1.666 4.238 -0.723 7895TIP3 OH229993 -1.099 -4.376 -0.952 7895TIP3 H129994 -1.020 -4.330 -0.986 7895TIP3 H229995 -1.168 -4.312 -0.972 7896TIP3 OH229996 -2.235 4.023 -0.707 7896TIP3 H129997 -2.156 3.966 -0.714 7896TIP3 H229998 -2.233 4.045 -0.612 7897TIP3 OH229999 -1.777 4.161 -2.199 7897TIP3 H130000 -1.840 4.117 -2.142 7897TIP3 H230001 -1.760 4.094 -2.267 7898TIP3 OH230002 -1.862 3.933 -0.966 7898TIP3 H130003 -1.918 4.011 -0.951 7898TIP3 H230004 -1.798 3.968 -1.032 7899TIP3 OH230005 -1.693 3.959 -2.372 7899TIP3 H130006 -1.695 3.970 -2.469 7899TIP3 H230007 -1.597 3.955 -2.355 7900TIP3 OH230008 -1.332 4.215 -0.610 7900TIP3 H130009 -1.246 4.197 -0.649 7900TIP3 H230010 -1.366 4.127 -0.591 7901TIP3 OH230011 -0.760 4.189 -2.451 7901TIP3 H130012 -0.774 4.184 -2.547 7901TIP3 H230013 -0.761 4.286 -2.432 7902TIP3 OH230014 -1.805 3.663 -0.856 7902TIP3 H130015 -1.798 3.598 -0.929 7902TIP3 H230016 -1.824 3.745 -0.905 7903TIP3 OH230017 -1.771 3.510 -1.112 7903TIP3 H130018 -1.718 3.563 -1.174 7903TIP3 H230019 -1.861 3.515 -1.148 7904TIP3 OH230020 -1.621 4.067 -1.079 7904TIP3 H130021 -1.537 4.055 -1.127 7904TIP3 H230022 -1.656 4.148 -1.120 7905TIP3 OH230023 -1.157 3.849 -0.593 7905TIP3 H130024 -1.136 3.755 -0.581 7905TIP3 H230025 -1.069 3.888 -0.598 7906TIP3 OH230026 -1.063 4.137 -0.757 7906TIP3 H130027 -1.086 4.209 -0.821 7906TIP3 H230028 -0.972 4.116 -0.787 7907TIP3 OH230029 -1.989 3.850 -0.675 7907TIP3 H130030 -2.039 3.766 -0.678 7907TIP3 H230031 -1.907 3.826 -0.721 7908TIP3 OH230032 -1.701 3.243 -1.074 7908TIP3 H130033 -1.715 3.339 -1.092 7908TIP3 H230034 -1.769 3.203 -1.131 7909TIP3 OH230035 -1.571 3.700 -0.698 7909TIP3 H130036 -1.607 3.680 -0.609 7909TIP3 H230037 -1.651 3.682 -0.752 7910TIP3 OH230038 -1.319 3.606 -0.810 7910TIP3 H130039 -1.407 3.612 -0.769 7910TIP3 H230040 -1.274 3.543 -0.752 7911TIP3 OH230041 -1.133 3.453 -0.637 7911TIP3 H130042 -1.152 3.358 -0.621 7911TIP3 H230043 -1.153 3.494 -0.551 7912TIP3 OH230044 -2.116 3.594 -0.692 7912TIP3 H130045 -2.125 3.526 -0.760 7912TIP3 H230046 -2.141 3.545 -0.611 7913TIP3 OH230047 -1.717 3.191 -0.794 7913TIP3 H130048 -1.654 3.117 -0.789 7913TIP3 H230049 -1.719 3.208 -0.890 7914TIP3 OH230050 -1.623 3.377 -0.606 7914TIP3 H130051 -1.653 3.319 -0.679 7914TIP3 H230052 -1.690 3.447 -0.606 7915TIP3 OH230053 -0.682 4.361 -2.012 7915TIP3 H130054 -0.586 4.360 -2.025 7915TIP3 H230055 -0.699 4.279 -1.964 7916TIP3 OH230056 -0.645 4.132 -1.848 7916TIP3 H130057 -0.723 4.088 -1.808 7916TIP3 H230058 -0.590 4.152 -1.770 7917TIP3 OH230059 -0.626 4.094 -2.195 7917TIP3 H130060 -0.690 4.116 -2.266 7917TIP3 H230061 -0.642 4.167 -2.134 7918TIP3 OH230062 -0.798 3.842 -2.361 7918TIP3 H130063 -0.781 3.906 -2.432 7918TIP3 H230064 -0.824 3.762 -2.411 7919TIP3 OH230065 -0.870 3.965 -1.772 7919TIP3 H130066 -0.875 3.870 -1.787 7919TIP3 H230067 -0.908 3.973 -1.681 7920TIP3 OH230068 -2.385 4.187 -1.374 7920TIP3 H130069 -2.375 4.203 -1.469 7920TIP3 H230070 -2.294 4.160 -1.349 7921TIP3 OH230071 -0.784 4.159 -0.856 7921TIP3 H130072 -0.712 4.101 -0.823 7921TIP3 H230073 -0.742 4.245 -0.874 7922TIP3 OH230074 -0.644 3.966 -0.732 7922TIP3 H130075 -0.725 3.913 -0.752 7922TIP3 H230076 -0.576 3.897 -0.730 7923TIP3 OH230077 -0.854 3.577 -2.444 7923TIP3 H130078 -0.800 3.528 -2.379 7923TIP3 H230079 -0.937 3.527 -2.449 7924TIP3 OH230080 -0.872 3.706 -1.946 7924TIP3 H130081 -0.849 3.611 -1.942 7924TIP3 H230082 -0.792 3.742 -1.988 7925TIP3 OH230083 -0.850 3.764 -1.403 7925TIP3 H130084 -0.754 3.780 -1.405 7925TIP3 H230085 -0.868 3.772 -1.307 7926TIP3 OH230086 -0.833 3.837 -1.121 7926TIP3 H130087 -0.920 3.874 -1.096 7926TIP3 H230088 -0.783 3.918 -1.144 7927TIP3 OH230089 -2.387 3.716 -0.752 7927TIP3 H130090 -2.293 3.690 -0.752 7927TIP3 H230091 -2.430 3.629 -0.746 7928TIP3 OH230092 -0.578 3.254 -0.593 7928TIP3 H130093 -0.537 3.184 -0.647 7928TIP3 H230094 -0.575 3.331 -0.652 7929TIP3 OH230095 -0.824 3.426 -1.949 7929TIP3 H130096 -0.823 3.396 -1.857 7929TIP3 H230097 -0.904 3.379 -1.982 7930TIP3 OH230098 -2.309 3.547 -1.472 7930TIP3 H130099 -2.261 3.462 -1.467 7930TIP3 H230100 -2.240 3.608 -1.440 7931TIP3 OH230101 -2.454 3.815 -1.367 7931TIP3 H130102 -2.394 3.812 -1.444 7931TIP3 H230103 -2.422 3.894 -1.322 7932TIP3 OH230104 -0.640 3.458 -0.769 7932TIP3 H130105 -0.727 3.500 -0.762 7932TIP3 H230106 -0.655 3.403 -0.848 7933TIP3 OH230107 -0.630 3.474 -2.280 7933TIP3 H130108 -0.600 3.396 -2.328 7933TIP3 H230109 -0.549 3.529 -2.276 7934TIP3 OH230110 -2.404 3.443 -1.967 7934TIP3 H130111 -2.499 3.454 -1.985 7934TIP3 H230112 -2.362 3.508 -2.028 7935TIP3 OH230113 -2.400 3.336 -1.149 7935TIP3 H130114 -2.472 3.312 -1.089 7935TIP3 H230115 -2.448 3.390 -1.214 7936TIP3 OH230116 -0.752 3.281 -0.970 7936TIP3 H130117 -0.833 3.303 -1.020 7936TIP3 H230118 -0.733 3.191 -1.003 7937TIP3 OH230119 -1.408 3.424 -1.505 7937TIP3 H130120 -1.482 3.361 -1.501 7937TIP3 H230121 -1.374 3.407 -1.594 7938TIP3 OH230122 -0.914 3.230 -1.477 7938TIP3 H130123 -0.842 3.279 -1.521 7938TIP3 H230124 -0.992 3.256 -1.530 7939TIP3 OH230125 -0.703 3.341 -1.683 7939TIP3 H130126 -0.636 3.304 -1.743 7939TIP3 H230127 -0.679 3.435 -1.679 7940TIP3 OH230128 -2.181 3.299 -1.760 7940TIP3 H130129 -2.262 3.287 -1.812 7940TIP3 H230130 -2.130 3.220 -1.784 7941TIP3 OH230131 -2.294 3.251 -2.181 7941TIP3 H130132 -2.240 3.316 -2.229 7941TIP3 H230133 -2.334 3.306 -2.111 7942TIP3 OH230134 -1.750 3.280 -1.753 7942TIP3 H130135 -1.689 3.310 -1.824 7942TIP3 H230136 -1.694 3.272 -1.676 7943TIP3 OH230137 -1.146 3.279 -1.630 7943TIP3 H130138 -1.159 3.293 -1.724 7943TIP3 H230139 -1.211 3.209 -1.612 7944TIP3 OH230140 -1.051 3.286 -2.041 7944TIP3 H130141 -1.129 3.347 -2.047 7944TIP3 H230142 -1.096 3.201 -2.030 7945TIP3 OH230143 -2.118 3.431 -2.331 7945TIP3 H130144 -2.057 3.379 -2.386 7945TIP3 H230145 -2.056 3.467 -2.264 7946TIP3 OH230146 -2.197 3.322 -0.817 7946TIP3 H130147 -2.235 3.242 -0.779 7946TIP3 H230148 -2.104 3.314 -0.789 7947TIP3 OH230149 -1.959 3.264 -0.641 7947TIP3 H130150 -1.876 3.231 -0.682 7947TIP3 H230151 -1.991 3.183 -0.599 7948TIP3 OH230152 -1.144 3.170 -0.627 7948TIP3 H130153 -1.143 3.135 -0.537 7948TIP3 H230154 -1.049 3.173 -0.650 7949TIP3 OH230155 0.611 4.200 -1.765 7949TIP3 H130156 0.584 4.291 -1.748 7949TIP3 H230157 0.537 4.169 -1.819 7950TIP3 OH230158 0.500 4.130 -1.434 7950TIP3 H130159 0.497 4.083 -1.348 7950TIP3 H230160 0.463 4.065 -1.495 7951TIP3 OH230161 -0.260 4.081 -1.273 7951TIP3 H130162 -0.264 4.008 -1.209 7951TIP3 H230163 -0.191 4.135 -1.234 7952TIP3 OH230164 -0.491 3.886 -1.880 7952TIP3 H130165 -0.536 3.972 -1.871 7952TIP3 H230166 -0.561 3.832 -1.916 7953TIP3 OH230167 -0.397 4.137 -1.691 7953TIP3 H130168 -0.399 4.056 -1.636 7953TIP3 H230169 -0.318 4.119 -1.744 7954TIP3 OH230170 1.212 3.523 -1.316 7954TIP3 H130171 1.234 3.582 -1.242 7954TIP3 H230172 1.276 3.554 -1.383 7955TIP3 OH230173 0.680 3.805 -1.330 7955TIP3 H130174 0.692 3.709 -1.322 7955TIP3 H230175 0.662 3.814 -1.425 7956TIP3 OH230176 -0.026 3.605 -1.620 7956TIP3 H130177 -0.015 3.691 -1.665 7956TIP3 H230178 -0.062 3.553 -1.694 7957TIP3 OH230179 -0.361 3.879 -1.568 7957TIP3 H130180 -0.298 3.832 -1.511 7957TIP3 H230181 -0.352 3.829 -1.652 7958TIP3 OH230182 0.185 4.017 -1.622 7958TIP3 H130183 0.250 3.957 -1.581 7958TIP3 H230184 0.127 3.955 -1.668 7959TIP3 OH230185 1.284 3.659 -1.066 7959TIP3 H130186 1.225 3.732 -1.094 7959TIP3 H230187 1.264 3.657 -0.971 7960TIP3 OH230188 -0.149 3.483 -1.204 7960TIP3 H130189 -0.187 3.538 -1.274 7960TIP3 H230190 -0.214 3.498 -1.132 7961TIP3 OH230191 0.124 4.266 -1.228 7961TIP3 H130192 0.043 4.319 -1.217 7961TIP3 H230193 0.189 4.338 -1.229 7962TIP3 OH230194 0.925 3.570 -1.615 7962TIP3 H130195 0.888 3.497 -1.564 7962TIP3 H230196 0.975 3.616 -1.546 7963TIP3 OH230197 -0.187 3.687 -1.408 7963TIP3 H130198 -0.125 3.746 -1.361 7963TIP3 H230199 -0.129 3.654 -1.480 7964TIP3 OH230200 0.953 3.462 -1.200 7964TIP3 H130201 0.876 3.501 -1.245 7964TIP3 H230202 1.025 3.480 -1.264 7965TIP3 OH230203 0.248 3.214 -1.508 7965TIP3 H130204 0.252 3.124 -1.473 7965TIP3 H230205 0.174 3.255 -1.458 7966TIP3 OH230206 0.480 4.134 -2.024 7966TIP3 H130207 0.414 4.197 -2.059 7966TIP3 H230208 0.542 4.131 -2.098 7967TIP3 OH230209 0.506 3.942 -2.299 7967TIP3 H130210 0.585 3.969 -2.248 7967TIP3 H230211 0.548 3.899 -2.375 7968TIP3 OH230212 1.216 4.054 -1.197 7968TIP3 H130213 1.151 4.126 -1.182 7968TIP3 H230214 1.268 4.095 -1.269 7969TIP3 OH230215 0.828 4.137 -1.924 7969TIP3 H130216 0.764 4.168 -1.856 7969TIP3 H230217 0.895 4.094 -1.870 7970TIP3 OH230218 0.808 3.980 -1.026 7970TIP3 H130219 0.812 4.056 -0.965 7970TIP3 H230220 0.754 4.021 -1.097 7971TIP3 OH230221 -0.020 4.199 -1.723 7971TIP3 H130222 -0.034 4.178 -1.817 7971TIP3 H230223 0.066 4.157 -1.707 7972TIP3 OH230224 0.044 4.066 -1.386 7972TIP3 H130225 0.100 4.077 -1.465 7972TIP3 H230226 0.072 4.141 -1.330 7973TIP3 OH230227 0.738 4.013 -2.148 7973TIP3 H130228 0.780 4.063 -2.074 7973TIP3 H230229 0.778 4.063 -2.223 7974TIP3 OH230230 -0.174 4.147 -0.999 7974TIP3 H130231 -0.161 4.210 -0.925 7974TIP3 H230232 -0.271 4.141 -1.001 7975TIP3 OH230233 1.067 3.247 -2.210 7975TIP3 H130234 0.980 3.259 -2.168 7975TIP3 H230235 1.103 3.338 -2.214 7976TIP3 OH230236 -0.124 4.088 -1.976 7976TIP3 H130237 -0.141 4.167 -2.031 7976TIP3 H230238 -0.188 4.024 -2.009 7977TIP3 OH230239 -0.517 4.310 -1.097 7977TIP3 H130240 -0.529 4.290 -1.191 7977TIP3 H230241 -0.494 4.222 -1.060 7978TIP3 OH230242 1.007 3.837 -0.792 7978TIP3 H130243 0.957 3.876 -0.865 7978TIP3 H230244 1.013 3.744 -0.820 7979TIP3 OH230245 0.023 3.346 -1.400 7979TIP3 H130246 -0.057 3.346 -1.455 7979TIP3 H230247 0.006 3.424 -1.345 7980TIP3 OH230248 0.461 3.303 -1.041 7980TIP3 H130249 0.514 3.255 -0.975 7980TIP3 H230250 0.371 3.272 -1.025 7981TIP3 OH230251 0.775 3.685 -0.989 7981TIP3 H130252 0.717 3.670 -0.913 7981TIP3 H230253 0.769 3.782 -1.003 7982TIP3 OH230254 0.850 4.162 -2.347 7982TIP3 H130255 0.840 4.157 -2.444 7982TIP3 H230256 0.934 4.211 -2.340 7983TIP3 OH230257 0.467 3.549 -2.311 7983TIP3 H130258 0.405 3.551 -2.237 7983TIP3 H230259 0.417 3.493 -2.373 7984TIP3 OH230260 0.010 3.823 -1.259 7984TIP3 H130261 -0.050 3.838 -1.184 7984TIP3 H230262 0.019 3.914 -1.297 7985TIP3 OH230263 0.004 3.833 -1.775 7985TIP3 H130264 -0.092 3.828 -1.790 7985TIP3 H230265 0.037 3.817 -1.865 7986TIP3 OH230266 0.605 3.877 -1.926 7986TIP3 H130267 0.544 3.953 -1.926 7986TIP3 H230268 0.651 3.898 -2.009 7987TIP3 OH230269 0.484 3.920 -0.755 7987TIP3 H130270 0.434 3.843 -0.721 7987TIP3 H230271 0.573 3.905 -0.716 7988TIP3 OH230272 0.656 3.808 -1.632 7988TIP3 H130273 0.631 3.867 -1.705 7988TIP3 H230274 0.662 3.723 -1.676 7989TIP3 OH230275 -0.250 3.839 -1.084 7989TIP3 H130276 -0.233 3.881 -0.998 7989TIP3 H230277 -0.288 3.754 -1.057 7990TIP3 OH230278 0.088 3.600 -2.420 7990TIP3 H130279 0.047 3.565 -2.339 7990TIP3 H230280 0.010 3.620 -2.474 7991TIP3 OH230281 -0.571 3.596 -1.716 7991TIP3 H130282 -0.511 3.588 -1.639 7991TIP3 H230283 -0.523 3.552 -1.788 7992TIP3 OH230284 -0.410 3.635 -2.143 7992TIP3 H130285 -0.359 3.683 -2.210 7992TIP3 H230286 -0.482 3.698 -2.126 7993TIP3 OH230287 0.543 3.996 -1.178 7993TIP3 H130288 0.602 3.932 -1.224 7993TIP3 H230289 0.521 3.947 -1.097 7994TIP3 OH230290 0.283 3.594 -1.669 7994TIP3 H130291 0.187 3.593 -1.652 7994TIP3 H230292 0.318 3.574 -1.581 7995TIP3 OH230293 -0.263 3.717 -1.804 7995TIP3 H130294 -0.345 3.745 -1.850 7995TIP3 H230295 -0.236 3.638 -1.853 7996TIP3 OH230296 0.100 3.747 -2.039 7996TIP3 H130297 0.196 3.761 -2.032 7996TIP3 H230298 0.073 3.809 -2.110 7997TIP3 OH230299 0.715 3.508 -1.371 7997TIP3 H130300 0.656 3.509 -1.293 7997TIP3 H230301 0.655 3.471 -1.437 7998TIP3 OH230302 -0.053 3.875 -2.257 7998TIP3 H130303 -0.111 3.847 -2.330 7998TIP3 H230304 0.028 3.897 -2.307 7999TIP3 OH230305 -0.160 4.316 -0.793 7999TIP3 H130306 -0.105 4.365 -0.729 7999TIP3 H230307 -0.242 4.304 -0.739 8000TIP3 OH230308 0.392 3.847 -1.493 8000TIP3 H130309 0.461 3.794 -1.534 8000TIP3 H230310 0.371 3.794 -1.413 8001TIP3 OH230311 -0.096 3.483 -1.867 8001TIP3 H130312 -0.145 3.400 -1.854 8001TIP3 H230313 -0.017 3.452 -1.914 8002TIP3 OH230314 0.282 3.699 -1.270 8002TIP3 H130315 0.202 3.755 -1.264 8002TIP3 H230316 0.331 3.722 -1.189 8003TIP3 OH230317 0.290 4.334 -2.067 8003TIP3 H130318 0.216 4.291 -2.114 8003TIP3 H230319 0.267 4.325 -1.974 8004TIP3 OH230320 1.041 4.265 -1.207 8004TIP3 H130321 1.067 4.312 -1.288 8004TIP3 H230322 0.946 4.256 -1.225 8005TIP3 OH230323 0.711 3.656 -2.215 8005TIP3 H130324 0.629 3.637 -2.266 8005TIP3 H230325 0.730 3.747 -2.244 8006TIP3 OH230326 -0.164 4.251 -1.502 8006TIP3 H130327 -0.106 4.239 -1.581 8006TIP3 H230328 -0.157 4.163 -1.461 8007TIP3 OH230329 -0.461 4.077 -0.971 8007TIP3 H130330 -0.452 4.043 -0.880 8007TIP3 H230331 -0.538 4.030 -1.006 8008TIP3 OH230332 0.229 4.048 -0.765 8008TIP3 H130333 0.195 4.027 -0.854 8008TIP3 H230334 0.324 4.028 -0.776 8009TIP3 OH230335 1.233 3.793 -2.111 8009TIP3 H130336 1.176 3.771 -2.187 8009TIP3 H230337 1.240 3.889 -2.126 8010TIP3 OH230338 0.782 4.173 -1.339 8010TIP3 H130339 0.692 4.180 -1.374 8010TIP3 H230340 0.832 4.140 -1.415 8011TIP3 OH230341 -0.363 4.094 -2.313 8011TIP3 H130342 -0.305 4.155 -2.266 8011TIP3 H230343 -0.449 4.110 -2.269 8012TIP3 OH230344 -0.336 3.563 -1.005 8012TIP3 H130345 -0.427 3.590 -1.029 8012TIP3 H230346 -0.351 3.477 -0.961 8013TIP3 OH230347 -0.185 -4.387 -2.128 8013TIP3 H130348 -0.276 -4.353 -2.115 8013TIP3 H230349 -0.140 -4.305 -2.154 8014TIP3 OH230350 0.561 3.547 -1.151 8014TIP3 H130351 0.621 3.579 -1.081 8014TIP3 H230352 0.513 3.475 -1.107 8015TIP3 OH230353 0.628 3.525 -1.985 8015TIP3 H130354 0.643 3.564 -2.074 8015TIP3 H230355 0.716 3.519 -1.949 8016TIP3 OH230356 0.363 3.698 -1.929 8016TIP3 H130357 0.447 3.746 -1.921 8016TIP3 H230358 0.337 3.682 -1.837 8017TIP3 OH230359 0.406 3.789 -1.012 8017TIP3 H130360 0.408 3.841 -0.929 8017TIP3 H230361 0.456 3.710 -0.986 8018TIP3 OH230362 0.424 3.393 -1.834 8018TIP3 H130363 0.395 3.460 -1.770 8018TIP3 H230364 0.495 3.441 -1.881 8019TIP3 OH230365 -0.003 3.493 -2.180 8019TIP3 H130366 0.000 3.572 -2.124 8019TIP3 H230367 0.080 3.448 -2.155 8020TIP3 OH230368 1.030 3.585 -0.925 8020TIP3 H130369 0.934 3.596 -0.940 8020TIP3 H230370 1.056 3.562 -1.015 8021TIP3 OH230371 0.891 3.963 -1.551 8021TIP3 H130372 0.803 3.921 -1.553 8021TIP3 H230373 0.937 3.907 -1.486 8022TIP3 OH230374 -0.350 3.800 -2.361 8022TIP3 H130375 -0.336 3.895 -2.344 8022TIP3 H230376 -0.433 3.800 -2.409 8023TIP3 OH230377 -0.254 3.299 -1.490 8023TIP3 H130378 -0.271 3.296 -1.586 8023TIP3 H230379 -0.292 3.215 -1.459 8024TIP3 OH230380 -0.404 4.307 -0.680 8024TIP3 H130381 -0.430 4.213 -0.675 8024TIP3 H230382 -0.485 4.353 -0.703 8025TIP3 OH230383 0.183 4.329 -0.726 8025TIP3 H130384 0.185 4.346 -0.823 8025TIP3 H230385 0.220 4.239 -0.721 8026TIP3 OH230386 0.787 -4.377 -0.953 8026TIP3 H130387 0.866 -4.330 -0.985 8026TIP3 H230388 0.718 -4.312 -0.972 8027TIP3 OH230389 -0.349 4.023 -0.708 8027TIP3 H130390 -0.271 3.966 -0.714 8027TIP3 H230391 -0.347 4.046 -0.613 8028TIP3 OH230392 0.108 4.160 -2.190 8028TIP3 H130393 0.039 4.114 -2.140 8028TIP3 H230394 0.126 4.099 -2.263 8029TIP3 OH230395 0.025 3.932 -0.968 8029TIP3 H130396 -0.033 4.008 -0.950 8029TIP3 H230397 0.088 3.971 -1.032 8030TIP3 OH230398 0.192 3.956 -2.374 8030TIP3 H130399 0.190 3.971 -2.470 8030TIP3 H230400 0.288 3.962 -2.356 8031TIP3 OH230401 0.552 4.215 -0.617 8031TIP3 H130402 0.641 4.196 -0.648 8031TIP3 H230403 0.520 4.130 -0.587 8032TIP3 OH230404 1.113 4.188 -2.451 8032TIP3 H130405 1.115 4.183 -2.547 8032TIP3 H230406 1.120 4.284 -2.432 8033TIP3 OH230407 0.081 3.664 -0.856 8033TIP3 H130408 0.088 3.598 -0.928 8033TIP3 H230409 0.060 3.745 -0.905 8034TIP3 OH230410 0.115 3.509 -1.115 8034TIP3 H130411 0.165 3.566 -1.176 8034TIP3 H230412 0.023 3.517 -1.147 8035TIP3 OH230413 0.264 4.065 -1.081 8035TIP3 H130414 0.349 4.056 -1.127 8035TIP3 H230415 0.230 4.148 -1.119 8036TIP3 OH230416 0.728 3.849 -0.593 8036TIP3 H130417 0.750 3.755 -0.580 8036TIP3 H230418 0.817 3.888 -0.598 8037TIP3 OH230419 0.824 4.136 -0.759 8037TIP3 H130420 0.800 4.208 -0.821 8037TIP3 H230421 0.915 4.119 -0.787 8038TIP3 OH230422 -0.104 3.851 -0.677 8038TIP3 H130423 -0.154 3.767 -0.678 8038TIP3 H230424 -0.021 3.825 -0.720 8039TIP3 OH230425 0.186 3.244 -1.077 8039TIP3 H130426 0.170 3.339 -1.093 8039TIP3 H230427 0.115 3.203 -1.128 8040TIP3 OH230428 0.314 3.700 -0.698 8040TIP3 H130429 0.280 3.681 -0.609 8040TIP3 H230430 0.234 3.681 -0.751 8041TIP3 OH230431 0.565 3.605 -0.812 8041TIP3 H130432 0.478 3.612 -0.768 8041TIP3 H230433 0.612 3.543 -0.752 8042TIP3 OH230434 0.751 3.454 -0.638 8042TIP3 H130435 0.736 3.359 -0.623 8042TIP3 H230436 0.733 3.494 -0.551 8043TIP3 OH230437 -0.232 3.594 -0.693 8043TIP3 H130438 -0.240 3.524 -0.759 8043TIP3 H230439 -0.254 3.546 -0.611 8044TIP3 OH230440 0.170 3.191 -0.794 8044TIP3 H130441 0.230 3.115 -0.788 8044TIP3 H230442 0.170 3.207 -0.890 8045TIP3 OH230443 0.265 3.379 -0.609 8045TIP3 H130444 0.233 3.319 -0.680 8045TIP3 H230445 0.196 3.447 -0.606 8046TIP3 OH230446 1.204 4.360 -2.004 8046TIP3 H130447 1.298 4.360 -2.028 8046TIP3 H230448 1.188 4.273 -1.965 8047TIP3 OH230449 1.232 4.124 -1.843 8047TIP3 H130450 1.166 4.076 -1.791 8047TIP3 H230451 1.296 4.152 -1.775 8048TIP3 OH230452 1.257 4.094 -2.193 8048TIP3 H130453 1.193 4.113 -2.264 8048TIP3 H230454 1.246 4.172 -2.137 8049TIP3 OH230455 1.088 3.842 -2.362 8049TIP3 H130456 1.105 3.907 -2.431 8049TIP3 H230457 1.063 3.763 -2.414 8050TIP3 OH230458 0.995 3.879 -1.790 8050TIP3 H130459 1.048 3.825 -1.730 8050TIP3 H230460 0.966 3.948 -1.727 8051TIP3 OH230461 -0.500 4.186 -1.375 8051TIP3 H130462 -0.490 4.203 -1.470 8051TIP3 H230463 -0.409 4.162 -1.349 8052TIP3 OH230464 1.100 4.160 -0.852 8052TIP3 H130465 1.173 4.101 -0.823 8052TIP3 H230466 1.143 4.244 -0.876 8053TIP3 OH230467 1.242 3.965 -0.734 8053TIP3 H130468 1.161 3.912 -0.751 8053TIP3 H230469 1.311 3.896 -0.730 8054TIP3 OH230470 1.028 3.578 -2.442 8054TIP3 H130471 1.087 3.526 -2.386 8054TIP3 H230472 0.949 3.522 -2.453 8055TIP3 OH230473 1.035 3.766 -1.411 8055TIP3 H130474 1.133 3.777 -1.405 8055TIP3 H230475 1.014 3.768 -1.316 8056TIP3 OH230476 1.051 3.837 -1.123 8056TIP3 H130477 0.965 3.875 -1.097 8056TIP3 H230478 1.102 3.917 -1.146 8057TIP3 OH230479 -0.501 3.716 -0.754 8057TIP3 H130480 -0.407 3.690 -0.750 8057TIP3 H230481 -0.545 3.630 -0.746 8058TIP3 OH230482 1.307 3.253 -0.592 8058TIP3 H130483 1.349 3.183 -0.646 8058TIP3 H230484 1.310 3.330 -0.652 8059TIP3 OH230485 1.017 3.493 -1.931 8059TIP3 H130486 1.065 3.450 -1.857 8059TIP3 H230487 0.981 3.415 -1.977 8060TIP3 OH230488 -0.421 3.547 -1.477 8060TIP3 H130489 -0.376 3.462 -1.464 8060TIP3 H230490 -0.356 3.609 -1.439 8061TIP3 OH230491 -0.566 3.813 -1.366 8061TIP3 H130492 -0.511 3.814 -1.446 8061TIP3 H230493 -0.537 3.894 -1.321 8062TIP3 OH230494 1.246 3.458 -0.768 8062TIP3 H130495 1.158 3.500 -0.762 8062TIP3 H230496 1.233 3.402 -0.847 8063TIP3 OH230497 1.253 3.473 -2.282 8063TIP3 H130498 1.286 3.395 -2.329 8063TIP3 H230499 1.333 3.527 -2.274 8064TIP3 OH230500 -0.518 3.451 -1.961 8064TIP3 H130501 -0.613 3.452 -1.982 8064TIP3 H230502 -0.479 3.509 -2.028 8065TIP3 OH230503 -0.517 3.331 -1.155 8065TIP3 H130504 -0.585 3.312 -1.088 8065TIP3 H230505 -0.565 3.391 -1.214 8066TIP3 OH230506 1.133 3.280 -0.970 8066TIP3 H130507 1.051 3.299 -1.020 8066TIP3 H230508 1.154 3.190 -1.002 8067TIP3 OH230509 0.470 3.420 -1.521 8067TIP3 H130510 0.398 3.355 -1.515 8067TIP3 H230511 0.531 3.376 -1.582 8068TIP3 OH230512 0.970 3.239 -1.477 8068TIP3 H130513 1.046 3.281 -1.520 8068TIP3 H230514 0.896 3.263 -1.534 8069TIP3 OH230515 1.167 3.353 -1.706 8069TIP3 H130516 1.240 3.300 -1.743 8069TIP3 H230517 1.213 3.437 -1.686 8070TIP3 OH230518 -0.271 3.261 -1.774 8070TIP3 H130519 -0.359 3.260 -1.817 8070TIP3 H230520 -0.246 3.169 -1.781 8071TIP3 OH230521 -0.405 3.248 -2.178 8071TIP3 H130522 -0.358 3.315 -2.231 8071TIP3 H230523 -0.452 3.304 -2.113 8072TIP3 OH230524 0.151 3.280 -1.783 8072TIP3 H130525 0.244 3.299 -1.801 8072TIP3 H230526 0.155 3.253 -1.691 8073TIP3 OH230527 0.712 3.289 -1.646 8073TIP3 H130528 0.746 3.262 -1.732 8073TIP3 H230529 0.678 3.204 -1.612 8074TIP3 OH230530 0.827 3.295 -2.040 8074TIP3 H130531 0.741 3.326 -2.072 8074TIP3 H230532 0.805 3.202 -2.019 8075TIP3 OH230533 -0.239 3.430 -2.335 8075TIP3 H130534 -0.176 3.378 -2.388 8075TIP3 H230535 -0.180 3.465 -2.265 8076TIP3 OH230536 0.276 3.450 -2.078 8076TIP3 H130537 0.304 3.394 -2.004 8076TIP3 H230538 0.288 3.538 -2.040 8077TIP3 OH230539 -0.310 3.323 -0.818 8077TIP3 H130540 -0.351 3.243 -0.780 8077TIP3 H230541 -0.219 3.312 -0.785 8078TIP3 OH230542 -0.074 3.263 -0.643 8078TIP3 H130543 0.009 3.227 -0.681 8078TIP3 H230544 -0.108 3.185 -0.597 8079TIP3 OH230545 0.740 3.174 -0.625 8079TIP3 H130546 0.743 3.132 -0.536 8079TIP3 H230547 0.834 3.171 -0.650 8080TIP3 OH230548 2.501 4.207 -1.765 8080TIP3 H130549 2.464 4.295 -1.759 8080TIP3 H230550 2.426 4.159 -1.803 8081TIP3 OH230551 2.382 4.130 -1.433 8081TIP3 H130552 2.382 4.081 -1.350 8081TIP3 H230553 2.352 4.064 -1.496 8082TIP3 OH230554 1.625 4.082 -1.270 8082TIP3 H130555 1.620 4.006 -1.209 8082TIP3 H230556 1.696 4.134 -1.230 8083TIP3 OH230557 1.389 3.879 -1.878 8083TIP3 H130558 1.354 3.970 -1.874 8083TIP3 H230559 1.321 3.834 -1.929 8084TIP3 OH230560 1.479 4.132 -1.700 8084TIP3 H130561 1.483 4.057 -1.637 8084TIP3 H230562 1.566 4.125 -1.740 8085TIP3 OH230563 3.094 3.528 -1.318 8085TIP3 H130564 3.121 3.580 -1.240 8085TIP3 H230565 3.161 3.555 -1.383 8086TIP3 OH230566 2.562 3.806 -1.327 8086TIP3 H130567 2.576 3.710 -1.320 8086TIP3 H230568 2.552 3.816 -1.423 8087TIP3 OH230569 1.858 3.606 -1.618 8087TIP3 H130570 1.872 3.691 -1.664 8087TIP3 H230571 1.823 3.553 -1.693 8088TIP3 OH230572 2.643 3.621 -1.789 8088TIP3 H130573 2.699 3.579 -1.720 8088TIP3 H230574 2.709 3.672 -1.838 8089TIP3 OH230575 1.523 3.875 -1.567 8089TIP3 H130576 1.589 3.832 -1.510 8089TIP3 H230577 1.537 3.828 -1.651 8090TIP3 OH230578 2.068 4.018 -1.620 8090TIP3 H130579 2.135 3.959 -1.580 8090TIP3 H230580 2.013 3.954 -1.668 8091TIP3 OH230581 3.169 3.661 -1.066 8091TIP3 H130582 3.106 3.731 -1.091 8091TIP3 H230583 3.158 3.659 -0.970 8092TIP3 OH230584 1.737 3.484 -1.204 8092TIP3 H130585 1.697 3.536 -1.275 8092TIP3 H230586 1.672 3.498 -1.132 8093TIP3 OH230587 2.010 4.266 -1.227 8093TIP3 H130588 1.929 4.318 -1.215 8093TIP3 H230589 2.075 4.338 -1.229 8094TIP3 OH230590 2.826 3.547 -1.584 8094TIP3 H130591 2.788 3.486 -1.520 8094TIP3 H230592 2.876 3.607 -1.526 8095TIP3 OH230593 1.697 3.690 -1.410 8095TIP3 H130594 1.761 3.746 -1.361 8095TIP3 H230595 1.756 3.653 -1.479 8096TIP3 OH230596 2.839 3.463 -1.200 8096TIP3 H130597 2.762 3.501 -1.245 8096TIP3 H230598 2.911 3.481 -1.262 8097TIP3 OH230599 2.151 3.234 -1.496 8097TIP3 H130600 2.130 3.139 -1.499 8097TIP3 H230601 2.069 3.271 -1.457 8098TIP3 OH230602 2.348 4.144 -2.021 8098TIP3 H130603 2.283 4.180 -2.083 8098TIP3 H230604 2.425 4.134 -2.079 8099TIP3 OH230605 2.389 3.942 -2.301 8099TIP3 H130606 2.464 3.979 -2.249 8099TIP3 H230607 2.437 3.892 -2.368 8100TIP3 OH230608 3.104 4.057 -1.198 8100TIP3 H130609 3.036 4.127 -1.184 8100TIP3 H230610 3.152 4.096 -1.273 8101TIP3 OH230611 2.724 4.140 -1.917 8101TIP3 H130612 2.655 4.162 -1.851 8101TIP3 H230613 2.786 4.087 -1.865 8102TIP3 OH230614 2.694 3.981 -1.027 8102TIP3 H130615 2.696 4.056 -0.966 8102TIP3 H230616 2.637 4.018 -1.096 8103TIP3 OH230617 1.876 4.208 -1.725 8103TIP3 H130618 1.855 4.181 -1.816 8103TIP3 H230619 1.954 4.153 -1.705 8104TIP3 OH230620 1.922 4.073 -1.389 8104TIP3 H130621 1.984 4.075 -1.464 8104TIP3 H230622 1.958 4.143 -1.331 8105TIP3 OH230623 2.604 4.073 -2.155 8105TIP3 H130624 2.660 4.101 -2.079 8105TIP3 H230625 2.649 4.122 -2.229 8106TIP3 OH230626 1.712 4.148 -1.000 8106TIP3 H130627 1.724 4.211 -0.925 8106TIP3 H230628 1.615 4.139 -0.999 8107TIP3 OH230629 2.952 3.247 -2.212 8107TIP3 H130630 2.864 3.256 -2.171 8107TIP3 H230631 2.986 3.338 -2.206 8108TIP3 OH230632 1.761 4.089 -1.974 8108TIP3 H130633 1.745 4.167 -2.031 8108TIP3 H230634 1.699 4.024 -2.011 8109TIP3 OH230635 1.356 4.308 -1.096 8109TIP3 H130636 1.359 4.292 -1.191 8109TIP3 H230637 1.391 4.224 -1.060 8110TIP3 OH230638 2.891 3.837 -0.793 8110TIP3 H130639 2.843 3.874 -0.868 8110TIP3 H230640 2.899 3.743 -0.819 8111TIP3 OH230641 1.910 3.349 -1.403 8111TIP3 H130642 1.827 3.342 -1.454 8111TIP3 H230643 1.887 3.421 -1.343 8112TIP3 OH230644 2.346 3.306 -1.039 8112TIP3 H130645 2.400 3.254 -0.976 8112TIP3 H230646 2.256 3.271 -1.026 8113TIP3 OH230647 2.660 3.685 -0.989 8113TIP3 H130648 2.602 3.670 -0.913 8113TIP3 H230649 2.655 3.782 -1.003 8114TIP3 OH230650 2.746 4.182 -2.358 8114TIP3 H130651 2.724 4.162 -2.451 8114TIP3 H230652 2.842 4.199 -2.368 8115TIP3 OH230653 2.328 3.557 -2.312 8115TIP3 H130654 2.277 3.544 -2.230 8115TIP3 H230655 2.286 3.490 -2.369 8116TIP3 OH230656 1.894 3.825 -1.261 8116TIP3 H130657 1.836 3.838 -1.184 8116TIP3 H230658 1.902 3.916 -1.297 8117TIP3 OH230659 1.890 3.835 -1.775 8117TIP3 H130660 1.794 3.827 -1.791 8117TIP3 H230661 1.924 3.815 -1.864 8118TIP3 OH230662 2.453 3.901 -1.893 8118TIP3 H130663 2.404 3.974 -1.934 8118TIP3 H230664 2.516 3.878 -1.963 8119TIP3 OH230665 2.369 3.921 -0.753 8119TIP3 H130666 2.320 3.843 -0.721 8119TIP3 H230667 2.458 3.905 -0.716 8120TIP3 OH230668 2.533 3.831 -1.620 8120TIP3 H130669 2.505 3.884 -1.697 8120TIP3 H230670 2.557 3.748 -1.666 8121TIP3 OH230671 1.634 3.840 -1.084 8121TIP3 H130672 1.655 3.879 -0.998 8121TIP3 H230673 1.598 3.753 -1.058 8122TIP3 OH230674 1.971 3.603 -2.422 8122TIP3 H130675 1.935 3.567 -2.339 8122TIP3 H230676 1.892 3.616 -2.475 8123TIP3 OH230677 1.311 3.589 -1.712 8123TIP3 H130678 1.373 3.591 -1.637 8123TIP3 H230679 1.366 3.555 -1.784 8124TIP3 OH230680 1.470 3.634 -2.139 8124TIP3 H130681 1.525 3.681 -2.206 8124TIP3 H230682 1.399 3.699 -2.125 8125TIP3 OH230683 2.432 3.997 -1.176 8125TIP3 H130684 2.486 3.930 -1.224 8125TIP3 H230685 2.405 3.945 -1.098 8126TIP3 OH230686 2.166 3.595 -1.671 8126TIP3 H130687 2.072 3.590 -1.648 8126TIP3 H230688 2.209 3.575 -1.586 8127TIP3 OH230689 1.620 3.716 -1.803 8127TIP3 H130690 1.542 3.744 -1.853 8127TIP3 H230691 1.653 3.638 -1.852 8128TIP3 OH230692 1.986 3.751 -2.036 8128TIP3 H130693 2.083 3.758 -2.031 8128TIP3 H230694 1.962 3.810 -2.109 8129TIP3 OH230695 2.604 3.509 -1.370 8129TIP3 H130696 2.542 3.509 -1.295 8129TIP3 H230697 2.546 3.474 -1.440 8130TIP3 OH230698 1.830 3.877 -2.258 8130TIP3 H130699 1.774 3.844 -2.330 8130TIP3 H230700 1.912 3.897 -2.306 8131TIP3 OH230701 1.726 4.316 -0.793 8131TIP3 H130702 1.780 4.365 -0.728 8131TIP3 H230703 1.644 4.304 -0.740 8132TIP3 OH230704 2.266 3.850 -1.489 8132TIP3 H130705 2.342 3.808 -1.533 8132TIP3 H230706 2.251 3.791 -1.413 8133TIP3 OH230707 1.797 3.490 -1.873 8133TIP3 H130708 1.743 3.411 -1.857 8133TIP3 H230709 1.878 3.453 -1.909 8134TIP3 OH230710 2.165 3.695 -1.266 8134TIP3 H130711 2.087 3.753 -1.262 8134TIP3 H230712 2.216 3.720 -1.186 8135TIP3 OH230713 2.136 4.366 -2.052 8135TIP3 H130714 2.095 4.300 -2.112 8135TIP3 H230715 2.185 4.313 -1.988 8136TIP3 OH230716 2.928 4.267 -1.208 8136TIP3 H130717 2.950 4.311 -1.292 8136TIP3 H230718 2.832 4.255 -1.223 8137TIP3 OH230719 2.595 3.618 -2.299 8137TIP3 H130720 2.497 3.613 -2.302 8137TIP3 H230721 2.612 3.689 -2.234 8138TIP3 OH230722 2.665 3.797 -2.090 8138TIP3 H130723 2.753 3.782 -2.050 8138TIP3 H230724 2.675 3.883 -2.133 8139TIP3 OH230725 1.706 4.236 -1.516 8139TIP3 H130726 1.777 4.235 -1.584 8139TIP3 H230727 1.733 4.162 -1.459 8140TIP3 OH230728 1.428 4.078 -0.971 8140TIP3 H130729 1.436 4.043 -0.880 8140TIP3 H230730 1.350 4.030 -1.006 8141TIP3 OH230731 2.115 4.050 -0.766 8141TIP3 H130732 2.082 4.027 -0.855 8141TIP3 H230733 2.209 4.027 -0.775 8142TIP3 OH230734 3.120 3.794 -2.120 8142TIP3 H130735 3.066 3.777 -2.200 8142TIP3 H230736 3.136 3.889 -2.130 8143TIP3 OH230737 2.670 4.180 -1.345 8143TIP3 H130738 2.577 4.177 -1.374 8143TIP3 H230739 2.716 4.130 -1.414 8144TIP3 OH230740 1.523 4.094 -2.313 8144TIP3 H130741 1.582 4.155 -2.267 8144TIP3 H230742 1.438 4.112 -2.269 8145TIP3 OH230743 1.550 3.565 -1.004 8145TIP3 H130744 1.459 3.589 -1.030 8145TIP3 H230745 1.536 3.478 -0.963 8146TIP3 OH230746 1.699 -4.387 -2.130 8146TIP3 H130747 1.609 -4.352 -2.114 8146TIP3 H230748 1.745 -4.305 -2.154 8147TIP3 OH230749 2.446 3.549 -1.150 8147TIP3 H130750 2.509 3.577 -1.081 8147TIP3 H230751 2.399 3.475 -1.107 8148TIP3 OH230752 2.510 3.492 -2.023 8148TIP3 H130753 2.529 3.545 -2.102 8148TIP3 H230754 2.557 3.542 -1.954 8149TIP3 OH230755 2.252 3.694 -1.929 8149TIP3 H130756 2.330 3.751 -1.912 8149TIP3 H230757 2.222 3.674 -1.838 8150TIP3 OH230758 2.293 3.792 -1.012 8150TIP3 H130759 2.297 3.840 -0.927 8150TIP3 H230760 2.340 3.710 -0.990 8151TIP3 OH230761 2.309 3.394 -1.836 8151TIP3 H130762 2.292 3.461 -1.768 8151TIP3 H230763 2.383 3.434 -1.885 8152TIP3 OH230764 1.883 3.495 -2.183 8152TIP3 H130765 1.886 3.570 -2.122 8152TIP3 H230766 1.964 3.446 -2.156 8153TIP3 OH230767 2.915 3.585 -0.923 8153TIP3 H130768 2.819 3.596 -0.941 8153TIP3 H230769 2.944 3.560 -1.012 8154TIP3 OH230770 2.777 3.967 -1.547 8154TIP3 H130771 2.691 3.925 -1.558 8154TIP3 H230772 2.823 3.903 -1.488 8155TIP3 OH230773 1.534 3.799 -2.359 8155TIP3 H130774 1.551 3.893 -2.344 8155TIP3 H230775 1.453 3.800 -2.410 8156TIP3 OH230776 1.630 3.304 -1.485 8156TIP3 H130777 1.612 3.301 -1.581 8156TIP3 H230778 1.598 3.217 -1.454 8157TIP3 OH230779 1.482 4.306 -0.683 8157TIP3 H130780 1.456 4.213 -0.674 8157TIP3 H230781 1.400 4.353 -0.700 8158TIP3 OH230782 2.070 4.329 -0.726 8158TIP3 H130783 2.071 4.345 -0.823 8158TIP3 H230784 2.105 4.238 -0.722 8159TIP3 OH230785 2.672 -4.376 -0.954 8159TIP3 H130786 2.751 -4.329 -0.984 8159TIP3 H230787 2.603 -4.310 -0.970 8160TIP3 OH230788 1.537 4.022 -0.708 8160TIP3 H130789 1.616 3.965 -0.714 8160TIP3 H230790 1.538 4.045 -0.613 8161TIP3 OH230791 1.998 4.160 -2.196 8161TIP3 H130792 1.929 4.119 -2.142 8161TIP3 H230793 2.010 4.094 -2.267 8162TIP3 OH230794 1.910 3.932 -0.969 8162TIP3 H130795 1.854 4.010 -0.950 8162TIP3 H230796 1.974 3.970 -1.032 8163TIP3 OH230797 2.078 3.957 -2.373 8163TIP3 H130798 2.075 3.971 -2.470 8163TIP3 H230799 2.174 3.957 -2.356 8164TIP3 OH230800 2.438 4.216 -0.614 8164TIP3 H130801 2.526 4.195 -0.648 8164TIP3 H230802 2.405 4.129 -0.587 8165TIP3 OH230803 3.000 4.191 -2.447 8165TIP3 H130804 2.999 4.174 -2.543 8165TIP3 H230805 3.025 4.286 -2.442 8166TIP3 OH230806 1.967 3.663 -0.856 8166TIP3 H130807 1.973 3.597 -0.928 8166TIP3 H230808 1.946 3.744 -0.905 8167TIP3 OH230809 2.000 3.510 -1.112 8167TIP3 H130810 2.052 3.562 -1.176 8167TIP3 H230811 1.909 3.514 -1.148 8168TIP3 OH230812 2.149 4.065 -1.081 8168TIP3 H130813 2.234 4.054 -1.126 8168TIP3 H230814 2.116 4.148 -1.120 8169TIP3 OH230815 2.615 3.849 -0.592 8169TIP3 H130816 2.635 3.755 -0.582 8169TIP3 H230817 2.704 3.887 -0.598 8170TIP3 OH230818 2.708 4.136 -0.758 8170TIP3 H130819 2.686 4.208 -0.822 8170TIP3 H230820 2.799 4.116 -0.785 8171TIP3 OH230821 1.781 3.851 -0.678 8171TIP3 H130822 1.732 3.767 -0.678 8171TIP3 H230823 1.864 3.824 -0.720 8172TIP3 OH230824 2.071 3.243 -1.075 8172TIP3 H130825 2.054 3.338 -1.092 8172TIP3 H230826 2.002 3.201 -1.129 8173TIP3 OH230827 2.199 3.701 -0.698 8173TIP3 H130828 2.164 3.681 -0.609 8173TIP3 H230829 2.119 3.681 -0.751 8174TIP3 OH230830 2.451 3.607 -0.810 8174TIP3 H130831 2.364 3.611 -0.768 8174TIP3 H230832 2.499 3.543 -0.753 8175TIP3 OH230833 2.634 3.455 -0.639 8175TIP3 H130834 2.623 3.359 -0.624 8175TIP3 H230835 2.619 3.494 -0.551 8176TIP3 OH230836 1.654 3.594 -0.692 8176TIP3 H130837 1.646 3.524 -0.759 8176TIP3 H230838 1.631 3.546 -0.610 8177TIP3 OH230839 2.056 3.191 -0.794 8177TIP3 H130840 2.116 3.115 -0.789 8177TIP3 H230841 2.053 3.207 -0.891 8178TIP3 OH230842 2.149 3.378 -0.607 8178TIP3 H130843 2.121 3.319 -0.680 8178TIP3 H230844 2.081 3.447 -0.608 8179TIP3 OH230845 3.138 4.131 -2.169 8179TIP3 H130846 3.085 4.100 -2.245 8179TIP3 H230847 3.106 4.224 -2.171 8180TIP3 OH230848 2.977 3.846 -2.362 8180TIP3 H130849 2.992 3.904 -2.438 8180TIP3 H230850 2.947 3.763 -2.404 8181TIP3 OH230851 2.948 3.987 -1.781 8181TIP3 H130852 2.931 3.893 -1.798 8181TIP3 H230853 2.905 3.999 -1.694 8182TIP3 OH230854 1.387 4.187 -1.375 8182TIP3 H130855 1.397 4.204 -1.470 8182TIP3 H230856 1.478 4.161 -1.349 8183TIP3 OH230857 2.987 4.160 -0.853 8183TIP3 H130858 3.058 4.099 -0.826 8183TIP3 H230859 3.032 4.244 -0.871 8184TIP3 OH230860 3.128 3.964 -0.734 8184TIP3 H130861 3.048 3.909 -0.752 8184TIP3 H230862 3.198 3.896 -0.732 8185TIP3 OH230863 2.914 3.582 -2.438 8185TIP3 H130864 2.974 3.529 -2.383 8185TIP3 H230865 2.836 3.526 -2.449 8186TIP3 OH230866 2.903 3.721 -1.939 8186TIP3 H130867 2.919 3.625 -1.929 8186TIP3 H230868 2.983 3.746 -1.989 8187TIP3 OH230869 2.920 3.772 -1.405 8187TIP3 H130870 3.018 3.778 -1.403 8187TIP3 H230871 2.902 3.771 -1.309 8188TIP3 OH230872 2.937 3.838 -1.121 8188TIP3 H130873 2.851 3.875 -1.096 8188TIP3 H230874 2.988 3.918 -1.144 8189TIP3 OH230875 1.385 3.716 -0.754 8189TIP3 H130876 1.479 3.690 -0.751 8189TIP3 H230877 1.341 3.629 -0.746 8190TIP3 OH230878 3.191 3.250 -0.593 8190TIP3 H130879 3.233 3.182 -0.649 8190TIP3 H230880 3.196 3.329 -0.650 8191TIP3 OH230881 2.942 3.435 -1.949 8191TIP3 H130882 2.957 3.398 -1.859 8191TIP3 H230883 2.864 3.383 -1.977 8192TIP3 OH230884 1.463 3.547 -1.474 8192TIP3 H130885 1.509 3.462 -1.465 8192TIP3 H230886 1.531 3.608 -1.440 8193TIP3 OH230887 1.316 3.815 -1.371 8193TIP3 H130888 1.380 3.815 -1.444 8193TIP3 H230889 1.347 3.891 -1.320 8194TIP3 OH230890 3.130 3.457 -0.766 8194TIP3 H130891 3.042 3.500 -0.765 8194TIP3 H230892 3.121 3.402 -0.846 8195TIP3 OH230893 3.142 3.477 -2.283 8195TIP3 H130894 3.171 3.395 -2.327 8195TIP3 H230895 3.225 3.526 -2.276 8196TIP3 OH230896 1.349 3.447 -1.973 8196TIP3 H130897 1.261 3.480 -1.993 8196TIP3 H230898 1.406 3.506 -2.027 8197TIP3 OH230899 1.372 3.338 -1.148 8197TIP3 H130900 1.301 3.309 -1.088 8197TIP3 H230901 1.321 3.388 -1.214 8198TIP3 OH230902 3.016 3.279 -0.968 8198TIP3 H130903 2.936 3.296 -1.022 8198TIP3 H230904 3.040 3.189 -1.000 8199TIP3 OH230905 2.359 3.431 -1.525 8199TIP3 H130906 2.291 3.362 -1.509 8199TIP3 H230907 2.422 3.382 -1.582 8200TIP3 OH230908 2.854 3.235 -1.476 8200TIP3 H130909 2.932 3.276 -1.516 8200TIP3 H230910 2.782 3.263 -1.535 8201TIP3 OH230911 3.060 3.345 -1.698 8201TIP3 H130912 3.135 3.299 -1.740 8201TIP3 H230913 3.096 3.433 -1.680 8202TIP3 OH230914 1.593 3.301 -1.770 8202TIP3 H130915 1.506 3.283 -1.811 8202TIP3 H230916 1.638 3.215 -1.782 8203TIP3 OH230917 1.476 3.250 -2.178 8203TIP3 H130918 1.528 3.316 -2.229 8203TIP3 H230919 1.432 3.306 -2.112 8204TIP3 OH230920 2.041 3.285 -1.780 8204TIP3 H130921 2.133 3.313 -1.794 8204TIP3 H230922 2.040 3.275 -1.684 8205TIP3 OH230923 2.599 3.289 -1.641 8205TIP3 H130924 2.629 3.269 -1.730 8205TIP3 H230925 2.563 3.203 -1.613 8206TIP3 OH230926 2.713 3.288 -2.041 8206TIP3 H130927 2.630 3.338 -2.054 8206TIP3 H230928 2.679 3.199 -2.025 8207TIP3 OH230929 1.647 3.432 -2.334 8207TIP3 H130930 1.707 3.377 -2.387 8207TIP3 H230931 1.708 3.465 -2.266 8208TIP3 OH230932 2.157 3.451 -2.075 8208TIP3 H130933 2.193 3.393 -2.005 8208TIP3 H230934 2.177 3.538 -2.036 8209TIP3 OH230935 1.574 3.324 -0.815 8209TIP3 H130936 1.535 3.243 -0.780 8209TIP3 H230937 1.667 3.312 -0.788 8210TIP3 OH230938 1.814 3.264 -0.641 8210TIP3 H130939 1.895 3.229 -0.682 8210TIP3 H230940 1.778 3.184 -0.599 8211TIP3 OH230941 2.626 3.175 -0.623 8211TIP3 H130942 2.631 3.133 -0.535 8211TIP3 H230943 2.719 3.171 -0.652 8212TIP3 OH230944 4.194 4.105 -1.412 8212TIP3 H130945 4.276 4.126 -1.364 8212TIP3 H230946 4.227 4.080 -1.499 8213TIP3 OH230947 3.509 4.085 -1.271 8213TIP3 H130948 3.504 4.007 -1.213 8213TIP3 H230949 3.581 4.133 -1.227 8214TIP3 OH230950 3.252 3.917 -1.895 8214TIP3 H130951 3.188 3.953 -1.832 8214TIP3 H230952 3.212 3.832 -1.916 8215TIP3 OH230953 3.339 4.152 -1.735 8215TIP3 H130954 3.320 4.082 -1.669 8215TIP3 H230955 3.435 4.143 -1.735 8216TIP3 OH230956 3.744 3.607 -1.619 8216TIP3 H130957 3.758 3.693 -1.664 8216TIP3 H230958 3.709 3.554 -1.693 8217TIP3 OH230959 3.406 3.882 -1.571 8217TIP3 H130960 3.472 3.843 -1.511 8217TIP3 H230961 3.425 3.832 -1.653 8218TIP3 OH230962 3.953 4.015 -1.619 8218TIP3 H130963 4.026 3.960 -1.584 8218TIP3 H230964 3.900 3.948 -1.665 8219TIP3 OH230965 3.628 3.485 -1.204 8219TIP3 H130966 3.585 3.536 -1.274 8219TIP3 H230967 3.561 3.493 -1.132 8220TIP3 OH230968 3.890 4.266 -1.222 8220TIP3 H130969 3.811 4.322 -1.217 8220TIP3 H230970 3.960 4.333 -1.220 8221TIP3 OH230971 3.582 3.693 -1.411 8221TIP3 H130972 3.648 3.747 -1.361 8221TIP3 H230973 3.641 3.654 -1.478 8222TIP3 OH230974 4.043 3.231 -1.490 8222TIP3 H130975 4.015 3.137 -1.489 8222TIP3 H230976 3.964 3.274 -1.452 8223TIP3 OH230977 4.265 4.126 -2.026 8223TIP3 H130978 4.197 4.192 -2.050 8223TIP3 H230979 4.329 4.141 -2.096 8224TIP3 OH230980 4.285 3.957 -2.296 8224TIP3 H130981 4.372 3.962 -2.255 8224TIP3 H230982 4.297 3.893 -2.367 8225TIP3 OH230983 3.765 4.212 -1.729 8225TIP3 H130984 3.742 4.173 -1.815 8225TIP3 H230985 3.838 4.154 -1.700 8226TIP3 OH230986 3.803 4.082 -1.394 8226TIP3 H130987 3.872 4.073 -1.462 8226TIP3 H230988 3.844 4.145 -1.332 8227TIP3 OH230989 3.597 4.152 -1.003 8227TIP3 H130990 3.610 4.212 -0.925 8227TIP3 H230991 3.501 4.142 -1.000 8228TIP3 OH230992 3.646 4.090 -1.973 8228TIP3 H130993 3.631 4.166 -2.034 8228TIP3 H230994 3.588 4.022 -2.009 8229TIP3 OH230995 3.262 4.312 -1.100 8229TIP3 H130996 3.238 4.286 -1.190 8229TIP3 H230997 3.279 4.226 -1.057 8230TIP3 OH230998 3.798 3.351 -1.406 8230TIP3 H130999 3.714 3.341 -1.454 8230TIP3 H231000 3.774 3.420 -1.343 8231TIP3 OH231001 4.234 3.284 -0.977 8231TIP3 H131002 4.244 3.212 -0.913 8231TIP3 H231003 4.143 3.269 -1.008 8232TIP3 OH231004 4.232 3.564 -2.307 8232TIP3 H131005 4.171 3.548 -2.233 8232TIP3 H231006 4.202 3.496 -2.369 8233TIP3 OH231007 3.777 3.828 -1.261 8233TIP3 H131008 3.721 3.837 -1.182 8233TIP3 H231009 3.783 3.919 -1.294 8234TIP3 OH231010 3.773 3.835 -1.776 8234TIP3 H131011 3.677 3.826 -1.792 8234TIP3 H231012 3.808 3.815 -1.864 8235TIP3 OH231013 4.275 3.878 -1.831 8235TIP3 H131014 4.271 3.974 -1.849 8235TIP3 H231015 4.367 3.863 -1.804 8236TIP3 OH231016 4.263 3.923 -0.706 8236TIP3 H131017 4.197 3.852 -0.716 8236TIP3 H231018 4.343 3.872 -0.731 8237TIP3 OH231019 3.519 3.843 -1.081 8237TIP3 H131020 3.543 3.876 -0.994 8237TIP3 H231021 3.486 3.754 -1.059 8238TIP3 OH231022 3.861 3.609 -2.421 8238TIP3 H131023 3.823 3.569 -2.340 8238TIP3 H231024 3.784 3.617 -2.479 8239TIP3 OH231025 3.213 3.610 -1.724 8239TIP3 H131026 3.261 3.592 -1.641 8239TIP3 H231027 3.250 3.546 -1.787 8240TIP3 OH231028 3.360 3.634 -2.142 8240TIP3 H131029 3.413 3.681 -2.209 8240TIP3 H231030 3.288 3.697 -2.128 8241TIP3 OH231031 4.346 3.973 -1.142 8241TIP3 H131032 4.378 3.902 -1.202 8241TIP3 H231033 4.272 3.925 -1.100 8242TIP3 OH231034 4.049 3.579 -1.668 8242TIP3 H131035 3.955 3.584 -1.644 8242TIP3 H231036 4.090 3.586 -1.580 8243TIP3 OH231037 3.506 3.725 -1.814 8243TIP3 H131038 3.418 3.733 -1.854 8243TIP3 H231039 3.538 3.641 -1.853 8244TIP3 OH231040 3.873 3.747 -2.039 8244TIP3 H131041 3.969 3.760 -2.030 8244TIP3 H231042 3.847 3.811 -2.108 8245TIP3 OH231043 3.718 3.882 -2.260 8245TIP3 H131044 3.662 3.844 -2.330 8245TIP3 H231045 3.802 3.893 -2.307 8246TIP3 OH231046 3.611 4.319 -0.795 8246TIP3 H131047 3.668 4.360 -0.726 8246TIP3 H231048 3.530 4.303 -0.741 8247TIP3 OH231049 4.145 3.829 -1.527 8247TIP3 H131050 4.215 3.781 -1.573 8247TIP3 H231051 4.161 3.802 -1.434 8248TIP3 OH231052 3.679 3.493 -1.873 8248TIP3 H131053 3.623 3.415 -1.855 8248TIP3 H231054 3.760 3.452 -1.906 8249TIP3 OH231055 4.051 3.686 -1.263 8249TIP3 H131056 3.978 3.749 -1.271 8249TIP3 H231057 4.105 3.726 -1.192 8250TIP3 OH231058 4.067 4.334 -2.064 8250TIP3 H131059 3.994 4.290 -2.113 8250TIP3 H231060 4.044 4.319 -1.972 8251TIP3 OH231061 3.572 4.224 -1.537 8251TIP3 H131062 3.656 4.231 -1.587 8251TIP3 H231063 3.599 4.163 -1.465 8252TIP3 OH231064 3.306 4.082 -0.966 8252TIP3 H131065 3.324 4.042 -0.878 8252TIP3 H231066 3.238 4.024 -1.003 8253TIP3 OH231067 4.002 4.068 -0.755 8253TIP3 H131068 3.954 4.009 -0.815 8253TIP3 H231069 4.088 4.025 -0.748 8254TIP3 OH231070 3.401 4.092 -2.309 8254TIP3 H131071 3.467 4.149 -2.268 8254TIP3 H231072 3.320 4.124 -2.266 8255TIP3 OH231073 3.439 3.563 -1.009 8255TIP3 H131074 3.347 3.588 -1.029 8255TIP3 H231075 3.425 3.479 -0.961 8256TIP3 OH231076 3.586 -4.386 -2.130 8256TIP3 H131077 3.496 -4.349 -2.117 8256TIP3 H231078 3.634 -4.307 -2.158 8257TIP3 OH231079 4.339 3.590 -1.100 8257TIP3 H131080 4.375 3.516 -1.052 8257TIP3 H231081 4.272 3.549 -1.156 8258TIP3 OH231082 4.135 3.675 -1.931 8258TIP3 H131083 4.197 3.747 -1.904 8258TIP3 H231084 4.099 3.656 -1.843 8259TIP3 OH231085 4.176 3.793 -1.019 8259TIP3 H131086 4.172 3.828 -0.929 8259TIP3 H231087 4.236 3.717 -1.011 8260TIP3 OH231088 4.193 3.389 -1.812 8260TIP3 H131089 4.166 3.467 -1.758 8260TIP3 H231090 4.271 3.424 -1.858 8261TIP3 OH231091 3.769 3.496 -2.185 8261TIP3 H131092 3.770 3.570 -2.122 8261TIP3 H231093 3.848 3.446 -2.159 8262TIP3 OH231094 3.423 3.800 -2.360 8262TIP3 H131095 3.434 3.895 -2.343 8262TIP3 H231096 3.341 3.797 -2.411 8263TIP3 OH231097 3.518 3.303 -1.485 8263TIP3 H131098 3.496 3.298 -1.580 8263TIP3 H231099 3.484 3.218 -1.451 8264TIP3 OH231100 3.366 4.306 -0.684 8264TIP3 H131101 3.346 4.213 -0.665 8264TIP3 H231102 3.281 4.346 -0.705 8265TIP3 OH231103 3.960 4.332 -0.723 8265TIP3 H131104 3.958 4.339 -0.820 8265TIP3 H231105 3.986 4.238 -0.713 8266TIP3 OH231106 3.430 4.017 -0.709 8266TIP3 H131107 3.499 3.950 -0.711 8266TIP3 H231108 3.434 4.044 -0.615 8267TIP3 OH231109 3.876 4.163 -2.193 8267TIP3 H131110 3.814 4.113 -2.140 8267TIP3 H231111 3.900 4.100 -2.263 8268TIP3 OH231112 3.798 3.944 -0.962 8268TIP3 H131113 3.741 4.021 -0.948 8268TIP3 H231114 3.861 3.977 -1.029 8269TIP3 OH231115 3.977 3.957 -2.369 8269TIP3 H131116 3.971 3.967 -2.466 8269TIP3 H231117 4.073 3.969 -2.354 8270TIP3 OH231118 4.287 4.197 -0.602 8270TIP3 H131119 4.351 4.161 -0.664 8270TIP3 H231120 4.235 4.118 -0.585 8271TIP3 OH231121 3.863 3.671 -0.844 8271TIP3 H131122 3.848 3.611 -0.918 8271TIP3 H231123 3.821 3.754 -0.873 8272TIP3 OH231124 3.886 3.511 -1.104 8272TIP3 H131125 3.934 3.571 -1.165 8272TIP3 H231126 3.794 3.515 -1.137 8273TIP3 OH231127 4.058 4.062 -1.089 8273TIP3 H131128 4.134 4.060 -1.149 8273TIP3 H231129 4.018 4.148 -1.110 8274TIP3 OH231130 3.973 3.251 -1.078 8274TIP3 H131131 3.946 3.345 -1.089 8274TIP3 H231132 3.903 3.206 -1.130 8275TIP3 OH231133 4.102 3.692 -0.711 8275TIP3 H131134 4.069 3.668 -0.623 8275TIP3 H231135 4.020 3.676 -0.763 8276TIP3 OH231136 3.535 3.608 -0.705 8276TIP3 H131137 3.532 3.529 -0.760 8276TIP3 H231138 3.521 3.573 -0.615 8277TIP3 OH231139 3.941 3.190 -0.793 8277TIP3 H131140 4.006 3.118 -0.791 8277TIP3 H231141 3.940 3.211 -0.888 8278TIP3 OH231142 4.043 3.370 -0.602 8278TIP3 H131143 4.004 3.319 -0.676 8278TIP3 H231144 3.979 3.444 -0.594 8279TIP3 OH231145 3.274 4.190 -1.379 8279TIP3 H131146 3.291 4.190 -1.474 8279TIP3 H231147 3.361 4.162 -1.344 8280TIP3 OH231148 3.270 3.713 -0.767 8280TIP3 H131149 3.365 3.698 -0.746 8280TIP3 H231150 3.233 3.626 -0.748 8281TIP3 OH231151 3.348 3.548 -1.478 8281TIP3 H131152 3.391 3.462 -1.464 8281TIP3 H231153 3.415 3.608 -1.439 8282TIP3 OH231154 3.202 3.816 -1.371 8282TIP3 H131155 3.264 3.812 -1.445 8282TIP3 H231156 3.237 3.891 -1.321 8283TIP3 OH231157 3.249 3.449 -1.963 8283TIP3 H131158 3.155 3.454 -1.985 8283TIP3 H231159 3.291 3.507 -2.029 8284TIP3 OH231160 3.258 3.343 -1.146 8284TIP3 H131161 3.189 3.305 -1.090 8284TIP3 H231162 3.204 3.384 -1.216 8285TIP3 OH231163 4.263 3.398 -1.521 8285TIP3 H131164 4.181 3.348 -1.508 8285TIP3 H231165 4.296 3.359 -1.603 8286TIP3 OH231166 3.482 3.302 -1.772 8286TIP3 H131167 3.394 3.285 -1.812 8286TIP3 H231168 3.523 3.214 -1.780 8287TIP3 OH231169 3.360 3.251 -2.181 8287TIP3 H131170 3.412 3.316 -2.231 8287TIP3 H231171 3.322 3.304 -2.110 8288TIP3 OH231172 3.932 3.286 -1.779 8288TIP3 H131173 4.025 3.314 -1.786 8288TIP3 H231174 3.924 3.275 -1.684 8289TIP3 OH231175 3.533 3.433 -2.336 8289TIP3 H131176 3.592 3.377 -2.388 8289TIP3 H231177 3.594 3.465 -2.267 8290TIP3 OH231178 4.066 3.451 -2.080 8290TIP3 H131179 4.066 3.390 -2.005 8290TIP3 H231180 4.061 3.537 -2.035 8291TIP3 OH231181 3.458 3.331 -0.810 8291TIP3 H131182 3.422 3.247 -0.778 8291TIP3 H231183 3.551 3.322 -0.785 8292TIP3 OH231184 3.698 3.261 -0.642 8292TIP3 H131185 3.781 3.227 -0.681 8292TIP3 H231186 3.663 3.181 -0.600 8293TIP3 OH231187 -3.161 -3.367 0.145 8293TIP3 H131188 -3.160 -3.271 0.155 8293TIP3 H231189 -3.237 -3.379 0.086 8294TIP3 OH231190 -3.277 -3.422 0.451 8294TIP3 H131191 -3.276 -3.478 0.530 8294TIP3 H231192 -3.302 -3.485 0.382 8295TIP3 OH231193 -4.029 -3.463 0.616 8295TIP3 H131194 -4.032 -3.537 0.679 8295TIP3 H231195 -3.958 -3.409 0.654 8296TIP3 OH231196 -2.908 -3.149 0.283 8296TIP3 H131197 -2.944 -3.220 0.338 8296TIP3 H231198 -2.876 -3.087 0.350 8297TIP3 OH231199 -3.960 -3.003 0.467 8297TIP3 H131200 -3.987 -3.092 0.440 8297TIP3 H231201 -3.866 -3.017 0.485 8298TIP3 OH231202 -4.214 -3.612 -0.107 8298TIP3 H131203 -4.227 -3.536 -0.048 8298TIP3 H231204 -4.306 -3.639 -0.121 8299TIP3 OH231205 -4.204 -3.430 0.165 8299TIP3 H131206 -4.188 -3.488 0.241 8299TIP3 H231207 -4.120 -3.383 0.156 8300TIP3 OH231208 -3.203 -2.614 0.340 8300TIP3 H131209 -3.143 -2.683 0.307 8300TIP3 H231210 -3.227 -2.649 0.426 8301TIP3 OH231211 -3.426 -3.172 0.508 8301TIP3 H131212 -3.393 -3.244 0.451 8301TIP3 H231213 -3.345 -3.155 0.559 8302TIP3 OH231214 -2.563 -4.013 0.554 8302TIP3 H131215 -2.532 -3.982 0.640 8302TIP3 H231216 -2.496 -3.974 0.496 8303TIP3 OH231217 -3.100 -3.740 0.560 8303TIP3 H131218 -3.077 -3.835 0.561 8303TIP3 H231219 -3.105 -3.724 0.464 8304TIP3 OH231220 -3.802 -3.941 0.270 8304TIP3 H131221 -3.783 -3.857 0.224 8304TIP3 H231222 -3.832 -3.995 0.195 8305TIP3 OH231223 -3.011 -3.922 0.102 8305TIP3 H131224 -2.950 -3.964 0.166 8305TIP3 H231225 -2.948 -3.877 0.044 8306TIP3 OH231226 -4.139 -3.663 0.320 8306TIP3 H131227 -4.080 -3.705 0.385 8306TIP3 H231228 -4.120 -3.716 0.241 8307TIP3 OH231229 -3.593 -3.526 0.264 8307TIP3 H131230 -3.522 -3.580 0.301 8307TIP3 H231231 -3.643 -3.593 0.214 8308TIP3 OH231232 -2.472 -3.841 0.819 8308TIP3 H131233 -2.560 -3.803 0.803 8308TIP3 H231234 -2.486 -3.904 0.890 8309TIP3 OH231235 -3.917 -4.051 0.689 8309TIP3 H131236 -3.957 -4.010 0.612 8309TIP3 H231237 -3.987 -4.034 0.756 8310TIP3 OH231238 -3.172 -3.084 0.023 8310TIP3 H131239 -3.200 -3.103 -0.067 8310TIP3 H231240 -3.215 -2.998 0.041 8311TIP3 OH231241 -3.626 -3.270 0.695 8311TIP3 H131242 -3.698 -3.209 0.720 8311TIP3 H231243 -3.562 -3.210 0.651 8312TIP3 OH231244 -2.823 -4.015 0.305 8312TIP3 H131245 -2.873 -4.058 0.376 8312TIP3 H231246 -2.769 -3.952 0.355 8313TIP3 OH231247 -3.958 -3.850 0.476 8313TIP3 H131248 -3.893 -3.793 0.521 8313TIP3 H231249 -3.902 -3.888 0.405 8314TIP3 OH231250 -3.828 -3.083 0.768 8314TIP3 H131251 -3.829 -2.992 0.735 8314TIP3 H231252 -3.916 -3.088 0.809 8315TIP3 OH231253 -4.183 -3.119 -0.142 8315TIP3 H131254 -4.264 -3.101 -0.194 8315TIP3 H231255 -4.192 -3.058 -0.067 8316TIP3 OH231256 -2.852 -2.968 0.533 8316TIP3 H131257 -2.948 -2.954 0.533 8316TIP3 H231258 -2.821 -2.883 0.496 8317TIP3 OH231259 -2.807 -4.111 0.702 8317TIP3 H131260 -2.887 -4.076 0.660 8317TIP3 H231261 -2.739 -4.096 0.634 8318TIP3 OH231262 -3.496 4.381 0.415 8318TIP3 H131263 -3.502 4.285 0.415 8318TIP3 H231264 -3.586 4.412 0.437 8319TIP3 OH231265 -3.020 -2.773 0.189 8319TIP3 H131266 -2.972 -2.852 0.159 8319TIP3 H231267 -2.951 -2.704 0.179 8320TIP3 OH231268 -2.876 -2.987 0.052 8320TIP3 H131269 -2.925 -3.034 -0.018 8320TIP3 H231270 -2.881 -3.051 0.125 8321TIP3 OH231271 -2.723 -3.105 0.901 8321TIP3 H131272 -2.731 -3.169 0.827 8321TIP3 H231273 -2.709 -3.022 0.853 8322TIP3 OH231274 -3.297 -3.415 -0.130 8322TIP3 H131275 -3.361 -3.353 -0.169 8322TIP3 H231276 -3.223 -3.409 -0.194 8323TIP3 OH231277 -3.267 -3.596 -0.425 8323TIP3 H131278 -3.198 -3.565 -0.363 8323TIP3 H231279 -3.214 -3.653 -0.483 8324TIP3 OH231280 -2.546 -3.487 0.699 8324TIP3 H131281 -2.617 -3.421 0.702 8324TIP3 H231282 -2.496 -3.458 0.620 8325TIP3 OH231283 -2.944 -3.416 -0.022 8325TIP3 H131284 -3.012 -3.393 0.046 8325TIP3 H231285 -2.882 -3.470 0.030 8326TIP3 OH231286 -2.961 -3.562 0.861 8326TIP3 H131287 -2.954 -3.481 0.914 8326TIP3 H231288 -3.024 -3.531 0.794 8327TIP3 OH231289 -3.783 -3.337 0.155 8327TIP3 H131290 -3.815 -3.381 0.074 8327TIP3 H231291 -3.718 -3.401 0.188 8328TIP3 OH231292 -3.649 -2.999 0.430 8328TIP3 H131293 -3.657 -3.035 0.341 8328TIP3 H231294 -3.568 -3.044 0.462 8329TIP3 OH231295 -3.728 -3.454 0.503 8329TIP3 H131296 -3.670 -3.453 0.425 8329TIP3 H231297 -3.686 -3.389 0.563 8330TIP3 OH231298 -3.135 -2.904 0.562 8330TIP3 H131299 -3.129 -2.837 0.632 8330TIP3 H231300 -3.154 -2.986 0.610 8331TIP3 OH231301 -3.642 -3.026 0.988 8331TIP3 H131302 -3.694 -2.958 1.036 8331TIP3 H231303 -3.706 -3.051 0.918 8332TIP3 OH231304 -3.049 -3.471 -0.276 8332TIP3 H131305 -3.001 -3.443 -0.195 8332TIP3 H231306 -2.999 -3.420 -0.345 8333TIP3 OH231307 -3.956 -3.390 0.904 8333TIP3 H131308 -3.947 -3.329 0.979 8333TIP3 H231309 -4.053 -3.393 0.893 8334TIP3 OH231310 -3.305 -2.810 0.081 8334TIP3 H131311 -3.254 -2.781 0.158 8334TIP3 H231312 -3.353 -2.730 0.054 8335TIP3 OH231313 -3.836 -2.808 1.072 8335TIP3 H131314 -3.842 -2.803 0.975 8335TIP3 H231315 -3.927 -2.827 1.099 8336TIP3 OH231316 -2.728 -4.325 -0.353 8336TIP3 H131317 -2.771 -4.322 -0.267 8336TIP3 H231318 -2.652 -4.268 -0.336 8337TIP3 OH231319 -3.893 -3.464 -0.092 8337TIP3 H131320 -3.916 -3.387 -0.147 8337TIP3 H231321 -3.962 -3.527 -0.116 8338TIP3 OH231322 -2.566 -2.878 -0.471 8338TIP3 H131323 -2.548 -2.785 -0.447 8338TIP3 H231324 -2.479 -2.920 -0.452 8339TIP3 OH231325 -4.267 -3.180 0.761 8339TIP3 H131326 -4.287 -3.215 0.672 8339TIP3 H231327 -4.306 -3.250 0.817 8340TIP3 OH231328 -4.281 -2.900 0.458 8340TIP3 H131329 -4.197 -2.944 0.476 8340TIP3 H231330 -4.298 -2.853 0.540 8341TIP3 OH231331 -2.441 -2.842 1.056 8341TIP3 H131332 -2.452 -2.936 1.032 8341TIP3 H231333 -2.533 -2.818 1.080 8342TIP3 OH231334 -3.378 -2.920 0.932 8342TIP3 H131335 -3.370 -2.837 0.983 8342TIP3 H231336 -3.468 -2.949 0.955 8343TIP3 OH231337 -3.354 -2.537 -0.072 8343TIP3 H131338 -3.346 -2.528 -0.168 8343TIP3 H231339 -3.343 -2.446 -0.040 8344TIP3 OH231340 -3.979 -2.623 0.093 8344TIP3 H131341 -3.953 -2.666 0.177 8344TIP3 H231342 -4.055 -2.678 0.070 8345TIP3 OH231343 -3.020 -2.596 -0.353 8345TIP3 H131344 -2.961 -2.661 -0.397 8345TIP3 H231345 -3.024 -2.634 -0.263 8346TIP3 OH231346 -3.081 -2.653 -0.074 8346TIP3 H131347 -3.175 -2.642 -0.056 8346TIP3 H231348 -3.059 -2.723 -0.009 8347TIP3 OH231349 -2.763 -3.708 1.092 8347TIP3 H131350 -2.812 -3.668 1.019 8347TIP3 H231351 -2.755 -3.800 1.063 8348TIP3 OH231352 -4.072 -3.040 0.910 8348TIP3 H131353 -4.042 -3.099 0.982 8348TIP3 H231354 -4.147 -3.090 0.870 8349TIP3 OH231355 -3.753 -4.223 0.498 8349TIP3 H131356 -3.839 -4.230 0.454 8349TIP3 H231357 -3.763 -4.136 0.540 8350TIP3 OH231358 -3.290 -4.263 0.854 8350TIP3 H131359 -3.270 -4.308 0.936 8350TIP3 H231360 -3.385 -4.277 0.846 8351TIP3 OH231361 -2.996 -3.864 0.894 8351TIP3 H131362 -3.050 -3.875 0.974 8351TIP3 H231363 -2.998 -3.768 0.878 8352TIP3 OH231364 -2.895 -3.363 -0.476 8352TIP3 H131365 -2.914 -3.380 -0.571 8352TIP3 H231366 -2.801 -3.337 -0.481 8353TIP3 OH231367 -3.329 -3.993 -0.431 8353TIP3 H131368 -3.383 -4.004 -0.350 8353TIP3 H231369 -3.378 -4.054 -0.490 8354TIP3 OH231370 -3.761 -3.714 0.623 8354TIP3 H131371 -3.821 -3.703 0.699 8354TIP3 H231372 -3.754 -3.624 0.587 8355TIP3 OH231373 -3.770 -3.710 0.113 8355TIP3 H131374 -3.865 -3.716 0.094 8355TIP3 H231375 -3.733 -3.727 0.024 8356TIP3 OH231376 -3.206 -3.652 -0.012 8356TIP3 H131377 -3.247 -3.569 -0.044 8356TIP3 H231378 -3.138 -3.667 -0.079 8357TIP3 OH231379 -3.287 -3.631 1.123 8357TIP3 H131380 -3.338 -3.707 1.160 8357TIP3 H231381 -3.200 -3.644 1.165 8358TIP3 OH231382 -3.122 -3.711 0.267 8358TIP3 H131383 -3.150 -3.653 0.194 8358TIP3 H231384 -3.100 -3.792 0.216 8359TIP3 OH231385 -4.026 -3.697 0.807 8359TIP3 H131386 -3.995 -3.663 0.891 8359TIP3 H231387 -4.052 -3.788 0.830 8360TIP3 OH231388 -3.690 -3.940 -0.535 8360TIP3 H131389 -3.723 -3.978 -0.451 8360TIP3 H231390 -3.770 -3.928 -0.587 8361TIP3 OH231391 -4.317 -3.938 0.169 8361TIP3 H131392 -4.305 -3.970 0.261 8361TIP3 H231393 -4.293 -4.016 0.117 8362TIP3 OH231394 -4.207 -3.896 -0.245 8362TIP3 H131395 -4.150 -3.865 -0.318 8362TIP3 H231396 -4.291 -3.854 -0.266 8363TIP3 OH231397 -3.213 -3.544 0.712 8363TIP3 H131398 -3.168 -3.616 0.662 8363TIP3 H231399 -3.242 -3.590 0.791 8364TIP3 OH231400 -3.490 -3.941 0.211 8364TIP3 H131401 -3.583 -3.961 0.231 8364TIP3 H231402 -3.446 -3.971 0.292 8365TIP3 OH231403 -4.039 -3.821 0.076 8365TIP3 H131404 -4.116 -3.811 0.018 8365TIP3 H231405 -4.002 -3.905 0.044 8366TIP3 OH231406 -3.671 -3.791 -0.149 8366TIP3 H131407 -3.574 -3.786 -0.144 8366TIP3 H231408 -3.694 -3.730 -0.221 8367TIP3 OH231409 -3.056 -4.033 0.515 8367TIP3 H131410 -3.119 -4.035 0.590 8367TIP3 H231411 -3.115 -4.063 0.444 8368TIP3 OH231412 -3.825 -3.667 -0.374 8368TIP3 H131413 -3.882 -3.698 -0.446 8368TIP3 H231414 -3.743 -3.648 -0.422 8369TIP3 OH231415 -2.751 -2.455 1.182 8369TIP3 H131416 -2.728 -2.411 1.098 8369TIP3 H231417 -2.678 -2.425 1.240 8370TIP3 OH231418 -3.953 -3.196 1.124 8370TIP3 H131419 -3.890 -3.192 1.199 8370TIP3 H231420 -4.037 -3.185 1.174 8371TIP3 OH231421 -3.389 -3.694 0.397 8371TIP3 H131422 -3.316 -3.736 0.349 8371TIP3 H231423 -3.404 -3.757 0.470 8372TIP3 OH231424 -3.880 -4.060 0.021 8372TIP3 H131425 -3.923 -4.146 0.033 8372TIP3 H231426 -3.794 -4.085 -0.018 8373TIP3 OH231427 -3.493 -3.851 0.623 8373TIP3 H131428 -3.567 -3.788 0.622 8373TIP3 H231429 -3.443 -3.823 0.702 8374TIP3 OH231430 -3.479 -3.208 -0.190 8374TIP3 H131431 -3.555 -3.260 -0.224 8374TIP3 H231432 -3.497 -3.204 -0.093 8375TIP3 OH231433 -2.756 -3.293 0.685 8375TIP3 H131434 -2.704 -3.240 0.620 8375TIP3 H231435 -2.841 -3.304 0.637 8376TIP3 OH231436 -3.061 -3.932 -0.427 8376TIP3 H131437 -3.159 -3.938 -0.425 8376TIP3 H231438 -3.041 -3.863 -0.361 8377TIP3 OH231439 -3.316 -3.210 0.943 8377TIP3 H131440 -3.342 -3.240 1.031 8377TIP3 H231441 -3.343 -3.116 0.943 8378TIP3 OH231442 -2.996 -3.749 -0.213 8378TIP3 H131443 -2.909 -3.763 -0.169 8378TIP3 H231444 -2.986 -3.660 -0.250 8379TIP3 OH231445 -3.978 -3.280 0.380 8379TIP3 H131446 -3.909 -3.286 0.311 8379TIP3 H231447 -3.961 -3.360 0.432 8380TIP3 OH231448 -3.238 -3.073 -0.297 8380TIP3 H131449 -3.263 -2.987 -0.258 8380TIP3 H231450 -3.314 -3.128 -0.269 8381TIP3 OH231451 -4.240 -3.425 0.948 8381TIP3 H131452 -4.230 -3.492 1.019 8381TIP3 H231453 -4.287 -3.476 0.878 8382TIP3 OH231454 -3.541 -3.494 1.118 8382TIP3 H131455 -3.574 -3.517 1.030 8382TIP3 H231456 -3.447 -3.520 1.109 8383TIP3 OH231457 -3.088 -2.953 0.890 8383TIP3 H131458 -3.184 -2.941 0.884 8383TIP3 H231459 -3.070 -2.924 0.981 8384TIP3 OH231460 -2.535 -3.745 -0.232 8384TIP3 H131461 -2.591 -3.764 -0.310 8384TIP3 H231462 -2.523 -3.649 -0.246 8385TIP3 OH231463 -2.489 -3.141 1.048 8385TIP3 H131464 -2.583 -3.119 1.028 8385TIP3 H231465 -2.455 -3.160 0.959 8386TIP3 OH231466 -2.721 -2.886 -0.228 8386TIP3 H131467 -2.733 -2.961 -0.168 8386TIP3 H231468 -2.658 -2.919 -0.293 8387TIP3 OH231469 -2.990 -3.350 0.516 8387TIP3 H131470 -3.082 -3.365 0.490 8387TIP3 H231471 -2.945 -3.422 0.466 8388TIP3 OH231472 -3.728 -2.942 0.121 8388TIP3 H131473 -3.685 -2.856 0.107 8388TIP3 H231474 -3.819 -2.922 0.095 8389TIP3 OH231475 -4.152 -3.444 -0.413 8389TIP3 H131476 -4.080 -3.391 -0.374 8389TIP3 H231477 -4.228 -3.388 -0.393 8390TIP3 OH231478 -3.543 -3.173 0.080 8390TIP3 H131479 -3.572 -3.082 0.096 8390TIP3 H231480 -3.614 -3.223 0.123 8391TIP3 OH231481 -3.526 -2.746 0.716 8391TIP3 H131482 -3.470 -2.672 0.687 8391TIP3 H231483 -3.464 -2.796 0.771 8392TIP3 OH231484 -3.681 -2.652 0.041 8392TIP3 H131485 -3.777 -2.637 0.048 8392TIP3 H231486 -3.645 -2.565 0.064 8393TIP3 OH231487 -3.186 -3.172 0.672 8393TIP3 H131488 -3.213 -3.200 0.762 8393TIP3 H231489 -3.111 -3.232 0.655 8394TIP3 OH231490 -2.971 -3.043 -0.435 8394TIP3 H131491 -2.925 -3.085 -0.361 8394TIP3 H231492 -3.063 -3.057 -0.407 8395TIP3 OH231493 -2.892 -2.714 0.913 8395TIP3 H131494 -2.967 -2.758 0.869 8395TIP3 H231495 -2.879 -2.635 0.858 8396TIP3 OH231496 -2.490 -2.605 -0.376 8396TIP3 H131497 -2.430 -2.545 -0.423 8396TIP3 H231498 -2.571 -2.550 -0.376 8397TIP3 OH231499 -4.107 -3.957 0.883 8397TIP3 H131500 -4.196 -3.924 0.864 8397TIP3 H231501 -4.124 -4.045 0.922 8398TIP3 OH231502 -2.873 -3.180 -0.195 8398TIP3 H131503 -2.898 -3.253 -0.136 8398TIP3 H231504 -2.776 -3.182 -0.189 8399TIP3 OH231505 -4.129 -2.799 0.726 8399TIP3 H131506 -4.109 -2.893 0.735 8399TIP3 H231507 -4.094 -2.766 0.809 8400TIP3 OH231508 -3.547 -2.936 -0.578 8400TIP3 H131509 -3.514 -3.014 -0.626 8400TIP3 H231510 -3.586 -2.977 -0.500 8401TIP3 OH231511 -3.664 -2.986 -0.304 8401TIP3 H131512 -3.610 -3.039 -0.243 8401TIP3 H231513 -3.647 -2.895 -0.273 8402TIP3 OH231514 -3.987 -3.244 -0.272 8402TIP3 H131515 -4.056 -3.203 -0.216 8402TIP3 H231516 -3.936 -3.165 -0.295 8403TIP3 OH231517 -3.217 -4.006 0.746 8403TIP3 H131518 -3.151 -3.980 0.812 8403TIP3 H231519 -3.249 -4.092 0.780 8404TIP3 OH231520 -3.135 -4.057 -0.141 8404TIP3 H131521 -3.129 -3.997 -0.216 8404TIP3 H231522 -3.100 -4.002 -0.069 8405TIP3 OH231523 -3.366 -2.823 -0.243 8405TIP3 H131524 -3.447 -2.772 -0.226 8405TIP3 H231525 -3.328 -2.776 -0.318 8406TIP3 OH231526 -3.403 -3.852 -0.041 8406TIP3 H131527 -3.329 -3.788 -0.028 8406TIP3 H231528 -3.432 -3.867 0.051 8407TIP3 OH231529 -3.372 -3.762 0.873 8407TIP3 H131530 -3.361 -3.710 0.954 8407TIP3 H231531 -3.312 -3.836 0.887 8408TIP3 OH231532 -3.330 -4.174 0.059 8408TIP3 H131533 -3.364 -4.099 0.111 8408TIP3 H231534 -3.275 -4.128 -0.008 8409TIP3 OH231535 -3.647 -2.715 -0.243 8409TIP3 H131536 -3.652 -2.633 -0.297 8409TIP3 H231537 -3.657 -2.681 -0.153 8410TIP3 OH231538 -3.775 -4.050 -0.289 8410TIP3 H131539 -3.772 -3.968 -0.238 8410TIP3 H231540 -3.688 -4.088 -0.267 8411TIP3 OH231541 -2.735 -3.963 0.956 8411TIP3 H131542 -2.830 -3.952 0.938 8411TIP3 H231543 -2.705 -3.987 0.867 8412TIP3 OH231544 -2.889 -3.574 0.364 8412TIP3 H131545 -2.970 -3.621 0.336 8412TIP3 H231546 -2.839 -3.646 0.410 8413TIP3 OH231547 -3.931 -2.957 -0.390 8413TIP3 H131548 -3.855 -2.915 -0.348 8413TIP3 H231549 -3.885 -3.013 -0.454 8414TIP3 OH231550 -4.112 -3.746 -0.476 8414TIP3 H131551 -4.106 -3.651 -0.454 8414TIP3 H231552 -4.196 -3.754 -0.522 8415TIP3 OH231553 -2.788 -2.688 0.503 8415TIP3 H131554 -2.804 -2.607 0.451 8415TIP3 H231555 -2.694 -2.675 0.525 8416TIP3 OH231556 -4.076 -4.236 0.421 8416TIP3 H131557 -4.060 -4.256 0.327 8416TIP3 H231558 -4.110 -4.322 0.451 8417TIP3 OH231559 -4.135 -2.877 0.029 8417TIP3 H131560 -4.227 -2.848 0.032 8417TIP3 H231561 -4.105 -2.841 -0.056 8418TIP3 OH231562 -4.214 -2.605 1.148 8418TIP3 H131563 -4.151 -2.604 1.222 8418TIP3 H231564 -4.214 -2.701 1.133 8419TIP3 OH231565 -3.727 -2.692 1.321 8419TIP3 H131566 -3.657 -2.756 1.342 8419TIP3 H231567 -3.750 -2.718 1.231 8420TIP3 OH231568 -3.323 -2.766 -0.527 8420TIP3 H131569 -3.397 -2.829 -0.538 8420TIP3 H231570 -3.250 -2.818 -0.565 8421TIP3 OH231571 -3.082 -2.863 1.181 8421TIP3 H131572 -3.118 -2.947 1.216 8421TIP3 H231573 -3.011 -2.842 1.243 8422TIP3 OH231574 -2.861 -2.775 -0.517 8422TIP3 H131575 -2.842 -2.854 -0.464 8422TIP3 H231576 -2.782 -2.770 -0.574 8423TIP3 OH231577 -4.200 -3.200 1.210 8423TIP3 H131578 -4.189 -3.289 1.173 8423TIP3 H231579 -4.287 -3.174 1.176 8424TIP3 OH231580 -3.782 -3.195 -0.545 8424TIP3 H131581 -3.762 -3.252 -0.468 8424TIP3 H231582 -3.695 -3.195 -0.590 8425TIP3 OH231583 -3.540 -3.216 1.190 8425TIP3 H131584 -3.568 -3.183 1.103 8425TIP3 H231585 -3.531 -3.312 1.174 8426TIP3 OH231586 -3.261 -3.062 -0.582 8426TIP3 H131587 -3.259 -3.065 -0.485 8426TIP3 H231588 -3.262 -3.158 -0.602 8427TIP3 OH231589 -3.002 -3.253 0.928 8427TIP3 H131590 -2.922 -3.201 0.907 8427TIP3 H231591 -3.070 -3.184 0.925 8428TIP3 OH231592 -4.135 -3.532 1.188 8428TIP3 H131593 -4.053 -3.584 1.175 8428TIP3 H231594 -4.122 -3.498 1.278 8429TIP3 OH231595 -3.675 -3.383 -0.312 8429TIP3 H131596 -3.733 -3.436 -0.254 8429TIP3 H231597 -3.642 -3.451 -0.374 8430TIP3 OH231598 -3.751 -3.608 0.915 8430TIP3 H131599 -3.805 -3.529 0.933 8430TIP3 H231600 -3.684 -3.574 0.854 8431TIP3 OH231601 -3.576 -3.583 -0.484 8431TIP3 H131602 -3.579 -3.575 -0.582 8431TIP3 H231603 -3.480 -3.588 -0.468 8432TIP3 OH231604 -3.219 -3.337 1.271 8432TIP3 H131605 -3.129 -3.356 1.239 8432TIP3 H231606 -3.243 -3.422 1.311 8433TIP3 OH231607 -2.626 -3.333 -0.552 8433TIP3 H131608 -2.634 -3.373 -0.639 8433TIP3 H231609 -2.633 -3.238 -0.575 8434TIP3 OH231610 -3.694 -3.881 1.026 8434TIP3 H131611 -3.682 -3.944 0.953 8434TIP3 H231612 -3.711 -3.798 0.978 8435TIP3 OH231613 -3.651 -4.038 0.768 8435TIP3 H131614 -3.599 -3.981 0.708 8435TIP3 H231615 -3.743 -4.026 0.735 8436TIP3 OH231616 -3.502 -3.488 0.815 8436TIP3 H131617 -3.418 -3.496 0.767 8436TIP3 H231618 -3.532 -3.400 0.784 8437TIP3 OH231619 -3.045 -3.693 1.293 8437TIP3 H131620 -3.023 -3.787 1.307 8437TIP3 H231621 -2.956 -3.654 1.287 8438TIP3 OH231622 -2.948 -3.415 1.142 8438TIP3 H131623 -2.982 -3.353 1.073 8438TIP3 H231624 -2.858 -3.430 1.107 8439TIP3 OH231625 -3.881 -3.691 1.207 8439TIP3 H131626 -3.928 -3.777 1.206 8439TIP3 H231627 -3.797 -3.716 1.164 8440TIP3 OH231628 -3.607 -4.277 0.893 8440TIP3 H131629 -3.591 -4.188 0.856 8440TIP3 H231630 -3.699 -4.287 0.866 8441TIP3 OH231631 -3.457 -3.844 1.186 8441TIP3 H131632 -3.488 -3.871 1.274 8441TIP3 H231633 -3.538 -3.863 1.134 8442TIP3 OH231634 -3.197 -3.944 1.085 8442TIP3 H131635 -3.286 -3.931 1.122 8442TIP3 H231636 -3.159 -4.010 1.146 8443TIP3 OH231637 -3.032 -4.135 1.251 8443TIP3 H131638 -3.034 -4.223 1.291 8443TIP3 H231639 -3.038 -4.076 1.328 8444TIP3 OH231640 -4.002 -3.952 1.194 8444TIP3 H131641 -4.023 -4.018 1.126 8444TIP3 H231642 -4.040 -3.993 1.274 8445TIP3 OH231643 -3.495 -4.148 1.298 8445TIP3 H131644 -3.517 -4.229 1.249 8445TIP3 H231645 -3.579 -4.099 1.300 8446TIP3 OH231646 -3.600 -2.457 -0.374 8446TIP3 H131647 -3.504 -2.450 -0.362 8446TIP3 H231648 -3.611 -2.418 -0.461 8447TIP3 OH231649 -4.199 -2.970 -0.466 8447TIP3 H131650 -4.122 -2.975 -0.407 8447TIP3 H231651 -4.217 -3.062 -0.486 8448TIP3 OH231652 -4.275 -2.690 0.248 8448TIP3 H131653 -4.276 -2.780 0.284 8448TIP3 H231654 -4.241 -2.642 0.325 8449TIP3 OH231655 -2.518 -2.575 0.553 8449TIP3 H131656 -2.497 -2.571 0.647 8449TIP3 H231657 -2.435 -2.541 0.515 8450TIP3 OH231658 -2.530 -2.628 0.843 8450TIP3 H131659 -2.575 -2.704 0.802 8450TIP3 H231660 -2.467 -2.673 0.901 8451TIP3 OH231661 -2.726 -3.086 1.270 8451TIP3 H131662 -2.815 -3.077 1.309 8451TIP3 H231663 -2.681 -3.004 1.298 8452TIP3 OH231664 -2.587 -3.194 -0.158 8452TIP3 H131665 -2.497 -3.160 -0.144 8452TIP3 H231666 -2.592 -3.257 -0.084 8453TIP3 OH231667 -2.536 -3.400 0.043 8453TIP3 H131668 -2.605 -3.455 0.084 8453TIP3 H231669 -2.469 -3.390 0.114 8454TIP3 OH231670 -2.568 -3.150 0.536 8454TIP3 H131671 -2.503 -3.199 0.483 8454TIP3 H231672 -2.552 -3.059 0.508 8455TIP3 OH231673 -2.696 -2.859 0.763 8455TIP3 H131674 -2.769 -2.817 0.811 8455TIP3 H231675 -2.741 -2.894 0.683 8456TIP3 OH231676 -2.517 -3.456 -0.301 8456TIP3 H131677 -2.566 -3.425 -0.380 8456TIP3 H231678 -2.526 -3.379 -0.243 8457TIP3 OH231679 -2.689 -3.698 -0.477 8457TIP3 H131680 -2.660 -3.637 -0.546 8457TIP3 H231681 -2.711 -3.778 -0.528 8458TIP3 OH231682 -2.749 -3.583 0.120 8458TIP3 H131683 -2.753 -3.678 0.104 8458TIP3 H231684 -2.784 -3.575 0.211 8459TIP3 OH231685 -4.256 -3.335 0.519 8459TIP3 H131686 -4.222 -3.313 0.431 8459TIP3 H231687 -4.176 -3.377 0.558 8460TIP3 OH231688 -2.684 -3.394 1.044 8460TIP3 H131689 -2.608 -3.455 1.047 8460TIP3 H231690 -2.642 -3.312 1.015 8461TIP3 OH231691 -2.522 -3.594 1.158 8461TIP3 H131692 -2.606 -3.637 1.134 8461TIP3 H231693 -2.460 -3.670 1.149 8462TIP3 OH231694 -2.745 -3.970 -0.561 8462TIP3 H131695 -2.685 -4.012 -0.496 8462TIP3 H231696 -2.828 -4.019 -0.549 8463TIP3 OH231697 -2.764 -3.827 -0.059 8463TIP3 H131698 -2.746 -3.924 -0.054 8463TIP3 H231699 -2.682 -3.796 -0.101 8464TIP3 OH231700 -2.738 -3.774 0.480 8464TIP3 H131701 -2.640 -3.764 0.475 8464TIP3 H231702 -2.749 -3.776 0.577 8465TIP3 OH231703 -2.723 -3.708 0.767 8465TIP3 H131704 -2.806 -3.662 0.790 8465TIP3 H231705 -2.664 -3.633 0.745 8466TIP3 OH231706 -4.282 -3.838 1.145 8466TIP3 H131707 -4.200 -3.880 1.116 8466TIP3 H231708 -4.347 -3.910 1.145 8467TIP3 OH231709 -2.462 -4.294 1.315 8467TIP3 H131710 -2.403 -4.363 1.280 8467TIP3 H231711 -2.476 -4.232 1.241 8468TIP3 OH231712 -2.734 -4.098 -0.052 8468TIP3 H131713 -2.709 -4.148 0.028 8468TIP3 H231714 -2.796 -4.160 -0.094 8469TIP3 OH231715 -4.194 -3.989 0.437 8469TIP3 H131716 -4.160 -4.081 0.443 8469TIP3 H231717 -4.114 -3.938 0.457 8470TIP3 OH231718 -4.333 -3.727 0.527 8470TIP3 H131719 -4.294 -3.779 0.455 8470TIP3 H231720 -4.313 -3.637 0.498 8471TIP3 OH231721 -2.535 -4.102 1.128 8471TIP3 H131722 -2.623 -4.061 1.123 8471TIP3 H231723 -2.529 -4.140 1.040 8472TIP3 OH231724 -2.521 -4.058 -0.391 8472TIP3 H131725 -2.501 -4.142 -0.436 8472TIP3 H231726 -2.435 -4.014 -0.388 8473TIP3 OH231727 -4.316 -4.108 -0.116 8473TIP3 H131728 -4.398 -4.079 -0.157 8473TIP3 H231729 -4.254 -4.040 -0.152 8474TIP3 OH231730 -2.828 -2.568 0.133 8474TIP3 H131731 -2.781 -2.592 0.051 8474TIP3 H231732 -2.757 -2.527 0.184 8475TIP3 OH231733 -4.292 -4.164 0.719 8475TIP3 H131734 -4.350 -4.225 0.769 8475TIP3 H231735 -4.328 -4.167 0.630 8476TIP3 OH231736 -4.120 -2.861 1.182 8476TIP3 H131737 -4.168 -2.926 1.130 8476TIP3 H231738 -4.134 -2.896 1.273 8477TIP3 OH231739 -3.802 -2.796 0.774 8477TIP3 H131740 -3.832 -2.713 0.734 8477TIP3 H231741 -3.706 -2.788 0.756 8478TIP3 OH231742 -3.353 -2.667 1.073 8478TIP3 H131743 -3.335 -2.684 1.167 8478TIP3 H231744 -3.270 -2.622 1.046 8479TIP3 OH231745 -3.125 -2.523 0.997 8479TIP3 H131746 -3.054 -2.584 0.972 8479TIP3 H231747 -3.092 -2.490 1.083 8480TIP3 OH231748 -2.677 -4.282 0.919 8480TIP3 H131749 -2.710 -4.210 0.863 8480TIP3 H231750 -2.663 -4.351 0.852 8481TIP3 OH231751 -4.070 -2.492 0.798 8481TIP3 H131752 -4.137 -2.441 0.749 8481TIP3 H231753 -4.102 -2.485 0.888 8482TIP3 OH231754 -3.819 -2.526 0.661 8482TIP3 H131755 -3.905 -2.506 0.702 8482TIP3 H231756 -3.813 -2.458 0.591 8483TIP3 OH231757 -3.343 -2.526 0.617 8483TIP3 H131758 -3.377 -2.480 0.538 8483TIP3 H231759 -3.331 -2.451 0.678 8484TIP3 OH231760 -3.109 -2.655 0.709 8484TIP3 H131761 -3.192 -2.617 0.675 8484TIP3 H231762 -3.049 -2.578 0.705 8485TIP3 OH231763 -2.859 -2.482 0.725 8485TIP3 H131764 -2.859 -2.386 0.705 8485TIP3 H231765 -2.826 -2.517 0.641 8486TIP3 OH231766 -4.124 -2.615 0.495 8486TIP3 H131767 -4.133 -2.662 0.581 8486TIP3 H231768 -4.049 -2.664 0.456 8487TIP3 OH231769 -3.911 -2.743 0.347 8487TIP3 H131770 -3.926 -2.836 0.372 8487TIP3 H231771 -3.819 -2.728 0.378 8488TIP3 OH231772 -3.632 -2.702 0.432 8488TIP3 H131773 -3.612 -2.794 0.409 8488TIP3 H231774 -3.622 -2.705 0.528 8489TIP3 OH231775 -3.300 -4.112 0.361 8489TIP3 H131776 -3.362 -4.182 0.389 8489TIP3 H231777 -3.240 -4.161 0.303 8490TIP3 OH231778 -2.772 -4.334 0.404 8490TIP3 H131779 -2.712 -4.288 0.342 8490TIP3 H231780 -2.859 -4.304 0.375 8491TIP3 OH231781 -2.575 -4.227 0.188 8491TIP3 H131782 -2.522 -4.242 0.109 8491TIP3 H231783 -2.556 -4.132 0.205 8492TIP3 OH231784 -4.073 -4.281 0.095 8492TIP3 H131785 -4.160 -4.314 0.069 8492TIP3 H231786 -4.029 -4.361 0.125 8493TIP3 OH231787 -4.205 -4.300 -0.300 8493TIP3 H131788 -4.170 -4.233 -0.361 8493TIP3 H231789 -4.259 -4.246 -0.240 8494TIP3 OH231790 -3.614 -4.219 0.125 8494TIP3 H131791 -3.522 -4.234 0.098 8494TIP3 H231792 -3.635 -4.298 0.176 8495TIP3 OH231793 -3.060 -4.265 0.256 8495TIP3 H131794 -3.026 -4.261 0.166 8495TIP3 H231795 -3.072 -4.359 0.271 8496TIP3 OH231796 -2.950 -4.272 -0.148 8496TIP3 H131797 -3.024 -4.212 -0.167 8496TIP3 H231798 -2.991 -4.360 -0.152 8497TIP3 OH231799 -4.189 -2.692 -0.198 8497TIP3 H131800 -4.250 -2.711 -0.270 8497TIP3 H231801 -4.182 -2.595 -0.202 8498TIP3 OH231802 -4.008 -4.111 -0.444 8498TIP3 H131803 -3.943 -4.158 -0.498 8498TIP3 H231804 -3.951 -4.070 -0.377 8499TIP3 OH231805 -3.492 -4.059 -0.210 8499TIP3 H131806 -3.482 -4.143 -0.161 8499TIP3 H231807 -3.470 -3.991 -0.143 8500TIP3 OH231808 -3.296 -2.513 -0.366 8500TIP3 H131809 -3.198 -2.511 -0.370 8500TIP3 H231810 -3.314 -2.580 -0.435 8501TIP3 OH231811 -2.648 -2.609 -0.103 8501TIP3 H131812 -2.665 -2.692 -0.150 8501TIP3 H231813 -2.638 -2.547 -0.177 8502TIP3 OH231814 -4.110 -4.176 1.039 8502TIP3 H131815 -4.159 -4.245 1.088 8502TIP3 H231816 -4.027 -4.224 1.024 8503TIP3 OH231817 -3.808 -4.277 1.299 8503TIP3 H131818 -3.722 -4.303 1.259 8503TIP3 H231819 -3.828 -4.355 1.352 8504TIP3 OH231820 -4.012 -2.592 -0.500 8504TIP3 H131821 -4.039 -2.576 -0.409 8504TIP3 H231822 -3.941 -2.658 -0.488 8505TIP3 OH231823 -2.697 -2.735 1.133 8505TIP3 H131824 -2.768 -2.752 1.069 8505TIP3 H231825 -2.710 -2.640 1.149 8506TIP3 OH231826 -1.276 -3.367 0.144 8506TIP3 H131827 -1.274 -3.270 0.154 8506TIP3 H231828 -1.352 -3.378 0.086 8507TIP3 OH231829 -1.383 -3.424 0.450 8507TIP3 H131830 -1.395 -3.478 0.530 8507TIP3 H231831 -1.417 -3.483 0.380 8508TIP3 OH231832 -2.155 -3.474 0.643 8508TIP3 H131833 -2.132 -3.561 0.680 8508TIP3 H231834 -2.068 -3.432 0.642 8509TIP3 OH231835 -1.018 -3.152 0.281 8509TIP3 H131836 -1.059 -3.217 0.339 8509TIP3 H231837 -0.995 -3.082 0.344 8510TIP3 OH231838 -2.076 -3.005 0.472 8510TIP3 H131839 -2.097 -3.097 0.449 8510TIP3 H231840 -1.980 -3.012 0.486 8511TIP3 OH231841 -2.382 -3.665 0.007 8511TIP3 H131842 -2.415 -3.575 0.018 8511TIP3 H231843 -2.456 -3.707 -0.040 8512TIP3 OH231844 -2.290 -3.433 0.208 8512TIP3 H131845 -2.267 -3.514 0.257 8512TIP3 H231846 -2.209 -3.418 0.156 8513TIP3 OH231847 -1.324 -2.624 0.336 8513TIP3 H131848 -1.250 -2.682 0.310 8513TIP3 H231849 -1.339 -2.650 0.428 8514TIP3 OH231850 -1.541 -3.172 0.509 8514TIP3 H131851 -1.508 -3.239 0.448 8514TIP3 H231852 -1.458 -3.155 0.558 8515TIP3 OH231853 -0.685 -4.018 0.565 8515TIP3 H131854 -0.652 -3.972 0.643 8515TIP3 H231855 -0.621 -3.989 0.498 8516TIP3 OH231856 -1.214 -3.740 0.562 8516TIP3 H131857 -1.192 -3.835 0.559 8516TIP3 H231858 -1.219 -3.719 0.468 8517TIP3 OH231859 -1.907 -3.944 0.286 8517TIP3 H131860 -1.915 -3.849 0.268 8517TIP3 H231861 -1.960 -3.982 0.214 8518TIP3 OH231862 -1.125 -3.923 0.102 8518TIP3 H131863 -1.063 -3.964 0.165 8518TIP3 H231864 -1.065 -3.876 0.043 8519TIP3 OH231865 -2.208 -3.681 0.340 8519TIP3 H131866 -2.148 -3.731 0.397 8519TIP3 H231867 -2.205 -3.733 0.258 8520TIP3 OH231868 -1.711 -3.524 0.265 8520TIP3 H131869 -1.640 -3.578 0.304 8520TIP3 H231870 -1.760 -3.590 0.214 8521TIP3 OH231871 -0.590 -3.847 0.831 8521TIP3 H131872 -0.664 -3.795 0.795 8521TIP3 H231873 -0.631 -3.890 0.907 8522TIP3 OH231874 -1.289 -3.086 0.023 8522TIP3 H131875 -1.310 -3.098 -0.070 8522TIP3 H231876 -1.328 -2.999 0.042 8523TIP3 OH231877 -1.738 -3.272 0.696 8523TIP3 H131878 -1.813 -3.212 0.716 8523TIP3 H231879 -1.678 -3.213 0.646 8524TIP3 OH231880 -0.937 -4.016 0.306 8524TIP3 H131881 -0.988 -4.057 0.377 8524TIP3 H231882 -0.885 -3.951 0.355 8525TIP3 OH231883 -1.943 -3.083 0.773 8525TIP3 H131884 -1.943 -2.994 0.733 8525TIP3 H231885 -2.030 -3.082 0.816 8526TIP3 OH231886 -2.314 -3.111 -0.144 8526TIP3 H131887 -2.327 -3.061 -0.226 8526TIP3 H231888 -2.293 -3.041 -0.078 8527TIP3 OH231889 -0.966 -2.966 0.534 8527TIP3 H131890 -1.062 -2.953 0.533 8527TIP3 H231891 -0.936 -2.882 0.495 8528TIP3 OH231892 -0.923 -4.111 0.705 8528TIP3 H131893 -1.003 -4.077 0.661 8528TIP3 H231894 -0.855 -4.096 0.636 8529TIP3 OH231895 -1.633 4.383 0.401 8529TIP3 H131896 -1.627 4.291 0.429 8529TIP3 H231897 -1.708 4.420 0.450 8530TIP3 OH231898 -1.116 -2.772 0.204 8530TIP3 H131899 -1.083 -2.845 0.149 8530TIP3 H231900 -1.102 -2.695 0.148 8531TIP3 OH231901 -0.986 -2.978 0.040 8531TIP3 H131902 -1.030 -3.028 -0.030 8531TIP3 H231903 -0.988 -3.041 0.114 8532TIP3 OH231904 -0.835 -3.106 0.901 8532TIP3 H131905 -0.846 -3.167 0.826 8532TIP3 H231906 -0.826 -3.020 0.855 8533TIP3 OH231907 -1.413 -3.417 -0.132 8533TIP3 H131908 -1.477 -3.351 -0.166 8533TIP3 H231909 -1.339 -3.406 -0.193 8534TIP3 OH231910 -1.380 -3.598 -0.424 8534TIP3 H131911 -1.313 -3.565 -0.362 8534TIP3 H231912 -1.325 -3.652 -0.483 8535TIP3 OH231913 -0.661 -3.488 0.695 8535TIP3 H131914 -0.733 -3.422 0.701 8535TIP3 H231915 -0.612 -3.454 0.617 8536TIP3 OH231916 -1.060 -3.418 -0.022 8536TIP3 H131917 -1.127 -3.391 0.045 8536TIP3 H231918 -0.998 -3.470 0.032 8537TIP3 OH231919 -1.078 -3.562 0.861 8537TIP3 H131920 -1.069 -3.480 0.913 8537TIP3 H231921 -1.140 -3.530 0.793 8538TIP3 OH231922 -1.905 -3.340 0.160 8538TIP3 H131923 -1.932 -3.381 0.075 8538TIP3 H231924 -1.834 -3.400 0.189 8539TIP3 OH231925 -1.768 -3.004 0.432 8539TIP3 H131926 -1.773 -3.033 0.340 8539TIP3 H231927 -1.684 -3.044 0.462 8540TIP3 OH231928 -1.850 -3.480 0.514 8540TIP3 H131929 -1.794 -3.474 0.435 8540TIP3 H231930 -1.809 -3.417 0.575 8541TIP3 OH231931 -1.247 -2.905 0.563 8541TIP3 H131932 -1.244 -2.835 0.629 8541TIP3 H231933 -1.267 -2.986 0.614 8542TIP3 OH231934 -1.758 -3.028 0.994 8542TIP3 H131935 -1.809 -2.956 1.034 8542TIP3 H231936 -1.817 -3.054 0.920 8543TIP3 OH231937 -1.161 -3.474 -0.276 8543TIP3 H131938 -1.116 -3.442 -0.194 8543TIP3 H231939 -1.113 -3.420 -0.344 8544TIP3 OH231940 -2.040 -3.417 0.916 8544TIP3 H131941 -2.042 -3.347 0.982 8544TIP3 H231942 -2.130 -3.414 0.881 8545TIP3 OH231943 -1.420 -2.814 0.088 8545TIP3 H131944 -1.366 -2.773 0.157 8545TIP3 H231945 -1.454 -2.737 0.041 8546TIP3 OH231946 -1.944 -2.807 1.072 8546TIP3 H131947 -1.952 -2.797 0.975 8546TIP3 H231948 -2.034 -2.833 1.098 8547TIP3 OH231949 -0.844 -4.323 -0.355 8547TIP3 H131950 -0.885 -4.323 -0.267 8547TIP3 H231951 -0.766 -4.268 -0.337 8548TIP3 OH231952 -2.006 -3.463 -0.091 8548TIP3 H131953 -2.026 -3.387 -0.148 8548TIP3 H231954 -2.073 -3.527 -0.120 8549TIP3 OH231955 -0.685 -2.844 -0.456 8549TIP3 H131956 -0.663 -2.753 -0.435 8549TIP3 H231957 -0.604 -2.892 -0.431 8550TIP3 OH231958 -2.403 -3.195 0.783 8550TIP3 H131959 -2.443 -3.196 0.694 8550TIP3 H231960 -2.387 -3.290 0.798 8551TIP3 OH231961 -2.396 -2.906 0.476 8551TIP3 H131962 -2.303 -2.931 0.479 8551TIP3 H231963 -2.399 -2.840 0.548 8552TIP3 OH231964 -0.557 -2.842 1.056 8552TIP3 H131965 -0.569 -2.935 1.033 8552TIP3 H231966 -0.649 -2.817 1.081 8553TIP3 OH231967 -1.491 -2.922 0.935 8553TIP3 H131968 -1.485 -2.837 0.983 8553TIP3 H231969 -1.583 -2.948 0.953 8554TIP3 OH231970 -2.074 -2.631 0.088 8554TIP3 H131971 -2.066 -2.667 0.178 8554TIP3 H231972 -2.165 -2.654 0.065 8555TIP3 OH231973 -0.879 -3.710 1.093 8555TIP3 H131974 -0.927 -3.667 1.020 8555TIP3 H231975 -0.871 -3.801 1.060 8556TIP3 OH231976 -2.184 -3.040 0.909 8556TIP3 H131977 -2.154 -3.092 0.986 8556TIP3 H231978 -2.256 -3.094 0.873 8557TIP3 OH231979 -1.876 -4.194 0.532 8557TIP3 H131980 -1.952 -4.218 0.478 8557TIP3 H231981 -1.896 -4.100 0.548 8558TIP3 OH231982 -1.406 -4.264 0.854 8558TIP3 H131983 -1.390 -4.310 0.937 8558TIP3 H231984 -1.502 -4.275 0.844 8559TIP3 OH231985 -1.110 -3.865 0.897 8559TIP3 H131986 -1.166 -3.873 0.976 8559TIP3 H231987 -1.112 -3.770 0.877 8560TIP3 OH231988 -1.013 -3.364 -0.479 8560TIP3 H131989 -1.026 -3.380 -0.574 8560TIP3 H231990 -0.921 -3.331 -0.479 8561TIP3 OH231991 -1.442 -3.995 -0.431 8561TIP3 H131992 -1.498 -4.003 -0.350 8561TIP3 H231993 -1.493 -4.055 -0.490 8562TIP3 OH231994 -1.881 -3.704 0.112 8562TIP3 H131995 -1.976 -3.718 0.099 8562TIP3 H231996 -1.846 -3.730 0.025 8563TIP3 OH231997 -1.323 -3.653 -0.013 8563TIP3 H131998 -1.363 -3.569 -0.044 8563TIP3 H231999 -1.254 -3.666 -0.080 8564TIP3 OH232000 -1.408 -3.630 1.128 8564TIP3 H132001 -1.456 -3.709 1.157 8564TIP3 H232002 -1.319 -3.644 1.166 8565TIP3 OH232003 -1.234 -3.712 0.268 8565TIP3 H132004 -1.265 -3.652 0.197 8565TIP3 H232005 -1.214 -3.791 0.214 8566TIP3 OH232006 -1.804 -3.947 -0.535 8566TIP3 H132007 -1.840 -3.980 -0.451 8566TIP3 H232008 -1.883 -3.926 -0.586 8567TIP3 OH232009 -2.460 -3.969 0.177 8567TIP3 H132010 -2.398 -3.949 0.249 8567TIP3 H232011 -2.402 -3.989 0.103 8568TIP3 OH232012 -2.301 -3.912 -0.258 8568TIP3 H132013 -2.246 -3.861 -0.321 8568TIP3 H232014 -2.371 -3.846 -0.240 8569TIP3 OH232015 -1.334 -3.543 0.714 8569TIP3 H132016 -1.286 -3.613 0.663 8569TIP3 H232017 -1.360 -3.591 0.794 8570TIP3 OH232018 -1.628 -3.953 0.213 8570TIP3 H132019 -1.722 -3.950 0.241 8570TIP3 H232020 -1.583 -3.965 0.299 8571TIP3 OH232021 -2.151 -3.826 0.084 8571TIP3 H132022 -2.230 -3.794 0.037 8571TIP3 H232023 -2.122 -3.904 0.033 8572TIP3 OH232024 -1.785 -3.795 -0.152 8572TIP3 H132025 -1.689 -3.782 -0.146 8572TIP3 H232026 -1.811 -3.733 -0.222 8573TIP3 OH232027 -1.171 -4.035 0.515 8573TIP3 H132028 -1.235 -4.035 0.589 8573TIP3 H232029 -1.229 -4.062 0.442 8574TIP3 OH232030 -1.939 -3.674 -0.374 8574TIP3 H132031 -1.996 -3.695 -0.450 8574TIP3 H232032 -1.858 -3.647 -0.420 8575TIP3 OH232033 -0.862 -2.460 1.181 8575TIP3 H132034 -0.848 -2.409 1.099 8575TIP3 H232035 -0.794 -2.422 1.239 8576TIP3 OH232036 -2.072 -3.198 1.123 8576TIP3 H132037 -2.006 -3.183 1.193 8576TIP3 H232038 -2.154 -3.197 1.176 8577TIP3 OH232039 -1.504 -3.697 0.395 8577TIP3 H132040 -1.427 -3.740 0.355 8577TIP3 H232041 -1.525 -3.756 0.469 8578TIP3 OH232042 -1.988 -4.061 0.022 8578TIP3 H132043 -2.028 -4.148 0.034 8578TIP3 H232044 -1.902 -4.083 -0.016 8579TIP3 OH232045 -1.641 -3.837 0.634 8579TIP3 H132046 -1.719 -3.780 0.628 8579TIP3 H232047 -1.591 -3.799 0.710 8580TIP3 OH232048 -1.593 -3.209 -0.190 8580TIP3 H132049 -1.671 -3.257 -0.225 8580TIP3 H232050 -1.612 -3.203 -0.094 8581TIP3 OH232051 -0.870 -3.295 0.684 8581TIP3 H132052 -0.820 -3.239 0.621 8581TIP3 H232053 -0.955 -3.305 0.638 8582TIP3 OH232054 -1.174 -3.932 -0.427 8582TIP3 H132055 -1.273 -3.937 -0.425 8582TIP3 H232056 -1.155 -3.862 -0.361 8583TIP3 OH232057 -1.432 -3.211 0.945 8583TIP3 H132058 -1.457 -3.234 1.036 8583TIP3 H232059 -1.456 -3.118 0.939 8584TIP3 OH232060 -1.110 -3.750 -0.214 8584TIP3 H132061 -1.023 -3.761 -0.170 8584TIP3 H232062 -1.103 -3.658 -0.249 8585TIP3 OH232063 -2.068 -3.287 0.403 8585TIP3 H132064 -2.017 -3.288 0.320 8585TIP3 H232065 -2.056 -3.378 0.433 8586TIP3 OH232066 -1.352 -3.070 -0.293 8586TIP3 H132067 -1.377 -2.980 -0.263 8586TIP3 H232068 -1.431 -3.121 -0.268 8587TIP3 OH232069 -2.363 -3.441 0.927 8587TIP3 H132070 -2.337 -3.497 1.002 8587TIP3 H232071 -2.411 -3.502 0.869 8588TIP3 OH232072 -1.695 -3.541 1.086 8588TIP3 H132073 -1.692 -3.514 0.991 8588TIP3 H232074 -1.599 -3.536 1.103 8589TIP3 OH232075 -1.203 -2.963 0.896 8589TIP3 H132076 -1.297 -2.941 0.883 8589TIP3 H232077 -1.184 -2.921 0.981 8590TIP3 OH232078 -0.648 -3.745 -0.233 8590TIP3 H132079 -0.705 -3.762 -0.310 8590TIP3 H232080 -0.637 -3.648 -0.245 8591TIP3 OH232081 -0.604 -3.144 1.048 8591TIP3 H132082 -0.697 -3.119 1.028 8591TIP3 H232083 -0.569 -3.158 0.957 8592TIP3 OH232084 -1.106 -3.353 0.519 8592TIP3 H132085 -1.198 -3.365 0.490 8592TIP3 H232086 -1.061 -3.421 0.465 8593TIP3 OH232087 -1.841 -2.937 0.120 8593TIP3 H132088 -1.793 -2.854 0.104 8593TIP3 H232089 -1.930 -2.913 0.090 8594TIP3 OH232090 -2.241 -3.463 -0.419 8594TIP3 H132091 -2.182 -3.395 -0.380 8594TIP3 H232092 -2.328 -3.432 -0.389 8595TIP3 OH232093 -1.659 -3.174 0.081 8595TIP3 H132094 -1.681 -3.081 0.095 8595TIP3 H232095 -1.732 -3.219 0.126 8596TIP3 OH232096 -1.640 -2.747 0.718 8596TIP3 H132097 -1.589 -2.671 0.683 8596TIP3 H232098 -1.572 -2.793 0.769 8597TIP3 OH232099 -1.793 -2.643 0.032 8597TIP3 H132100 -1.889 -2.628 0.042 8597TIP3 H232101 -1.755 -2.565 0.075 8598TIP3 OH232102 -1.299 -3.173 0.673 8598TIP3 H132103 -1.327 -3.200 0.762 8598TIP3 H232104 -1.225 -3.233 0.654 8599TIP3 OH232105 -1.082 -3.025 -0.440 8599TIP3 H132106 -1.035 -3.068 -0.367 8599TIP3 H232107 -1.173 -3.040 -0.410 8600TIP3 OH232108 -1.006 -2.715 0.911 8600TIP3 H132109 -1.081 -2.754 0.864 8600TIP3 H232110 -0.991 -2.634 0.859 8601TIP3 OH232111 -0.989 -3.179 -0.201 8601TIP3 H132112 -1.008 -3.250 -0.138 8601TIP3 H232113 -0.893 -3.168 -0.193 8602TIP3 OH232114 -2.249 -2.802 0.722 8602TIP3 H132115 -2.213 -2.891 0.736 8602TIP3 H232116 -2.219 -2.758 0.803 8603TIP3 OH232117 -1.655 -2.930 -0.595 8603TIP3 H132118 -1.624 -3.017 -0.625 8603TIP3 H232119 -1.699 -2.951 -0.511 8604TIP3 OH232120 -1.779 -2.975 -0.295 8604TIP3 H132121 -1.719 -3.025 -0.238 8604TIP3 H232122 -1.753 -2.882 -0.276 8605TIP3 OH232123 -2.092 -3.242 -0.267 8605TIP3 H132124 -2.163 -3.201 -0.213 8605TIP3 H232125 -2.044 -3.162 -0.296 8606TIP3 OH232126 -1.334 -4.006 0.744 8606TIP3 H132127 -1.266 -3.981 0.809 8606TIP3 H232128 -1.367 -4.091 0.777 8607TIP3 OH232129 -1.248 -4.058 -0.141 8607TIP3 H132130 -1.245 -3.998 -0.217 8607TIP3 H232131 -1.215 -4.001 -0.070 8608TIP3 OH232132 -1.481 -2.813 -0.240 8608TIP3 H132133 -1.559 -2.755 -0.234 8608TIP3 H232134 -1.434 -2.771 -0.314 8609TIP3 OH232135 -1.514 -3.858 -0.037 8609TIP3 H132136 -1.445 -3.790 -0.025 8609TIP3 H232137 -1.551 -3.865 0.053 8610TIP3 OH232138 -1.496 -3.763 0.874 8610TIP3 H132139 -1.472 -3.709 0.951 8610TIP3 H232140 -1.429 -3.833 0.875 8611TIP3 OH232141 -1.449 -4.171 0.059 8611TIP3 H132142 -1.481 -4.095 0.110 8611TIP3 H232143 -1.392 -4.127 -0.007 8612TIP3 OH232144 -1.748 -2.691 -0.260 8612TIP3 H132145 -1.747 -2.606 -0.307 8612TIP3 H232146 -1.773 -2.663 -0.170 8613TIP3 OH232147 -1.893 -4.050 -0.286 8613TIP3 H132148 -1.888 -3.966 -0.237 8613TIP3 H232149 -1.805 -4.087 -0.265 8614TIP3 OH232150 -0.846 -3.963 0.953 8614TIP3 H132151 -0.943 -3.952 0.943 8614TIP3 H232152 -0.824 -3.988 0.862 8615TIP3 OH232153 -1.004 -3.574 0.364 8615TIP3 H132154 -1.086 -3.618 0.335 8615TIP3 H232155 -0.955 -3.646 0.409 8616TIP3 OH232156 -2.052 -2.967 -0.390 8616TIP3 H132157 -1.984 -2.909 -0.350 8616TIP3 H232158 -1.997 -3.011 -0.456 8617TIP3 OH232159 -2.235 -3.746 -0.479 8617TIP3 H132160 -2.219 -3.652 -0.457 8617TIP3 H232161 -2.321 -3.741 -0.521 8618TIP3 OH232162 -0.900 -2.685 0.506 8618TIP3 H132163 -0.919 -2.609 0.448 8618TIP3 H232164 -0.805 -2.669 0.523 8619TIP3 OH232165 -2.218 -4.248 0.410 8619TIP3 H132166 -2.177 -4.242 0.323 8619TIP3 H232167 -2.196 -4.337 0.438 8620TIP3 OH232168 -2.257 -2.891 0.022 8620TIP3 H132169 -2.328 -2.833 0.050 8620TIP3 H232170 -2.210 -2.834 -0.041 8621TIP3 OH232171 -2.311 -2.599 1.144 8621TIP3 H132172 -2.254 -2.627 1.218 8621TIP3 H232173 -2.349 -2.683 1.113 8622TIP3 OH232174 -1.814 -2.692 1.341 8622TIP3 H132175 -1.763 -2.775 1.337 8622TIP3 H232176 -1.855 -2.696 1.253 8623TIP3 OH232177 -1.425 -2.776 -0.508 8623TIP3 H132178 -1.505 -2.818 -0.546 8623TIP3 H232179 -1.358 -2.795 -0.575 8624TIP3 OH232180 -1.205 -2.853 1.190 8624TIP3 H132181 -1.237 -2.940 1.219 8624TIP3 H232182 -1.127 -2.839 1.246 8625TIP3 OH232183 -2.316 -3.236 1.256 8625TIP3 H132184 -2.304 -3.323 1.215 8625TIP3 H232185 -2.392 -3.203 1.204 8626TIP3 OH232186 -1.895 -3.195 -0.544 8626TIP3 H132187 -1.876 -3.252 -0.467 8626TIP3 H232188 -1.808 -3.191 -0.586 8627TIP3 OH232189 -1.660 -3.221 1.190 8627TIP3 H132190 -1.684 -3.180 1.105 8627TIP3 H232191 -1.648 -3.314 1.166 8628TIP3 OH232192 -1.369 -3.061 -0.591 8628TIP3 H132193 -1.376 -3.052 -0.494 8628TIP3 H232194 -1.375 -3.158 -0.601 8629TIP3 OH232195 -1.116 -3.252 0.929 8629TIP3 H132196 -1.037 -3.202 0.907 8629TIP3 H232197 -1.183 -3.182 0.924 8630TIP3 OH232198 -2.208 -3.526 1.173 8630TIP3 H132199 -2.198 -3.621 1.181 8630TIP3 H232200 -2.228 -3.500 1.264 8631TIP3 OH232201 -1.788 -3.385 -0.311 8631TIP3 H132202 -1.846 -3.437 -0.254 8631TIP3 H232203 -1.756 -3.454 -0.374 8632TIP3 OH232204 -1.692 -3.585 -0.485 8632TIP3 H132205 -1.695 -3.573 -0.581 8632TIP3 H232206 -1.595 -3.586 -0.469 8633TIP3 OH232207 -1.334 -3.337 1.273 8633TIP3 H132208 -1.245 -3.352 1.238 8633TIP3 H232209 -1.354 -3.424 1.310 8634TIP3 OH232210 -0.743 -3.328 -0.554 8634TIP3 H132211 -0.752 -3.362 -0.644 8634TIP3 H232212 -0.746 -3.232 -0.569 8635TIP3 OH232213 -1.773 -4.032 0.801 8635TIP3 H132214 -1.719 -3.977 0.741 8635TIP3 H232215 -1.863 -4.006 0.770 8636TIP3 OH232216 -1.620 -3.488 0.826 8636TIP3 H132217 -1.542 -3.499 0.770 8636TIP3 H232218 -1.661 -3.409 0.785 8637TIP3 OH232219 -1.161 -3.693 1.295 8637TIP3 H132220 -1.137 -3.786 1.304 8637TIP3 H232221 -1.074 -3.651 1.286 8638TIP3 OH232222 -1.062 -3.416 1.141 8638TIP3 H132223 -1.096 -3.353 1.073 8638TIP3 H232224 -0.971 -3.428 1.107 8639TIP3 OH232225 -1.696 -4.293 0.869 8639TIP3 H132226 -1.718 -4.198 0.853 8639TIP3 H232227 -1.773 -4.336 0.828 8640TIP3 OH232228 -1.593 -3.843 1.176 8640TIP3 H132229 -1.609 -3.871 1.268 8640TIP3 H232230 -1.651 -3.906 1.130 8641TIP3 OH232231 -1.311 -3.940 1.091 8641TIP3 H132232 -1.404 -3.936 1.120 8641TIP3 H232233 -1.275 -4.009 1.149 8642TIP3 OH232234 -1.143 -4.136 1.251 8642TIP3 H132235 -1.154 -4.224 1.290 8642TIP3 H232236 -1.154 -4.077 1.328 8643TIP3 OH232237 -2.075 -3.942 1.176 8643TIP3 H132238 -2.115 -4.008 1.116 8643TIP3 H232239 -2.125 -3.961 1.257 8644TIP3 OH232240 -1.614 -4.140 1.289 8644TIP3 H132241 -1.626 -4.228 1.249 8644TIP3 H232242 -1.705 -4.113 1.306 8645TIP3 OH232243 -2.324 -3.020 -0.422 8645TIP3 H132244 -2.228 -3.001 -0.406 8645TIP3 H232245 -2.320 -3.099 -0.479 8646TIP3 OH232246 -2.417 -2.499 0.057 8646TIP3 H132247 -2.488 -2.536 0.002 8646TIP3 H232248 -2.405 -2.568 0.125 8647TIP3 OH232249 -2.386 -2.701 0.252 8647TIP3 H132250 -2.413 -2.788 0.286 8647TIP3 H232251 -2.347 -2.663 0.333 8648TIP3 OH232252 -0.623 -2.592 0.553 8648TIP3 H132253 -0.619 -2.564 0.646 8648TIP3 H232254 -0.555 -2.534 0.516 8649TIP3 OH232255 -0.645 -2.626 0.848 8649TIP3 H132256 -0.689 -2.698 0.801 8649TIP3 H232257 -0.585 -2.675 0.906 8650TIP3 OH232258 -0.841 -3.085 1.272 8650TIP3 H132259 -0.930 -3.074 1.310 8650TIP3 H232260 -0.796 -3.003 1.296 8651TIP3 OH232261 -0.697 -3.207 -0.163 8651TIP3 H132262 -0.612 -3.162 -0.147 8651TIP3 H232263 -0.705 -3.261 -0.083 8652TIP3 OH232264 -0.653 -3.401 0.041 8652TIP3 H132265 -0.721 -3.457 0.085 8652TIP3 H232266 -0.586 -3.387 0.110 8653TIP3 OH232267 -0.681 -3.150 0.540 8653TIP3 H132268 -0.620 -3.195 0.480 8653TIP3 H232269 -0.672 -3.057 0.510 8654TIP3 OH232270 -0.811 -2.864 0.765 8654TIP3 H132271 -0.882 -2.814 0.809 8654TIP3 H232272 -0.855 -2.891 0.682 8655TIP3 OH232273 -0.630 -3.454 -0.303 8655TIP3 H132274 -0.680 -3.423 -0.381 8655TIP3 H232275 -0.644 -3.378 -0.243 8656TIP3 OH232276 -0.801 -3.701 -0.476 8656TIP3 H132277 -0.776 -3.635 -0.543 8656TIP3 H232278 -0.825 -3.778 -0.530 8657TIP3 OH232279 -0.858 -3.585 0.123 8657TIP3 H132280 -0.870 -3.680 0.104 8657TIP3 H232281 -0.899 -3.576 0.211 8658TIP3 OH232282 -2.373 -3.363 0.495 8658TIP3 H132283 -2.345 -3.363 0.401 8658TIP3 H232284 -2.289 -3.388 0.539 8659TIP3 OH232285 -0.801 -3.393 1.038 8659TIP3 H132286 -0.725 -3.452 1.052 8659TIP3 H232287 -0.759 -3.309 1.014 8660TIP3 OH232288 -0.645 -3.585 1.160 8660TIP3 H132289 -0.724 -3.637 1.135 8660TIP3 H232290 -0.575 -3.652 1.156 8661TIP3 OH232291 -0.859 -3.972 -0.563 8661TIP3 H132292 -0.800 -4.012 -0.496 8661TIP3 H232293 -0.942 -4.018 -0.548 8662TIP3 OH232294 -0.878 -3.827 -0.058 8662TIP3 H132295 -0.860 -3.924 -0.054 8662TIP3 H232296 -0.797 -3.795 -0.101 8663TIP3 OH232297 -0.853 -3.776 0.479 8663TIP3 H132298 -0.755 -3.767 0.476 8663TIP3 H232299 -0.866 -3.774 0.576 8664TIP3 OH232300 -0.838 -3.705 0.767 8664TIP3 H132301 -0.922 -3.661 0.790 8664TIP3 H232302 -0.782 -3.628 0.743 8665TIP3 OH232303 -2.377 -3.838 1.146 8665TIP3 H132304 -2.289 -3.869 1.122 8665TIP3 H232305 -2.429 -3.920 1.134 8666TIP3 OH232306 -0.621 -4.276 1.343 8666TIP3 H132307 -0.569 -4.355 1.320 8666TIP3 H232308 -0.619 -4.218 1.263 8667TIP3 OH232309 -0.847 -4.099 -0.052 8667TIP3 H132310 -0.824 -4.148 0.028 8667TIP3 H232311 -0.910 -4.160 -0.095 8668TIP3 OH232312 -2.280 -3.978 0.416 8668TIP3 H132313 -2.259 -4.073 0.424 8668TIP3 H232314 -2.220 -3.941 0.483 8669TIP3 OH232315 -2.458 -3.718 0.499 8669TIP3 H132316 -2.385 -3.740 0.440 8669TIP3 H232317 -2.415 -3.657 0.559 8670TIP3 OH232318 -0.642 -4.112 1.127 8670TIP3 H132319 -0.728 -4.064 1.133 8670TIP3 H232320 -0.650 -4.146 1.036 8671TIP3 OH232321 -0.636 -4.058 -0.391 8671TIP3 H132322 -0.615 -4.142 -0.436 8671TIP3 H232323 -0.551 -4.013 -0.387 8672TIP3 OH232324 -2.400 -4.106 -0.084 8672TIP3 H132325 -2.495 -4.092 -0.098 8672TIP3 H232326 -2.360 -4.034 -0.138 8673TIP3 OH232327 -0.857 -2.564 0.061 8673TIP3 H132328 -0.888 -2.654 0.059 8673TIP3 H232329 -0.894 -2.528 0.143 8674TIP3 OH232330 -2.459 -4.142 0.777 8674TIP3 H132331 -2.409 -4.221 0.803 8674TIP3 H232332 -2.434 -4.134 0.684 8675TIP3 OH232333 -2.201 -2.903 1.208 8675TIP3 H132334 -2.269 -2.900 1.140 8675TIP3 H232335 -2.253 -2.896 1.289 8676TIP3 OH232336 -1.917 -2.795 0.775 8676TIP3 H132337 -1.947 -2.711 0.735 8676TIP3 H232338 -1.822 -2.787 0.754 8677TIP3 OH232339 -1.468 -2.664 1.080 8677TIP3 H132340 -1.440 -2.687 1.170 8677TIP3 H232341 -1.385 -2.624 1.046 8678TIP3 OH232342 -1.237 -2.539 1.006 8678TIP3 H132343 -1.160 -2.591 0.978 8678TIP3 H232344 -1.202 -2.494 1.086 8679TIP3 OH232345 -0.780 -4.278 0.917 8679TIP3 H132346 -0.828 -4.213 0.862 8679TIP3 H232347 -0.763 -4.346 0.850 8680TIP3 OH232348 -2.183 -2.506 0.808 8680TIP3 H132349 -2.238 -2.441 0.760 8680TIP3 H232350 -2.213 -2.490 0.898 8681TIP3 OH232351 -1.933 -2.528 0.656 8681TIP3 H132352 -2.015 -2.502 0.701 8681TIP3 H232353 -1.924 -2.459 0.588 8682TIP3 OH232354 -1.466 -2.529 0.613 8682TIP3 H132355 -1.493 -2.480 0.532 8682TIP3 H232356 -1.452 -2.455 0.675 8683TIP3 OH232357 -1.226 -2.654 0.708 8683TIP3 H132358 -1.309 -2.616 0.674 8683TIP3 H232359 -1.168 -2.577 0.705 8684TIP3 OH232360 -0.969 -2.483 0.727 8684TIP3 H132361 -0.977 -2.388 0.707 8684TIP3 H232362 -0.942 -2.517 0.639 8685TIP3 OH232363 -2.225 -2.626 0.497 8685TIP3 H132364 -2.222 -2.671 0.584 8685TIP3 H232365 -2.145 -2.664 0.455 8686TIP3 OH232366 -2.022 -2.747 0.346 8686TIP3 H132367 -2.032 -2.841 0.370 8686TIP3 H232368 -1.929 -2.729 0.373 8687TIP3 OH232369 -1.754 -2.706 0.431 8687TIP3 H132370 -1.723 -2.796 0.411 8687TIP3 H232371 -1.738 -2.702 0.526 8688TIP3 OH232372 -1.414 -4.109 0.362 8688TIP3 H132373 -1.480 -4.176 0.386 8688TIP3 H232374 -1.357 -4.158 0.300 8689TIP3 OH232375 -0.888 -4.333 0.404 8689TIP3 H132376 -0.826 -4.289 0.343 8689TIP3 H232377 -0.973 -4.301 0.373 8690TIP3 OH232378 -0.691 -4.225 0.188 8690TIP3 H132379 -0.635 -4.244 0.112 8690TIP3 H232380 -0.672 -4.130 0.203 8691TIP3 OH232381 -2.179 -4.284 0.093 8691TIP3 H132382 -2.271 -4.296 0.067 8691TIP3 H232383 -2.153 -4.372 0.120 8692TIP3 OH232384 -2.321 -4.291 -0.283 8692TIP3 H132385 -2.274 -4.243 -0.354 8692TIP3 H232386 -2.356 -4.216 -0.231 8693TIP3 OH232387 -1.735 -4.261 0.119 8693TIP3 H132388 -1.646 -4.231 0.097 8693TIP3 H232389 -1.726 -4.283 0.212 8694TIP3 OH232390 -1.176 -4.265 0.255 8694TIP3 H132391 -1.140 -4.258 0.166 8694TIP3 H232392 -1.185 -4.360 0.269 8695TIP3 OH232393 -1.064 -4.273 -0.146 8695TIP3 H132394 -1.138 -4.211 -0.167 8695TIP3 H232395 -1.106 -4.359 -0.155 8696TIP3 OH232396 -2.276 -2.689 -0.170 8696TIP3 H132397 -2.332 -2.691 -0.249 8696TIP3 H232398 -2.264 -2.594 -0.158 8697TIP3 OH232399 -2.129 -4.129 -0.438 8697TIP3 H132400 -2.057 -4.160 -0.497 8697TIP3 H232401 -2.077 -4.075 -0.375 8698TIP3 OH232402 -1.606 -4.063 -0.209 8698TIP3 H132403 -1.598 -4.142 -0.154 8698TIP3 H232404 -1.587 -3.990 -0.147 8699TIP3 OH232405 -2.235 -4.161 1.074 8699TIP3 H132406 -2.288 -4.240 1.087 8699TIP3 H232407 -2.157 -4.202 1.033 8700TIP3 OH232408 -1.926 -4.287 1.300 8700TIP3 H132409 -1.843 -4.320 1.260 8700TIP3 H232410 -1.965 -4.367 1.337 8701TIP3 OH232411 -0.814 -2.737 1.136 8701TIP3 H132412 -0.883 -2.752 1.069 8701TIP3 H232413 -0.824 -2.641 1.150 8702TIP3 OH232414 0.611 -3.368 0.142 8702TIP3 H132415 0.607 -3.272 0.152 8702TIP3 H232416 0.536 -3.385 0.083 8703TIP3 OH232417 0.498 -3.422 0.451 8703TIP3 H132418 0.495 -3.480 0.528 8703TIP3 H232419 0.472 -3.483 0.380 8704TIP3 OH232420 -0.256 -3.464 0.618 8704TIP3 H132421 -0.257 -3.538 0.682 8704TIP3 H232422 -0.184 -3.410 0.653 8705TIP3 OH232423 0.869 -3.145 0.286 8705TIP3 H132424 0.829 -3.216 0.339 8705TIP3 H232425 0.890 -3.079 0.352 8706TIP3 OH232426 -0.189 -2.999 0.469 8706TIP3 H132427 -0.215 -3.090 0.443 8706TIP3 H232428 -0.096 -3.013 0.491 8707TIP3 OH232429 -0.493 -3.663 0.009 8707TIP3 H132430 -0.528 -3.573 0.016 8707TIP3 H232431 -0.566 -3.708 -0.036 8708TIP3 OH232432 -0.410 -3.414 0.195 8708TIP3 H132433 -0.394 -3.498 0.242 8708TIP3 H232434 -0.328 -3.405 0.144 8709TIP3 OH232435 0.571 -2.616 0.337 8709TIP3 H132436 0.631 -2.690 0.318 8709TIP3 H232437 0.542 -2.635 0.427 8710TIP3 OH232438 0.345 -3.171 0.508 8710TIP3 H132439 0.376 -3.243 0.450 8710TIP3 H232440 0.426 -3.158 0.560 8711TIP3 OH232441 1.201 -4.018 0.566 8711TIP3 H132442 1.235 -3.971 0.644 8711TIP3 H232443 1.264 -3.988 0.498 8712TIP3 OH232444 0.673 -3.740 0.557 8712TIP3 H132445 0.690 -3.836 0.554 8712TIP3 H232446 0.660 -3.721 0.463 8713TIP3 OH232447 -0.012 -3.943 0.273 8713TIP3 H132448 0.031 -3.865 0.232 8713TIP3 H232449 -0.038 -3.991 0.192 8714TIP3 OH232450 0.764 -3.924 0.111 8714TIP3 H132451 0.834 -3.960 0.168 8714TIP3 H232452 0.815 -3.881 0.041 8715TIP3 OH232453 -0.360 -3.666 0.318 8715TIP3 H132454 -0.294 -3.713 0.373 8715TIP3 H232455 -0.350 -3.712 0.233 8716TIP3 OH232456 0.177 -3.525 0.265 8716TIP3 H132457 0.250 -3.580 0.299 8716TIP3 H232458 0.129 -3.590 0.210 8717TIP3 OH232459 1.294 -3.849 0.828 8717TIP3 H132460 1.219 -3.797 0.796 8717TIP3 H232461 1.257 -3.889 0.908 8718TIP3 OH232462 -0.150 -4.055 0.683 8718TIP3 H132463 -0.179 -3.999 0.609 8718TIP3 H232464 -0.218 -4.032 0.750 8719TIP3 OH232465 0.603 -3.081 0.024 8719TIP3 H132466 0.571 -3.108 -0.062 8719TIP3 H232467 0.556 -2.997 0.039 8720TIP3 OH232468 0.146 -3.269 0.696 8720TIP3 H132469 0.072 -3.210 0.721 8720TIP3 H232470 0.207 -3.208 0.651 8721TIP3 OH232471 0.952 -4.023 0.310 8721TIP3 H132472 0.892 -4.051 0.380 8721TIP3 H232473 1.001 -3.952 0.355 8722TIP3 OH232474 -0.177 -3.863 0.471 8722TIP3 H132475 -0.115 -3.800 0.514 8722TIP3 H232476 -0.119 -3.894 0.397 8723TIP3 OH232477 -0.056 -3.082 0.768 8723TIP3 H132478 -0.059 -2.990 0.736 8723TIP3 H232479 -0.143 -3.086 0.812 8724TIP3 OH232480 -0.424 -3.110 -0.146 8724TIP3 H132481 -0.445 -3.066 -0.230 8724TIP3 H232482 -0.410 -3.036 -0.084 8725TIP3 OH232483 0.928 -2.927 0.509 8725TIP3 H132484 0.832 -2.947 0.515 8725TIP3 H232485 0.924 -2.833 0.521 8726TIP3 OH232486 0.961 -4.112 0.704 8726TIP3 H132487 0.882 -4.076 0.662 8726TIP3 H232488 1.029 -4.095 0.635 8727TIP3 OH232489 0.272 4.358 0.399 8727TIP3 H132490 0.249 4.275 0.443 8727TIP3 H232491 0.201 4.417 0.433 8728TIP3 OH232492 0.765 -2.777 0.210 8728TIP3 H132493 0.796 -2.855 0.160 8728TIP3 H232494 0.807 -2.705 0.161 8729TIP3 OH232495 0.896 -2.987 0.054 8729TIP3 H132496 0.848 -3.034 -0.016 8729TIP3 H232497 0.889 -3.052 0.126 8730TIP3 OH232498 1.051 -3.102 0.900 8730TIP3 H132499 1.039 -3.168 0.829 8730TIP3 H232500 1.067 -3.020 0.850 8731TIP3 OH232501 0.477 -3.419 -0.123 8731TIP3 H132502 0.412 -3.357 -0.162 8731TIP3 H232503 0.549 -3.417 -0.187 8732TIP3 OH232504 0.503 -3.595 -0.426 8732TIP3 H132505 0.572 -3.564 -0.364 8732TIP3 H232506 0.557 -3.651 -0.484 8733TIP3 OH232507 1.225 -3.488 0.694 8733TIP3 H132508 1.153 -3.423 0.703 8733TIP3 H232509 1.273 -3.454 0.616 8734TIP3 OH232510 0.829 -3.412 -0.023 8734TIP3 H132511 0.758 -3.393 0.043 8734TIP3 H232512 0.885 -3.472 0.030 8735TIP3 OH232513 0.812 -3.562 0.862 8735TIP3 H132514 0.816 -3.480 0.913 8735TIP3 H232515 0.745 -3.534 0.796 8736TIP3 OH232516 -0.013 -3.337 0.156 8736TIP3 H132517 -0.045 -3.379 0.073 8736TIP3 H232518 0.050 -3.403 0.188 8737TIP3 OH232519 0.124 -2.996 0.428 8737TIP3 H132520 0.111 -3.037 0.342 8737TIP3 H232521 0.203 -3.044 0.461 8738TIP3 OH232522 0.046 -3.460 0.507 8738TIP3 H132523 0.100 -3.457 0.426 8738TIP3 H232524 0.086 -3.389 0.562 8739TIP3 OH232525 0.657 -2.908 0.564 8739TIP3 H132526 0.639 -2.838 0.629 8739TIP3 H232527 0.620 -2.988 0.608 8740TIP3 OH232528 0.128 -3.027 0.990 8740TIP3 H132529 0.078 -2.957 1.036 8740TIP3 H232530 0.065 -3.051 0.919 8741TIP3 OH232531 0.723 -3.470 -0.277 8741TIP3 H132532 0.770 -3.444 -0.195 8741TIP3 H232533 0.772 -3.419 -0.345 8742TIP3 OH232534 -0.176 -3.388 0.903 8742TIP3 H132535 -0.171 -3.326 0.978 8742TIP3 H232536 -0.272 -3.396 0.891 8743TIP3 OH232537 0.476 -2.813 0.083 8743TIP3 H132538 0.519 -2.781 0.163 8743TIP3 H232539 0.416 -2.742 0.059 8744TIP3 OH232540 -0.059 -2.809 1.069 8744TIP3 H132541 -0.071 -2.801 0.972 8744TIP3 H232542 -0.148 -2.832 1.100 8745TIP3 OH232543 1.048 -4.331 -0.352 8745TIP3 H132544 0.990 -4.320 -0.275 8745TIP3 H232545 1.119 -4.268 -0.331 8746TIP3 OH232546 -0.123 -3.459 -0.091 8746TIP3 H132547 -0.143 -3.382 -0.149 8746TIP3 H232548 -0.188 -3.524 -0.122 8747TIP3 OH232549 1.203 -2.877 -0.466 8747TIP3 H132550 1.222 -2.782 -0.453 8747TIP3 H232551 1.291 -2.917 -0.449 8748TIP3 OH232552 -0.514 -3.196 0.782 8748TIP3 H132553 -0.559 -3.193 0.695 8748TIP3 H232554 -0.503 -3.292 0.796 8749TIP3 OH232555 -0.510 -2.905 0.474 8749TIP3 H132556 -0.417 -2.928 0.482 8749TIP3 H232557 -0.520 -2.837 0.542 8750TIP3 OH232558 1.328 -2.840 1.050 8750TIP3 H132559 1.317 -2.935 1.033 8750TIP3 H232560 1.237 -2.815 1.077 8751TIP3 OH232561 0.394 -2.920 0.932 8751TIP3 H132562 0.402 -2.837 0.984 8751TIP3 H232563 0.304 -2.948 0.955 8752TIP3 OH232564 -0.195 -2.622 0.094 8752TIP3 H132565 -0.188 -2.669 0.180 8752TIP3 H232566 -0.278 -2.659 0.061 8753TIP3 OH232567 0.754 -2.595 -0.309 8753TIP3 H132568 0.811 -2.640 -0.375 8753TIP3 H232569 0.752 -2.662 -0.241 8754TIP3 OH232570 1.008 -3.709 1.091 8754TIP3 H132571 0.957 -3.668 1.020 8754TIP3 H232572 1.015 -3.801 1.061 8755TIP3 OH232573 -0.296 -3.041 0.905 8755TIP3 H132574 -0.270 -3.088 0.987 8755TIP3 H232575 -0.370 -3.095 0.872 8756TIP3 OH232576 0.029 -4.220 0.494 8756TIP3 H132577 -0.056 -4.246 0.457 8756TIP3 H232578 0.007 -4.133 0.532 8757TIP3 OH232579 0.479 -4.266 0.852 8757TIP3 H132580 0.500 -4.309 0.936 8757TIP3 H232581 0.383 -4.275 0.848 8758TIP3 OH232582 0.779 -3.864 0.897 8758TIP3 H132583 0.719 -3.874 0.974 8758TIP3 H232584 0.773 -3.768 0.878 8759TIP3 OH232585 0.879 -3.360 -0.475 8759TIP3 H132586 0.857 -3.378 -0.568 8759TIP3 H232587 0.973 -3.336 -0.483 8760TIP3 OH232588 0.433 -3.998 -0.406 8760TIP3 H132589 0.383 -4.006 -0.324 8760TIP3 H232590 0.384 -4.059 -0.465 8761TIP3 OH232591 0.007 -3.716 0.624 8761TIP3 H132592 -0.057 -3.703 0.696 8761TIP3 H232593 0.015 -3.625 0.587 8762TIP3 OH232594 0.009 -3.703 0.111 8762TIP3 H132595 -0.086 -3.720 0.096 8762TIP3 H232596 0.046 -3.730 0.025 8763TIP3 OH232597 0.544 -3.663 -0.005 8763TIP3 H132598 0.499 -3.588 -0.047 8763TIP3 H232599 0.599 -3.697 -0.077 8764TIP3 OH232600 0.485 -3.632 1.123 8764TIP3 H132601 0.433 -3.706 1.160 8764TIP3 H232602 0.571 -3.644 1.166 8765TIP3 OH232603 0.654 -3.703 0.254 8765TIP3 H132604 0.613 -3.652 0.181 8765TIP3 H232605 0.665 -3.788 0.206 8766TIP3 OH232606 -0.252 -3.698 0.805 8766TIP3 H132607 -0.227 -3.667 0.892 8766TIP3 H232608 -0.293 -3.784 0.826 8767TIP3 OH232609 0.081 -3.945 -0.537 8767TIP3 H132610 0.050 -3.979 -0.451 8767TIP3 H232611 -0.002 -3.930 -0.586 8768TIP3 OH232612 -0.577 -3.965 0.173 8768TIP3 H132613 -0.519 -3.954 0.250 8768TIP3 H232614 -0.516 -3.989 0.102 8769TIP3 OH232615 -0.416 -3.911 -0.258 8769TIP3 H132616 -0.360 -3.860 -0.320 8769TIP3 H232617 -0.486 -3.845 -0.240 8770TIP3 OH232618 0.563 -3.544 0.714 8770TIP3 H132619 0.604 -3.616 0.661 8770TIP3 H232620 0.526 -3.592 0.789 8771TIP3 OH232621 -0.266 -3.830 0.088 8771TIP3 H132622 -0.342 -3.798 0.035 8771TIP3 H232623 -0.234 -3.907 0.039 8772TIP3 OH232624 0.111 -3.792 -0.155 8772TIP3 H132625 0.206 -3.792 -0.135 8772TIP3 H232626 0.099 -3.719 -0.218 8773TIP3 OH232627 0.711 -4.038 0.509 8773TIP3 H132628 0.650 -4.036 0.586 8773TIP3 H232629 0.644 -4.060 0.440 8774TIP3 OH232630 -0.055 -3.673 -0.372 8774TIP3 H132631 -0.111 -3.696 -0.447 8774TIP3 H232632 0.029 -3.652 -0.416 8775TIP3 OH232633 1.018 -2.452 1.182 8775TIP3 H132634 1.041 -2.412 1.096 8775TIP3 H232635 1.092 -2.421 1.237 8776TIP3 OH232636 -0.190 -3.198 1.124 8776TIP3 H132637 -0.122 -3.186 1.194 8776TIP3 H232638 -0.270 -3.192 1.180 8777TIP3 OH232639 0.386 -3.696 0.400 8777TIP3 H132640 0.438 -3.747 0.336 8777TIP3 H232641 0.367 -3.764 0.468 8778TIP3 OH232642 -0.102 -4.063 0.019 8778TIP3 H132643 -0.144 -4.150 0.023 8778TIP3 H232644 -0.020 -4.078 -0.030 8779TIP3 OH232645 0.276 -3.853 0.628 8779TIP3 H132646 0.204 -3.789 0.618 8779TIP3 H232647 0.326 -3.819 0.705 8780TIP3 OH232648 0.297 -3.213 -0.187 8780TIP3 H132649 0.221 -3.262 -0.225 8780TIP3 H232650 0.274 -3.209 -0.092 8781TIP3 OH232651 1.015 -3.292 0.686 8781TIP3 H132652 1.065 -3.242 0.618 8781TIP3 H232653 0.930 -3.308 0.640 8782TIP3 OH232654 0.701 -3.925 -0.429 8782TIP3 H132655 0.604 -3.937 -0.417 8782TIP3 H232656 0.724 -3.866 -0.354 8783TIP3 OH232657 0.458 -3.208 0.943 8783TIP3 H132658 0.428 -3.239 1.029 8783TIP3 H232659 0.428 -3.115 0.942 8784TIP3 OH232660 0.772 -3.749 -0.209 8784TIP3 H132661 0.858 -3.761 -0.165 8784TIP3 H232662 0.780 -3.658 -0.244 8785TIP3 OH232663 -0.190 -3.270 0.394 8785TIP3 H132664 -0.138 -3.280 0.313 8785TIP3 H232665 -0.182 -3.358 0.435 8786TIP3 OH232666 0.533 -3.073 -0.297 8786TIP3 H132667 0.507 -2.989 -0.254 8786TIP3 H232668 0.460 -3.132 -0.270 8787TIP3 OH232669 -0.468 -3.444 0.920 8787TIP3 H132670 -0.451 -3.490 1.005 8787TIP3 H232671 -0.527 -3.505 0.873 8788TIP3 OH232672 0.230 -3.495 1.119 8788TIP3 H132673 0.194 -3.517 1.031 8788TIP3 H232674 0.324 -3.519 1.107 8789TIP3 OH232675 0.685 -2.951 0.891 8789TIP3 H132676 0.589 -2.940 0.885 8789TIP3 H232677 0.702 -2.922 0.982 8790TIP3 OH232678 1.238 -3.746 -0.233 8790TIP3 H132679 1.181 -3.764 -0.310 8790TIP3 H232680 1.249 -3.650 -0.246 8791TIP3 OH232681 1.282 -3.141 1.048 8791TIP3 H132682 1.188 -3.118 1.030 8791TIP3 H232683 1.315 -3.158 0.958 8792TIP3 OH232684 1.058 -2.883 -0.219 8792TIP3 H132685 1.038 -2.965 -0.173 8792TIP3 H232686 1.107 -2.913 -0.297 8793TIP3 OH232687 0.783 -3.350 0.515 8793TIP3 H132688 0.689 -3.364 0.491 8793TIP3 H232689 0.825 -3.423 0.465 8794TIP3 OH232690 0.045 -2.941 0.115 8794TIP3 H132691 0.086 -2.854 0.105 8794TIP3 H232692 -0.047 -2.923 0.094 8795TIP3 OH232693 -0.356 -3.463 -0.418 8795TIP3 H132694 -0.299 -3.394 -0.381 8795TIP3 H232695 -0.443 -3.434 -0.388 8796TIP3 OH232696 0.228 -3.171 0.083 8796TIP3 H132697 0.193 -3.081 0.095 8796TIP3 H232698 0.158 -3.224 0.124 8797TIP3 OH232699 0.248 -2.746 0.713 8797TIP3 H132700 0.301 -2.667 0.692 8797TIP3 H232701 0.307 -2.791 0.775 8798TIP3 OH232702 0.096 -2.632 0.040 8798TIP3 H132703 -0.001 -2.636 0.048 8798TIP3 H232704 0.119 -2.562 0.101 8799TIP3 OH232705 0.586 -3.172 0.674 8799TIP3 H132706 0.555 -3.198 0.762 8799TIP3 H232707 0.658 -3.235 0.658 8800TIP3 OH232708 0.805 -3.036 -0.434 8800TIP3 H132709 0.845 -3.086 -0.360 8800TIP3 H232710 0.711 -3.054 -0.414 8801TIP3 OH232711 0.883 -2.714 0.909 8801TIP3 H132712 0.799 -2.750 0.878 8801TIP3 H232713 0.891 -2.632 0.857 8802TIP3 OH232714 1.278 -2.600 -0.390 8802TIP3 H132715 1.349 -2.534 -0.398 8802TIP3 H232716 1.201 -2.540 -0.384 8803TIP3 OH232717 -0.334 -3.961 0.879 8803TIP3 H132718 -0.426 -3.941 0.848 8803TIP3 H232719 -0.351 -4.048 0.922 8804TIP3 OH232720 0.900 -3.177 -0.194 8804TIP3 H132721 0.871 -3.252 -0.139 8804TIP3 H232722 0.997 -3.184 -0.188 8805TIP3 OH232723 -0.357 -2.802 0.720 8805TIP3 H132724 -0.329 -2.893 0.738 8805TIP3 H232725 -0.338 -2.760 0.804 8806TIP3 OH232726 0.230 -2.936 -0.576 8806TIP3 H132727 0.256 -3.016 -0.627 8806TIP3 H232728 0.184 -2.976 -0.500 8807TIP3 OH232729 0.121 -2.985 -0.311 8807TIP3 H132730 0.160 -3.039 -0.241 8807TIP3 H232731 0.125 -2.895 -0.275 8808TIP3 OH232732 -0.203 -3.240 -0.264 8808TIP3 H132733 -0.280 -3.203 -0.216 8808TIP3 H232734 -0.164 -3.158 -0.300 8809TIP3 OH232735 0.557 -4.007 0.744 8809TIP3 H132736 0.621 -3.981 0.812 8809TIP3 H232737 0.521 -4.091 0.778 8810TIP3 OH232738 0.664 -4.071 -0.146 8810TIP3 H132739 0.630 -4.009 -0.211 8810TIP3 H232740 0.641 -4.026 -0.063 8811TIP3 OH232741 0.408 -2.803 -0.234 8811TIP3 H132742 0.315 -2.774 -0.233 8811TIP3 H232743 0.435 -2.781 -0.324 8812TIP3 OH232744 0.400 -3.761 0.873 8812TIP3 H132745 0.411 -3.709 0.954 8812TIP3 H232746 0.460 -3.835 0.888 8813TIP3 OH232747 0.134 -2.716 -0.241 8813TIP3 H132748 0.110 -2.644 -0.303 8813TIP3 H232749 0.109 -2.676 -0.156 8814TIP3 OH232750 0.021 -4.053 -0.282 8814TIP3 H132751 0.023 -3.968 -0.234 8814TIP3 H232752 0.107 -4.090 -0.255 8815TIP3 OH232753 1.040 -3.963 0.953 8815TIP3 H132754 0.943 -3.952 0.943 8815TIP3 H232755 1.061 -3.987 0.862 8816TIP3 OH232756 0.880 -3.573 0.364 8816TIP3 H132757 0.799 -3.616 0.330 8816TIP3 H232758 0.927 -3.648 0.408 8817TIP3 OH232759 -0.162 -2.972 -0.386 8817TIP3 H132760 -0.100 -2.903 -0.358 8817TIP3 H232761 -0.109 -3.016 -0.454 8818TIP3 OH232762 -0.348 -3.745 -0.480 8818TIP3 H132763 -0.333 -3.651 -0.457 8818TIP3 H232764 -0.436 -3.741 -0.520 8819TIP3 OH232765 -0.338 -4.244 0.417 8819TIP3 H132766 -0.297 -4.241 0.329 8819TIP3 H232767 -0.311 -4.333 0.444 8820TIP3 OH232768 -0.363 -2.875 0.022 8820TIP3 H132769 -0.445 -2.829 0.040 8820TIP3 H232770 -0.333 -2.831 -0.059 8821TIP3 OH232771 -0.421 -2.599 1.140 8821TIP3 H132772 -0.370 -2.625 1.219 8821TIP3 H232773 -0.465 -2.682 1.115 8822TIP3 OH232774 0.048 -2.692 1.324 8822TIP3 H132775 0.115 -2.760 1.340 8822TIP3 H232776 0.023 -2.714 1.232 8823TIP3 OH232777 0.450 -2.769 -0.515 8823TIP3 H132778 0.371 -2.824 -0.536 8823TIP3 H232779 0.519 -2.818 -0.563 8824TIP3 OH232780 0.694 -2.870 1.178 8824TIP3 H132781 0.652 -2.948 1.218 8824TIP3 H232782 0.759 -2.843 1.244 8825TIP3 OH232783 0.906 -2.764 -0.507 8825TIP3 H132784 0.919 -2.851 -0.464 8825TIP3 H232785 0.983 -2.761 -0.568 8826TIP3 OH232786 -0.432 -3.238 1.256 8826TIP3 H132787 -0.421 -3.326 1.216 8826TIP3 H232788 -0.507 -3.203 1.204 8827TIP3 OH232789 -0.008 -3.194 -0.544 8827TIP3 H132790 0.009 -3.251 -0.467 8827TIP3 H232791 0.079 -3.197 -0.589 8828TIP3 OH232792 0.233 -3.216 1.189 8828TIP3 H132793 0.202 -3.181 1.104 8828TIP3 H232794 0.239 -3.313 1.172 8829TIP3 OH232795 0.518 -3.060 -0.583 8829TIP3 H132796 0.509 -3.065 -0.486 8829TIP3 H232797 0.512 -3.156 -0.605 8830TIP3 OH232798 0.770 -3.254 0.928 8830TIP3 H132799 0.847 -3.198 0.910 8830TIP3 H232800 0.699 -3.188 0.927 8831TIP3 OH232801 -0.345 -3.526 1.171 8831TIP3 H132802 -0.268 -3.585 1.174 8831TIP3 H232803 -0.349 -3.498 1.264 8832TIP3 OH232804 0.103 -3.386 -0.308 8832TIP3 H132805 0.038 -3.434 -0.255 8832TIP3 H232806 0.130 -3.454 -0.373 8833TIP3 OH232807 0.021 -3.608 0.918 8833TIP3 H132808 -0.034 -3.529 0.933 8833TIP3 H232809 0.084 -3.575 0.852 8834TIP3 OH232810 0.195 -3.585 -0.484 8834TIP3 H132811 0.191 -3.573 -0.581 8834TIP3 H232812 0.291 -3.587 -0.470 8835TIP3 OH232813 0.553 -3.338 1.272 8835TIP3 H132814 0.642 -3.356 1.240 8835TIP3 H232815 0.528 -3.423 1.310 8836TIP3 OH232816 1.147 -3.331 -0.552 8836TIP3 H132817 1.135 -3.373 -0.639 8836TIP3 H232818 1.136 -3.237 -0.576 8837TIP3 OH232819 0.080 -3.879 1.026 8837TIP3 H132820 0.089 -3.943 0.953 8837TIP3 H232821 0.061 -3.797 0.977 8838TIP3 OH232822 0.119 -4.039 0.767 8838TIP3 H132823 0.172 -3.981 0.709 8838TIP3 H232824 0.028 -4.025 0.732 8839TIP3 OH232825 0.271 -3.487 0.816 8839TIP3 H132826 0.353 -3.494 0.765 8839TIP3 H232827 0.237 -3.400 0.785 8840TIP3 OH232828 0.726 -3.693 1.293 8840TIP3 H132829 0.749 -3.787 1.307 8840TIP3 H232830 0.814 -3.653 1.288 8841TIP3 OH232831 0.824 -3.415 1.142 8841TIP3 H132832 0.789 -3.354 1.074 8841TIP3 H232833 0.914 -3.430 1.105 8842TIP3 OH232834 -0.097 -3.698 1.214 8842TIP3 H132835 -0.149 -3.780 1.208 8842TIP3 H232836 -0.018 -3.721 1.163 8843TIP3 OH232837 0.167 -4.278 0.885 8843TIP3 H132838 0.180 -4.186 0.854 8843TIP3 H232839 0.072 -4.285 0.868 8844TIP3 OH232840 0.315 -3.846 1.186 8844TIP3 H132841 0.281 -3.870 1.274 8844TIP3 H232842 0.235 -3.862 1.133 8845TIP3 OH232843 0.574 -3.945 1.084 8845TIP3 H132844 0.485 -3.930 1.121 8845TIP3 H232845 0.610 -4.010 1.147 8846TIP3 OH232846 0.745 -4.137 1.252 8846TIP3 H132847 0.732 -4.224 1.291 8846TIP3 H232848 0.732 -4.077 1.328 8847TIP3 OH232849 -0.216 -3.961 1.197 8847TIP3 H132850 -0.245 -4.019 1.124 8847TIP3 H232851 -0.266 -3.997 1.272 8848TIP3 OH232852 0.276 -4.148 1.299 8848TIP3 H132853 0.254 -4.228 1.250 8848TIP3 H232854 0.192 -4.098 1.300 8849TIP3 OH232855 0.167 -2.443 -0.366 8849TIP3 H132856 0.263 -2.445 -0.369 8849TIP3 H232857 0.146 -2.420 -0.458 8850TIP3 OH232858 -0.447 -3.023 -0.412 8850TIP3 H132859 -0.356 -2.986 -0.414 8850TIP3 H232860 -0.443 -3.087 -0.485 8851TIP3 OH232861 -0.560 -2.513 0.025 8851TIP3 H132862 -0.652 -2.531 -0.000 8851TIP3 H232863 -0.550 -2.572 0.101 8852TIP3 OH232864 -0.497 -2.693 0.249 8852TIP3 H132865 -0.528 -2.780 0.277 8852TIP3 H232866 -0.474 -2.655 0.335 8853TIP3 OH232867 1.244 -2.617 0.837 8853TIP3 H132868 1.194 -2.688 0.795 8853TIP3 H232869 1.303 -2.667 0.895 8854TIP3 OH232870 1.046 -3.086 1.270 8854TIP3 H132871 0.956 -3.077 1.307 8854TIP3 H232872 1.090 -3.004 1.298 8855TIP3 OH232873 1.184 -3.194 -0.157 8855TIP3 H132874 1.275 -3.162 -0.143 8855TIP3 H232875 1.177 -3.259 -0.084 8856TIP3 OH232876 1.230 -3.397 0.040 8856TIP3 H132877 1.164 -3.455 0.082 8856TIP3 H232878 1.299 -3.388 0.109 8857TIP3 OH232879 1.199 -3.147 0.537 8857TIP3 H132880 1.259 -3.200 0.482 8857TIP3 H232881 1.221 -3.057 0.510 8858TIP3 OH232882 1.071 -2.845 0.747 8858TIP3 H132883 1.003 -2.810 0.808 8858TIP3 H232884 1.019 -2.901 0.687 8859TIP3 OH232885 1.257 -3.454 -0.302 8859TIP3 H132886 1.206 -3.426 -0.381 8859TIP3 H232887 1.243 -3.378 -0.244 8860TIP3 OH232888 1.087 -3.700 -0.477 8860TIP3 H132889 1.110 -3.638 -0.548 8860TIP3 H232890 1.059 -3.779 -0.526 8861TIP3 OH232891 1.029 -3.585 0.123 8861TIP3 H132892 1.016 -3.679 0.101 8861TIP3 H232893 0.985 -3.578 0.210 8862TIP3 OH232894 -0.491 -3.368 0.491 8862TIP3 H132895 -0.467 -3.359 0.397 8862TIP3 H232896 -0.403 -3.386 0.530 8863TIP3 OH232897 1.086 -3.392 1.035 8863TIP3 H132898 1.159 -3.455 1.052 8863TIP3 H232899 1.133 -3.309 1.019 8864TIP3 OH232900 1.240 -3.583 1.158 8864TIP3 H132901 1.161 -3.637 1.134 8864TIP3 H232902 1.310 -3.651 1.156 8865TIP3 OH232903 1.026 -3.970 -0.561 8865TIP3 H132904 1.084 -4.012 -0.495 8865TIP3 H232905 0.943 -4.019 -0.551 8866TIP3 OH232906 1.011 -3.826 -0.058 8866TIP3 H132907 1.025 -3.923 -0.054 8866TIP3 H232908 1.092 -3.798 -0.103 8867TIP3 OH232909 1.033 -3.776 0.479 8867TIP3 H132910 1.131 -3.767 0.477 8867TIP3 H232911 1.019 -3.775 0.575 8868TIP3 OH232912 1.048 -3.707 0.766 8868TIP3 H132913 0.964 -3.664 0.791 8868TIP3 H232914 1.104 -3.629 0.743 8869TIP3 OH232915 -0.505 -3.837 1.148 8869TIP3 H132916 -0.414 -3.858 1.123 8869TIP3 H232917 -0.549 -3.923 1.140 8870TIP3 OH232918 1.263 -4.278 1.342 8870TIP3 H132919 1.318 -4.354 1.320 8870TIP3 H232920 1.267 -4.218 1.264 8871TIP3 OH232921 1.038 -4.098 -0.052 8871TIP3 H132922 1.060 -4.150 0.026 8871TIP3 H232923 0.978 -4.158 -0.100 8872TIP3 OH232924 -0.429 -3.989 0.414 8872TIP3 H132925 -0.399 -4.082 0.424 8872TIP3 H232926 -0.350 -3.940 0.443 8873TIP3 OH232927 -0.569 -3.728 0.515 8873TIP3 H132928 -0.510 -3.733 0.439 8873TIP3 H232929 -0.533 -3.651 0.562 8874TIP3 OH232930 1.244 -4.111 1.127 8874TIP3 H132931 1.159 -4.064 1.134 8874TIP3 H232932 1.235 -4.147 1.036 8875TIP3 OH232933 1.251 -4.059 -0.389 8875TIP3 H132934 1.270 -4.143 -0.436 8875TIP3 H232935 1.337 -4.014 -0.390 8876TIP3 OH232936 -0.515 -4.107 -0.085 8876TIP3 H132937 -0.610 -4.091 -0.098 8876TIP3 H232938 -0.474 -4.035 -0.138 8877TIP3 OH232939 0.929 -2.562 0.105 8877TIP3 H132940 0.993 -2.593 0.038 8877TIP3 H232941 0.985 -2.510 0.164 8878TIP3 OH232942 -0.542 -4.127 0.776 8878TIP3 H132943 -0.535 -4.221 0.799 8878TIP3 H232944 -0.557 -4.131 0.681 8879TIP3 OH232945 -0.317 -2.907 1.205 8879TIP3 H132946 -0.388 -2.896 1.141 8879TIP3 H232947 -0.361 -2.893 1.290 8880TIP3 OH232948 -0.031 -2.796 0.769 8880TIP3 H132949 -0.062 -2.709 0.740 8880TIP3 H232950 0.064 -2.786 0.751 8881TIP3 OH232951 0.407 -2.676 1.076 8881TIP3 H132952 0.437 -2.685 1.168 8881TIP3 H232953 0.481 -2.622 1.039 8882TIP3 OH232954 0.621 -2.537 0.995 8882TIP3 H132955 0.704 -2.567 0.958 8882TIP3 H232956 0.649 -2.464 1.051 8883TIP3 OH232957 1.106 -4.276 0.918 8883TIP3 H132958 1.056 -4.215 0.861 8883TIP3 H232959 1.130 -4.343 0.851 8884TIP3 OH232960 -0.289 -2.500 0.806 8884TIP3 H132961 -0.354 -2.445 0.757 8884TIP3 H232962 -0.327 -2.496 0.895 8885TIP3 OH232963 -0.029 -2.513 0.678 8885TIP3 H132964 -0.113 -2.501 0.725 8885TIP3 H232965 -0.041 -2.454 0.602 8886TIP3 OH232966 0.427 -2.513 0.627 8886TIP3 H132967 0.392 -2.462 0.552 8886TIP3 H232968 0.442 -2.443 0.692 8887TIP3 OH232969 0.667 -2.643 0.698 8887TIP3 H132970 0.576 -2.610 0.682 8887TIP3 H232971 0.712 -2.558 0.710 8888TIP3 OH232972 0.934 -2.501 0.703 8888TIP3 H132973 0.904 -2.408 0.714 8888TIP3 H232974 0.951 -2.499 0.608 8889TIP3 OH232975 -0.326 -2.618 0.501 8889TIP3 H132976 -0.336 -2.669 0.584 8889TIP3 H232977 -0.257 -2.670 0.455 8890TIP3 OH232978 -0.132 -2.750 0.342 8890TIP3 H132979 -0.151 -2.842 0.370 8890TIP3 H232980 -0.042 -2.736 0.378 8891TIP3 OH232981 0.140 -2.704 0.433 8891TIP3 H132982 0.158 -2.798 0.414 8891TIP3 H232983 0.152 -2.703 0.529 8892TIP3 OH232984 0.492 -4.115 0.367 8892TIP3 H132985 0.402 -4.149 0.369 8892TIP3 H232986 0.521 -4.131 0.276 8893TIP3 OH232987 1.002 -4.337 0.402 8893TIP3 H132988 1.064 -4.290 0.343 8893TIP3 H232989 0.918 -4.296 0.380 8894TIP3 OH232990 1.198 -4.226 0.191 8894TIP3 H132991 1.247 -4.245 0.110 8894TIP3 H232992 1.213 -4.130 0.201 8895TIP3 OH232993 -0.292 -4.285 0.091 8895TIP3 H132994 -0.384 -4.302 0.072 8895TIP3 H232995 -0.262 -4.369 0.129 8896TIP3 OH232996 -0.433 -4.290 -0.284 8896TIP3 H132997 -0.385 -4.240 -0.353 8896TIP3 H232998 -0.470 -4.217 -0.231 8897TIP3 OH232999 0.204 -4.294 0.122 8897TIP3 H133000 0.228 -4.205 0.085 8897TIP3 H233001 0.133 -4.267 0.182 8898TIP3 OH233002 0.664 -4.304 0.221 8898TIP3 H133003 0.730 -4.259 0.165 8898TIP3 H233004 0.719 -4.357 0.279 8899TIP3 OH233005 0.834 -4.282 -0.164 8899TIP3 H133006 0.766 -4.210 -0.167 8899TIP3 H233007 0.781 -4.360 -0.145 8900TIP3 OH233008 -0.426 -2.698 -0.198 8900TIP3 H133009 -0.469 -2.703 -0.284 8900TIP3 H233010 -0.414 -2.602 -0.193 8901TIP3 OH233011 -0.231 -4.129 -0.429 8901TIP3 H133012 -0.163 -4.157 -0.492 8901TIP3 H233013 -0.180 -4.071 -0.370 8902TIP3 OH233014 0.492 -2.499 -0.339 8902TIP3 H133015 0.581 -2.519 -0.373 8902TIP3 H233016 0.441 -2.562 -0.392 8903TIP3 OH233017 1.130 -2.613 -0.106 8903TIP3 H133018 1.113 -2.696 -0.154 8903TIP3 H233019 1.127 -2.548 -0.178 8904TIP3 OH233020 -0.331 -4.178 1.041 8904TIP3 H133021 -0.375 -4.259 1.070 8904TIP3 H233022 -0.243 -4.214 1.026 8905TIP3 OH233023 -0.037 -4.279 1.304 8905TIP3 H133024 0.050 -4.305 1.266 8905TIP3 H233025 -0.061 -4.358 1.353 8906TIP3 OH233026 1.074 -2.735 1.130 8906TIP3 H133027 0.999 -2.751 1.069 8906TIP3 H233028 1.060 -2.640 1.150 8907TIP3 OH233029 2.497 -3.366 0.144 8907TIP3 H133030 2.496 -3.270 0.154 8907TIP3 H233031 2.420 -3.380 0.087 8908TIP3 OH233032 2.383 -3.422 0.451 8908TIP3 H133033 2.380 -3.479 0.530 8908TIP3 H233034 2.354 -3.484 0.382 8909TIP3 OH233035 1.628 -3.464 0.618 8909TIP3 H133036 1.628 -3.539 0.681 8909TIP3 H233037 1.700 -3.410 0.655 8910TIP3 OH233038 2.751 -3.150 0.283 8910TIP3 H133039 2.712 -3.220 0.338 8910TIP3 H233040 2.777 -3.085 0.350 8911TIP3 OH233041 1.692 -3.002 0.468 8911TIP3 H133042 1.673 -3.095 0.443 8911TIP3 H233043 1.787 -3.010 0.489 8912TIP3 OH233044 1.394 -3.661 0.007 8912TIP3 H133045 1.355 -3.573 0.015 8912TIP3 H233046 1.321 -3.711 -0.033 8913TIP3 OH233047 1.475 -3.413 0.194 8913TIP3 H133048 1.490 -3.498 0.241 8913TIP3 H233049 1.558 -3.404 0.145 8914TIP3 OH233050 2.457 -2.614 0.338 8914TIP3 H133051 2.516 -2.685 0.308 8914TIP3 H233052 2.428 -2.646 0.425 8915TIP3 OH233053 2.230 -3.172 0.508 8915TIP3 H133054 2.263 -3.243 0.450 8915TIP3 H233055 2.312 -3.156 0.559 8916TIP3 OH233056 3.086 -4.017 0.564 8916TIP3 H133057 3.120 -3.972 0.643 8916TIP3 H233058 3.151 -3.988 0.498 8917TIP3 OH233059 2.559 -3.740 0.560 8917TIP3 H133060 2.579 -3.836 0.561 8917TIP3 H233061 2.550 -3.724 0.465 8918TIP3 OH233062 1.854 -3.941 0.269 8918TIP3 H133063 1.872 -3.856 0.224 8918TIP3 H233064 1.823 -3.994 0.194 8919TIP3 OH233065 2.646 -3.922 0.102 8919TIP3 H133066 2.707 -3.964 0.166 8919TIP3 H233067 2.708 -3.877 0.043 8920TIP3 OH233068 1.526 -3.662 0.317 8920TIP3 H133069 1.587 -3.711 0.374 8920TIP3 H233070 1.534 -3.712 0.233 8921TIP3 OH233071 2.065 -3.525 0.263 8921TIP3 H133072 2.135 -3.580 0.302 8921TIP3 H233073 2.014 -3.592 0.213 8922TIP3 OH233074 3.181 -3.847 0.831 8922TIP3 H133075 3.105 -3.797 0.796 8922TIP3 H233076 3.141 -3.891 0.907 8923TIP3 OH233077 1.736 -4.056 0.684 8923TIP3 H133078 1.703 -4.001 0.612 8923TIP3 H233079 1.669 -4.036 0.753 8924TIP3 OH233080 2.487 -3.082 0.022 8924TIP3 H133081 2.456 -3.102 -0.066 8924TIP3 H233082 2.442 -2.997 0.041 8925TIP3 OH233083 2.031 -3.269 0.695 8925TIP3 H133084 1.957 -3.210 0.720 8925TIP3 H233085 2.093 -3.209 0.650 8926TIP3 OH233086 2.834 -4.014 0.305 8926TIP3 H133087 2.785 -4.060 0.373 8926TIP3 H233088 2.885 -3.950 0.357 8927TIP3 OH233089 1.698 -3.856 0.479 8927TIP3 H133090 1.761 -3.795 0.522 8927TIP3 H233091 1.754 -3.890 0.405 8928TIP3 OH233092 1.829 -3.083 0.767 8928TIP3 H133093 1.827 -2.991 0.736 8928TIP3 H233094 1.743 -3.088 0.813 8929TIP3 OH233095 1.460 -3.111 -0.144 8929TIP3 H133096 1.442 -3.063 -0.228 8929TIP3 H233097 1.477 -3.039 -0.080 8930TIP3 OH233098 2.806 -2.967 0.534 8930TIP3 H133099 2.709 -2.956 0.535 8930TIP3 H233100 2.833 -2.881 0.496 8931TIP3 OH233101 2.849 -4.110 0.706 8931TIP3 H133102 2.768 -4.078 0.662 8931TIP3 H233103 2.915 -4.097 0.635 8932TIP3 OH233104 2.159 4.381 0.409 8932TIP3 H133105 2.155 4.285 0.417 8932TIP3 H233106 2.072 4.412 0.439 8933TIP3 OH233107 2.639 -2.776 0.194 8933TIP3 H133108 2.688 -2.852 0.157 8933TIP3 H233109 2.702 -2.703 0.177 8934TIP3 OH233110 2.784 -2.990 0.051 8934TIP3 H133111 2.728 -3.032 -0.016 8934TIP3 H233112 2.775 -3.053 0.125 8935TIP3 OH233113 2.938 -3.105 0.900 8935TIP3 H133114 2.924 -3.169 0.828 8935TIP3 H233115 2.946 -3.021 0.851 8936TIP3 OH233116 2.361 -3.416 -0.130 8936TIP3 H133117 2.295 -3.354 -0.166 8936TIP3 H233118 2.432 -3.409 -0.195 8937TIP3 OH233119 2.390 -3.596 -0.424 8937TIP3 H133120 2.459 -3.565 -0.363 8937TIP3 H233121 2.443 -3.653 -0.483 8938TIP3 OH233122 3.111 -3.487 0.695 8938TIP3 H133123 3.038 -3.423 0.702 8938TIP3 H233124 3.158 -3.453 0.616 8939TIP3 OH233125 2.713 -3.415 -0.022 8939TIP3 H133126 2.644 -3.392 0.045 8939TIP3 H233127 2.773 -3.470 0.031 8940TIP3 OH233128 2.697 -3.562 0.861 8940TIP3 H133129 2.702 -3.480 0.914 8940TIP3 H233130 2.632 -3.533 0.795 8941TIP3 OH233131 1.870 -3.338 0.156 8941TIP3 H133132 1.840 -3.380 0.073 8941TIP3 H233133 1.937 -3.401 0.188 8942TIP3 OH233134 2.006 -2.999 0.431 8942TIP3 H133135 1.997 -3.033 0.341 8942TIP3 H233136 2.087 -3.044 0.462 8943TIP3 OH233137 1.932 -3.458 0.506 8943TIP3 H133138 1.988 -3.453 0.425 8943TIP3 H233139 1.971 -3.389 0.563 8944TIP3 OH233140 2.528 -2.906 0.562 8944TIP3 H133141 2.527 -2.838 0.632 8944TIP3 H233142 2.503 -2.987 0.610 8945TIP3 OH233143 2.015 -3.025 0.989 8945TIP3 H133144 1.964 -2.957 1.036 8945TIP3 H233145 1.951 -3.051 0.919 8946TIP3 OH233146 2.609 -3.473 -0.276 8946TIP3 H133147 2.655 -3.443 -0.195 8946TIP3 H233148 2.658 -3.420 -0.345 8947TIP3 OH233149 1.709 -3.385 0.900 8947TIP3 H133150 1.714 -3.327 0.978 8947TIP3 H233151 1.613 -3.398 0.892 8948TIP3 OH233152 2.355 -2.810 0.081 8948TIP3 H133153 2.398 -2.777 0.160 8948TIP3 H233154 2.306 -2.732 0.049 8949TIP3 OH233155 1.826 -2.808 1.070 8949TIP3 H133156 1.815 -2.801 0.973 8949TIP3 H233157 1.737 -2.833 1.101 8950TIP3 OH233158 2.927 -4.321 -0.354 8950TIP3 H133159 2.885 -4.324 -0.268 8950TIP3 H233160 3.006 -4.269 -0.333 8951TIP3 OH233161 1.763 -3.463 -0.090 8951TIP3 H133162 1.745 -3.387 -0.148 8951TIP3 H233163 1.698 -3.527 -0.120 8952TIP3 OH233164 3.089 -2.884 -0.471 8952TIP3 H133165 3.104 -2.789 -0.450 8952TIP3 H233166 3.177 -2.922 -0.452 8953TIP3 OH233167 1.368 -3.197 0.781 8953TIP3 H133168 1.328 -3.201 0.693 8953TIP3 H233169 1.384 -3.291 0.800 8954TIP3 OH233170 1.369 -2.896 0.488 8954TIP3 H133171 1.455 -2.938 0.471 8954TIP3 H233172 1.391 -2.846 0.568 8955TIP3 OH233173 3.214 -2.841 1.052 8955TIP3 H133174 3.203 -2.936 1.032 8955TIP3 H233175 3.123 -2.818 1.080 8956TIP3 OH233176 2.280 -2.920 0.933 8956TIP3 H133177 2.287 -2.837 0.983 8956TIP3 H233178 2.189 -2.949 0.954 8957TIP3 OH233179 2.317 -2.540 -0.073 8957TIP3 H133180 2.309 -2.525 -0.169 8957TIP3 H233181 2.308 -2.451 -0.037 8958TIP3 OH233182 1.697 -2.638 0.084 8958TIP3 H133183 1.705 -2.665 0.177 8958TIP3 H233184 1.605 -2.661 0.064 8959TIP3 OH233185 2.640 -2.595 -0.353 8959TIP3 H133186 2.695 -2.662 -0.398 8959TIP3 H233187 2.632 -2.633 -0.263 8960TIP3 OH233188 2.578 -2.655 -0.073 8960TIP3 H133189 2.484 -2.633 -0.062 8960TIP3 H233190 2.587 -2.727 -0.008 8961TIP3 OH233191 2.895 -3.708 1.092 8961TIP3 H133192 2.843 -3.668 1.020 8961TIP3 H233193 2.901 -3.801 1.062 8962TIP3 OH233194 1.590 -3.042 0.908 8962TIP3 H133195 1.617 -3.090 0.989 8962TIP3 H233196 1.517 -3.097 0.873 8963TIP3 OH233197 1.911 -4.220 0.498 8963TIP3 H133198 1.829 -4.242 0.452 8963TIP3 H233199 1.887 -4.136 0.539 8964TIP3 OH233200 2.367 -4.262 0.855 8964TIP3 H133201 2.385 -4.309 0.937 8964TIP3 H233202 2.272 -4.278 0.845 8965TIP3 OH233203 2.664 -3.863 0.898 8965TIP3 H133204 2.604 -3.875 0.974 8965TIP3 H233205 2.657 -3.768 0.879 8966TIP3 OH233206 2.763 -3.365 -0.477 8966TIP3 H133207 2.743 -3.380 -0.571 8966TIP3 H233208 2.856 -3.336 -0.481 8967TIP3 OH233209 2.329 -3.994 -0.430 8967TIP3 H133210 2.274 -4.004 -0.350 8967TIP3 H233211 2.279 -4.054 -0.490 8968TIP3 OH233212 1.895 -3.716 0.624 8968TIP3 H133213 1.836 -3.703 0.700 8968TIP3 H233214 1.903 -3.625 0.588 8969TIP3 OH233215 1.889 -3.709 0.113 8969TIP3 H133216 1.794 -3.717 0.096 8969TIP3 H233217 1.925 -3.727 0.023 8970TIP3 OH233218 2.451 -3.652 -0.011 8970TIP3 H133219 2.410 -3.569 -0.044 8970TIP3 H233220 2.518 -3.667 -0.080 8971TIP3 OH233221 2.370 -3.632 1.123 8971TIP3 H133222 2.318 -3.706 1.160 8971TIP3 H233223 2.456 -3.644 1.166 8972TIP3 OH233224 2.536 -3.711 0.267 8972TIP3 H133225 2.507 -3.653 0.194 8972TIP3 H233226 2.557 -3.792 0.216 8973TIP3 OH233227 1.631 -3.696 0.806 8973TIP3 H133228 1.659 -3.669 0.894 8973TIP3 H233229 1.592 -3.784 0.825 8974TIP3 OH233230 1.968 -3.944 -0.536 8974TIP3 H133231 1.933 -3.979 -0.452 8974TIP3 H233232 1.888 -3.926 -0.587 8975TIP3 OH233233 1.311 -3.956 0.171 8975TIP3 H133234 1.369 -3.956 0.249 8975TIP3 H233235 1.367 -3.993 0.101 8976TIP3 OH233236 1.472 -3.911 -0.258 8976TIP3 H133237 1.525 -3.860 -0.322 8976TIP3 H233238 1.400 -3.847 -0.240 8977TIP3 OH233239 2.446 -3.543 0.713 8977TIP3 H133240 2.489 -3.616 0.663 8977TIP3 H233241 2.412 -3.591 0.790 8978TIP3 OH233242 2.167 -3.943 0.211 8978TIP3 H133243 2.073 -3.958 0.232 8978TIP3 H233244 2.209 -3.972 0.293 8979TIP3 OH233245 1.622 -3.827 0.082 8979TIP3 H133246 1.542 -3.798 0.036 8979TIP3 H233247 1.649 -3.908 0.035 8980TIP3 OH233248 1.986 -3.790 -0.148 8980TIP3 H133249 2.083 -3.783 -0.146 8980TIP3 H233250 1.960 -3.733 -0.223 8981TIP3 OH233251 2.601 -4.033 0.516 8981TIP3 H133252 2.537 -4.035 0.590 8981TIP3 H233253 2.543 -4.063 0.444 8982TIP3 OH233254 1.834 -3.673 -0.373 8982TIP3 H133255 1.774 -3.695 -0.446 8982TIP3 H233256 1.914 -3.648 -0.421 8983TIP3 OH233257 2.906 -2.458 1.182 8983TIP3 H133258 2.925 -2.412 1.099 8983TIP3 H233259 2.976 -2.425 1.241 8984TIP3 OH233260 1.697 -3.196 1.125 8984TIP3 H133261 1.765 -3.187 1.195 8984TIP3 H233262 1.616 -3.195 1.180 8985TIP3 OH233263 2.268 -3.694 0.398 8985TIP3 H133264 2.340 -3.738 0.349 8985TIP3 H233265 2.252 -3.757 0.471 8986TIP3 OH233266 1.781 -4.066 0.019 8986TIP3 H133267 1.736 -4.152 0.032 8986TIP3 H233268 1.866 -4.093 -0.018 8987TIP3 OH233269 2.164 -3.849 0.623 8987TIP3 H133270 2.089 -3.788 0.622 8987TIP3 H233271 2.214 -3.822 0.703 8988TIP3 OH233272 2.179 -3.210 -0.189 8988TIP3 H133273 2.103 -3.260 -0.225 8988TIP3 H233274 2.159 -3.205 -0.093 8989TIP3 OH233275 2.901 -3.294 0.685 8989TIP3 H133276 2.951 -3.239 0.620 8989TIP3 H233277 2.816 -3.305 0.639 8990TIP3 OH233278 2.596 -3.930 -0.428 8990TIP3 H133279 2.498 -3.938 -0.425 8990TIP3 H233280 2.615 -3.863 -0.360 8991TIP3 OH233281 2.344 -3.208 0.943 8991TIP3 H133282 2.313 -3.240 1.029 8991TIP3 H233283 2.313 -3.116 0.943 8992TIP3 OH233284 2.661 -3.750 -0.213 8992TIP3 H133285 2.748 -3.762 -0.170 8992TIP3 H233286 2.670 -3.659 -0.250 8993TIP3 OH233287 1.694 -3.270 0.393 8993TIP3 H133288 1.749 -3.281 0.313 8993TIP3 H233289 1.703 -3.357 0.436 8994TIP3 OH233290 2.419 -3.074 -0.295 8994TIP3 H133291 2.392 -2.987 -0.260 8994TIP3 H233292 2.342 -3.128 -0.269 8995TIP3 OH233293 1.417 -3.442 0.920 8995TIP3 H133294 1.435 -3.487 1.005 8995TIP3 H233295 1.359 -3.505 0.874 8996TIP3 OH233296 2.116 -3.493 1.118 8996TIP3 H133297 2.082 -3.517 1.030 8996TIP3 H233298 2.209 -3.520 1.108 8997TIP3 OH233299 2.570 -2.950 0.891 8997TIP3 H133300 2.474 -2.942 0.883 8997TIP3 H233301 2.585 -2.924 0.983 8998TIP3 OH233302 3.123 -3.746 -0.233 8998TIP3 H133303 3.066 -3.765 -0.310 8998TIP3 H233304 3.134 -3.649 -0.246 8999TIP3 OH233305 3.169 -3.139 1.047 8999TIP3 H133306 3.075 -3.119 1.028 8999TIP3 H233307 3.201 -3.159 0.957 9000TIP3 OH233308 2.943 -2.883 -0.222 9000TIP3 H133309 2.922 -2.962 -0.170 9000TIP3 H233310 2.995 -2.920 -0.296 9001TIP3 OH233311 2.667 -3.351 0.516 9001TIP3 H133312 2.574 -3.365 0.491 9001TIP3 H233313 2.711 -3.422 0.465 9002TIP3 OH233314 1.928 -2.940 0.122 9002TIP3 H133315 1.972 -2.854 0.108 9002TIP3 H233316 1.839 -2.919 0.094 9003TIP3 OH233317 1.531 -3.463 -0.419 9003TIP3 H133318 1.587 -3.394 -0.381 9003TIP3 H233319 1.442 -3.434 -0.388 9004TIP3 OH233320 2.114 -3.174 0.081 9004TIP3 H133321 2.086 -3.082 0.095 9004TIP3 H233322 2.041 -3.222 0.124 9005TIP3 OH233323 2.130 -2.747 0.717 9005TIP3 H133324 2.184 -2.672 0.686 9005TIP3 H233325 2.194 -2.795 0.773 9006TIP3 OH233326 1.974 -2.655 0.042 9006TIP3 H133327 1.879 -2.635 0.047 9006TIP3 H233328 2.013 -2.567 0.064 9007TIP3 OH233329 2.471 -3.172 0.673 9007TIP3 H133330 2.442 -3.200 0.762 9007TIP3 H233331 2.545 -3.233 0.656 9008TIP3 OH233332 2.688 -3.043 -0.435 9008TIP3 H133333 2.730 -3.087 -0.359 9008TIP3 H233334 2.595 -3.055 -0.410 9009TIP3 OH233335 2.767 -2.715 0.912 9009TIP3 H133336 2.690 -2.761 0.871 9009TIP3 H233337 2.774 -2.635 0.856 9010TIP3 OH233338 3.164 -2.615 -0.382 9010TIP3 H133339 3.230 -2.550 -0.408 9010TIP3 H233340 3.085 -2.558 -0.379 9011TIP3 OH233341 1.552 -3.961 0.878 9011TIP3 H133342 1.461 -3.943 0.847 9011TIP3 H233343 1.536 -4.047 0.922 9012TIP3 OH233344 2.784 -3.181 -0.197 9012TIP3 H133345 2.758 -3.252 -0.136 9012TIP3 H233346 2.881 -3.182 -0.187 9013TIP3 OH233347 1.521 -2.808 0.722 9013TIP3 H133348 1.563 -2.894 0.738 9013TIP3 H233349 1.547 -2.761 0.803 9014TIP3 OH233350 2.113 -2.936 -0.578 9014TIP3 H133351 2.141 -3.016 -0.626 9014TIP3 H233352 2.070 -2.975 -0.500 9015TIP3 OH233353 1.997 -2.985 -0.306 9015TIP3 H133354 2.049 -3.036 -0.242 9015TIP3 H233355 2.011 -2.893 -0.275 9016TIP3 OH233356 1.681 -3.241 -0.265 9016TIP3 H133357 1.608 -3.202 -0.214 9016TIP3 H233358 1.727 -3.161 -0.296 9017TIP3 OH233359 2.442 -4.007 0.745 9017TIP3 H133360 2.505 -3.981 0.813 9017TIP3 H233361 2.406 -4.092 0.779 9018TIP3 OH233362 2.522 -4.058 -0.141 9018TIP3 H133363 2.526 -3.997 -0.216 9018TIP3 H233364 2.556 -4.002 -0.069 9019TIP3 OH233365 2.290 -2.826 -0.244 9019TIP3 H133366 2.211 -2.773 -0.223 9019TIP3 H233367 2.328 -2.774 -0.317 9020TIP3 OH233368 2.256 -3.853 -0.041 9020TIP3 H133369 2.328 -3.788 -0.027 9020TIP3 H233370 2.225 -3.867 0.051 9021TIP3 OH233371 2.288 -3.761 0.871 9021TIP3 H133372 2.296 -3.710 0.953 9021TIP3 H233373 2.344 -3.837 0.889 9022TIP3 OH233374 2.327 -4.173 0.060 9022TIP3 H133375 2.292 -4.097 0.110 9022TIP3 H233376 2.381 -4.128 -0.008 9023TIP3 OH233377 2.011 -2.715 -0.243 9023TIP3 H133378 2.006 -2.634 -0.299 9023TIP3 H233379 1.996 -2.679 -0.154 9024TIP3 OH233380 1.880 -4.051 -0.291 9024TIP3 H133381 1.882 -3.969 -0.238 9024TIP3 H233382 1.968 -4.087 -0.269 9025TIP3 OH233383 2.926 -3.963 0.953 9025TIP3 H133384 2.829 -3.952 0.944 9025TIP3 H233385 2.945 -3.989 0.862 9026TIP3 OH233386 2.767 -3.574 0.363 9026TIP3 H133387 2.685 -3.619 0.336 9026TIP3 H233388 2.816 -3.646 0.409 9027TIP3 OH233389 1.723 -2.963 -0.389 9027TIP3 H133390 1.795 -2.909 -0.351 9027TIP3 H233391 1.773 -3.010 -0.457 9028TIP3 OH233392 1.538 -3.745 -0.479 9028TIP3 H133393 1.550 -3.651 -0.456 9028TIP3 H233394 1.451 -3.743 -0.522 9029TIP3 OH233395 2.870 -2.689 0.503 9029TIP3 H133396 2.849 -2.609 0.451 9029TIP3 H233397 2.963 -2.672 0.525 9030TIP3 OH233398 1.551 -4.242 0.418 9030TIP3 H133399 1.590 -4.241 0.330 9030TIP3 H233400 1.574 -4.333 0.444 9031TIP3 OH233401 1.513 -2.879 0.037 9031TIP3 H133402 1.432 -2.830 0.023 9031TIP3 H233403 1.569 -2.842 -0.032 9032TIP3 OH233404 1.459 -2.596 1.143 9032TIP3 H133405 1.515 -2.624 1.218 9032TIP3 H233406 1.419 -2.681 1.115 9033TIP3 OH233407 1.928 -2.694 1.323 9033TIP3 H133408 1.998 -2.757 1.342 9033TIP3 H233409 1.906 -2.717 1.231 9034TIP3 OH233410 2.335 -2.766 -0.528 9034TIP3 H133411 2.259 -2.827 -0.537 9034TIP3 H233412 2.405 -2.821 -0.567 9035TIP3 OH233413 2.578 -2.866 1.178 9035TIP3 H133414 2.537 -2.946 1.215 9035TIP3 H233415 2.645 -2.844 1.245 9036TIP3 OH233416 2.797 -2.775 -0.515 9036TIP3 H133417 2.814 -2.857 -0.467 9036TIP3 H233418 2.873 -2.770 -0.576 9037TIP3 OH233419 1.455 -3.236 1.255 9037TIP3 H133420 1.464 -3.326 1.220 9037TIP3 H233421 1.378 -3.204 1.203 9038TIP3 OH233422 1.876 -3.194 -0.544 9038TIP3 H133423 1.894 -3.252 -0.468 9038TIP3 H233424 1.963 -3.196 -0.589 9039TIP3 OH233425 2.119 -3.216 1.189 9039TIP3 H133426 2.088 -3.182 1.103 9039TIP3 H233427 2.125 -3.312 1.173 9040TIP3 OH233428 2.401 -3.061 -0.582 9040TIP3 H133429 2.395 -3.064 -0.485 9040TIP3 H233430 2.395 -3.157 -0.603 9041TIP3 OH233431 2.655 -3.254 0.929 9041TIP3 H133432 2.733 -3.200 0.907 9041TIP3 H233433 2.585 -3.188 0.926 9042TIP3 OH233434 1.541 -3.523 1.171 9042TIP3 H133435 1.616 -3.585 1.173 9042TIP3 H233436 1.537 -3.499 1.265 9043TIP3 OH233437 1.986 -3.385 -0.310 9043TIP3 H133438 1.925 -3.437 -0.255 9043TIP3 H233439 2.016 -3.453 -0.373 9044TIP3 OH233440 1.906 -3.609 0.915 9044TIP3 H133441 1.853 -3.530 0.935 9044TIP3 H233442 1.972 -3.573 0.852 9045TIP3 OH233443 2.080 -3.584 -0.484 9045TIP3 H133444 2.076 -3.575 -0.581 9045TIP3 H233445 2.176 -3.587 -0.469 9046TIP3 OH233446 2.438 -3.338 1.272 9046TIP3 H133447 2.528 -3.357 1.240 9046TIP3 H233448 2.412 -3.422 1.311 9047TIP3 OH233449 3.034 -3.332 -0.552 9047TIP3 H133450 3.021 -3.372 -0.639 9047TIP3 H233451 3.021 -3.237 -0.574 9048TIP3 OH233452 1.966 -3.879 1.026 9048TIP3 H133453 1.974 -3.944 0.954 9048TIP3 H233454 1.946 -3.797 0.977 9049TIP3 OH233455 2.004 -4.037 0.768 9049TIP3 H133456 2.057 -3.982 0.707 9049TIP3 H233457 1.913 -4.026 0.734 9050TIP3 OH233458 2.155 -3.487 0.815 9050TIP3 H133459 2.239 -3.495 0.766 9050TIP3 H233460 2.123 -3.400 0.784 9051TIP3 OH233461 2.612 -3.693 1.292 9051TIP3 H133462 2.632 -3.786 1.309 9051TIP3 H233463 2.701 -3.654 1.288 9052TIP3 OH233464 2.710 -3.415 1.142 9052TIP3 H133465 2.675 -3.354 1.074 9052TIP3 H233466 2.799 -3.430 1.105 9053TIP3 OH233467 1.787 -3.696 1.209 9053TIP3 H133468 1.736 -3.778 1.210 9053TIP3 H233469 1.868 -3.725 1.164 9054TIP3 OH233470 2.051 -4.277 0.890 9054TIP3 H133471 2.066 -4.187 0.855 9054TIP3 H233472 1.957 -4.287 0.868 9055TIP3 OH233473 2.200 -3.844 1.186 9055TIP3 H133474 2.169 -3.871 1.274 9055TIP3 H233475 2.119 -3.863 1.134 9056TIP3 OH233476 2.459 -3.944 1.084 9056TIP3 H133477 2.370 -3.930 1.121 9056TIP3 H233478 2.495 -4.010 1.147 9057TIP3 OH233479 2.635 -4.137 1.254 9057TIP3 H133480 2.616 -4.224 1.291 9057TIP3 H233481 2.617 -4.077 1.328 9058TIP3 OH233482 1.667 -3.960 1.196 9058TIP3 H133483 1.640 -4.020 1.125 9058TIP3 H233484 1.622 -3.998 1.274 9059TIP3 OH233485 2.163 -4.145 1.294 9059TIP3 H133486 2.140 -4.228 1.249 9059TIP3 H233487 2.078 -4.099 1.302 9060TIP3 OH233488 2.059 -2.466 -0.378 9060TIP3 H133489 2.152 -2.444 -0.360 9060TIP3 H233490 2.044 -2.410 -0.456 9061TIP3 OH233491 1.448 -3.022 -0.418 9061TIP3 H133492 1.544 -3.001 -0.408 9061TIP3 H233493 1.450 -3.097 -0.479 9062TIP3 OH233494 1.357 -2.496 0.052 9062TIP3 H133495 1.286 -2.527 -0.006 9062TIP3 H233496 1.360 -2.562 0.123 9063TIP3 OH233497 1.351 -2.701 0.277 9063TIP3 H133498 1.379 -2.794 0.273 9063TIP3 H233499 1.424 -2.664 0.331 9064TIP3 OH233500 3.142 -2.573 0.552 9064TIP3 H133501 3.158 -2.576 0.648 9064TIP3 H233502 3.227 -2.543 0.518 9065TIP3 OH233503 3.134 -2.628 0.840 9065TIP3 H133504 3.079 -2.700 0.803 9065TIP3 H233505 3.186 -2.677 0.905 9066TIP3 OH233506 2.931 -3.086 1.269 9066TIP3 H133507 2.842 -3.077 1.308 9066TIP3 H233508 2.976 -3.004 1.299 9067TIP3 OH233509 3.071 -3.195 -0.158 9067TIP3 H133510 3.161 -3.162 -0.142 9067TIP3 H233511 3.062 -3.258 -0.085 9068TIP3 OH233512 3.117 -3.398 0.039 9068TIP3 H133513 3.050 -3.455 0.082 9068TIP3 H233514 3.185 -3.387 0.108 9069TIP3 OH233515 3.091 -3.149 0.540 9069TIP3 H133516 3.150 -3.198 0.481 9069TIP3 H233517 3.100 -3.058 0.507 9070TIP3 OH233518 2.961 -2.857 0.762 9070TIP3 H133519 2.887 -2.816 0.811 9070TIP3 H233520 2.916 -2.892 0.683 9071TIP3 OH233521 3.143 -3.454 -0.303 9071TIP3 H133522 3.091 -3.425 -0.381 9071TIP3 H233523 3.129 -3.379 -0.243 9072TIP3 OH233524 2.971 -3.699 -0.477 9072TIP3 H133525 2.996 -3.638 -0.547 9072TIP3 H233526 2.945 -3.779 -0.527 9073TIP3 OH233527 2.912 -3.584 0.122 9073TIP3 H133528 2.903 -3.679 0.103 9073TIP3 H233529 2.872 -3.576 0.211 9074TIP3 OH233530 1.394 -3.361 0.492 9074TIP3 H133531 1.418 -3.359 0.398 9074TIP3 H233532 1.480 -3.384 0.532 9075TIP3 OH233533 2.971 -3.393 1.037 9075TIP3 H133534 3.045 -3.454 1.052 9075TIP3 H233535 3.016 -3.310 1.015 9076TIP3 OH233536 3.127 -3.584 1.158 9076TIP3 H133537 3.047 -3.636 1.134 9076TIP3 H233538 3.196 -3.653 1.155 9077TIP3 OH233539 2.912 -3.969 -0.561 9077TIP3 H133540 2.971 -4.012 -0.496 9077TIP3 H233541 2.829 -4.018 -0.550 9078TIP3 OH233542 2.894 -3.827 -0.059 9078TIP3 H133543 2.911 -3.924 -0.054 9078TIP3 H233544 2.976 -3.797 -0.102 9079TIP3 OH233545 2.919 -3.774 0.479 9079TIP3 H133546 3.017 -3.768 0.477 9079TIP3 H233547 2.905 -3.776 0.575 9080TIP3 OH233548 2.934 -3.706 0.766 9080TIP3 H133549 2.850 -3.665 0.791 9080TIP3 H233550 2.989 -3.629 0.743 9081TIP3 OH233551 1.380 -3.836 1.144 9081TIP3 H133552 1.472 -3.858 1.127 9081TIP3 H233553 1.337 -3.923 1.141 9082TIP3 OH233554 3.152 -4.275 1.343 9082TIP3 H133555 3.198 -4.356 1.319 9082TIP3 H233556 3.152 -4.218 1.263 9083TIP3 OH233557 2.923 -4.099 -0.051 9083TIP3 H133558 2.947 -4.150 0.027 9083TIP3 H233559 2.861 -4.160 -0.095 9084TIP3 OH233560 1.456 -3.990 0.412 9084TIP3 H133561 1.487 -4.083 0.423 9084TIP3 H233562 1.531 -3.940 0.449 9085TIP3 OH233563 1.316 -3.728 0.514 9085TIP3 H133564 1.375 -3.734 0.437 9085TIP3 H233565 1.355 -3.654 0.562 9086TIP3 OH233566 3.129 -4.111 1.127 9086TIP3 H133567 3.044 -4.064 1.133 9086TIP3 H233568 3.120 -4.147 1.036 9087TIP3 OH233569 3.137 -4.057 -0.392 9087TIP3 H133570 3.155 -4.143 -0.436 9087TIP3 H233571 3.224 -4.015 -0.390 9088TIP3 OH233572 1.371 -4.102 -0.080 9088TIP3 H133573 1.276 -4.094 -0.099 9088TIP3 H233574 1.410 -4.033 -0.138 9089TIP3 OH233575 2.831 -2.570 0.132 9089TIP3 H133576 2.878 -2.593 0.050 9089TIP3 H233577 2.901 -2.532 0.186 9090TIP3 OH233578 1.349 -4.128 0.773 9090TIP3 H133579 1.347 -4.222 0.799 9090TIP3 H233580 1.327 -4.133 0.679 9091TIP3 OH233581 1.570 -2.900 1.205 9091TIP3 H133582 1.498 -2.897 1.140 9091TIP3 H233583 1.522 -2.897 1.289 9092TIP3 OH233584 1.853 -2.797 0.772 9092TIP3 H133585 1.823 -2.712 0.736 9092TIP3 H233586 1.949 -2.789 0.754 9093TIP3 OH233587 2.306 -2.669 1.073 9093TIP3 H133588 2.320 -2.684 1.168 9093TIP3 H233589 2.388 -2.622 1.047 9094TIP3 OH233590 2.534 -2.521 0.997 9094TIP3 H133591 2.602 -2.587 0.974 9094TIP3 H233592 2.564 -2.492 1.085 9095TIP3 OH233593 2.993 -4.276 0.917 9095TIP3 H133594 2.942 -4.214 0.862 9095TIP3 H233595 3.013 -4.344 0.851 9096TIP3 OH233596 1.588 -2.506 0.802 9096TIP3 H133597 1.531 -2.442 0.757 9096TIP3 H233598 1.559 -2.495 0.893 9097TIP3 OH233599 1.840 -2.525 0.657 9097TIP3 H133600 1.756 -2.503 0.703 9097TIP3 H233601 1.843 -2.457 0.588 9098TIP3 OH233602 2.316 -2.526 0.616 9098TIP3 H133603 2.277 -2.484 0.536 9098TIP3 H233604 2.323 -2.449 0.675 9099TIP3 OH233605 2.548 -2.654 0.709 9099TIP3 H133606 2.464 -2.619 0.675 9099TIP3 H233607 2.603 -2.574 0.704 9100TIP3 OH233608 2.806 -2.481 0.728 9100TIP3 H133609 2.796 -2.386 0.704 9100TIP3 H233610 2.829 -2.518 0.641 9101TIP3 OH233611 1.521 -2.628 0.494 9101TIP3 H133612 1.525 -2.658 0.587 9101TIP3 H233613 1.610 -2.653 0.463 9102TIP3 OH233614 1.742 -2.742 0.350 9102TIP3 H133615 1.733 -2.836 0.375 9102TIP3 H233616 1.834 -2.723 0.374 9103TIP3 OH233617 2.023 -2.702 0.431 9103TIP3 H133618 2.044 -2.794 0.409 9103TIP3 H233619 2.032 -2.704 0.527 9104TIP3 OH233620 2.357 -4.112 0.362 9104TIP3 H133621 2.294 -4.182 0.389 9104TIP3 H233622 2.416 -4.161 0.302 9105TIP3 OH233623 2.885 -4.330 0.407 9105TIP3 H133624 2.945 -4.289 0.342 9105TIP3 H233625 2.798 -4.305 0.373 9106TIP3 OH233626 3.080 -4.225 0.189 9106TIP3 H133627 3.136 -4.246 0.113 9106TIP3 H233628 3.099 -4.130 0.201 9107TIP3 OH233629 1.593 -4.284 0.091 9107TIP3 H133630 1.501 -4.304 0.073 9107TIP3 H233631 1.626 -4.365 0.130 9108TIP3 OH233632 1.450 -4.291 -0.282 9108TIP3 H133633 1.496 -4.244 -0.354 9108TIP3 H233634 1.414 -4.217 -0.231 9109TIP3 OH233635 2.041 -4.227 0.121 9109TIP3 H133636 2.135 -4.235 0.098 9109TIP3 H233637 2.029 -4.293 0.189 9110TIP3 OH233638 2.599 -4.265 0.257 9110TIP3 H133639 2.631 -4.262 0.165 9110TIP3 H233640 2.583 -4.359 0.271 9111TIP3 OH233641 2.708 -4.272 -0.147 9111TIP3 H133642 2.632 -4.213 -0.168 9111TIP3 H233643 2.668 -4.360 -0.151 9112TIP3 OH233644 1.478 -2.697 -0.180 9112TIP3 H133645 1.421 -2.700 -0.258 9112TIP3 H233646 1.493 -2.601 -0.173 9113TIP3 OH233647 1.642 -4.128 -0.439 9113TIP3 H133648 1.713 -4.160 -0.497 9113TIP3 H233649 1.694 -4.074 -0.376 9114TIP3 OH233650 2.166 -4.061 -0.211 9114TIP3 H133651 2.173 -4.143 -0.159 9114TIP3 H233652 2.185 -3.991 -0.144 9115TIP3 OH233653 2.362 -2.515 -0.365 9115TIP3 H133654 2.459 -2.511 -0.371 9115TIP3 H233655 2.342 -2.578 -0.435 9116TIP3 OH233656 3.015 -2.610 -0.108 9116TIP3 H133657 2.989 -2.694 -0.151 9116TIP3 H233658 3.004 -2.548 -0.182 9117TIP3 OH233659 1.555 -4.179 1.039 9117TIP3 H133660 1.510 -4.258 1.072 9117TIP3 H233661 1.644 -4.215 1.027 9118TIP3 OH233662 1.848 -4.278 1.304 9118TIP3 H133663 1.935 -4.305 1.266 9118TIP3 H233664 1.825 -4.356 1.355 9119TIP3 OH233665 1.635 -2.608 -0.497 9119TIP3 H133666 1.617 -2.569 -0.410 9119TIP3 H233667 1.718 -2.655 -0.484 9120TIP3 OH233668 2.963 -2.734 1.130 9120TIP3 H133669 2.889 -2.754 1.069 9120TIP3 H233670 2.943 -2.640 1.151 9121TIP3 OH233671 4.211 -3.455 0.459 9121TIP3 H133672 4.292 -3.430 0.509 9121TIP3 H233673 4.245 -3.462 0.369 9122TIP3 OH233674 3.514 -3.464 0.618 9122TIP3 H133675 3.513 -3.539 0.681 9122TIP3 H233676 3.587 -3.410 0.654 9123TIP3 OH233677 3.581 -3.000 0.469 9123TIP3 H133678 3.556 -3.091 0.443 9123TIP3 H233679 3.674 -3.014 0.491 9124TIP3 OH233680 3.280 -3.661 0.007 9124TIP3 H133681 3.240 -3.573 0.015 9124TIP3 H233682 3.207 -3.710 -0.033 9125TIP3 OH233683 3.361 -3.413 0.193 9125TIP3 H133684 3.375 -3.497 0.241 9125TIP3 H233685 3.444 -3.405 0.145 9126TIP3 OH233686 4.120 -3.171 0.518 9126TIP3 H133687 4.144 -3.246 0.462 9126TIP3 H233688 4.203 -3.151 0.562 9127TIP3 OH233689 3.742 -3.941 0.269 9127TIP3 H133690 3.759 -3.856 0.225 9127TIP3 H233691 3.708 -3.993 0.194 9128TIP3 OH233692 3.412 -3.662 0.316 9128TIP3 H133693 3.473 -3.711 0.374 9128TIP3 H233694 3.420 -3.712 0.233 9129TIP3 OH233695 3.951 -3.528 0.265 9129TIP3 H133696 4.027 -3.581 0.299 9129TIP3 H233697 3.902 -3.598 0.217 9130TIP3 OH233698 3.622 -4.056 0.685 9130TIP3 H133699 3.589 -4.001 0.612 9130TIP3 H233700 3.555 -4.036 0.753 9131TIP3 OH233701 3.916 -3.276 0.697 9131TIP3 H133702 3.843 -3.215 0.722 9131TIP3 H233703 3.981 -3.215 0.658 9132TIP3 OH233704 3.584 -3.856 0.478 9132TIP3 H133705 3.647 -3.795 0.521 9132TIP3 H233706 3.640 -3.890 0.405 9133TIP3 OH233707 3.715 -3.083 0.769 9133TIP3 H133708 3.712 -2.991 0.736 9133TIP3 H233709 3.628 -3.089 0.812 9134TIP3 OH233710 3.348 -3.112 -0.144 9134TIP3 H133711 3.327 -3.063 -0.226 9134TIP3 H233712 3.363 -3.041 -0.078 9135TIP3 OH233713 4.048 4.380 0.411 9135TIP3 H133714 4.042 4.283 0.418 9135TIP3 H233715 3.960 4.411 0.439 9136TIP3 OH233716 4.267 -3.428 -0.143 9136TIP3 H133717 4.198 -3.360 -0.152 9136TIP3 H233718 4.330 -3.400 -0.208 9137TIP3 OH233719 4.291 -3.579 -0.424 9137TIP3 H133720 4.367 -3.584 -0.364 9137TIP3 H233721 4.293 -3.662 -0.472 9138TIP3 OH233722 3.759 -3.339 0.156 9138TIP3 H133723 3.728 -3.382 0.074 9138TIP3 H233724 3.823 -3.404 0.190 9139TIP3 OH233725 3.898 -2.998 0.431 9139TIP3 H133726 3.888 -3.039 0.344 9139TIP3 H233727 3.977 -3.045 0.465 9140TIP3 OH233728 3.816 -3.457 0.504 9140TIP3 H133729 3.875 -3.459 0.427 9140TIP3 H233730 3.858 -3.391 0.562 9141TIP3 OH233731 3.904 -3.021 0.986 9141TIP3 H133732 3.851 -2.957 1.036 9141TIP3 H233733 3.840 -3.050 0.918 9142TIP3 OH233734 3.595 -3.386 0.901 9142TIP3 H133735 3.599 -3.328 0.978 9142TIP3 H233736 3.499 -3.398 0.891 9143TIP3 OH233737 4.250 -2.815 0.075 9143TIP3 H133738 4.299 -2.765 0.143 9143TIP3 H233739 4.199 -2.745 0.032 9144TIP3 OH233740 3.710 -2.802 1.071 9144TIP3 H133741 3.700 -2.803 0.974 9144TIP3 H233742 3.622 -2.833 1.102 9145TIP3 OH233743 3.650 -3.463 -0.091 9145TIP3 H133744 3.630 -3.387 -0.148 9145TIP3 H233745 3.583 -3.527 -0.119 9146TIP3 OH233746 3.257 -3.196 0.781 9146TIP3 H133747 3.212 -3.196 0.695 9146TIP3 H233748 3.269 -3.291 0.798 9147TIP3 OH233749 3.262 -2.901 0.473 9147TIP3 H133750 3.354 -2.933 0.480 9147TIP3 H233751 3.256 -2.844 0.551 9148TIP3 OH233752 4.172 -2.920 0.936 9148TIP3 H133753 4.179 -2.832 0.976 9148TIP3 H233754 4.082 -2.949 0.959 9149TIP3 OH233755 4.178 -2.534 -0.073 9149TIP3 H133756 4.204 -2.538 -0.166 9149TIP3 H233757 4.211 -2.449 -0.043 9150TIP3 OH233758 3.574 -2.622 0.092 9150TIP3 H133759 3.587 -2.670 0.177 9150TIP3 H233760 3.493 -2.664 0.060 9151TIP3 OH233761 3.474 -3.040 0.907 9151TIP3 H133762 3.502 -3.089 0.987 9151TIP3 H233763 3.401 -3.095 0.872 9152TIP3 OH233764 3.798 -4.221 0.499 9152TIP3 H133765 3.716 -4.247 0.454 9152TIP3 H233766 3.771 -4.137 0.539 9153TIP3 OH233767 4.226 -4.306 0.859 9153TIP3 H133768 4.256 -4.315 0.950 9153TIP3 H233769 4.133 -4.280 0.870 9154TIP3 OH233770 4.225 -3.988 -0.428 9154TIP3 H133771 4.164 -4.000 -0.353 9154TIP3 H233772 4.186 -4.052 -0.490 9155TIP3 OH233773 3.779 -3.714 0.624 9155TIP3 H133774 3.717 -3.703 0.698 9155TIP3 H233775 3.787 -3.624 0.587 9156TIP3 OH233776 3.774 -3.710 0.113 9156TIP3 H133777 3.679 -3.718 0.096 9156TIP3 H233778 3.810 -3.726 0.023 9157TIP3 OH233779 4.278 -3.671 0.062 9157TIP3 H133780 4.280 -3.575 0.045 9157TIP3 H233781 4.371 -3.695 0.072 9158TIP3 OH233782 4.250 -3.626 1.144 9158TIP3 H133783 4.193 -3.705 1.156 9158TIP3 H233784 4.337 -3.670 1.147 9159TIP3 OH233785 3.520 -3.697 0.806 9159TIP3 H133786 3.542 -3.668 0.895 9159TIP3 H233787 3.478 -3.784 0.823 9160TIP3 OH233788 3.859 -3.936 -0.534 9160TIP3 H133789 3.822 -3.977 -0.454 9160TIP3 H233790 3.782 -3.926 -0.591 9161TIP3 OH233791 3.197 -3.955 0.170 9161TIP3 H133792 3.254 -3.956 0.249 9161TIP3 H233793 3.253 -3.994 0.101 9162TIP3 OH233794 3.357 -3.911 -0.257 9162TIP3 H133795 3.411 -3.860 -0.322 9162TIP3 H233796 3.286 -3.847 -0.240 9163TIP3 OH233797 4.351 -3.572 0.748 9163TIP3 H133798 4.380 -3.638 0.682 9163TIP3 H233799 4.272 -3.616 0.783 9164TIP3 OH233800 4.050 -3.970 0.209 9164TIP3 H133801 3.957 -3.963 0.236 9164TIP3 H233802 4.095 -3.955 0.294 9165TIP3 OH233803 3.509 -3.826 0.082 9165TIP3 H133804 3.427 -3.799 0.036 9165TIP3 H233805 3.535 -3.908 0.035 9166TIP3 OH233806 3.869 -3.791 -0.149 9166TIP3 H133807 3.966 -3.784 -0.145 9166TIP3 H233808 3.844 -3.732 -0.222 9167TIP3 OH233809 3.722 -3.670 -0.374 9167TIP3 H133810 3.662 -3.694 -0.446 9167TIP3 H233811 3.804 -3.654 -0.424 9168TIP3 OH233812 3.582 -3.193 1.124 9168TIP3 H133813 3.650 -3.186 1.195 9168TIP3 H233814 3.502 -3.197 1.180 9169TIP3 OH233815 4.139 -3.734 0.356 9169TIP3 H133816 4.216 -3.765 0.309 9169TIP3 H233817 4.165 -3.746 0.449 9170TIP3 OH233818 3.667 -4.066 0.020 9170TIP3 H133819 3.621 -4.151 0.031 9170TIP3 H233820 3.751 -4.094 -0.020 9171TIP3 OH233821 4.049 -3.859 0.628 9171TIP3 H133822 3.980 -3.793 0.609 9171TIP3 H233823 4.100 -3.815 0.698 9172TIP3 OH233824 4.073 -3.225 -0.185 9172TIP3 H133825 3.994 -3.270 -0.222 9172TIP3 H233826 4.049 -3.214 -0.090 9173TIP3 OH233827 4.205 -3.224 0.938 9173TIP3 H133828 4.184 -3.234 1.031 9173TIP3 H233829 4.214 -3.128 0.927 9174TIP3 OH233830 3.580 -3.270 0.393 9174TIP3 H133831 3.635 -3.281 0.314 9174TIP3 H233832 3.589 -3.356 0.437 9175TIP3 OH233833 4.286 -3.082 -0.289 9175TIP3 H133834 4.260 -2.993 -0.259 9175TIP3 H233835 4.211 -3.135 -0.256 9176TIP3 OH233836 3.303 -3.443 0.920 9176TIP3 H133837 3.319 -3.489 1.005 9176TIP3 H233838 3.244 -3.504 0.873 9177TIP3 OH233839 4.002 -3.492 1.122 9177TIP3 H133840 3.966 -3.523 1.037 9177TIP3 H233841 4.095 -3.518 1.112 9178TIP3 OH233842 3.815 -2.942 0.119 9178TIP3 H133843 3.858 -2.856 0.106 9178TIP3 H233844 3.723 -2.923 0.094 9179TIP3 OH233845 3.415 -3.463 -0.420 9179TIP3 H133846 3.473 -3.394 -0.381 9179TIP3 H233847 3.328 -3.435 -0.388 9180TIP3 OH233848 3.995 -3.174 0.079 9180TIP3 H133849 3.968 -3.082 0.095 9180TIP3 H233850 3.924 -3.223 0.122 9181TIP3 OH233851 4.020 -2.743 0.721 9181TIP3 H133852 4.079 -2.673 0.686 9181TIP3 H233853 4.083 -2.798 0.769 9182TIP3 OH233854 3.859 -2.652 0.041 9182TIP3 H133855 3.763 -2.637 0.049 9182TIP3 H233856 3.895 -2.564 0.063 9183TIP3 OH233857 3.437 -3.961 0.879 9183TIP3 H133858 3.346 -3.943 0.847 9183TIP3 H233859 3.422 -4.047 0.922 9184TIP3 OH233860 3.414 -2.802 0.721 9184TIP3 H133861 3.440 -2.894 0.735 9184TIP3 H233862 3.435 -2.765 0.808 9185TIP3 OH233863 3.994 -2.933 -0.577 9185TIP3 H133864 4.030 -3.010 -0.626 9185TIP3 H233865 3.957 -2.977 -0.499 9186TIP3 OH233866 3.887 -2.990 -0.303 9186TIP3 H133867 3.934 -3.040 -0.235 9186TIP3 H233868 3.899 -2.898 -0.272 9187TIP3 OH233869 3.567 -3.241 -0.266 9187TIP3 H133870 3.493 -3.203 -0.214 9187TIP3 H233871 3.612 -3.160 -0.295 9188TIP3 OH233872 4.330 -3.929 0.794 9188TIP3 H133873 4.391 -4.003 0.782 9188TIP3 H233874 4.269 -3.954 0.722 9189TIP3 OH233875 4.169 -2.822 -0.249 9189TIP3 H133876 4.088 -2.773 -0.229 9189TIP3 H233877 4.209 -2.769 -0.318 9190TIP3 OH233878 4.133 -3.868 -0.042 9190TIP3 H133879 4.195 -3.796 -0.014 9190TIP3 H233880 4.097 -3.889 0.046 9191TIP3 OH233881 4.147 -3.763 0.891 9191TIP3 H133882 4.184 -3.702 0.956 9191TIP3 H233883 4.221 -3.826 0.876 9192TIP3 OH233884 4.203 -4.171 0.088 9192TIP3 H133885 4.170 -4.084 0.121 9192TIP3 H233886 4.269 -4.146 0.021 9193TIP3 OH233887 3.895 -2.717 -0.244 9193TIP3 H133888 3.889 -2.636 -0.298 9193TIP3 H233889 3.882 -2.682 -0.154 9194TIP3 OH233890 3.766 -4.050 -0.292 9194TIP3 H133891 3.767 -3.968 -0.240 9194TIP3 H233892 3.855 -4.084 -0.272 9195TIP3 OH233893 3.611 -2.961 -0.389 9195TIP3 H133894 3.685 -2.911 -0.349 9195TIP3 H233895 3.659 -3.010 -0.456 9196TIP3 OH233896 3.424 -3.743 -0.479 9196TIP3 H133897 3.436 -3.649 -0.456 9196TIP3 H233898 3.337 -3.743 -0.520 9197TIP3 OH233899 3.435 -4.242 0.417 9197TIP3 H133900 3.476 -4.243 0.330 9197TIP3 H233901 3.457 -4.332 0.446 9198TIP3 OH233902 3.407 -2.888 0.029 9198TIP3 H133903 3.327 -2.838 0.052 9198TIP3 H233904 3.441 -2.836 -0.045 9199TIP3 OH233905 3.346 -2.597 1.140 9199TIP3 H133906 3.404 -2.625 1.213 9199TIP3 H233907 3.307 -2.682 1.112 9200TIP3 OH233908 3.818 -2.689 1.319 9200TIP3 H133909 3.882 -2.758 1.342 9200TIP3 H233910 3.790 -2.718 1.231 9201TIP3 OH233911 4.230 -2.768 -0.544 9201TIP3 H133912 4.147 -2.820 -0.545 9201TIP3 H233913 4.294 -2.841 -0.559 9202TIP3 OH233914 3.341 -3.235 1.254 9202TIP3 H133915 3.350 -3.326 1.221 9202TIP3 H233916 3.264 -3.204 1.203 9203TIP3 OH233917 3.763 -3.192 -0.543 9203TIP3 H133918 3.779 -3.251 -0.468 9203TIP3 H233919 3.848 -3.196 -0.589 9204TIP3 OH233920 4.007 -3.214 1.187 9204TIP3 H133921 3.979 -3.182 1.099 9204TIP3 H233922 4.015 -3.310 1.173 9205TIP3 OH233923 4.261 -3.060 -0.589 9205TIP3 H133924 4.278 -3.050 -0.494 9205TIP3 H233925 4.242 -3.155 -0.595 9206TIP3 OH233926 3.428 -3.522 1.172 9206TIP3 H133927 3.502 -3.585 1.173 9206TIP3 H233928 3.422 -3.500 1.266 9207TIP3 OH233929 3.871 -3.386 -0.312 9207TIP3 H133930 3.809 -3.436 -0.257 9207TIP3 H233931 3.902 -3.457 -0.373 9208TIP3 OH233932 3.797 -3.604 0.920 9208TIP3 H133933 3.739 -3.527 0.934 9208TIP3 H233934 3.852 -3.574 0.846 9209TIP3 OH233935 3.979 -3.585 -0.481 9209TIP3 H133936 3.969 -3.579 -0.578 9209TIP3 H233937 4.074 -3.572 -0.471 9210TIP3 OH233938 4.283 -3.359 1.287 9210TIP3 H133939 4.353 -3.389 1.228 9210TIP3 H233940 4.266 -3.440 1.337 9211TIP3 OH233941 3.853 -3.879 1.029 9211TIP3 H133942 3.863 -3.942 0.957 9211TIP3 H233943 3.840 -3.796 0.980 9212TIP3 OH233944 3.891 -4.037 0.767 9212TIP3 H133945 3.942 -3.978 0.708 9212TIP3 H233946 3.800 -4.025 0.734 9213TIP3 OH233947 4.068 -3.493 0.804 9213TIP3 H133948 4.136 -3.491 0.736 9213TIP3 H233949 4.029 -3.405 0.793 9214TIP3 OH233950 3.675 -3.698 1.212 9214TIP3 H133951 3.622 -3.780 1.209 9214TIP3 H233952 3.754 -3.725 1.162 9215TIP3 OH233953 3.934 -4.272 0.893 9215TIP3 H133954 3.944 -4.183 0.852 9215TIP3 H233955 3.844 -4.291 0.865 9216TIP3 OH233956 4.106 -3.856 1.184 9216TIP3 H133957 4.069 -3.887 1.268 9216TIP3 H233958 4.031 -3.875 1.124 9217TIP3 OH233959 3.552 -3.959 1.196 9217TIP3 H133960 3.526 -4.020 1.124 9217TIP3 H233961 3.507 -3.998 1.273 9218TIP3 OH233962 4.054 -4.146 1.300 9218TIP3 H133963 4.028 -4.228 1.255 9218TIP3 H233964 3.970 -4.096 1.303 9219TIP3 OH233965 3.956 -2.458 -0.369 9219TIP3 H133966 4.053 -2.456 -0.369 9219TIP3 H233967 3.937 -2.417 -0.454 9220TIP3 OH233968 3.335 -3.021 -0.419 9220TIP3 H133969 3.430 -3.002 -0.408 9220TIP3 H233970 3.335 -3.098 -0.479 9221TIP3 OH233971 3.234 -2.500 0.051 9221TIP3 H133972 3.163 -2.537 -0.004 9221TIP3 H233973 3.242 -2.569 0.121 9222TIP3 OH233974 3.273 -2.698 0.251 9222TIP3 H133975 3.243 -2.786 0.281 9222TIP3 H233976 3.305 -2.663 0.335 9223TIP3 OH233977 3.280 -3.364 0.491 9223TIP3 H133978 3.305 -3.359 0.397 9223TIP3 H233979 3.367 -3.386 0.531 9224TIP3 OH233980 3.267 -3.836 1.147 9224TIP3 H133981 3.358 -3.859 1.125 9224TIP3 H233982 3.222 -3.921 1.140 9225TIP3 OH233983 3.341 -3.990 0.412 9225TIP3 H133984 3.372 -4.082 0.421 9225TIP3 H233985 3.417 -3.940 0.448 9226TIP3 OH233986 3.202 -3.728 0.515 9226TIP3 H133987 3.261 -3.733 0.438 9226TIP3 H233988 3.240 -3.652 0.562 9227TIP3 OH233989 3.256 -4.103 -0.080 9227TIP3 H133990 3.161 -4.094 -0.099 9227TIP3 H233991 3.295 -4.034 -0.137 9228TIP3 OH233992 3.233 -4.126 0.773 9228TIP3 H133993 3.233 -4.221 0.799 9228TIP3 H233994 3.213 -4.134 0.678 9229TIP3 OH233995 3.456 -2.892 1.205 9229TIP3 H133996 3.384 -2.900 1.140 9229TIP3 H233997 3.408 -2.903 1.289 9230TIP3 OH233998 3.740 -2.797 0.772 9230TIP3 H133999 3.710 -2.713 0.736 9230TIP3 H234000 3.836 -2.789 0.755 9231TIP3 OH234001 4.219 -2.633 1.062 9231TIP3 H134002 4.205 -2.672 1.150 9231TIP3 H234003 4.314 -2.614 1.067 9232TIP3 OH234004 3.480 -2.498 0.806 9232TIP3 H134005 3.417 -2.440 0.760 9232TIP3 H234006 3.439 -2.504 0.893 9233TIP3 OH234007 3.730 -2.522 0.665 9233TIP3 H134008 3.643 -2.507 0.707 9233TIP3 H234009 3.730 -2.457 0.592 9234TIP3 OH234010 4.195 -2.548 0.618 9234TIP3 H134011 4.178 -2.500 0.535 9234TIP3 H234012 4.258 -2.490 0.663 9235TIP3 OH234013 3.438 -2.621 0.502 9235TIP3 H134014 3.434 -2.673 0.585 9235TIP3 H234015 3.510 -2.668 0.455 9236TIP3 OH234016 3.636 -2.747 0.345 9236TIP3 H134017 3.621 -2.841 0.369 9236TIP3 H234018 3.728 -2.734 0.375 9237TIP3 OH234019 3.913 -2.698 0.432 9237TIP3 H134020 3.935 -2.790 0.408 9237TIP3 H234021 3.921 -2.703 0.529 9238TIP3 OH234022 4.258 -4.142 0.369 9238TIP3 H134023 4.180 -4.198 0.385 9238TIP3 H234024 4.288 -4.176 0.284 9239TIP3 OH234025 3.478 -4.282 0.093 9239TIP3 H134026 3.387 -4.306 0.072 9239TIP3 H234027 3.513 -4.365 0.127 9240TIP3 OH234028 3.337 -4.291 -0.282 9240TIP3 H134029 3.383 -4.245 -0.354 9240TIP3 H234030 3.302 -4.216 -0.230 9241TIP3 OH234031 3.934 -4.248 0.100 9241TIP3 H134032 4.029 -4.225 0.105 9241TIP3 H234033 3.919 -4.288 0.186 9242TIP3 OH234034 3.381 -2.696 -0.177 9242TIP3 H134035 3.316 -2.710 -0.248 9242TIP3 H234036 3.378 -2.599 -0.170 9243TIP3 OH234037 3.529 -4.124 -0.442 9243TIP3 H134038 3.599 -4.163 -0.497 9243TIP3 H234039 3.582 -4.074 -0.378 9244TIP3 OH234040 4.053 -4.063 -0.217 9244TIP3 H134041 4.065 -4.149 -0.172 9244TIP3 H234042 4.064 -3.998 -0.145 9245TIP3 OH234043 4.263 -2.532 -0.369 9245TIP3 H134044 4.352 -2.495 -0.387 9245TIP3 H234045 4.249 -2.591 -0.445 9246TIP3 OH234046 3.441 -4.178 1.041 9246TIP3 H134047 3.395 -4.258 1.071 9246TIP3 H234048 3.529 -4.216 1.026 9247TIP3 OH234049 3.733 -4.278 1.305 9247TIP3 H134050 3.820 -4.304 1.267 9247TIP3 H234051 3.708 -4.359 1.351 9248TIP3 OH234052 3.524 -2.602 -0.497 9248TIP3 H134053 3.498 -2.574 -0.408 9248TIP3 H234054 3.600 -2.659 -0.481 9249TIP3 OH234055 -3.162 -1.481 0.142 9249TIP3 H134056 -3.157 -1.385 0.157 9249TIP3 H234057 -3.242 -1.487 0.090 9250TIP3 OH234058 -3.266 -1.533 0.451 9250TIP3 H134059 -3.265 -1.585 0.534 9250TIP3 H234060 -3.288 -1.599 0.384 9251TIP3 OH234061 -4.031 -1.577 0.619 9251TIP3 H134062 -4.030 -1.651 0.682 9251TIP3 H234063 -3.956 -1.524 0.650 9252TIP3 OH234064 -2.904 -1.249 0.301 9252TIP3 H134065 -2.936 -1.315 0.363 9252TIP3 H234066 -2.893 -1.172 0.357 9253TIP3 OH234067 -3.958 -1.116 0.470 9253TIP3 H134068 -3.982 -1.205 0.439 9253TIP3 H234069 -3.861 -1.126 0.480 9254TIP3 OH234070 -4.297 -1.737 0.068 9254TIP3 H134071 -4.300 -1.653 0.117 9254TIP3 H234072 -4.389 -1.762 0.059 9255TIP3 OH234073 -4.211 -1.517 0.202 9255TIP3 H134074 -4.176 -1.590 0.258 9255TIP3 H234075 -4.129 -1.480 0.167 9256TIP3 OH234076 -3.419 -1.290 0.514 9256TIP3 H134077 -3.380 -1.361 0.460 9256TIP3 H234078 -3.338 -1.267 0.565 9257TIP3 OH234079 -2.558 -2.131 0.565 9257TIP3 H134080 -2.533 -2.078 0.643 9257TIP3 H234081 -2.487 -2.108 0.502 9258TIP3 OH234082 -3.099 -1.854 0.559 9258TIP3 H134083 -3.082 -1.949 0.562 9258TIP3 H234084 -3.104 -1.838 0.463 9259TIP3 OH234085 -3.803 -2.052 0.267 9259TIP3 H134086 -3.784 -1.966 0.222 9259TIP3 H234087 -3.834 -2.105 0.191 9260TIP3 OH234088 -3.013 -2.034 0.098 9260TIP3 H134089 -2.958 -2.075 0.168 9260TIP3 H234090 -2.944 -1.992 0.044 9261TIP3 OH234091 -4.140 -1.775 0.328 9261TIP3 H134092 -4.074 -1.821 0.382 9261TIP3 H234093 -4.128 -1.819 0.242 9262TIP3 OH234094 -3.592 -1.638 0.261 9262TIP3 H134095 -3.521 -1.691 0.302 9262TIP3 H234096 -3.644 -1.707 0.216 9263TIP3 OH234097 -2.504 -2.005 0.811 9263TIP3 H134098 -2.526 -1.914 0.787 9263TIP3 H234099 -2.488 -1.994 0.905 9264TIP3 OH234100 -3.920 -2.171 0.683 9264TIP3 H134101 -3.962 -2.125 0.610 9264TIP3 H234102 -3.981 -2.152 0.757 9265TIP3 OH234103 -3.173 -1.204 0.025 9265TIP3 H134104 -3.211 -1.214 -0.061 9265TIP3 H234105 -3.202 -1.114 0.050 9266TIP3 OH234106 -3.628 -1.385 0.694 9266TIP3 H134107 -3.698 -1.320 0.716 9266TIP3 H234108 -3.561 -1.329 0.650 9267TIP3 OH234109 -2.832 -2.104 0.307 9267TIP3 H134110 -2.864 -2.164 0.375 9267TIP3 H234111 -2.768 -2.050 0.357 9268TIP3 OH234112 -3.959 -1.965 0.475 9268TIP3 H134113 -3.894 -1.909 0.522 9268TIP3 H234114 -3.901 -2.002 0.405 9269TIP3 OH234115 -3.829 -1.197 0.769 9269TIP3 H134116 -3.827 -1.109 0.727 9269TIP3 H234117 -3.918 -1.196 0.809 9270TIP3 OH234118 -4.185 -1.237 -0.147 9270TIP3 H134119 -4.268 -1.217 -0.195 9270TIP3 H234120 -4.186 -1.171 -0.075 9271TIP3 OH234121 -2.815 -2.198 0.683 9271TIP3 H134122 -2.891 -2.156 0.639 9271TIP3 H234123 -2.741 -2.174 0.624 9272TIP3 OH234124 -3.506 -2.423 0.389 9272TIP3 H134125 -3.527 -2.519 0.386 9272TIP3 H234126 -3.588 -2.386 0.428 9273TIP3 OH234127 -2.865 -1.087 0.029 9273TIP3 H134128 -2.936 -1.139 -0.008 9273TIP3 H234129 -2.879 -1.102 0.124 9274TIP3 OH234130 -3.320 -1.481 -0.153 9274TIP3 H134131 -3.369 -1.507 -0.231 9274TIP3 H234132 -3.228 -1.501 -0.181 9275TIP3 OH234133 -3.277 -1.708 -0.422 9275TIP3 H134134 -3.203 -1.680 -0.365 9275TIP3 H234135 -3.230 -1.769 -0.481 9276TIP3 OH234136 -2.948 -1.534 -0.024 9276TIP3 H134137 -3.009 -1.508 0.049 9276TIP3 H234138 -2.880 -1.583 0.027 9277TIP3 OH234139 -2.958 -1.680 0.863 9277TIP3 H134140 -2.964 -1.610 0.930 9277TIP3 H234141 -3.010 -1.641 0.791 9278TIP3 OH234142 -3.791 -1.458 0.154 9278TIP3 H134143 -3.810 -1.502 0.069 9278TIP3 H234144 -3.719 -1.512 0.190 9279TIP3 OH234145 -3.668 -1.130 0.439 9279TIP3 H134146 -3.654 -1.132 0.343 9279TIP3 H234147 -3.576 -1.137 0.471 9280TIP3 OH234148 -3.729 -1.568 0.504 9280TIP3 H134149 -3.670 -1.565 0.426 9280TIP3 H234150 -3.688 -1.502 0.563 9281TIP3 OH234151 -3.647 -1.144 0.993 9281TIP3 H134152 -3.695 -1.069 1.033 9281TIP3 H234153 -3.704 -1.165 0.916 9282TIP3 OH234154 -3.065 -1.575 -0.273 9282TIP3 H134155 -3.011 -1.556 -0.193 9282TIP3 H234156 -3.009 -1.531 -0.342 9283TIP3 OH234157 -3.957 -1.506 0.906 9283TIP3 H134158 -3.946 -1.443 0.979 9283TIP3 H234159 -4.053 -1.506 0.893 9284TIP3 OH234160 -3.283 -0.916 0.082 9284TIP3 H134161 -3.227 -0.893 0.158 9284TIP3 H234162 -3.344 -0.841 0.079 9285TIP3 OH234163 -3.836 -0.919 1.073 9285TIP3 H134164 -3.838 -0.912 0.976 9285TIP3 H234165 -3.927 -0.942 1.096 9286TIP3 OH234166 -2.706 -2.408 -0.331 9286TIP3 H134167 -2.790 -2.400 -0.282 9286TIP3 H234168 -2.668 -2.319 -0.321 9287TIP3 OH234169 -3.871 -1.571 -0.096 9287TIP3 H134170 -3.905 -1.497 -0.148 9287TIP3 H234171 -3.934 -1.641 -0.119 9288TIP3 OH234172 -4.273 -1.296 0.762 9288TIP3 H134173 -4.288 -1.328 0.671 9288TIP3 H234174 -4.301 -1.374 0.813 9289TIP3 OH234175 -4.285 -1.023 0.462 9289TIP3 H134176 -4.195 -1.056 0.474 9289TIP3 H234177 -4.296 -0.965 0.538 9290TIP3 OH234178 -3.375 -1.040 0.938 9290TIP3 H134179 -3.372 -0.950 0.972 9290TIP3 H234180 -3.469 -1.064 0.951 9291TIP3 OH234181 -3.359 -0.650 -0.082 9291TIP3 H134182 -3.339 -0.632 -0.175 9291TIP3 H234183 -3.343 -0.565 -0.038 9292TIP3 OH234184 -3.979 -0.742 0.097 9292TIP3 H134185 -3.945 -0.777 0.182 9292TIP3 H234186 -4.059 -0.795 0.086 9293TIP3 OH234187 -3.015 -0.713 -0.356 9293TIP3 H134188 -2.970 -0.790 -0.395 9293TIP3 H234189 -3.013 -0.736 -0.260 9294TIP3 OH234190 -3.066 -0.759 -0.070 9294TIP3 H134191 -3.159 -0.757 -0.043 9294TIP3 H234192 -3.029 -0.810 0.004 9295TIP3 OH234193 -2.798 -1.833 1.098 9295TIP3 H134194 -2.817 -1.787 1.016 9295TIP3 H234195 -2.770 -1.921 1.066 9296TIP3 OH234196 -4.076 -1.154 0.917 9296TIP3 H134197 -4.040 -1.217 0.981 9296TIP3 H234198 -4.147 -1.204 0.872 9297TIP3 OH234199 -3.749 -2.310 0.483 9297TIP3 H134200 -3.831 -2.317 0.432 9297TIP3 H234201 -3.770 -2.235 0.541 9298TIP3 OH234202 -3.311 -2.351 0.849 9298TIP3 H134203 -3.257 -2.404 0.911 9298TIP3 H234204 -3.401 -2.387 0.860 9299TIP3 OH234205 -2.999 -1.975 0.889 9299TIP3 H134206 -3.048 -1.986 0.972 9299TIP3 H234207 -2.994 -1.878 0.879 9300TIP3 OH234208 -2.900 -1.479 -0.476 9300TIP3 H134209 -2.914 -1.502 -0.569 9300TIP3 H234210 -2.805 -1.458 -0.477 9301TIP3 OH234211 -3.335 -2.095 -0.427 9301TIP3 H134212 -3.377 -2.115 -0.342 9301TIP3 H234213 -3.369 -2.167 -0.482 9302TIP3 OH234214 -3.766 -1.829 0.620 9302TIP3 H134215 -3.815 -1.814 0.702 9302TIP3 H234216 -3.752 -1.738 0.587 9303TIP3 OH234217 -3.773 -1.822 0.110 9303TIP3 H134218 -3.868 -1.835 0.092 9303TIP3 H234219 -3.735 -1.840 0.022 9304TIP3 OH234220 -3.214 -1.758 -0.019 9304TIP3 H134221 -3.254 -1.677 -0.052 9304TIP3 H234222 -3.138 -1.770 -0.078 9305TIP3 OH234223 -3.288 -1.743 1.130 9305TIP3 H134224 -3.339 -1.821 1.159 9305TIP3 H234225 -3.200 -1.762 1.166 9306TIP3 OH234226 -3.127 -1.827 0.266 9306TIP3 H134227 -3.149 -1.766 0.193 9306TIP3 H234228 -3.099 -1.905 0.213 9307TIP3 OH234229 -4.036 -1.811 0.811 9307TIP3 H134230 -3.990 -1.777 0.888 9307TIP3 H234231 -4.050 -1.904 0.835 9308TIP3 OH234232 -3.690 -2.041 -0.529 9308TIP3 H134233 -3.724 -2.088 -0.451 9308TIP3 H234234 -3.765 -2.041 -0.589 9309TIP3 OH234235 -4.327 -2.051 0.167 9309TIP3 H134236 -4.308 -2.072 0.260 9309TIP3 H234237 -4.280 -2.122 0.122 9310TIP3 OH234238 -4.199 -2.018 -0.242 9310TIP3 H134239 -4.146 -1.990 -0.320 9310TIP3 H234240 -4.283 -1.974 -0.261 9311TIP3 OH234241 -3.220 -1.662 0.712 9311TIP3 H134242 -3.168 -1.727 0.662 9311TIP3 H234243 -3.240 -1.711 0.793 9312TIP3 OH234244 -3.492 -2.063 0.213 9312TIP3 H134245 -3.585 -2.069 0.241 9312TIP3 H234246 -3.445 -2.079 0.297 9313TIP3 OH234247 -4.036 -1.934 0.072 9313TIP3 H134248 -4.127 -1.932 0.040 9313TIP3 H234249 -4.003 -2.019 0.038 9314TIP3 OH234250 -3.672 -1.908 -0.151 9314TIP3 H134251 -3.576 -1.903 -0.140 9314TIP3 H234252 -3.693 -1.840 -0.217 9315TIP3 OH234253 -3.052 -2.149 0.518 9315TIP3 H134254 -3.117 -2.148 0.591 9315TIP3 H234255 -3.108 -2.181 0.446 9316TIP3 OH234256 -3.835 -1.772 -0.374 9316TIP3 H134257 -3.882 -1.815 -0.447 9316TIP3 H234258 -3.749 -1.754 -0.414 9317TIP3 OH234259 -2.752 -0.555 1.165 9317TIP3 H134260 -2.722 -0.521 1.080 9317TIP3 H234261 -2.672 -0.547 1.219 9318TIP3 OH234262 -3.956 -1.314 1.125 9318TIP3 H134263 -3.889 -1.308 1.197 9318TIP3 H234264 -4.037 -1.297 1.178 9319TIP3 OH234265 -3.392 -1.810 0.393 9319TIP3 H134266 -3.312 -1.843 0.351 9319TIP3 H234267 -3.401 -1.869 0.471 9320TIP3 OH234268 -3.873 -2.172 0.021 9320TIP3 H134269 -3.914 -2.259 0.026 9320TIP3 H234270 -3.790 -2.192 -0.025 9321TIP3 OH234271 -3.495 -1.968 0.623 9321TIP3 H134272 -3.567 -1.902 0.622 9321TIP3 H234273 -3.442 -1.941 0.700 9322TIP3 OH234274 -3.062 -2.042 -0.410 9322TIP3 H134275 -3.160 -2.040 -0.414 9322TIP3 H234276 -3.040 -1.968 -0.349 9323TIP3 OH234277 -3.321 -1.332 0.939 9323TIP3 H134278 -3.341 -1.350 1.031 9323TIP3 H234279 -3.328 -1.235 0.934 9324TIP3 OH234280 -2.996 -1.855 -0.208 9324TIP3 H134281 -2.912 -1.876 -0.162 9324TIP3 H234282 -2.975 -1.770 -0.251 9325TIP3 OH234283 -3.979 -1.396 0.380 9325TIP3 H134284 -3.909 -1.397 0.312 9325TIP3 H234285 -3.956 -1.474 0.433 9326TIP3 OH234286 -3.267 -1.202 -0.305 9326TIP3 H134287 -3.281 -1.111 -0.269 9326TIP3 H234288 -3.301 -1.258 -0.234 9327TIP3 OH234289 -4.245 -1.539 0.949 9327TIP3 H134290 -4.228 -1.606 1.017 9327TIP3 H234291 -4.289 -1.592 0.878 9328TIP3 OH234292 -3.542 -1.610 1.118 9328TIP3 H134293 -3.571 -1.629 1.027 9328TIP3 H234294 -3.448 -1.635 1.111 9329TIP3 OH234295 -3.072 -1.090 0.922 9329TIP3 H134296 -3.145 -1.057 0.869 9329TIP3 H234297 -3.066 -1.027 0.994 9330TIP3 OH234298 -2.559 -1.842 -0.214 9330TIP3 H134299 -2.597 -1.868 -0.299 9330TIP3 H234300 -2.543 -1.747 -0.231 9331TIP3 OH234301 -2.720 -1.009 -0.265 9331TIP3 H134302 -2.738 -1.043 -0.175 9331TIP3 H234303 -2.626 -1.027 -0.275 9332TIP3 OH234304 -2.981 -1.474 0.554 9332TIP3 H134305 -3.068 -1.481 0.511 9332TIP3 H234306 -2.924 -1.527 0.496 9333TIP3 OH234307 -3.728 -1.057 0.117 9333TIP3 H134308 -3.679 -0.974 0.118 9333TIP3 H234309 -3.817 -1.027 0.097 9334TIP3 OH234310 -4.154 -1.562 -0.408 9334TIP3 H134311 -4.086 -1.503 -0.370 9334TIP3 H234312 -4.235 -1.513 -0.389 9335TIP3 OH234313 -3.555 -1.288 0.028 9335TIP3 H134314 -3.562 -1.198 0.065 9335TIP3 H234315 -3.598 -1.339 0.098 9336TIP3 OH234316 -3.527 -0.858 0.730 9336TIP3 H134317 -3.496 -0.804 0.656 9336TIP3 H234318 -3.448 -0.908 0.753 9337TIP3 OH234319 -3.685 -0.768 0.016 9337TIP3 H134320 -3.774 -0.749 0.048 9337TIP3 H234321 -3.631 -0.717 0.079 9338TIP3 OH234322 -3.184 -1.285 0.662 9338TIP3 H134323 -3.191 -1.283 0.758 9338TIP3 H234324 -3.096 -1.322 0.648 9339TIP3 OH234325 -2.970 -1.160 -0.426 9339TIP3 H134326 -2.923 -1.199 -0.350 9339TIP3 H234327 -3.061 -1.182 -0.402 9340TIP3 OH234328 -4.101 -2.084 0.884 9340TIP3 H134329 -4.188 -2.045 0.864 9340TIP3 H234330 -4.122 -2.170 0.926 9341TIP3 OH234331 -2.861 -1.295 -0.198 9341TIP3 H134332 -2.887 -1.360 -0.131 9341TIP3 H234333 -2.768 -1.280 -0.175 9342TIP3 OH234334 -4.134 -0.913 0.728 9342TIP3 H134335 -4.105 -1.005 0.732 9342TIP3 H234336 -4.090 -0.877 0.807 9343TIP3 OH234337 -3.558 -1.053 -0.563 9343TIP3 H134338 -3.518 -1.125 -0.615 9343TIP3 H234339 -3.558 -1.089 -0.474 9344TIP3 OH234340 -3.978 -1.348 -0.273 9344TIP3 H134341 -4.054 -1.321 -0.216 9344TIP3 H234342 -3.945 -1.258 -0.296 9345TIP3 OH234343 -3.213 -2.108 0.736 9345TIP3 H134344 -3.147 -2.079 0.801 9345TIP3 H234345 -3.257 -2.182 0.781 9346TIP3 OH234346 -3.149 -2.160 -0.139 9346TIP3 H134347 -3.123 -2.110 -0.218 9346TIP3 H234348 -3.099 -2.115 -0.069 9347TIP3 OH234349 -3.371 -0.949 -0.260 9347TIP3 H134350 -3.438 -0.897 -0.213 9347TIP3 H234351 -3.315 -0.878 -0.296 9348TIP3 OH234352 -3.408 -1.960 -0.044 9348TIP3 H134353 -3.329 -1.904 -0.031 9348TIP3 H234354 -3.432 -1.982 0.049 9349TIP3 OH234355 -3.375 -1.879 0.876 9349TIP3 H134356 -3.362 -1.822 0.953 9349TIP3 H234357 -3.313 -1.951 0.892 9350TIP3 OH234358 -3.348 -2.263 0.048 9350TIP3 H134359 -3.364 -2.197 0.118 9350TIP3 H234360 -3.272 -2.223 0.001 9351TIP3 OH234361 -3.669 -0.855 -0.259 9351TIP3 H134362 -3.657 -0.770 -0.305 9351TIP3 H234363 -3.669 -0.826 -0.165 9352TIP3 OH234364 -3.774 -2.163 -0.292 9352TIP3 H134365 -3.764 -2.082 -0.237 9352TIP3 H234366 -3.692 -2.212 -0.267 9353TIP3 OH234367 -2.745 -2.072 0.965 9353TIP3 H134368 -2.838 -2.064 0.936 9353TIP3 H234369 -2.702 -2.087 0.878 9354TIP3 OH234370 -2.886 -1.691 0.363 9354TIP3 H134371 -2.968 -1.738 0.340 9354TIP3 H234372 -2.833 -1.761 0.409 9355TIP3 OH234373 -3.905 -1.084 -0.369 9355TIP3 H134374 -3.853 -1.005 -0.343 9355TIP3 H234375 -3.862 -1.108 -0.451 9356TIP3 OH234376 -4.114 -1.859 -0.474 9356TIP3 H134377 -4.112 -1.765 -0.451 9356TIP3 H234378 -4.196 -1.870 -0.522 9357TIP3 OH234379 -4.030 -2.359 0.398 9357TIP3 H134380 -4.058 -2.364 0.305 9357TIP3 H234381 -4.068 -2.442 0.435 9358TIP3 OH234382 -4.141 -1.004 0.022 9358TIP3 H134383 -4.227 -0.959 0.030 9358TIP3 H234384 -4.099 -0.954 -0.049 9359TIP3 OH234385 -4.215 -0.719 1.148 9359TIP3 H134386 -4.151 -0.720 1.222 9359TIP3 H234387 -4.214 -0.814 1.130 9360TIP3 OH234388 -3.722 -0.806 1.325 9360TIP3 H134389 -3.655 -0.875 1.339 9360TIP3 H234390 -3.749 -0.827 1.234 9361TIP3 OH234391 -3.309 -0.883 -0.550 9361TIP3 H134392 -3.390 -0.934 -0.533 9361TIP3 H234393 -3.248 -0.956 -0.569 9362TIP3 OH234394 -3.073 -0.957 1.214 9362TIP3 H134395 -3.108 -1.048 1.217 9362TIP3 H234396 -2.982 -0.971 1.242 9363TIP3 OH234397 -2.877 -0.910 -0.566 9363TIP3 H134398 -2.864 -0.964 -0.487 9363TIP3 H234399 -2.790 -0.867 -0.578 9364TIP3 OH234400 -4.203 -1.316 1.217 9364TIP3 H134401 -4.185 -1.401 1.174 9364TIP3 H234402 -4.283 -1.286 1.171 9365TIP3 OH234403 -3.738 -1.327 -0.493 9365TIP3 H134404 -3.792 -1.406 -0.510 9365TIP3 H234405 -3.690 -1.316 -0.578 9366TIP3 OH234406 -3.542 -1.331 1.191 9366TIP3 H134407 -3.564 -1.294 1.104 9366TIP3 H234408 -3.530 -1.426 1.172 9367TIP3 OH234409 -3.265 -1.170 -0.585 9367TIP3 H134410 -3.254 -1.176 -0.489 9367TIP3 H234411 -3.253 -1.265 -0.609 9368TIP3 OH234412 -4.136 -1.647 1.187 9368TIP3 H134413 -4.055 -1.699 1.173 9368TIP3 H234414 -4.121 -1.614 1.276 9369TIP3 OH234415 -3.755 -1.724 0.909 9369TIP3 H134416 -3.803 -1.642 0.932 9369TIP3 H234417 -3.682 -1.689 0.855 9370TIP3 OH234418 -3.563 -1.639 -0.461 9370TIP3 H134419 -3.582 -1.660 -0.554 9370TIP3 H234420 -3.473 -1.674 -0.452 9371TIP3 OH234421 -3.214 -1.450 1.276 9371TIP3 H134422 -3.129 -1.466 1.234 9371TIP3 H234423 -3.240 -1.538 1.306 9372TIP3 OH234424 -2.638 -1.443 -0.557 9372TIP3 H134425 -2.638 -1.482 -0.646 9372TIP3 H234426 -2.599 -1.357 -0.574 9373TIP3 OH234427 -3.695 -1.995 1.031 9373TIP3 H134428 -3.682 -2.060 0.959 9373TIP3 H234429 -3.709 -1.913 0.980 9374TIP3 OH234430 -3.657 -2.146 0.776 9374TIP3 H134431 -3.602 -2.094 0.713 9374TIP3 H234432 -3.747 -2.142 0.736 9375TIP3 OH234433 -3.504 -1.604 0.815 9375TIP3 H134434 -3.417 -1.612 0.771 9375TIP3 H234435 -3.531 -1.515 0.784 9376TIP3 OH234436 -3.040 -1.804 1.299 9376TIP3 H134437 -3.022 -1.899 1.296 9376TIP3 H234438 -2.951 -1.770 1.284 9377TIP3 OH234439 -2.918 -1.494 1.107 9377TIP3 H134440 -2.937 -1.422 1.045 9377TIP3 H234441 -2.827 -1.517 1.083 9378TIP3 OH234442 -3.883 -1.803 1.205 9378TIP3 H134443 -3.930 -1.888 1.206 9378TIP3 H234444 -3.798 -1.827 1.164 9379TIP3 OH234445 -3.587 -2.414 0.812 9379TIP3 H134446 -3.602 -2.319 0.794 9379TIP3 H234447 -3.656 -2.455 0.756 9380TIP3 OH234448 -3.459 -1.956 1.190 9380TIP3 H134449 -3.494 -1.979 1.278 9380TIP3 H234450 -3.538 -1.976 1.135 9381TIP3 OH234451 -3.204 -2.050 1.079 9381TIP3 H134452 -3.293 -2.050 1.118 9381TIP3 H234453 -3.157 -2.115 1.133 9382TIP3 OH234454 -3.026 -2.203 1.247 9382TIP3 H134455 -3.035 -2.299 1.264 9382TIP3 H234456 -3.037 -2.164 1.336 9383TIP3 OH234457 -4.019 -2.059 1.191 9383TIP3 H134458 -4.014 -2.132 1.128 9383TIP3 H234459 -4.032 -2.106 1.276 9384TIP3 OH234460 -3.601 -2.464 1.091 9384TIP3 H134461 -3.541 -2.541 1.097 9384TIP3 H234462 -3.603 -2.450 0.994 9385TIP3 OH234463 -3.508 -2.280 1.279 9385TIP3 H134464 -3.533 -2.339 1.205 9385TIP3 H234465 -3.576 -2.212 1.276 9386TIP3 OH234466 -3.601 -0.585 -0.377 9386TIP3 H134467 -3.509 -0.568 -0.352 9386TIP3 H234468 -3.609 -0.529 -0.455 9387TIP3 OH234469 -4.199 -1.094 -0.451 9387TIP3 H134470 -4.121 -1.100 -0.393 9387TIP3 H234471 -4.211 -1.184 -0.484 9388TIP3 OH234472 -4.274 -0.809 0.244 9388TIP3 H134473 -4.276 -0.896 0.287 9388TIP3 H234474 -4.240 -0.755 0.317 9389TIP3 OH234475 -2.549 -1.304 -0.160 9389TIP3 H134476 -2.470 -1.257 -0.129 9389TIP3 H234477 -2.567 -1.361 -0.084 9390TIP3 OH234478 -2.516 -1.523 0.048 9390TIP3 H134479 -2.591 -1.572 0.086 9390TIP3 H234480 -2.460 -1.507 0.127 9391TIP3 OH234481 -2.514 -1.559 -0.306 9391TIP3 H134482 -2.559 -1.525 -0.386 9391TIP3 H234483 -2.517 -1.480 -0.249 9392TIP3 OH234484 -2.709 -1.803 -0.486 9392TIP3 H134485 -2.657 -1.752 -0.549 9392TIP3 H234486 -2.712 -1.891 -0.526 9393TIP3 OH234487 -2.755 -1.696 0.117 9393TIP3 H134488 -2.751 -1.793 0.109 9393TIP3 H234489 -2.783 -1.684 0.210 9394TIP3 OH234490 -4.255 -1.451 0.518 9394TIP3 H134491 -4.220 -1.426 0.431 9394TIP3 H234492 -4.175 -1.490 0.558 9395TIP3 OH234493 -2.578 -1.665 1.145 9395TIP3 H134494 -2.616 -1.743 1.103 9395TIP3 H234495 -2.483 -1.671 1.121 9396TIP3 OH234496 -2.740 -2.078 -0.556 9396TIP3 H134497 -2.675 -2.124 -0.498 9396TIP3 H234498 -2.817 -2.136 -0.555 9397TIP3 OH234499 -2.771 -1.955 -0.052 9397TIP3 H134500 -2.738 -2.047 -0.050 9397TIP3 H234501 -2.693 -1.909 -0.090 9398TIP3 OH234502 -2.713 -1.875 0.478 9398TIP3 H134503 -2.618 -1.855 0.466 9398TIP3 H234504 -2.720 -1.871 0.575 9399TIP3 OH234505 -2.707 -1.789 0.760 9399TIP3 H134506 -2.795 -1.755 0.784 9399TIP3 H234507 -2.657 -1.708 0.744 9400TIP3 OH234508 -4.286 -1.955 1.126 9400TIP3 H134509 -4.195 -1.990 1.127 9400TIP3 H234510 -4.340 -2.033 1.145 9401TIP3 OH234511 -2.466 -2.405 1.293 9401TIP3 H134512 -2.423 -2.472 1.236 9401TIP3 H234513 -2.461 -2.326 1.235 9402TIP3 OH234514 -2.712 -2.229 -0.065 9402TIP3 H134515 -2.691 -2.263 0.025 9402TIP3 H234516 -2.791 -2.280 -0.088 9403TIP3 OH234517 -4.195 -2.099 0.438 9403TIP3 H134518 -4.160 -2.190 0.440 9403TIP3 H234519 -4.115 -2.047 0.458 9404TIP3 OH234520 -4.334 -1.838 0.527 9404TIP3 H134521 -4.288 -1.892 0.461 9404TIP3 H234522 -4.305 -1.750 0.501 9405TIP3 OH234523 -2.527 -2.198 1.121 9405TIP3 H134524 -2.614 -2.155 1.117 9405TIP3 H234525 -2.531 -2.251 1.039 9406TIP3 OH234526 -2.520 -2.173 -0.406 9406TIP3 H134527 -2.479 -2.254 -0.440 9406TIP3 H234528 -2.442 -2.120 -0.378 9407TIP3 OH234529 -4.316 -2.226 -0.118 9407TIP3 H134530 -4.398 -2.202 -0.164 9407TIP3 H234531 -4.254 -2.160 -0.156 9408TIP3 OH234532 -4.291 -2.326 0.715 9408TIP3 H134533 -4.359 -2.338 0.786 9408TIP3 H234534 -4.339 -2.284 0.642 9409TIP3 OH234535 -4.120 -0.975 1.184 9409TIP3 H134536 -4.164 -1.039 1.127 9409TIP3 H234537 -4.137 -1.012 1.273 9410TIP3 OH234538 -3.802 -0.907 0.774 9410TIP3 H134539 -3.829 -0.824 0.732 9410TIP3 H234540 -3.706 -0.902 0.753 9411TIP3 OH234541 -3.361 -0.770 1.080 9411TIP3 H134542 -3.331 -0.803 1.166 9411TIP3 H234543 -3.276 -0.739 1.041 9412TIP3 OH234544 -3.119 -0.674 0.996 9412TIP3 H134545 -3.047 -0.730 0.964 9412TIP3 H234546 -3.076 -0.623 1.066 9413TIP3 OH234547 -2.643 -2.378 0.919 9413TIP3 H134548 -2.719 -2.354 0.864 9413TIP3 H234549 -2.618 -2.466 0.884 9414TIP3 OH234550 -4.073 -0.606 0.799 9414TIP3 H134551 -4.139 -0.555 0.748 9414TIP3 H234552 -4.106 -0.598 0.888 9415TIP3 OH234553 -3.821 -0.637 0.666 9415TIP3 H134554 -3.907 -0.612 0.704 9415TIP3 H234555 -3.818 -0.588 0.583 9416TIP3 OH234556 -3.278 -0.608 0.608 9416TIP3 H134557 -3.345 -0.639 0.545 9416TIP3 H234558 -3.326 -0.587 0.687 9417TIP3 OH234559 -4.119 -0.738 0.490 9417TIP3 H134560 -4.127 -0.779 0.578 9417TIP3 H234561 -4.037 -0.778 0.457 9418TIP3 OH234562 -3.890 -0.851 0.357 9418TIP3 H134563 -3.896 -0.944 0.385 9418TIP3 H234564 -3.797 -0.829 0.378 9419TIP3 OH234565 -3.299 -2.227 0.360 9419TIP3 H134566 -3.366 -2.296 0.374 9419TIP3 H234567 -3.234 -2.273 0.305 9420TIP3 OH234568 -2.802 -2.424 0.408 9420TIP3 H134569 -2.724 -2.381 0.369 9420TIP3 H234570 -2.874 -2.392 0.352 9421TIP3 OH234571 -2.597 -2.315 0.190 9421TIP3 H134572 -2.521 -2.359 0.147 9421TIP3 H234573 -2.560 -2.225 0.203 9422TIP3 OH234574 -4.108 -2.369 0.116 9422TIP3 H134575 -4.180 -2.399 0.059 9422TIP3 H234576 -4.045 -2.443 0.106 9423TIP3 OH234577 -4.182 -2.408 -0.303 9423TIP3 H134578 -4.130 -2.342 -0.353 9423TIP3 H234579 -4.233 -2.351 -0.243 9424TIP3 OH234580 -3.618 -2.372 0.108 9424TIP3 H134581 -3.527 -2.341 0.089 9424TIP3 H234582 -3.613 -2.383 0.204 9425TIP3 OH234583 -3.061 -2.367 0.244 9425TIP3 H134584 -3.026 -2.384 0.155 9425TIP3 H234585 -3.092 -2.455 0.270 9426TIP3 OH234586 -2.946 -2.369 -0.151 9426TIP3 H134587 -3.028 -2.320 -0.170 9426TIP3 H234588 -2.979 -2.460 -0.141 9427TIP3 OH234589 -4.192 -0.807 -0.199 9427TIP3 H134590 -4.253 -0.819 -0.272 9427TIP3 H234591 -4.179 -0.711 -0.199 9428TIP3 OH234592 -4.006 -2.220 -0.449 9428TIP3 H134593 -3.948 -2.279 -0.501 9428TIP3 H234594 -3.944 -2.191 -0.379 9429TIP3 OH234595 -3.501 -2.204 -0.188 9429TIP3 H134596 -3.463 -2.264 -0.121 9429TIP3 H234597 -3.477 -2.118 -0.149 9430TIP3 OH234598 -3.289 -0.632 -0.368 9430TIP3 H134599 -3.192 -0.628 -0.371 9430TIP3 H234600 -3.307 -0.695 -0.440 9431TIP3 OH234601 -2.648 -0.727 -0.063 9431TIP3 H134602 -2.648 -0.804 -0.120 9431TIP3 H234603 -2.606 -0.658 -0.115 9432TIP3 OH234604 -4.080 -2.329 1.069 9432TIP3 H134605 -4.124 -2.406 1.109 9432TIP3 H234606 -3.988 -2.345 1.096 9433TIP3 OH234607 -3.844 -2.392 1.245 9433TIP3 H134608 -3.762 -2.427 1.204 9433TIP3 H234609 -3.877 -2.472 1.289 9434TIP3 OH234610 -4.016 -0.713 -0.500 9434TIP3 H134611 -4.040 -0.688 -0.410 9434TIP3 H234612 -3.935 -0.765 -0.486 9435TIP3 OH234613 -3.030 -2.482 1.263 9435TIP3 H134614 -3.025 -2.524 1.350 9435TIP3 H234615 -2.937 -2.486 1.234 9436TIP3 OH234616 -2.349 -1.776 0.028 9436TIP3 H134617 -2.398 -1.692 0.028 9436TIP3 H234618 -2.412 -1.836 -0.012 9437TIP3 OH234619 -2.306 -1.532 0.233 9437TIP3 H134620 -2.294 -1.598 0.303 9437TIP3 H234621 -2.224 -1.537 0.183 9438TIP3 OH234622 -0.661 -2.148 0.573 9438TIP3 H134623 -0.666 -2.080 0.641 9438TIP3 H234624 -0.622 -2.100 0.498 9439TIP3 OH234625 -1.166 -2.035 0.129 9439TIP3 H134626 -1.101 -2.091 0.175 9439TIP3 H234627 -1.124 -2.021 0.044 9440TIP3 OH234628 -2.288 -1.817 0.341 9440TIP3 H134629 -2.214 -1.803 0.401 9440TIP3 H234630 -2.252 -1.822 0.252 9441TIP3 OH234631 -0.642 -2.007 0.832 9441TIP3 H134632 -0.684 -1.924 0.805 9441TIP3 H234633 -0.625 -1.989 0.926 9442TIP3 OH234634 -2.045 -2.143 0.660 9442TIP3 H134635 -2.054 -2.064 0.607 9442TIP3 H234636 -2.092 -2.119 0.741 9443TIP3 OH234637 -0.924 -2.114 0.311 9443TIP3 H134638 -0.995 -2.148 0.367 9443TIP3 H234639 -0.890 -2.040 0.364 9444TIP3 OH234640 -0.939 -2.192 0.682 9444TIP3 H134641 -1.017 -2.155 0.636 9444TIP3 H234642 -0.868 -2.175 0.617 9445TIP3 OH234643 -1.616 -2.422 0.382 9445TIP3 H134644 -1.642 -2.515 0.373 9445TIP3 H234645 -1.700 -2.380 0.409 9446TIP3 OH234646 -1.870 -2.306 0.481 9446TIP3 H134647 -1.953 -2.313 0.432 9446TIP3 H234648 -1.888 -2.230 0.539 9447TIP3 OH234649 -1.437 -2.377 0.851 9447TIP3 H134650 -1.392 -2.424 0.923 9447TIP3 H234651 -1.531 -2.394 0.865 9448TIP3 OH234652 -1.250 -1.802 0.258 9448TIP3 H134653 -1.282 -1.766 0.175 9448TIP3 H234654 -1.252 -1.898 0.240 9449TIP3 OH234655 -2.451 -2.082 0.166 9449TIP3 H134656 -2.396 -2.057 0.242 9449TIP3 H234657 -2.385 -2.109 0.101 9450TIP3 OH234658 -2.329 -1.982 -0.278 9450TIP3 H134659 -2.263 -1.922 -0.315 9450TIP3 H234660 -2.392 -1.920 -0.237 9451TIP3 OH234661 -1.161 -2.145 0.494 9451TIP3 H134662 -1.218 -2.128 0.571 9451TIP3 H234663 -1.230 -2.158 0.426 9452TIP3 OH234664 -1.209 -1.068 0.948 9452TIP3 H134665 -1.273 -1.031 0.885 9452TIP3 H234666 -1.235 -1.034 1.033 9453TIP3 OH234667 -1.115 -1.480 0.499 9453TIP3 H134668 -1.184 -1.541 0.526 9453TIP3 H234669 -1.044 -1.538 0.468 9454TIP3 OH234670 -2.237 -1.573 -0.432 9454TIP3 H134671 -2.178 -1.516 -0.380 9454TIP3 H234672 -2.321 -1.560 -0.385 9455TIP3 OH234673 -1.225 -1.274 0.683 9455TIP3 H134674 -1.306 -1.301 0.725 9455TIP3 H234675 -1.179 -1.354 0.658 9456TIP3 OH234676 -2.216 -2.077 0.918 9456TIP3 H134677 -2.277 -2.033 0.857 9456TIP3 H234678 -2.238 -2.171 0.911 9457TIP3 OH234679 -2.109 -1.356 -0.269 9457TIP3 H134680 -2.160 -1.316 -0.198 9457TIP3 H234681 -2.039 -1.290 -0.282 9458TIP3 OH234682 -1.289 -2.152 0.758 9458TIP3 H134683 -1.280 -2.108 0.844 9458TIP3 H234684 -1.354 -2.221 0.781 9459TIP3 OH234685 -0.895 -2.071 0.972 9459TIP3 H134686 -0.984 -2.047 0.947 9459TIP3 H234687 -0.851 -2.076 0.885 9460TIP3 OH234688 -1.004 -1.697 0.324 9460TIP3 H134689 -1.091 -1.743 0.322 9460TIP3 H234690 -0.947 -1.758 0.371 9461TIP3 OH234691 -2.143 -2.352 0.398 9461TIP3 H134692 -2.160 -2.351 0.300 9461TIP3 H234693 -2.179 -2.438 0.423 9462TIP3 OH234694 -1.891 -1.331 -0.544 9462TIP3 H134695 -1.872 -1.380 -0.464 9462TIP3 H234696 -1.803 -1.302 -0.572 9463TIP3 OH234697 -1.033 -1.342 0.936 9463TIP3 H134698 -0.982 -1.270 0.897 9463TIP3 H234699 -1.122 -1.308 0.919 9464TIP3 OH234700 -2.296 -1.609 1.173 9464TIP3 H134701 -2.228 -1.647 1.115 9464TIP3 H234702 -2.252 -1.592 1.257 9465TIP3 OH234703 -1.756 -2.132 0.759 9465TIP3 H134704 -1.707 -2.057 0.722 9465TIP3 H234705 -1.846 -2.098 0.760 9466TIP3 OH234706 -1.718 -2.395 0.820 9466TIP3 H134707 -1.720 -2.299 0.797 9466TIP3 H234708 -1.779 -2.430 0.753 9467TIP3 OH234709 -1.562 -1.987 1.167 9467TIP3 H134710 -1.594 -1.958 1.253 9467TIP3 H234711 -1.633 -1.955 1.109 9468TIP3 OH234712 -1.305 -2.055 1.046 9468TIP3 H134713 -1.389 -2.026 1.088 9468TIP3 H234714 -1.255 -2.090 1.121 9469TIP3 OH234715 -1.121 -2.196 1.253 9469TIP3 H134716 -1.147 -2.288 1.270 9469TIP3 H234717 -1.146 -2.149 1.334 9470TIP3 OH234718 -2.067 -2.083 1.199 9470TIP3 H134719 -2.104 -2.085 1.109 9470TIP3 H234720 -2.145 -2.066 1.253 9471TIP3 OH234721 -1.710 -2.469 1.094 9471TIP3 H134722 -1.646 -2.541 1.081 9471TIP3 H234723 -1.724 -2.441 1.001 9472TIP3 OH234724 -1.633 -2.315 1.322 9472TIP3 H134725 -1.648 -2.349 1.231 9472TIP3 H234726 -1.682 -2.231 1.315 9473TIP3 OH234727 -0.664 -1.683 1.147 9473TIP3 H134728 -0.735 -1.736 1.112 9473TIP3 H234729 -0.586 -1.727 1.111 9474TIP3 OH234730 -0.817 -1.885 0.488 9474TIP3 H134731 -0.736 -1.834 0.474 9474TIP3 H234732 -0.843 -1.856 0.577 9475TIP3 OH234733 -0.839 -1.779 0.762 9475TIP3 H134734 -0.926 -1.746 0.788 9475TIP3 H234735 -0.793 -1.695 0.745 9476TIP3 OH234736 -2.379 -1.947 1.169 9476TIP3 H134737 -2.308 -1.940 1.103 9476TIP3 H234738 -2.425 -2.029 1.142 9477TIP3 OH234739 -0.580 -2.400 1.289 9477TIP3 H134740 -0.541 -2.466 1.229 9477TIP3 H234741 -0.584 -2.321 1.232 9478TIP3 OH234742 -2.298 -2.111 0.430 9478TIP3 H134743 -2.239 -2.188 0.431 9478TIP3 H234744 -2.239 -2.037 0.449 9479TIP3 OH234745 -0.661 -2.197 1.120 9479TIP3 H134746 -0.744 -2.145 1.119 9479TIP3 H234747 -0.673 -2.246 1.036 9480TIP3 OH234748 -2.397 -2.228 -0.102 9480TIP3 H134749 -2.489 -2.200 -0.107 9480TIP3 H234750 -2.348 -2.155 -0.143 9481TIP3 OH234751 -2.399 -2.326 0.737 9481TIP3 H134752 -2.471 -2.343 0.799 9481TIP3 H234753 -2.441 -2.269 0.671 9482TIP3 OH234754 -0.759 -2.370 0.918 9482TIP3 H134755 -0.836 -2.342 0.865 9482TIP3 H234756 -0.739 -2.457 0.880 9483TIP3 OH234757 -1.403 -2.227 0.347 9483TIP3 H134758 -1.482 -2.283 0.347 9483TIP3 H234759 -1.356 -2.255 0.268 9484TIP3 OH234760 -0.905 -2.430 0.388 9484TIP3 H134761 -0.838 -2.376 0.342 9484TIP3 H234762 -0.988 -2.394 0.350 9485TIP3 OH234763 -0.708 -2.318 0.192 9485TIP3 H134764 -0.648 -2.350 0.123 9485TIP3 H234765 -0.704 -2.222 0.186 9486TIP3 OH234766 -2.177 -2.347 0.129 9486TIP3 H134767 -2.247 -2.348 0.062 9486TIP3 H234768 -2.111 -2.406 0.090 9487TIP3 OH234769 -1.144 -2.388 0.242 9487TIP3 H134770 -1.160 -2.375 0.146 9487TIP3 H234771 -1.215 -2.450 0.265 9488TIP3 OH234772 -2.207 -2.337 1.063 9488TIP3 H134773 -2.231 -2.417 1.111 9488TIP3 H234774 -2.118 -2.317 1.096 9489TIP3 OH234775 -1.951 -2.395 1.257 9489TIP3 H134776 -1.876 -2.426 1.202 9489TIP3 H234777 -2.002 -2.476 1.272 9490TIP3 OH234778 -1.144 -2.478 1.263 9490TIP3 H134779 -1.140 -2.517 1.352 9490TIP3 H234780 -1.050 -2.477 1.236 9491TIP3 OH234781 1.215 -2.110 0.589 9491TIP3 H134782 1.211 -2.030 0.644 9491TIP3 H234783 1.274 -2.082 0.516 9492TIP3 OH234784 0.755 -2.079 0.062 9492TIP3 H134785 0.798 -2.082 0.148 9492TIP3 H234786 0.785 -1.993 0.028 9493TIP3 OH234787 -0.408 -1.803 0.337 9493TIP3 H134788 -0.329 -1.812 0.389 9493TIP3 H234789 -0.379 -1.806 0.246 9494TIP3 OH234790 0.137 -1.661 0.320 9494TIP3 H134791 0.233 -1.664 0.336 9494TIP3 H234792 0.129 -1.683 0.227 9495TIP3 OH234793 -0.112 -2.164 0.682 9495TIP3 H134794 -0.143 -2.095 0.622 9495TIP3 H234795 -0.175 -2.155 0.756 9496TIP3 OH234796 0.947 -2.127 0.319 9496TIP3 H134797 0.899 -2.161 0.395 9496TIP3 H234798 0.981 -2.042 0.353 9497TIP3 OH234799 -0.136 -1.956 0.473 9497TIP3 H134800 -0.089 -1.875 0.498 9497TIP3 H234801 -0.093 -1.980 0.391 9498TIP3 OH234802 0.964 -2.219 0.668 9498TIP3 H134803 0.896 -2.158 0.700 9498TIP3 H234804 1.033 -2.158 0.634 9499TIP3 OH234805 0.272 -2.428 0.385 9499TIP3 H134806 0.242 -2.520 0.387 9499TIP3 H234807 0.192 -2.379 0.411 9500TIP3 OH234808 0.539 -1.786 -0.387 9500TIP3 H134809 0.555 -1.696 -0.357 9500TIP3 H234810 0.515 -1.773 -0.479 9501TIP3 OH234811 0.113 -1.136 1.013 9501TIP3 H134812 0.092 -1.045 1.036 9501TIP3 H234813 0.079 -1.141 0.924 9502TIP3 OH234814 1.052 -2.415 -0.318 9502TIP3 H134815 0.971 -2.386 -0.277 9502TIP3 H234816 1.098 -2.330 -0.331 9503TIP3 OH234817 -0.105 -1.564 -0.026 9503TIP3 H134818 -0.105 -1.475 -0.063 9503TIP3 H234819 -0.189 -1.600 -0.057 9504TIP3 OH234820 0.017 -2.281 0.447 9504TIP3 H134821 -0.075 -2.312 0.436 9504TIP3 H234822 0.010 -2.231 0.530 9505TIP3 OH234823 0.447 -2.116 -0.430 9505TIP3 H134824 0.386 -2.092 -0.359 9505TIP3 H234825 0.392 -2.170 -0.489 9506TIP3 OH234826 0.004 -1.873 0.110 9506TIP3 H134827 -0.086 -1.837 0.106 9506TIP3 H234828 0.039 -1.840 0.025 9507TIP3 OH234829 0.544 -1.761 -0.010 9507TIP3 H134830 0.518 -1.668 -0.016 9507TIP3 H234831 0.627 -1.764 -0.062 9508TIP3 OH234832 0.699 -1.821 0.243 9508TIP3 H134833 0.637 -1.760 0.201 9508TIP3 H234834 0.658 -1.906 0.228 9509TIP3 OH234835 0.086 -2.059 -0.516 9509TIP3 H134836 0.027 -2.118 -0.470 9509TIP3 H234837 0.022 -2.000 -0.561 9510TIP3 OH234838 -0.556 -2.042 0.158 9510TIP3 H134839 -0.516 -2.053 0.246 9510TIP3 H234840 -0.519 -2.114 0.106 9511TIP3 OH234841 -0.450 -2.033 -0.276 9511TIP3 H134842 -0.397 -1.995 -0.348 9511TIP3 H234843 -0.507 -1.959 -0.253 9512TIP3 OH234844 0.194 -2.093 0.223 9512TIP3 H134845 0.166 -2.021 0.281 9512TIP3 H234846 0.285 -2.107 0.256 9513TIP3 OH234847 -0.272 -1.945 0.069 9513TIP3 H134848 -0.360 -1.906 0.054 9513TIP3 H234849 -0.274 -2.016 0.005 9514TIP3 OH234850 0.097 -1.885 -0.177 9514TIP3 H134851 0.191 -1.882 -0.155 9514TIP3 H234852 0.091 -1.816 -0.246 9515TIP3 OH234853 0.706 -2.065 -0.356 9515TIP3 H134854 0.611 -2.060 -0.380 9515TIP3 H234855 0.718 -1.979 -0.313 9516TIP3 OH234856 0.780 -1.809 -0.200 9516TIP3 H134857 0.865 -1.840 -0.163 9516TIP3 H234858 0.807 -1.759 -0.278 9517TIP3 OH234859 1.213 -1.819 -0.248 9517TIP3 H134860 1.220 -1.872 -0.329 9517TIP3 H234861 1.276 -1.747 -0.264 9518TIP3 OH234862 -0.342 -2.127 0.874 9518TIP3 H134863 -0.422 -2.072 0.877 9518TIP3 H234864 -0.363 -2.199 0.935 9519TIP3 OH234865 0.356 -0.975 -0.319 9519TIP3 H134866 0.396 -1.007 -0.238 9519TIP3 H234867 0.410 -0.900 -0.345 9520TIP3 OH234868 0.365 -1.970 -0.042 9520TIP3 H134869 0.439 -1.905 -0.039 9520TIP3 H234870 0.343 -1.976 0.051 9521TIP3 OH234871 -0.015 -2.170 -0.219 9521TIP3 H134872 0.003 -2.075 -0.233 9521TIP3 H234873 0.061 -2.214 -0.257 9522TIP3 OH234874 -0.248 -2.361 0.391 9522TIP3 H134875 -0.284 -2.359 0.301 9522TIP3 H234876 -0.292 -2.439 0.430 9523TIP3 OH234877 0.201 -2.365 0.815 9523TIP3 H134878 0.183 -2.272 0.795 9523TIP3 H234879 0.134 -2.412 0.762 9524TIP3 OH234880 0.682 -2.210 1.282 9524TIP3 H134881 0.733 -2.272 1.227 9524TIP3 H234882 0.727 -2.126 1.265 9525TIP3 OH234883 -0.223 -2.049 1.176 9525TIP3 H134884 -0.240 -2.125 1.118 9525TIP3 H234885 -0.248 -2.082 1.263 9526TIP3 OH234886 0.182 -2.457 1.088 9526TIP3 H134887 0.237 -2.536 1.083 9526TIP3 H234888 0.185 -2.428 0.994 9527TIP3 OH234889 0.287 -2.290 1.307 9527TIP3 H134890 0.267 -2.345 1.229 9527TIP3 H234891 0.214 -2.227 1.301 9528TIP3 OH234892 1.004 -1.915 -0.061 9528TIP3 H134893 1.031 -2.005 -0.038 9528TIP3 H234894 1.089 -1.875 -0.088 9529TIP3 OH234895 1.035 -1.876 0.477 9529TIP3 H134896 1.128 -1.857 0.492 9529TIP3 H234897 0.995 -1.868 0.566 9530TIP3 OH234898 -0.504 -1.949 1.106 9530TIP3 H134899 -0.412 -1.957 1.137 9530TIP3 H234900 -0.547 -2.027 1.144 9531TIP3 OH234901 1.302 -2.390 1.284 9531TIP3 H134902 1.344 -2.459 1.230 9531TIP3 H234903 1.301 -2.314 1.222 9532TIP3 OH234904 1.041 -2.237 -0.070 9532TIP3 H134905 1.062 -2.243 0.024 9532TIP3 H234906 0.957 -2.283 -0.076 9533TIP3 OH234907 -0.403 -2.104 0.410 9533TIP3 H134908 -0.361 -2.186 0.439 9533TIP3 H234909 -0.347 -2.036 0.448 9534TIP3 OH234910 1.228 -2.194 1.105 9534TIP3 H134911 1.143 -2.150 1.121 9534TIP3 H234912 1.209 -2.244 1.024 9535TIP3 OH234913 1.244 -2.207 -0.371 9535TIP3 H134914 1.264 -2.255 -0.453 9535TIP3 H234915 1.298 -2.127 -0.381 9536TIP3 OH234916 -0.496 -2.210 -0.066 9536TIP3 H134917 -0.591 -2.224 -0.080 9536TIP3 H234918 -0.471 -2.158 -0.145 9537TIP3 OH234919 -0.526 -2.347 0.719 9537TIP3 H134920 -0.587 -2.343 0.794 9537TIP3 H234921 -0.564 -2.277 0.662 9538TIP3 OH234922 1.115 -2.371 0.918 9538TIP3 H134923 1.047 -2.336 0.857 9538TIP3 H234924 1.138 -2.455 0.875 9539TIP3 OH234925 0.463 -2.226 0.292 9539TIP3 H134926 0.411 -2.289 0.345 9539TIP3 H234927 0.552 -2.264 0.296 9540TIP3 OH234928 1.005 -2.474 0.393 9540TIP3 H134929 1.057 -2.396 0.365 9540TIP3 H234930 0.915 -2.436 0.384 9541TIP3 OH234931 1.172 -2.320 0.193 9541TIP3 H134932 1.248 -2.345 0.138 9541TIP3 H234933 1.192 -2.226 0.209 9542TIP3 OH234934 -0.266 -2.342 0.105 9542TIP3 H134935 -0.349 -2.332 0.054 9542TIP3 H234936 -0.248 -2.437 0.091 9543TIP3 OH234937 -0.407 -2.407 -0.292 9543TIP3 H134938 -0.379 -2.348 -0.363 9543TIP3 H234939 -0.474 -2.356 -0.247 9544TIP3 OH234940 0.720 -2.376 0.265 9544TIP3 H134941 0.756 -2.383 0.176 9544TIP3 H234942 0.677 -2.462 0.280 9545TIP3 OH234943 -0.221 -2.204 -0.457 9545TIP3 H134944 -0.177 -2.280 -0.501 9545TIP3 H234945 -0.177 -2.202 -0.370 9546TIP3 OH234946 0.330 -2.228 -0.167 9546TIP3 H134947 0.288 -2.259 -0.086 9546TIP3 H234948 0.310 -2.133 -0.161 9547TIP3 OH234949 -0.316 -2.329 1.079 9547TIP3 H134950 -0.349 -2.414 1.114 9547TIP3 H234951 -0.222 -2.334 1.102 9548TIP3 OH234952 -0.061 -2.393 1.251 9548TIP3 H134953 0.014 -2.429 1.201 9548TIP3 H234954 -0.106 -2.473 1.283 9549TIP3 OH234955 0.738 -2.487 1.262 9549TIP3 H134956 0.751 -2.522 1.352 9549TIP3 H234957 0.828 -2.489 1.227 9550TIP3 OH234958 2.500 -1.500 0.162 9550TIP3 H134959 2.503 -1.403 0.158 9550TIP3 H234960 2.425 -1.517 0.105 9551TIP3 OH234961 2.376 -1.517 0.462 9551TIP3 H134962 2.367 -1.578 0.536 9551TIP3 H234963 2.343 -1.569 0.387 9552TIP3 OH234964 2.767 -1.264 0.308 9552TIP3 H134965 2.709 -1.322 0.360 9552TIP3 H234966 2.739 -1.176 0.335 9553TIP3 OH234967 3.101 -2.137 0.574 9553TIP3 H134968 3.120 -2.070 0.641 9553TIP3 H234969 3.157 -2.107 0.500 9554TIP3 OH234970 2.562 -1.849 0.561 9554TIP3 H134971 2.567 -1.946 0.565 9554TIP3 H234972 2.545 -1.834 0.467 9555TIP3 OH234973 2.642 -2.033 0.100 9555TIP3 H134974 2.702 -2.076 0.164 9555TIP3 H234975 2.705 -1.986 0.043 9556TIP3 OH234976 3.176 -1.987 0.824 9556TIP3 H134977 3.112 -1.921 0.792 9556TIP3 H234978 3.137 -2.008 0.910 9557TIP3 OH234979 1.734 -2.157 0.677 9557TIP3 H134980 1.705 -2.108 0.598 9557TIP3 H234981 1.663 -2.136 0.740 9558TIP3 OH234982 2.509 -1.257 0.025 9558TIP3 H134983 2.482 -1.259 -0.068 9558TIP3 H234984 2.513 -1.163 0.044 9559TIP3 OH234985 2.833 -2.115 0.302 9559TIP3 H134986 2.781 -2.169 0.363 9559TIP3 H234987 2.872 -2.049 0.362 9560TIP3 OH234988 1.704 -1.994 0.452 9560TIP3 H134989 1.735 -1.908 0.483 9560TIP3 H234990 1.746 -1.995 0.363 9561TIP3 OH234991 2.839 -2.190 0.688 9561TIP3 H134992 2.760 -2.157 0.642 9561TIP3 H234993 2.908 -2.178 0.620 9562TIP3 OH234994 2.154 -2.424 0.402 9562TIP3 H134995 2.127 -2.516 0.384 9562TIP3 H234996 2.069 -2.382 0.427 9563TIP3 OH234997 2.954 -1.216 0.900 9563TIP3 H134998 2.921 -1.276 0.831 9563TIP3 H234999 2.916 -1.131 0.874 9564TIP3 OH235000 2.336 -1.471 -0.145 9564TIP3 H135001 2.263 -1.471 -0.208 9564TIP3 H235002 2.410 -1.504 -0.197 9565TIP3 OH235003 2.358 -1.706 -0.410 9565TIP3 H135004 2.441 -1.675 -0.372 9565TIP3 H235005 2.387 -1.755 -0.487 9566TIP3 OH235006 3.144 -1.585 0.733 9566TIP3 H135007 3.059 -1.537 0.735 9566TIP3 H235008 3.172 -1.571 0.641 9567TIP3 OH235009 2.718 -1.519 -0.041 9567TIP3 H135010 2.658 -1.478 0.023 9567TIP3 H235011 2.774 -1.572 0.018 9568TIP3 OH235012 2.694 -1.671 0.856 9568TIP3 H135013 2.688 -1.596 0.917 9568TIP3 H235014 2.626 -1.643 0.791 9569TIP3 OH235015 2.593 -1.583 -0.279 9569TIP3 H135016 2.642 -1.553 -0.199 9569TIP3 H235017 2.642 -1.534 -0.349 9570TIP3 OH235018 2.954 -2.412 -0.323 9570TIP3 H135019 2.863 -2.403 -0.288 9570TIP3 H235020 2.985 -2.320 -0.321 9571TIP3 OH235021 3.073 -0.943 -0.418 9571TIP3 H135022 3.119 -0.861 -0.439 9571TIP3 H235023 3.148 -1.006 -0.411 9572TIP3 OH235024 3.186 -0.942 1.073 9572TIP3 H135025 3.177 -1.032 1.038 9572TIP3 H235026 3.094 -0.909 1.051 9573TIP3 OH235027 2.910 -1.811 1.093 9573TIP3 H135028 2.845 -1.774 1.031 9573TIP3 H235029 2.904 -1.906 1.069 9574TIP3 OH235030 1.906 -2.303 0.480 9574TIP3 H135031 1.826 -2.313 0.425 9574TIP3 H235032 1.879 -2.228 0.535 9575TIP3 OH235033 2.346 -2.349 0.848 9575TIP3 H135034 2.398 -2.404 0.910 9575TIP3 H235035 2.255 -2.383 0.858 9576TIP3 OH235036 2.671 -1.967 0.909 9576TIP3 H135037 2.600 -1.985 0.973 9576TIP3 H235038 2.652 -1.876 0.879 9577TIP3 OH235039 2.764 -1.470 -0.472 9577TIP3 H135040 2.742 -1.492 -0.564 9577TIP3 H235041 2.860 -1.453 -0.480 9578TIP3 OH235042 2.332 -2.102 -0.425 9578TIP3 H135043 2.278 -2.110 -0.344 9578TIP3 H235044 2.286 -2.167 -0.482 9579TIP3 OH235045 1.896 -1.862 0.657 9579TIP3 H135046 1.812 -1.847 0.705 9579TIP3 H235047 1.889 -1.800 0.584 9580TIP3 OH235048 2.444 -1.752 -0.015 9580TIP3 H135049 2.394 -1.681 -0.056 9580TIP3 H235050 2.510 -1.773 -0.083 9581TIP3 OH235051 2.369 -1.734 1.138 9581TIP3 H135052 2.316 -1.811 1.167 9581TIP3 H235053 2.458 -1.755 1.174 9582TIP3 OH235054 2.532 -1.822 0.268 9582TIP3 H135055 2.503 -1.761 0.198 9582TIP3 H235056 2.548 -1.903 0.215 9583TIP3 OH235057 1.654 -1.802 0.796 9583TIP3 H135058 1.640 -1.752 0.877 9583TIP3 H235059 1.597 -1.879 0.809 9584TIP3 OH235060 1.974 -2.070 -0.527 9584TIP3 H135061 1.940 -2.091 -0.437 9584TIP3 H235062 1.900 -2.019 -0.563 9585TIP3 OH235063 1.314 -2.072 0.171 9585TIP3 H135064 1.376 -2.072 0.246 9585TIP3 H235065 1.371 -2.093 0.096 9586TIP3 OH235066 1.451 -1.996 -0.309 9586TIP3 H135067 1.518 -1.935 -0.344 9586TIP3 H235068 1.420 -1.946 -0.233 9587TIP3 OH235069 2.437 -1.652 0.723 9587TIP3 H135070 2.477 -1.723 0.668 9587TIP3 H235071 2.384 -1.703 0.786 9588TIP3 OH235072 2.137 -2.076 0.215 9588TIP3 H135073 2.044 -2.045 0.215 9588TIP3 H235074 2.160 -2.069 0.308 9589TIP3 OH235075 2.011 -1.925 -0.185 9589TIP3 H135076 2.074 -1.901 -0.116 9589TIP3 H235077 1.965 -1.843 -0.203 9590TIP3 OH235078 2.605 -2.152 0.518 9590TIP3 H135079 2.539 -2.147 0.590 9590TIP3 H235080 2.547 -2.184 0.446 9591TIP3 OH235081 1.684 -1.352 1.166 9591TIP3 H135082 1.737 -1.277 1.196 9591TIP3 H235083 1.596 -1.313 1.167 9592TIP3 OH235084 2.257 -1.788 0.389 9592TIP3 H135085 2.322 -1.834 0.334 9592TIP3 H235086 2.237 -1.854 0.458 9593TIP3 OH235087 2.171 -1.954 0.613 9593TIP3 H135088 2.084 -1.912 0.622 9593TIP3 H235089 2.216 -1.928 0.696 9594TIP3 OH235090 2.918 -1.404 0.672 9594TIP3 H135091 2.951 -1.359 0.594 9594TIP3 H235092 2.824 -1.415 0.646 9595TIP3 OH235093 2.597 -2.037 -0.415 9595TIP3 H135094 2.498 -2.045 -0.416 9595TIP3 H235095 2.611 -1.966 -0.349 9596TIP3 OH235096 2.662 -1.857 -0.204 9596TIP3 H135097 2.751 -1.870 -0.168 9596TIP3 H235098 2.668 -1.770 -0.247 9597TIP3 OH235099 2.104 -1.593 1.130 9597TIP3 H135100 2.064 -1.615 1.044 9597TIP3 H235101 2.198 -1.587 1.109 9598TIP3 OH235102 3.123 -1.855 -0.234 9598TIP3 H135103 3.067 -1.873 -0.313 9598TIP3 H235104 3.134 -1.759 -0.245 9599TIP3 OH235105 3.175 -1.254 1.049 9599TIP3 H135106 3.082 -1.228 1.034 9599TIP3 H235107 3.203 -1.265 0.957 9600TIP3 OH235108 2.669 -1.462 0.517 9600TIP3 H135109 2.572 -1.469 0.506 9600TIP3 H235110 2.700 -1.536 0.463 9601TIP3 OH235111 1.535 -2.074 0.880 9601TIP3 H135112 1.443 -2.060 0.857 9601TIP3 H235113 1.533 -2.164 0.916 9602TIP3 OH235114 2.446 -2.103 0.740 9602TIP3 H135115 2.506 -2.084 0.813 9602TIP3 H235116 2.394 -2.178 0.774 9603TIP3 OH235117 2.521 -2.171 -0.139 9603TIP3 H135118 2.521 -2.112 -0.216 9603TIP3 H235119 2.550 -2.111 -0.068 9604TIP3 OH235120 2.266 -1.973 -0.031 9604TIP3 H135121 2.328 -1.900 -0.014 9604TIP3 H235122 2.214 -1.977 0.052 9605TIP3 OH235123 2.287 -1.850 0.876 9605TIP3 H135124 2.297 -1.809 0.963 9605TIP3 H235125 2.331 -1.935 0.889 9606TIP3 OH235126 2.316 -2.262 0.063 9606TIP3 H135127 2.280 -2.187 0.114 9606TIP3 H235128 2.376 -2.217 0.001 9607TIP3 OH235129 1.867 -2.159 -0.280 9607TIP3 H135130 1.861 -2.087 -0.214 9607TIP3 H235131 1.944 -2.207 -0.246 9608TIP3 OH235132 2.921 -2.072 0.958 9608TIP3 H135133 2.825 -2.054 0.951 9608TIP3 H235134 2.935 -2.100 0.866 9609TIP3 OH235135 2.769 -1.689 0.358 9609TIP3 H135136 2.682 -1.727 0.334 9609TIP3 H235137 2.810 -1.763 0.407 9610TIP3 OH235138 1.636 -2.366 0.397 9610TIP3 H135139 1.619 -2.355 0.300 9610TIP3 H235140 1.577 -2.440 0.420 9611TIP3 OH235141 2.768 -0.891 -0.531 9611TIP3 H135142 2.813 -0.954 -0.475 9611TIP3 H235143 2.839 -0.858 -0.589 9612TIP3 OH235144 2.645 -1.346 0.936 9612TIP3 H135145 2.709 -1.293 0.886 9612TIP3 H235146 2.567 -1.288 0.932 9613TIP3 OH235147 1.505 -1.648 1.171 9613TIP3 H135148 1.595 -1.683 1.166 9613TIP3 H235149 1.515 -1.579 1.238 9614TIP3 OH235150 1.931 -1.692 0.924 9614TIP3 H135151 1.861 -1.632 0.952 9614TIP3 H235152 1.949 -1.664 0.833 9615TIP3 OH235153 2.469 -1.483 1.324 9615TIP3 H135154 2.509 -1.439 1.248 9615TIP3 H235155 2.398 -1.533 1.283 9616TIP3 OH235156 3.032 -1.442 -0.551 9616TIP3 H135157 3.021 -1.485 -0.637 9616TIP3 H235158 3.022 -1.347 -0.576 9617TIP3 OH235159 1.969 -1.988 1.026 9617TIP3 H135160 1.970 -2.056 0.956 9617TIP3 H235161 1.949 -1.908 0.975 9618TIP3 OH235162 1.999 -2.148 0.771 9618TIP3 H135163 2.050 -2.094 0.708 9618TIP3 H235164 1.908 -2.139 0.737 9619TIP3 OH235165 2.613 -1.812 1.285 9619TIP3 H135166 2.637 -1.904 1.305 9619TIP3 H235167 2.698 -1.767 1.289 9620TIP3 OH235168 2.712 -1.524 1.131 9620TIP3 H135169 2.671 -1.457 1.071 9620TIP3 H235170 2.799 -1.534 1.089 9621TIP3 OH235171 1.782 -1.804 1.208 9621TIP3 H135172 1.725 -1.883 1.207 9621TIP3 H235173 1.862 -1.836 1.163 9622TIP3 OH235174 2.071 -2.414 0.811 9622TIP3 H135175 2.055 -2.319 0.792 9622TIP3 H235176 2.003 -2.455 0.754 9623TIP3 OH235177 2.200 -1.960 1.186 9623TIP3 H135178 2.161 -1.975 1.274 9623TIP3 H235179 2.119 -1.974 1.131 9624TIP3 OH235180 2.453 -2.050 1.073 9624TIP3 H135181 2.364 -2.042 1.113 9624TIP3 H235182 2.496 -2.113 1.133 9625TIP3 OH235183 2.646 -2.204 1.252 9625TIP3 H135184 2.621 -2.298 1.264 9625TIP3 H235185 2.617 -2.163 1.335 9626TIP3 OH235186 1.661 -2.063 1.194 9626TIP3 H135187 1.633 -2.126 1.125 9626TIP3 H235188 1.618 -2.101 1.273 9627TIP3 OH235189 2.056 -2.465 1.091 9627TIP3 H135190 2.116 -2.541 1.094 9627TIP3 H235191 2.051 -2.449 0.995 9628TIP3 OH235192 2.150 -2.280 1.279 9628TIP3 H135193 2.120 -2.337 1.205 9628TIP3 H235194 2.083 -2.210 1.278 9629TIP3 OH235195 2.940 -1.202 1.279 9629TIP3 H135196 2.845 -1.192 1.299 9629TIP3 H235197 2.974 -1.115 1.304 9630TIP3 OH235198 3.132 -1.518 0.014 9630TIP3 H135199 3.052 -1.560 0.052 9630TIP3 H235200 3.184 -1.495 0.093 9631TIP3 OH235201 3.148 -1.548 -0.304 9631TIP3 H135202 3.090 -1.520 -0.377 9631TIP3 H235203 3.126 -1.485 -0.235 9632TIP3 OH235204 2.977 -1.814 -0.475 9632TIP3 H135205 2.993 -1.754 -0.549 9632TIP3 H235206 2.946 -1.895 -0.521 9633TIP3 OH235207 2.915 -1.686 0.116 9633TIP3 H135208 2.903 -1.780 0.096 9633TIP3 H235209 2.870 -1.677 0.203 9634TIP3 OH235210 2.974 -1.503 1.030 9634TIP3 H135211 3.051 -1.560 1.042 9634TIP3 H235212 3.012 -1.416 1.016 9635TIP3 OH235213 3.158 -1.691 1.138 9635TIP3 H135214 3.068 -1.728 1.128 9635TIP3 H235215 3.208 -1.774 1.146 9636TIP3 OH235216 2.916 -2.078 -0.555 9636TIP3 H135217 2.970 -2.131 -0.494 9636TIP3 H235218 2.834 -2.128 -0.566 9637TIP3 OH235219 2.902 -1.946 -0.056 9637TIP3 H135220 2.922 -2.041 -0.054 9637TIP3 H235221 2.981 -1.912 -0.103 9638TIP3 OH235222 2.919 -1.894 0.481 9638TIP3 H135223 3.014 -1.877 0.481 9638TIP3 H235224 2.899 -1.886 0.576 9639TIP3 OH235225 2.938 -1.815 0.761 9639TIP3 H135226 2.850 -1.783 0.789 9639TIP3 H235227 2.986 -1.731 0.751 9640TIP3 OH235228 1.364 -1.925 1.170 9640TIP3 H135229 1.442 -1.918 1.115 9640TIP3 H235230 1.306 -1.982 1.118 9641TIP3 OH235231 3.197 -2.402 1.296 9641TIP3 H135232 3.233 -2.473 1.240 9641TIP3 H235233 3.194 -2.327 1.234 9642TIP3 OH235234 2.945 -2.229 -0.063 9642TIP3 H135235 2.947 -2.261 0.029 9642TIP3 H235236 2.866 -2.276 -0.097 9643TIP3 OH235237 1.457 -2.121 0.420 9643TIP3 H135238 1.510 -2.203 0.420 9643TIP3 H235239 1.526 -2.056 0.437 9644TIP3 OH235240 1.349 -1.821 0.508 9644TIP3 H135241 1.377 -1.843 0.419 9644TIP3 H235242 1.382 -1.731 0.518 9645TIP3 OH235243 3.130 -2.200 1.118 9645TIP3 H135244 3.042 -2.158 1.123 9645TIP3 H235245 3.117 -2.255 1.038 9646TIP3 OH235246 3.144 -2.185 -0.391 9646TIP3 H135247 3.170 -2.262 -0.444 9646TIP3 H235248 3.222 -2.128 -0.396 9647TIP3 OH235249 1.353 -2.211 -0.088 9647TIP3 H135250 1.262 -2.192 -0.115 9647TIP3 H235251 1.405 -2.150 -0.141 9648TIP3 OH235252 1.368 -2.313 0.734 9648TIP3 H135253 1.298 -2.351 0.788 9648TIP3 H235254 1.318 -2.258 0.670 9649TIP3 OH235255 3.018 -2.376 0.916 9649TIP3 H135256 2.937 -2.356 0.866 9649TIP3 H235257 3.038 -2.466 0.882 9650TIP3 OH235258 2.368 -2.230 0.373 9650TIP3 H135259 2.290 -2.287 0.380 9650TIP3 H235260 2.408 -2.263 0.291 9651TIP3 OH235261 2.855 -2.424 0.410 9651TIP3 H135262 2.929 -2.379 0.366 9651TIP3 H235263 2.779 -2.399 0.355 9652TIP3 OH235264 3.069 -2.316 0.203 9652TIP3 H135265 3.134 -2.355 0.142 9652TIP3 H235266 3.092 -2.222 0.203 9653TIP3 OH235267 1.593 -2.349 0.132 9653TIP3 H135268 1.524 -2.346 0.063 9653TIP3 H235269 1.667 -2.386 0.084 9654TIP3 OH235270 1.478 -2.405 -0.298 9654TIP3 H135271 1.527 -2.336 -0.347 9654TIP3 H235272 1.428 -2.350 -0.235 9655TIP3 OH235273 2.055 -2.396 0.106 9655TIP3 H135274 2.132 -2.339 0.096 9655TIP3 H235275 2.029 -2.376 0.197 9656TIP3 OH235276 2.615 -2.373 0.251 9656TIP3 H135277 2.622 -2.380 0.155 9656TIP3 H235278 2.560 -2.450 0.273 9657TIP3 OH235279 2.716 -2.369 -0.156 9657TIP3 H135280 2.636 -2.313 -0.164 9657TIP3 H235281 2.676 -2.457 -0.144 9658TIP3 OH235282 1.657 -2.220 -0.458 9658TIP3 H135283 1.725 -2.274 -0.502 9658TIP3 H235284 1.709 -2.186 -0.382 9659TIP3 OH235285 2.170 -2.214 -0.196 9659TIP3 H135286 2.182 -2.264 -0.114 9659TIP3 H235287 2.161 -2.123 -0.163 9660TIP3 OH235288 1.575 -2.330 1.067 9660TIP3 H135289 1.536 -2.411 1.105 9660TIP3 H235290 1.667 -2.338 1.096 9661TIP3 OH235291 1.816 -2.392 1.247 9661TIP3 H135292 1.896 -2.427 1.204 9661TIP3 H235293 1.778 -2.473 1.286 9662TIP3 OH235294 2.625 -2.484 1.262 9662TIP3 H135295 2.630 -2.524 1.350 9662TIP3 H235296 2.719 -2.486 1.235 9663TIP3 OH235297 4.209 -1.566 0.453 9663TIP3 H135298 4.283 -1.547 0.514 9663TIP3 H235299 4.257 -1.573 0.370 9664TIP3 OH235300 3.519 -1.590 0.668 9664TIP3 H135301 3.570 -1.648 0.724 9664TIP3 H235302 3.583 -1.520 0.647 9665TIP3 OH235303 3.593 -1.109 0.459 9665TIP3 H135304 3.560 -1.200 0.446 9665TIP3 H235305 3.687 -1.124 0.477 9666TIP3 OH235306 3.279 -1.768 0.012 9666TIP3 H135307 3.233 -1.683 0.011 9666TIP3 H235308 3.213 -1.825 -0.029 9667TIP3 OH235309 3.356 -1.519 0.201 9667TIP3 H135310 3.360 -1.605 0.246 9667TIP3 H235311 3.432 -1.523 0.143 9668TIP3 OH235312 4.122 -1.288 0.518 9668TIP3 H135313 4.153 -1.365 0.467 9668TIP3 H235314 4.204 -1.259 0.560 9669TIP3 OH235315 3.743 -2.049 0.267 9669TIP3 H135316 3.755 -1.965 0.218 9669TIP3 H235317 3.711 -2.106 0.194 9670TIP3 OH235318 3.420 -1.772 0.317 9670TIP3 H135319 3.470 -1.834 0.371 9670TIP3 H235320 3.412 -1.821 0.233 9671TIP3 OH235321 3.952 -1.643 0.255 9671TIP3 H135322 4.026 -1.692 0.298 9671TIP3 H235323 3.900 -1.717 0.219 9672TIP3 OH235324 3.628 -2.171 0.682 9672TIP3 H135325 3.582 -2.132 0.606 9672TIP3 H235326 3.561 -2.158 0.752 9673TIP3 OH235327 3.910 -1.389 0.693 9673TIP3 H135328 3.842 -1.323 0.720 9673TIP3 H235329 3.981 -1.331 0.659 9674TIP3 OH235330 3.586 -1.966 0.476 9674TIP3 H135331 3.656 -1.911 0.513 9674TIP3 H235332 3.636 -2.009 0.403 9675TIP3 OH235333 3.710 -1.201 0.768 9675TIP3 H135334 3.714 -1.112 0.729 9675TIP3 H235335 3.623 -1.195 0.812 9676TIP3 OH235336 4.044 -2.426 0.398 9676TIP3 H135337 4.017 -2.520 0.395 9676TIP3 H235338 3.964 -2.384 0.434 9677TIP3 OH235339 4.278 -1.690 -0.436 9677TIP3 H135340 4.332 -1.715 -0.358 9677TIP3 H235341 4.285 -1.770 -0.489 9678TIP3 OH235342 3.768 -1.453 0.145 9678TIP3 H135343 3.718 -1.500 0.076 9678TIP3 H235344 3.815 -1.525 0.192 9679TIP3 OH235345 3.896 -1.120 0.435 9679TIP3 H135346 3.890 -1.151 0.344 9679TIP3 H235347 3.979 -1.160 0.466 9680TIP3 OH235348 3.810 -1.576 0.507 9680TIP3 H135349 3.871 -1.574 0.432 9680TIP3 H235350 3.850 -1.508 0.566 9681TIP3 OH235351 3.899 -1.139 0.989 9681TIP3 H135352 3.851 -1.069 1.036 9681TIP3 H235353 3.837 -1.160 0.917 9682TIP3 OH235354 4.239 -0.929 0.079 9682TIP3 H135355 4.297 -0.883 0.143 9682TIP3 H235356 4.202 -0.855 0.030 9683TIP3 OH235357 3.710 -0.921 1.071 9683TIP3 H135358 3.704 -0.914 0.974 9683TIP3 H235359 3.619 -0.946 1.097 9684TIP3 OH235360 3.683 -1.561 -0.103 9684TIP3 H135361 3.636 -1.492 -0.154 9684TIP3 H235362 3.626 -1.638 -0.121 9685TIP3 OH235363 3.261 -1.328 0.784 9685TIP3 H135364 3.229 -1.314 0.693 9685TIP3 H235365 3.245 -1.423 0.791 9686TIP3 OH235366 4.174 -1.037 0.941 9686TIP3 H135367 4.182 -0.946 0.973 9686TIP3 H235368 4.082 -1.061 0.959 9687TIP3 OH235369 4.183 -0.655 -0.074 9687TIP3 H135370 4.205 -0.648 -0.168 9687TIP3 H235371 4.205 -0.568 -0.038 9688TIP3 OH235372 3.470 -1.150 0.900 9688TIP3 H135373 3.496 -1.198 0.981 9688TIP3 H235374 3.396 -1.204 0.867 9689TIP3 OH235375 3.798 -2.306 0.480 9689TIP3 H135376 3.717 -2.318 0.428 9689TIP3 H235377 3.769 -2.237 0.541 9690TIP3 OH235378 4.232 -2.373 0.908 9690TIP3 H135379 4.246 -2.445 0.972 9690TIP3 H235380 4.142 -2.393 0.877 9691TIP3 OH235381 4.233 -2.095 -0.417 9691TIP3 H135382 4.170 -2.115 -0.346 9691TIP3 H235383 4.205 -2.157 -0.485 9692TIP3 OH235384 3.784 -1.829 0.634 9692TIP3 H135385 3.706 -1.828 0.690 9692TIP3 H235386 3.787 -1.739 0.595 9693TIP3 OH235387 3.771 -1.813 0.105 9693TIP3 H135388 3.676 -1.833 0.094 9693TIP3 H235389 3.806 -1.847 0.020 9694TIP3 OH235390 -4.346 -1.780 -0.191 9694TIP3 H135391 -4.395 -1.709 -0.147 9694TIP3 H235392 -4.271 -1.789 -0.129 9695TIP3 OH235393 4.247 -1.740 1.145 9695TIP3 H135394 4.195 -1.822 1.159 9695TIP3 H235395 4.337 -1.779 1.143 9696TIP3 OH235396 3.866 -2.047 -0.532 9696TIP3 H135397 3.821 -2.089 -0.456 9696TIP3 H235398 3.791 -2.030 -0.592 9697TIP3 OH235399 3.208 -2.054 0.169 9697TIP3 H135400 3.263 -2.076 0.247 9697TIP3 H235401 3.246 -2.107 0.097 9698TIP3 OH235402 3.364 -2.019 -0.254 9698TIP3 H135403 3.412 -1.973 -0.325 9698TIP3 H235404 3.289 -1.959 -0.240 9699TIP3 OH235405 4.340 -1.684 0.749 9699TIP3 H135406 4.378 -1.745 0.683 9699TIP3 H235407 4.274 -1.743 0.788 9700TIP3 OH235408 4.050 -2.077 0.212 9700TIP3 H135409 3.956 -2.078 0.235 9700TIP3 H235410 4.091 -2.071 0.300 9701TIP3 OH235411 3.513 -1.935 0.076 9701TIP3 H135412 3.426 -1.913 0.039 9701TIP3 H235413 3.534 -2.019 0.032 9702TIP3 OH235414 3.873 -1.896 -0.144 9702TIP3 H135415 3.970 -1.899 -0.151 9702TIP3 H235416 3.843 -1.857 -0.229 9703TIP3 OH235417 3.724 -1.784 -0.368 9703TIP3 H135418 3.662 -1.810 -0.438 9703TIP3 H235419 3.799 -1.752 -0.422 9704TIP3 OH235420 3.582 -1.345 1.102 9704TIP3 H135421 3.651 -1.327 1.168 9704TIP3 H235422 3.502 -1.335 1.157 9705TIP3 OH235423 4.146 -1.842 0.349 9705TIP3 H135424 4.225 -1.888 0.318 9705TIP3 H235425 4.158 -1.850 0.446 9706TIP3 OH235426 3.686 -2.168 0.016 9706TIP3 H135427 3.624 -2.241 0.029 9706TIP3 H235428 3.762 -2.213 -0.024 9707TIP3 OH235429 4.045 -1.970 0.623 9707TIP3 H135430 3.974 -1.905 0.618 9707TIP3 H235431 4.102 -1.933 0.693 9708TIP3 OH235432 4.187 -1.340 0.937 9708TIP3 H135433 4.195 -1.348 1.032 9708TIP3 H235434 4.214 -1.249 0.920 9709TIP3 OH235435 3.578 -1.396 0.407 9709TIP3 H135436 3.624 -1.388 0.322 9709TIP3 H235437 3.595 -1.488 0.430 9710TIP3 OH235438 4.266 -1.211 -0.278 9710TIP3 H135439 4.254 -1.116 -0.256 9710TIP3 H235440 4.174 -1.240 -0.277 9711TIP3 OH235441 3.992 -1.622 1.100 9711TIP3 H135442 3.995 -1.627 1.002 9711TIP3 H235443 4.086 -1.638 1.119 9712TIP3 OH235444 3.817 -1.061 0.113 9712TIP3 H135445 3.859 -0.974 0.114 9712TIP3 H235446 3.724 -1.036 0.108 9713TIP3 OH235447 3.408 -1.578 -0.416 9713TIP3 H135448 3.460 -1.505 -0.380 9713TIP3 H235449 3.318 -1.554 -0.386 9714TIP3 OH235450 3.981 -1.313 0.033 9714TIP3 H135451 3.998 -1.220 0.057 9714TIP3 H235452 3.918 -1.335 0.105 9715TIP3 OH235453 4.021 -0.857 0.719 9715TIP3 H135454 4.077 -0.785 0.683 9715TIP3 H235455 4.087 -0.909 0.766 9716TIP3 OH235456 3.827 -0.759 0.036 9716TIP3 H135457 3.738 -0.743 0.068 9716TIP3 H235458 3.873 -0.676 0.063 9717TIP3 OH235459 3.446 -2.072 0.881 9717TIP3 H135460 3.356 -2.044 0.853 9717TIP3 H235461 3.428 -2.159 0.919 9718TIP3 OH235462 3.427 -0.900 0.709 9718TIP3 H135463 3.443 -0.995 0.705 9718TIP3 H235464 3.438 -0.881 0.802 9719TIP3 OH235465 3.994 -1.048 -0.575 9719TIP3 H135466 4.025 -1.120 -0.634 9719TIP3 H235467 3.965 -1.100 -0.498 9720TIP3 OH235468 3.925 -1.136 -0.277 9720TIP3 H135469 3.925 -1.151 -0.182 9720TIP3 H235470 3.916 -1.039 -0.279 9721TIP3 OH235471 3.554 -1.337 -0.244 9721TIP3 H135472 3.471 -1.301 -0.211 9721TIP3 H235473 3.591 -1.258 -0.288 9722TIP3 OH235474 4.332 -2.066 0.792 9722TIP3 H135475 4.394 -2.139 0.805 9722TIP3 H235476 4.273 -2.105 0.726 9723TIP3 OH235477 4.169 -0.943 -0.252 9723TIP3 H135478 4.091 -0.890 -0.228 9723TIP3 H235479 4.215 -0.882 -0.310 9724TIP3 OH235480 4.137 -1.947 -0.032 9724TIP3 H135481 4.232 -1.939 -0.023 9724TIP3 H235482 4.111 -1.983 0.055 9725TIP3 OH235483 4.164 -1.874 0.877 9725TIP3 H135484 4.189 -1.831 0.960 9725TIP3 H235485 4.230 -1.947 0.871 9726TIP3 OH235486 4.193 -2.269 0.074 9726TIP3 H135487 4.168 -2.191 0.128 9726TIP3 H235488 4.272 -2.238 0.027 9727TIP3 OH235489 3.889 -0.841 -0.243 9727TIP3 H135490 3.891 -0.760 -0.299 9727TIP3 H235491 3.873 -0.803 -0.155 9728TIP3 OH235492 3.768 -2.162 -0.300 9728TIP3 H135493 3.766 -2.090 -0.236 9728TIP3 H235494 3.847 -2.213 -0.274 9729TIP3 OH235495 3.622 -1.085 -0.374 9729TIP3 H135496 3.684 -1.012 -0.357 9729TIP3 H235497 3.664 -1.126 -0.451 9730TIP3 OH235498 3.424 -1.855 -0.475 9730TIP3 H135499 3.429 -1.760 -0.454 9730TIP3 H235500 3.341 -1.861 -0.525 9731TIP3 OH235501 3.517 -2.352 0.401 9731TIP3 H135502 3.498 -2.355 0.305 9731TIP3 H235503 3.483 -2.438 0.431 9732TIP3 OH235504 3.350 -0.709 1.137 9732TIP3 H135505 3.397 -0.743 1.215 9732TIP3 H235506 3.296 -0.787 1.110 9733TIP3 OH235507 3.811 -0.809 1.323 9733TIP3 H135508 3.882 -0.872 1.341 9733TIP3 H235509 3.789 -0.832 1.231 9734TIP3 OH235510 4.230 -0.883 -0.548 9734TIP3 H135511 4.145 -0.931 -0.544 9734TIP3 H235512 4.290 -0.958 -0.564 9735TIP3 OH235513 3.345 -1.351 1.247 9735TIP3 H135514 3.328 -1.446 1.237 9735TIP3 H235515 3.270 -1.314 1.195 9736TIP3 OH235516 3.766 -1.309 -0.534 9736TIP3 H135517 3.773 -1.395 -0.490 9736TIP3 H235518 3.846 -1.310 -0.590 9737TIP3 OH235519 3.999 -1.332 1.190 9737TIP3 H135520 3.982 -1.293 1.102 9737TIP3 H235521 4.016 -1.425 1.170 9738TIP3 OH235522 4.265 -1.173 -0.586 9738TIP3 H135523 4.283 -1.165 -0.491 9738TIP3 H235524 4.246 -1.269 -0.594 9739TIP3 OH235525 3.721 -1.668 0.900 9739TIP3 H135526 3.753 -1.605 0.967 9739TIP3 H235527 3.804 -1.682 0.851 9740TIP3 OH235528 3.983 -1.668 -0.458 9740TIP3 H135529 3.960 -1.670 -0.552 9740TIP3 H235530 4.080 -1.668 -0.463 9741TIP3 OH235531 4.278 -1.476 1.285 9741TIP3 H135532 4.353 -1.501 1.230 9741TIP3 H235533 4.270 -1.556 1.339 9742TIP3 OH235534 3.856 -1.994 1.031 9742TIP3 H135535 3.862 -2.064 0.963 9742TIP3 H235536 3.849 -1.916 0.976 9743TIP3 OH235537 3.885 -2.143 0.777 9743TIP3 H135538 3.936 -2.093 0.710 9743TIP3 H235539 3.795 -2.147 0.739 9744TIP3 OH235540 4.050 -1.607 0.813 9744TIP3 H135541 4.130 -1.617 0.758 9744TIP3 H235542 4.025 -1.516 0.790 9745TIP3 OH235543 3.655 -1.799 1.170 9745TIP3 H135544 3.609 -1.870 1.219 9745TIP3 H235545 3.746 -1.834 1.168 9746TIP3 OH235546 3.971 -2.409 0.810 9746TIP3 H135547 3.946 -2.316 0.793 9746TIP3 H235548 3.905 -2.457 0.755 9747TIP3 OH235549 4.101 -1.962 1.185 9747TIP3 H135550 4.068 -1.994 1.271 9747TIP3 H235551 4.028 -1.989 1.127 9748TIP3 OH235552 3.536 -2.065 1.193 9748TIP3 H135553 3.530 -2.139 1.129 9748TIP3 H235554 3.519 -2.112 1.277 9749TIP3 OH235555 3.947 -2.462 1.093 9749TIP3 H135556 4.004 -2.540 1.098 9749TIP3 H235557 3.943 -2.449 0.996 9750TIP3 OH235558 4.037 -2.280 1.285 9750TIP3 H135559 4.011 -2.339 1.211 9750TIP3 H235560 3.968 -2.213 1.281 9751TIP3 OH235561 3.957 -0.584 -0.373 9751TIP3 H135562 4.052 -0.568 -0.366 9751TIP3 H235563 3.936 -0.531 -0.452 9752TIP3 OH235564 3.322 -1.131 -0.420 9752TIP3 H135565 3.415 -1.115 -0.399 9752TIP3 H235566 3.325 -1.210 -0.477 9753TIP3 OH235567 3.270 -1.479 0.499 9753TIP3 H135568 3.281 -1.459 0.405 9753TIP3 H235569 3.362 -1.474 0.530 9754TIP3 OH235570 3.283 -1.942 1.134 9754TIP3 H135571 3.370 -1.985 1.142 9754TIP3 H235572 3.224 -2.020 1.135 9755TIP3 OH235573 3.349 -2.108 0.411 9755TIP3 H135574 3.390 -2.196 0.419 9755TIP3 H235575 3.419 -2.051 0.449 9756TIP3 OH235576 3.208 -1.833 0.525 9756TIP3 H135577 3.251 -1.851 0.440 9756TIP3 H235578 3.247 -1.747 0.547 9757TIP3 OH235579 3.250 -2.203 -0.072 9757TIP3 H135580 3.156 -2.206 -0.098 9757TIP3 H235581 3.290 -2.149 -0.143 9758TIP3 OH235582 3.258 -2.317 0.737 9758TIP3 H135583 3.187 -2.348 0.796 9758TIP3 H235584 3.206 -2.268 0.671 9759TIP3 OH235585 3.446 -1.016 1.201 9759TIP3 H135586 3.372 -1.008 1.138 9759TIP3 H235587 3.401 -1.010 1.285 9760TIP3 OH235588 3.748 -0.914 0.779 9760TIP3 H135589 3.706 -0.836 0.736 9760TIP3 H235590 3.842 -0.897 0.756 9761TIP3 OH235591 4.219 -0.749 1.062 9761TIP3 H135592 4.206 -0.786 1.150 9761TIP3 H235593 4.314 -0.728 1.066 9762TIP3 OH235594 3.459 -0.581 0.798 9762TIP3 H135595 3.385 -0.552 0.744 9762TIP3 H235596 3.416 -0.608 0.880 9763TIP3 OH235597 3.725 -0.637 0.670 9763TIP3 H135598 3.636 -0.616 0.705 9763TIP3 H235599 3.731 -0.574 0.596 9764TIP3 OH235600 4.194 -0.660 0.618 9764TIP3 H135601 4.178 -0.612 0.535 9764TIP3 H235602 4.261 -0.605 0.660 9765TIP3 OH235603 3.624 -0.854 0.312 9765TIP3 H135604 3.591 -0.930 0.364 9765TIP3 H235605 3.698 -0.824 0.368 9766TIP3 OH235606 3.908 -0.811 0.430 9766TIP3 H135607 3.921 -0.904 0.408 9766TIP3 H235608 3.913 -0.813 0.527 9767TIP3 OH235609 4.259 -2.254 0.364 9767TIP3 H135610 4.180 -2.310 0.377 9767TIP3 H235611 4.300 -2.297 0.289 9768TIP3 OH235612 3.482 -2.355 0.117 9768TIP3 H135613 3.395 -2.366 0.074 9768TIP3 H235614 3.521 -2.443 0.103 9769TIP3 OH235615 3.369 -2.409 -0.290 9769TIP3 H135616 3.412 -2.342 -0.347 9769TIP3 H235617 3.317 -2.354 -0.230 9770TIP3 OH235618 3.932 -2.368 0.106 9770TIP3 H135619 4.027 -2.345 0.098 9770TIP3 H235620 3.926 -2.385 0.201 9771TIP3 OH235621 3.531 -2.225 -0.449 9771TIP3 H135622 3.590 -2.279 -0.504 9771TIP3 H235623 3.593 -2.192 -0.382 9772TIP3 OH235624 4.079 -2.199 -0.191 9772TIP3 H135625 4.067 -2.268 -0.123 9772TIP3 H235626 4.049 -2.119 -0.145 9773TIP3 OH235627 4.264 -0.650 -0.366 9773TIP3 H135628 4.350 -0.608 -0.384 9773TIP3 H235629 4.249 -0.704 -0.446 9774TIP3 OH235630 3.464 -2.323 1.074 9774TIP3 H135631 3.418 -2.404 1.102 9774TIP3 H235632 3.555 -2.347 1.094 9775TIP3 OH235633 3.702 -2.392 1.247 9775TIP3 H135634 3.782 -2.430 1.206 9775TIP3 H235635 3.662 -2.472 1.287 9776TIP3 OH235636 3.520 -0.725 -0.493 9776TIP3 H135637 3.502 -0.680 -0.409 9776TIP3 H235638 3.606 -0.766 -0.479 9777TIP3 OH235639 -3.161 0.406 0.146 9777TIP3 H135640 -3.163 0.503 0.151 9777TIP3 H235641 -3.236 0.388 0.088 9778TIP3 OH235642 -3.267 0.351 0.456 9778TIP3 H135643 -3.272 0.287 0.528 9778TIP3 H235644 -3.293 0.295 0.381 9779TIP3 OH235645 -4.031 0.308 0.617 9779TIP3 H135646 -4.032 0.233 0.680 9779TIP3 H235647 -3.957 0.360 0.650 9780TIP3 OH235648 -2.903 0.625 0.283 9780TIP3 H135649 -2.941 0.551 0.333 9780TIP3 H235650 -2.876 0.684 0.354 9781TIP3 OH235651 -3.960 0.768 0.471 9781TIP3 H135652 -3.988 0.679 0.440 9781TIP3 H235653 -3.865 0.753 0.482 9782TIP3 OH235654 -4.182 0.190 -0.072 9782TIP3 H135655 -4.218 0.267 -0.025 9782TIP3 H235656 -4.221 0.119 -0.020 9783TIP3 OH235657 -4.211 0.349 0.181 9783TIP3 H135658 -4.182 0.281 0.244 9783TIP3 H235659 -4.128 0.387 0.150 9784TIP3 OH235660 -3.197 1.161 0.340 9784TIP3 H135661 -3.141 1.088 0.307 9784TIP3 H235662 -3.230 1.125 0.424 9785TIP3 OH235663 -3.425 0.599 0.510 9785TIP3 H135664 -3.395 0.529 0.449 9785TIP3 H235665 -3.342 0.613 0.559 9786TIP3 OH235666 -3.092 0.027 0.560 9786TIP3 H135667 -3.088 -0.071 0.562 9786TIP3 H235668 -3.108 0.041 0.465 9787TIP3 OH235669 -3.809 -0.157 0.263 9787TIP3 H135670 -3.785 -0.076 0.214 9787TIP3 H235671 -3.833 -0.217 0.191 9788TIP3 OH235672 -3.020 -0.150 0.104 9788TIP3 H135673 -2.970 -0.199 0.171 9788TIP3 H235674 -2.951 -0.103 0.055 9789TIP3 OH235675 -4.137 0.108 0.322 9789TIP3 H135676 -4.076 0.064 0.383 9789TIP3 H235677 -4.121 0.056 0.241 9790TIP3 OH235678 -3.593 0.244 0.266 9790TIP3 H135679 -3.521 0.189 0.303 9790TIP3 H235680 -3.642 0.179 0.213 9791TIP3 OH235681 -3.921 -0.288 0.690 9791TIP3 H135682 -3.956 -0.251 0.607 9791TIP3 H235683 -3.985 -0.256 0.755 9792TIP3 OH235684 -3.161 0.697 0.017 9792TIP3 H135685 -3.206 0.660 -0.060 9792TIP3 H235686 -3.216 0.775 0.038 9793TIP3 OH235687 -3.622 0.502 0.697 9793TIP3 H135688 -3.697 0.560 0.721 9793TIP3 H235689 -3.563 0.562 0.648 9794TIP3 OH235690 -3.957 -0.078 0.477 9794TIP3 H135691 -3.888 -0.023 0.518 9794TIP3 H235692 -3.903 -0.120 0.406 9795TIP3 OH235693 -3.827 0.688 0.772 9795TIP3 H135694 -3.830 0.777 0.732 9795TIP3 H235695 -3.917 0.682 0.809 9796TIP3 OH235696 -2.842 0.802 0.534 9796TIP3 H135697 -2.939 0.812 0.534 9796TIP3 H235698 -2.815 0.890 0.503 9797TIP3 OH235699 -3.017 0.997 0.196 9797TIP3 H135700 -2.973 0.917 0.160 9797TIP3 H235701 -2.952 1.066 0.174 9798TIP3 OH235702 -2.871 0.781 0.042 9798TIP3 H135703 -2.934 0.738 -0.017 9798TIP3 H235704 -2.875 0.723 0.120 9799TIP3 OH235705 -3.295 0.362 -0.129 9799TIP3 H135706 -3.366 0.416 -0.170 9799TIP3 H235707 -3.227 0.363 -0.198 9800TIP3 OH235708 -3.266 0.177 -0.424 9800TIP3 H135709 -3.194 0.207 -0.366 9800TIP3 H235710 -3.218 0.116 -0.482 9801TIP3 OH235711 -2.946 0.366 -0.027 9801TIP3 H135712 -3.014 0.378 0.043 9801TIP3 H235713 -2.883 0.306 0.018 9802TIP3 OH235714 -2.941 0.194 0.856 9802TIP3 H135715 -2.945 0.268 0.918 9802TIP3 H235716 -3.010 0.221 0.792 9803TIP3 OH235717 -3.784 0.435 0.156 9803TIP3 H135718 -3.818 0.400 0.071 9803TIP3 H235719 -3.721 0.365 0.182 9804TIP3 OH235720 -3.648 0.774 0.432 9804TIP3 H135721 -3.662 0.741 0.342 9804TIP3 H235722 -3.568 0.725 0.459 9805TIP3 OH235723 -3.730 0.317 0.505 9805TIP3 H135724 -3.674 0.315 0.424 9805TIP3 H235725 -3.684 0.382 0.561 9806TIP3 OH235726 -3.131 0.867 0.561 9806TIP3 H135727 -3.129 0.933 0.632 9806TIP3 H235728 -3.151 0.784 0.607 9807TIP3 OH235729 -3.642 0.747 0.988 9807TIP3 H135730 -3.695 0.813 1.035 9807TIP3 H235731 -3.705 0.719 0.918 9808TIP3 OH235732 -3.046 0.308 -0.284 9808TIP3 H135733 -3.002 0.332 -0.200 9808TIP3 H235734 -2.991 0.356 -0.350 9809TIP3 OH235735 -3.954 0.380 0.905 9809TIP3 H135736 -3.948 0.441 0.981 9809TIP3 H235737 -4.050 0.378 0.890 9810TIP3 OH235738 -3.297 0.963 0.078 9810TIP3 H135739 -3.258 0.993 0.161 9810TIP3 H235740 -3.354 1.037 0.052 9811TIP3 OH235741 -3.835 0.963 1.072 9811TIP3 H135742 -3.841 0.968 0.975 9811TIP3 H235743 -3.927 0.944 1.098 9812TIP3 OH235744 -2.696 -0.522 -0.349 9812TIP3 H135745 -2.764 -0.532 -0.279 9812TIP3 H235746 -2.642 -0.451 -0.314 9813TIP3 OH235747 -3.895 0.313 -0.095 9813TIP3 H135748 -3.922 0.397 -0.139 9813TIP3 H235749 -3.973 0.258 -0.115 9814TIP3 OH235750 -4.267 0.591 0.762 9814TIP3 H135751 -4.286 0.558 0.672 9814TIP3 H235752 -4.306 0.520 0.815 9815TIP3 OH235753 -4.284 0.866 0.463 9815TIP3 H135754 -4.197 0.826 0.476 9815TIP3 H235755 -4.296 0.920 0.541 9816TIP3 OH235756 -2.450 0.924 1.041 9816TIP3 H135757 -2.466 0.829 1.027 9816TIP3 H235758 -2.533 0.952 1.083 9817TIP3 OH235759 -3.379 0.852 0.931 9817TIP3 H135760 -3.372 0.934 0.983 9817TIP3 H235761 -3.469 0.821 0.953 9818TIP3 OH235762 -3.359 1.243 -0.063 9818TIP3 H135763 -3.354 1.232 -0.160 9818TIP3 H235764 -3.333 1.335 -0.049 9819TIP3 OH235765 -3.984 1.145 0.092 9819TIP3 H135766 -3.962 1.100 0.175 9819TIP3 H235767 -4.052 1.083 0.058 9820TIP3 OH235768 -3.014 1.172 -0.363 9820TIP3 H135769 -2.957 1.108 -0.410 9820TIP3 H235770 -3.020 1.131 -0.275 9821TIP3 OH235771 -3.079 1.126 -0.072 9821TIP3 H135772 -3.176 1.127 -0.063 9821TIP3 H235773 -3.060 1.047 -0.019 9822TIP3 OH235774 -2.767 0.062 1.085 9822TIP3 H135775 -2.814 0.102 1.010 9822TIP3 H235776 -2.770 -0.031 1.059 9823TIP3 OH235777 -4.074 0.732 0.912 9823TIP3 H135778 -4.042 0.671 0.981 9823TIP3 H235779 -4.148 0.682 0.870 9824TIP3 OH235780 -3.730 -0.373 0.482 9824TIP3 H135781 -3.779 -0.437 0.429 9824TIP3 H235782 -3.784 -0.362 0.561 9825TIP3 OH235783 -3.309 -0.458 0.894 9825TIP3 H135784 -3.255 -0.535 0.918 9825TIP3 H235785 -3.394 -0.498 0.867 9826TIP3 OH235786 -2.945 -0.105 0.916 9826TIP3 H135787 -3.021 -0.127 0.973 9826TIP3 H235788 -2.973 -0.024 0.871 9827TIP3 OH235789 -2.873 0.414 -0.481 9827TIP3 H135790 -2.893 0.391 -0.574 9827TIP3 H235791 -2.783 0.446 -0.489 9828TIP3 OH235792 -3.331 -0.213 -0.425 9828TIP3 H135793 -3.379 -0.228 -0.343 9828TIP3 H235794 -3.369 -0.282 -0.481 9829TIP3 OH235795 -3.757 0.059 0.627 9829TIP3 H135796 -3.825 0.067 0.695 9829TIP3 H235797 -3.755 0.148 0.586 9830TIP3 OH235798 -3.769 0.068 0.108 9830TIP3 H135799 -3.864 0.062 0.091 9830TIP3 H235800 -3.733 0.048 0.019 9831TIP3 OH235801 -3.207 0.123 -0.008 9831TIP3 H135802 -3.251 0.203 -0.045 9831TIP3 H235803 -3.140 0.105 -0.076 9832TIP3 OH235804 -3.284 0.141 1.134 9832TIP3 H135805 -3.335 0.063 1.162 9832TIP3 H235806 -3.195 0.120 1.168 9833TIP3 OH235807 -3.109 0.066 0.267 9833TIP3 H135808 -3.145 0.120 0.195 9833TIP3 H235809 -3.098 -0.019 0.220 9834TIP3 OH235810 -4.025 0.074 0.809 9834TIP3 H135811 -3.993 0.109 0.893 9834TIP3 H235812 -4.055 -0.015 0.835 9835TIP3 OH235813 -3.686 -0.169 -0.536 9835TIP3 H135814 -3.721 -0.203 -0.451 9835TIP3 H235815 -3.766 -0.155 -0.588 9836TIP3 OH235816 -4.327 -0.176 0.173 9836TIP3 H135817 -4.302 -0.193 0.266 9836TIP3 H235818 -4.272 -0.239 0.126 9837TIP3 OH235819 -4.212 -0.115 -0.239 9837TIP3 H135820 -4.149 -0.094 -0.310 9837TIP3 H235821 -4.295 -0.085 -0.279 9838TIP3 OH235822 -3.198 0.226 0.720 9838TIP3 H135823 -3.161 0.154 0.664 9838TIP3 H235824 -3.241 0.176 0.790 9839TIP3 OH235825 -3.487 -0.167 0.222 9839TIP3 H135826 -3.581 -0.189 0.238 9839TIP3 H235827 -3.446 -0.214 0.297 9840TIP3 OH235828 -4.043 -0.055 0.080 9840TIP3 H135829 -4.114 -0.044 0.017 9840TIP3 H235830 -3.998 -0.135 0.045 9841TIP3 OH235831 -3.672 -0.022 -0.150 9841TIP3 H135832 -3.575 -0.014 -0.144 9841TIP3 H235833 -3.697 0.041 -0.220 9842TIP3 OH235834 -3.085 -0.249 0.518 9842TIP3 H135835 -3.129 -0.278 0.599 9842TIP3 H235836 -3.113 -0.319 0.457 9843TIP3 OH235837 -3.824 0.100 -0.375 9843TIP3 H135838 -3.882 0.072 -0.447 9843TIP3 H235839 -3.743 0.123 -0.422 9844TIP3 OH235840 -2.750 1.314 1.182 9844TIP3 H135841 -2.727 1.360 1.099 9844TIP3 H235842 -2.679 1.345 1.242 9845TIP3 OH235843 -3.952 0.576 1.125 9845TIP3 H135844 -3.890 0.580 1.200 9845TIP3 H235845 -4.037 0.586 1.173 9846TIP3 OH235846 -3.381 0.082 0.403 9846TIP3 H135847 -3.323 0.029 0.347 9846TIP3 H235848 -3.406 0.016 0.471 9847TIP3 OH235849 -3.875 -0.285 0.014 9847TIP3 H135850 -3.913 -0.372 0.028 9847TIP3 H235851 -3.786 -0.309 -0.014 9848TIP3 OH235852 -3.483 -0.071 0.618 9848TIP3 H135853 -3.568 -0.025 0.621 9848TIP3 H235854 -3.444 -0.054 0.706 9849TIP3 OH235855 -3.477 0.566 -0.191 9849TIP3 H135856 -3.554 0.518 -0.231 9849TIP3 H235857 -3.501 0.567 -0.096 9850TIP3 OH235858 -2.749 0.491 0.713 9850TIP3 H135859 -2.682 0.516 0.647 9850TIP3 H235860 -2.820 0.458 0.656 9851TIP3 OH235861 -3.062 -0.151 -0.412 9851TIP3 H135862 -3.161 -0.157 -0.414 9851TIP3 H235863 -3.046 -0.079 -0.348 9852TIP3 OH235864 -3.299 0.565 0.944 9852TIP3 H135865 -3.337 0.527 1.024 9852TIP3 H235866 -3.340 0.653 0.942 9853TIP3 OH235867 -2.996 0.031 -0.204 9853TIP3 H135868 -2.908 0.011 -0.168 9853TIP3 H235869 -2.980 0.115 -0.252 9854TIP3 OH235870 -3.972 0.496 0.384 9854TIP3 H135871 -3.912 0.487 0.307 9854TIP3 H235872 -3.959 0.411 0.429 9855TIP3 OH235873 -3.237 0.697 -0.295 9855TIP3 H135874 -3.263 0.782 -0.254 9855TIP3 H235875 -3.314 0.641 -0.271 9856TIP3 OH235876 -4.242 0.347 0.950 9856TIP3 H135877 -4.230 0.279 1.018 9856TIP3 H235878 -4.287 0.296 0.879 9857TIP3 OH235879 -3.540 0.279 1.120 9857TIP3 H135880 -3.578 0.252 1.034 9857TIP3 H235881 -3.448 0.250 1.108 9858TIP3 OH235882 -3.079 0.829 0.900 9858TIP3 H135883 -3.173 0.823 0.874 9858TIP3 H235884 -3.088 0.853 0.994 9859TIP3 OH235885 -2.532 0.643 1.015 9859TIP3 H135886 -2.594 0.623 0.944 9859TIP3 H235887 -2.450 0.621 0.965 9860TIP3 OH235888 -2.704 0.891 -0.235 9860TIP3 H135889 -2.741 0.812 -0.193 9860TIP3 H235890 -2.648 0.856 -0.305 9861TIP3 OH235891 -2.978 0.414 0.524 9861TIP3 H135892 -3.070 0.398 0.495 9861TIP3 H235893 -2.933 0.340 0.478 9862TIP3 OH235894 -3.730 0.833 0.132 9862TIP3 H135895 -3.690 0.916 0.101 9862TIP3 H235896 -3.816 0.835 0.088 9863TIP3 OH235897 -4.150 0.334 -0.407 9863TIP3 H135898 -4.078 0.386 -0.364 9863TIP3 H235899 -4.222 0.394 -0.384 9864TIP3 OH235900 -3.541 0.601 0.088 9864TIP3 H135901 -3.578 0.690 0.096 9864TIP3 H235902 -3.614 0.546 0.122 9865TIP3 OH235903 -3.527 1.025 0.718 9865TIP3 H135904 -3.471 1.098 0.687 9865TIP3 H235905 -3.464 0.975 0.773 9866TIP3 OH235906 -3.681 1.120 0.041 9866TIP3 H135907 -3.777 1.127 0.047 9866TIP3 H235908 -3.652 1.210 0.063 9867TIP3 OH235909 -3.170 0.601 0.685 9867TIP3 H135910 -3.211 0.564 0.765 9867TIP3 H235911 -3.110 0.530 0.657 9868TIP3 OH235912 -2.964 0.738 -0.426 9868TIP3 H135913 -2.922 0.689 -0.354 9868TIP3 H235914 -3.058 0.720 -0.407 9869TIP3 OH235915 -2.890 1.056 0.913 9869TIP3 H135916 -2.966 1.013 0.868 9869TIP3 H235917 -2.877 1.136 0.859 9870TIP3 OH235918 -4.110 -0.188 0.900 9870TIP3 H135919 -4.185 -0.166 0.841 9870TIP3 H235920 -4.122 -0.283 0.920 9871TIP3 OH235921 -2.818 0.589 -0.196 9871TIP3 H135922 -2.875 0.522 -0.155 9871TIP3 H235923 -2.740 0.580 -0.142 9872TIP3 OH235924 -4.129 0.974 0.726 9872TIP3 H135925 -4.111 0.879 0.731 9872TIP3 H235926 -4.093 1.003 0.811 9873TIP3 OH235927 -3.542 0.834 -0.576 9873TIP3 H135928 -3.518 0.752 -0.621 9873TIP3 H235929 -3.591 0.799 -0.498 9874TIP3 OH235930 -3.648 0.788 -0.325 9874TIP3 H135931 -3.645 0.727 -0.250 9874TIP3 H235932 -3.667 0.874 -0.283 9875TIP3 OH235933 -3.218 -0.192 0.779 9875TIP3 H135934 -3.131 -0.211 0.818 9875TIP3 H235935 -3.261 -0.280 0.785 9876TIP3 OH235936 -3.136 -0.279 -0.134 9876TIP3 H135937 -3.121 -0.224 -0.213 9876TIP3 H235938 -3.095 -0.227 -0.063 9877TIP3 OH235939 -3.356 0.970 -0.237 9877TIP3 H135940 -3.451 0.990 -0.232 9877TIP3 H235941 -3.336 0.990 -0.330 9878TIP3 OH235942 -3.405 -0.079 -0.043 9878TIP3 H135943 -3.329 -0.019 -0.028 9878TIP3 H235944 -3.434 -0.098 0.048 9879TIP3 OH235945 -3.386 0.007 0.887 9879TIP3 H135946 -3.350 0.063 0.957 9879TIP3 H235947 -3.318 -0.063 0.875 9880TIP3 OH235948 -3.341 -0.379 0.047 9880TIP3 H135949 -3.358 -0.318 0.121 9880TIP3 H235950 -3.269 -0.335 -0.001 9881TIP3 OH235951 -3.638 1.061 -0.243 9881TIP3 H135952 -3.652 1.142 -0.296 9881TIP3 H235953 -3.657 1.091 -0.153 9882TIP3 OH235954 -3.773 -0.275 -0.295 9882TIP3 H135955 -3.768 -0.198 -0.236 9882TIP3 H235956 -3.694 -0.325 -0.266 9883TIP3 OH235957 -2.874 0.188 0.380 9883TIP3 H135958 -2.954 0.147 0.340 9883TIP3 H235959 -2.824 0.109 0.405 9884TIP3 OH235960 -4.114 0.025 -0.472 9884TIP3 H135961 -4.103 0.120 -0.452 9884TIP3 H235962 -4.195 0.021 -0.523 9885TIP3 OH235963 -2.777 1.086 0.519 9885TIP3 H135964 -2.804 1.158 0.459 9885TIP3 H235965 -2.681 1.103 0.523 9886TIP3 OH235966 -4.041 -0.472 0.405 9886TIP3 H135967 -4.054 -0.477 0.308 9886TIP3 H235968 -4.071 -0.561 0.434 9887TIP3 OH235969 -4.130 0.914 0.035 9887TIP3 H135970 -4.226 0.905 0.024 9887TIP3 H235971 -4.098 0.881 -0.050 9888TIP3 OH235972 -4.215 1.166 1.148 9888TIP3 H135973 -4.151 1.166 1.222 9888TIP3 H235974 -4.214 1.071 1.131 9889TIP3 OH235975 -3.727 1.079 1.321 9889TIP3 H135976 -3.657 1.014 1.341 9889TIP3 H235977 -3.750 1.053 1.231 9890TIP3 OH235978 -3.323 1.002 -0.521 9890TIP3 H135979 -3.400 0.942 -0.536 9890TIP3 H235980 -3.253 0.951 -0.564 9891TIP3 OH235981 -3.061 0.892 1.173 9891TIP3 H135982 -3.116 0.824 1.216 9891TIP3 H235983 -3.009 0.926 1.248 9892TIP3 OH235984 -2.825 1.006 -0.536 9892TIP3 H135985 -2.823 0.916 -0.501 9892TIP3 H235986 -2.760 1.001 -0.607 9893TIP3 OH235987 -4.199 0.572 1.211 9893TIP3 H135988 -4.189 0.482 1.176 9893TIP3 H235989 -4.285 0.598 1.174 9894TIP3 OH235990 -3.777 0.571 -0.562 9894TIP3 H135991 -3.776 0.548 -0.468 9894TIP3 H235992 -3.684 0.567 -0.586 9895TIP3 OH235993 -3.539 0.556 1.188 9895TIP3 H135994 -3.569 0.588 1.102 9895TIP3 H235995 -3.530 0.460 1.173 9896TIP3 OH235996 -3.252 0.710 -0.582 9896TIP3 H135997 -3.264 0.704 -0.485 9896TIP3 H235998 -3.260 0.615 -0.605 9897TIP3 OH235999 -2.952 0.568 0.943 9897TIP3 H136000 -2.906 0.565 0.857 9897TIP3 H236001 -3.041 0.600 0.917 9898TIP3 OH236002 -4.135 0.241 1.188 9898TIP3 H136003 -4.054 0.187 1.175 9898TIP3 H236004 -4.122 0.271 1.279 9899TIP3 OH236005 -3.662 0.386 -0.307 9899TIP3 H136006 -3.738 0.349 -0.259 9899TIP3 H236007 -3.645 0.317 -0.373 9900TIP3 OH236008 -3.751 0.166 0.922 9900TIP3 H136009 -3.806 0.246 0.931 9900TIP3 H236010 -3.689 0.192 0.851 9901TIP3 OH236011 -3.577 0.184 -0.487 9901TIP3 H136012 -3.579 0.197 -0.583 9901TIP3 H236013 -3.481 0.184 -0.469 9902TIP3 OH236014 -3.218 0.435 1.272 9902TIP3 H136015 -3.129 0.414 1.239 9902TIP3 H236016 -3.246 0.349 1.305 9903TIP3 OH236017 -3.688 -0.107 1.033 9903TIP3 H136018 -3.680 -0.174 0.962 9903TIP3 H236019 -3.704 -0.027 0.980 9904TIP3 OH236020 -3.658 -0.254 0.778 9904TIP3 H136021 -3.605 -0.217 0.706 9904TIP3 H236022 -3.747 -0.259 0.737 9905TIP3 OH236023 -3.494 0.289 0.819 9905TIP3 H136024 -3.417 0.275 0.761 9905TIP3 H236025 -3.532 0.371 0.783 9906TIP3 OH236026 -3.040 0.061 1.305 9906TIP3 H136027 -3.015 -0.030 1.285 9906TIP3 H236028 -2.954 0.105 1.300 9907TIP3 OH236029 -2.954 0.350 1.130 9907TIP3 H136030 -2.970 0.424 1.068 9907TIP3 H236031 -2.860 0.330 1.110 9908TIP3 OH236032 -3.878 0.080 1.210 9908TIP3 H136033 -3.928 -0.004 1.207 9908TIP3 H236034 -3.799 0.056 1.159 9909TIP3 OH236035 -3.578 -0.529 0.812 9909TIP3 H136036 -3.598 -0.435 0.790 9909TIP3 H236037 -3.640 -0.575 0.752 9910TIP3 OH236038 -3.454 -0.075 1.203 9910TIP3 H136039 -3.512 -0.089 1.280 9910TIP3 H236040 -3.520 -0.089 1.131 9911TIP3 OH236041 -3.184 -0.162 1.086 9911TIP3 H136042 -3.280 -0.166 1.096 9911TIP3 H236043 -3.155 -0.227 1.152 9912TIP3 OH236044 -3.079 -0.295 1.342 9912TIP3 H136045 -3.044 -0.374 1.294 9912TIP3 H236046 -3.007 -0.275 1.402 9913TIP3 OH236047 -4.004 -0.174 1.195 9913TIP3 H136048 -4.016 -0.243 1.127 9913TIP3 H236049 -4.033 -0.220 1.276 9914TIP3 OH236050 -3.590 -0.572 1.100 9914TIP3 H136051 -3.531 -0.650 1.098 9914TIP3 H236052 -3.599 -0.557 1.003 9915TIP3 OH236053 -3.480 -0.384 1.302 9915TIP3 H136054 -3.497 -0.442 1.224 9915TIP3 H236055 -3.554 -0.321 1.292 9916TIP3 OH236056 -3.601 1.327 -0.369 9916TIP3 H136057 -3.504 1.321 -0.369 9916TIP3 H236058 -3.619 1.347 -0.462 9917TIP3 OH236059 -4.184 0.807 -0.463 9917TIP3 H136060 -4.141 0.783 -0.379 9917TIP3 H236061 -4.219 0.720 -0.488 9918TIP3 OH236062 -4.281 1.086 0.249 9918TIP3 H136063 -4.274 0.992 0.274 9918TIP3 H236064 -4.242 1.128 0.326 9919TIP3 OH236065 -2.507 1.190 0.549 9919TIP3 H136066 -2.491 1.202 0.643 9919TIP3 H236067 -2.428 1.232 0.511 9920TIP3 OH236068 -2.542 1.135 0.840 9920TIP3 H136069 -2.574 1.055 0.797 9920TIP3 H236070 -2.474 1.096 0.899 9921TIP3 OH236071 -2.751 0.722 1.247 9921TIP3 H136072 -2.815 0.689 1.314 9921TIP3 H236073 -2.681 0.758 1.304 9922TIP3 OH236074 -2.539 0.601 0.537 9922TIP3 H136075 -2.468 0.575 0.478 9922TIP3 H236076 -2.549 0.695 0.512 9923TIP3 OH236077 -2.726 0.852 0.811 9923TIP3 H136078 -2.770 0.938 0.810 9923TIP3 H236079 -2.736 0.825 0.718 9924TIP3 OH236080 -2.677 0.070 -0.465 9924TIP3 H136081 -2.658 0.120 -0.545 9924TIP3 H236082 -2.687 -0.020 -0.500 9925TIP3 OH236083 -2.749 0.198 0.091 9925TIP3 H136084 -2.734 0.103 0.091 9925TIP3 H236085 -2.760 0.217 0.185 9926TIP3 OH236086 -4.256 0.437 0.519 9926TIP3 H136087 -4.226 0.458 0.430 9926TIP3 H236088 -4.176 0.394 0.556 9927TIP3 OH236089 -2.673 0.370 1.057 9927TIP3 H136090 -2.612 0.294 1.058 9927TIP3 H236091 -2.615 0.441 1.027 9928TIP3 OH236092 -2.513 0.153 1.163 9928TIP3 H136093 -2.573 0.098 1.111 9928TIP3 H236094 -2.424 0.118 1.143 9929TIP3 OH236095 -2.724 -0.200 -0.536 9929TIP3 H136096 -2.690 -0.271 -0.481 9929TIP3 H236097 -2.803 -0.241 -0.575 9930TIP3 OH236098 -2.757 -0.071 -0.073 9930TIP3 H136099 -2.738 -0.165 -0.088 9930TIP3 H236100 -2.683 -0.025 -0.115 9931TIP3 OH236101 -2.680 0.067 0.746 9931TIP3 H136102 -2.772 0.086 0.771 9931TIP3 H236103 -2.645 0.153 0.720 9932TIP3 OH236104 -4.282 -0.067 1.148 9932TIP3 H136105 -4.201 -0.105 1.112 9932TIP3 H236106 -4.345 -0.141 1.144 9933TIP3 OH236107 -4.194 -0.215 0.444 9933TIP3 H136108 -4.159 -0.305 0.439 9933TIP3 H236109 -4.113 -0.162 0.457 9934TIP3 OH236110 -4.335 0.049 0.526 9934TIP3 H136111 -4.295 -0.009 0.460 9934TIP3 H236112 -4.309 0.136 0.494 9935TIP3 OH236113 -2.539 -0.312 1.121 9935TIP3 H136114 -2.628 -0.277 1.117 9935TIP3 H236115 -2.527 -0.350 1.033 9936TIP3 OH236116 -4.314 -0.343 -0.124 9936TIP3 H136117 -4.399 -0.311 -0.159 9936TIP3 H236118 -4.255 -0.271 -0.154 9937TIP3 OH236119 -2.827 1.210 0.128 9937TIP3 H136120 -2.779 1.178 0.050 9937TIP3 H236121 -2.753 1.243 0.182 9938TIP3 OH236122 -4.292 -0.442 0.716 9938TIP3 H136123 -4.363 -0.451 0.785 9938TIP3 H236124 -4.336 -0.399 0.641 9939TIP3 OH236125 -4.120 0.910 1.183 9939TIP3 H136126 -4.165 0.845 1.128 9939TIP3 H236127 -4.136 0.874 1.273 9940TIP3 OH236128 -3.802 0.977 0.777 9940TIP3 H136129 -3.833 1.059 0.735 9940TIP3 H236130 -3.707 0.983 0.756 9941TIP3 OH236131 -3.351 1.103 1.073 9941TIP3 H136132 -3.339 1.089 1.168 9941TIP3 H236133 -3.269 1.150 1.049 9942TIP3 OH236134 -3.123 1.249 0.997 9942TIP3 H136135 -3.055 1.185 0.973 9942TIP3 H236136 -3.091 1.280 1.084 9943TIP3 OH236137 -4.068 1.282 0.798 9943TIP3 H136138 -4.137 1.329 0.748 9943TIP3 H236139 -4.103 1.286 0.887 9944TIP3 OH236140 -3.816 1.248 0.664 9944TIP3 H136141 -3.904 1.264 0.703 9944TIP3 H236142 -3.816 1.312 0.590 9945TIP3 OH236143 -3.340 1.245 0.616 9945TIP3 H136144 -3.381 1.289 0.539 9945TIP3 H236145 -3.333 1.320 0.679 9946TIP3 OH236146 -3.108 1.116 0.711 9946TIP3 H136147 -3.192 1.151 0.676 9946TIP3 H236148 -3.051 1.195 0.706 9947TIP3 OH236149 -2.857 1.291 0.728 9947TIP3 H136150 -2.859 1.385 0.704 9947TIP3 H236151 -2.826 1.251 0.645 9948TIP3 OH236152 -4.123 1.156 0.496 9948TIP3 H136153 -4.132 1.108 0.581 9948TIP3 H236154 -4.050 1.106 0.454 9949TIP3 OH236155 -3.912 1.031 0.352 9949TIP3 H136156 -3.927 0.936 0.369 9949TIP3 H236157 -3.819 1.041 0.378 9950TIP3 OH236158 -3.625 1.072 0.431 9950TIP3 H136159 -3.612 0.979 0.405 9950TIP3 H236160 -3.625 1.064 0.527 9951TIP3 OH236161 -3.324 -0.364 0.354 9951TIP3 H136162 -3.381 -0.437 0.383 9951TIP3 H236163 -3.250 -0.412 0.313 9952TIP3 OH236164 -4.108 -0.484 0.116 9952TIP3 H136165 -4.179 -0.516 0.058 9952TIP3 H236166 -4.042 -0.555 0.106 9953TIP3 OH236167 -4.183 -0.522 -0.306 9953TIP3 H136168 -4.129 -0.456 -0.353 9953TIP3 H236169 -4.232 -0.466 -0.243 9954TIP3 OH236170 -3.624 -0.449 0.091 9954TIP3 H136171 -3.527 -0.452 0.083 9954TIP3 H236172 -3.635 -0.504 0.171 9955TIP3 OH236173 -3.051 -0.494 0.260 9955TIP3 H136174 -3.035 -0.514 0.168 9955TIP3 H236175 -3.052 -0.585 0.296 9956TIP3 OH236176 -2.908 -0.465 -0.152 9956TIP3 H136177 -2.995 -0.424 -0.164 9956TIP3 H236178 -2.932 -0.553 -0.118 9957TIP3 OH236179 -4.184 1.085 -0.210 9957TIP3 H136180 -4.254 1.063 -0.272 9957TIP3 H236181 -4.188 1.181 -0.205 9958TIP3 OH236182 -4.006 -0.336 -0.448 9958TIP3 H136183 -3.947 -0.391 -0.501 9958TIP3 H236184 -3.944 -0.304 -0.379 9959TIP3 OH236185 -3.496 -0.321 -0.195 9959TIP3 H136186 -3.470 -0.383 -0.125 9959TIP3 H236187 -3.479 -0.237 -0.149 9960TIP3 OH236188 -3.285 1.264 -0.370 9960TIP3 H136189 -3.189 1.250 -0.376 9960TIP3 H236190 -3.316 1.193 -0.428 9961TIP3 OH236191 -2.645 1.158 -0.116 9961TIP3 H136192 -2.666 1.071 -0.155 9961TIP3 H236193 -2.634 1.213 -0.195 9962TIP3 OH236194 -4.080 -0.443 1.071 9962TIP3 H136195 -4.123 -0.521 1.109 9962TIP3 H236196 -3.987 -0.459 1.094 9963TIP3 OH236197 -3.839 -0.504 1.252 9963TIP3 H136198 -3.759 -0.536 1.206 9963TIP3 H236199 -3.877 -0.587 1.286 9964TIP3 OH236200 -4.007 1.183 -0.498 9964TIP3 H136201 -4.044 1.191 -0.408 9964TIP3 H236202 -3.941 1.113 -0.486 9965TIP3 OH236203 -3.013 -0.562 1.268 9965TIP3 H136204 -3.008 -0.629 1.339 9965TIP3 H236205 -2.925 -0.574 1.225 9966TIP3 OH236206 -2.707 1.032 1.125 9966TIP3 H136207 -2.778 1.044 1.060 9966TIP3 H236208 -2.699 1.124 1.158 9967TIP3 OH236209 -1.963 0.965 1.033 9967TIP3 H136210 -1.948 0.906 0.958 9967TIP3 H236211 -2.033 0.918 1.082 9968TIP3 OH236212 -2.397 0.567 0.793 9968TIP3 H136213 -2.440 0.563 0.706 9968TIP3 H236214 -2.356 0.480 0.801 9969TIP3 OH236215 -2.413 0.869 0.491 9969TIP3 H136216 -2.322 0.846 0.471 9969TIP3 H236217 -2.402 0.941 0.555 9970TIP3 OH236218 -2.245 0.961 0.731 9970TIP3 H136219 -2.203 0.875 0.739 9970TIP3 H236220 -2.207 1.010 0.805 9971TIP3 OH236221 -2.317 1.175 1.148 9971TIP3 H136222 -2.252 1.146 1.215 9971TIP3 H236223 -2.341 1.087 1.112 9972TIP3 OH236224 -1.885 1.100 1.311 9972TIP3 H136225 -1.814 1.056 1.360 9972TIP3 H236226 -1.892 1.048 1.230 9973TIP3 OH236227 -2.330 0.522 1.250 9973TIP3 H136228 -2.274 0.451 1.213 9973TIP3 H236229 -2.374 0.553 1.171 9974TIP3 OH236230 -2.436 1.273 0.068 9974TIP3 H136231 -2.494 1.232 0.002 9974TIP3 H236232 -2.412 1.196 0.123 9975TIP3 OH236233 -2.383 1.065 0.241 9975TIP3 H136234 -2.404 0.973 0.262 9975TIP3 H236235 -2.340 1.095 0.322 9976TIP3 OH236236 -2.201 0.900 1.174 9976TIP3 H136237 -2.283 0.875 1.128 9976TIP3 H236238 -2.195 0.835 1.246 9977TIP3 OH236239 -2.166 1.259 0.780 9977TIP3 H136240 -2.216 1.333 0.743 9977TIP3 H236241 -2.177 1.273 0.874 9978TIP3 OH236242 -2.196 1.132 0.486 9978TIP3 H136243 -2.201 1.104 0.580 9978TIP3 H236244 -2.116 1.086 0.457 9979TIP3 OH236245 1.218 -0.073 0.814 9979TIP3 H136246 1.133 -0.028 0.804 9979TIP3 H236247 1.219 -0.100 0.905 9980TIP3 OH236248 1.053 0.388 1.071 9980TIP3 H136249 1.115 0.318 1.084 9980TIP3 H236250 1.102 0.467 1.093 9981TIP3 OH236251 1.283 0.107 1.082 9981TIP3 H136252 1.190 0.122 1.103 9981TIP3 H236253 1.312 0.055 1.157 9982TIP3 OH236254 -0.225 1.197 -0.545 9982TIP3 H136255 -0.273 1.210 -0.464 9982TIP3 H236256 -0.165 1.125 -0.525 9983TIP3 OH236257 2.810 0.810 0.535 9983TIP3 H136258 2.717 0.832 0.526 9983TIP3 H236259 2.849 0.887 0.490 9984TIP3 OH236260 2.935 0.643 0.865 9984TIP3 H136261 2.944 0.591 0.784 9984TIP3 H236262 2.950 0.734 0.831 9985TIP3 OH236263 1.972 0.314 0.530 9985TIP3 H136264 1.946 0.317 0.437 9985TIP3 H236265 1.914 0.377 0.572 9986TIP3 OH236266 3.214 0.932 1.054 9986TIP3 H136267 3.205 0.838 1.031 9986TIP3 H236268 3.122 0.954 1.079 9987TIP3 OH236269 1.631 0.106 0.785 9987TIP3 H136270 1.633 0.131 0.876 9987TIP3 H236271 1.596 0.016 0.782 9988TIP3 OH236272 2.027 -0.161 -0.484 9988TIP3 H136273 1.999 -0.248 -0.460 9988TIP3 H236274 1.972 -0.140 -0.561 9989TIP3 OH236275 1.616 -0.064 0.104 9989TIP3 H136276 1.532 -0.034 0.068 9989TIP3 H236277 1.641 -0.133 0.044 9990TIP3 OH236278 2.910 1.311 1.181 9990TIP3 H136279 2.927 1.360 1.099 9990TIP3 H236280 2.978 1.347 1.240 9991TIP3 OH236281 3.163 0.630 1.044 9991TIP3 H136282 3.071 0.651 1.020 9991TIP3 H236283 3.201 0.613 0.955 9992TIP3 OH236284 2.946 0.881 -0.225 9992TIP3 H136285 2.928 0.798 -0.179 9992TIP3 H236286 2.997 0.853 -0.301 9993TIP3 OH236287 2.756 1.044 0.901 9993TIP3 H136288 2.673 1.021 0.856 9993TIP3 H236289 2.773 1.133 0.865 9994TIP3 OH236290 3.153 1.129 -0.378 9994TIP3 H136291 3.216 1.190 -0.418 9994TIP3 H236292 3.069 1.174 -0.392 9995TIP3 OH236293 2.872 1.085 0.509 9995TIP3 H136294 2.848 1.160 0.451 9995TIP3 H236295 2.966 1.106 0.524 9996TIP3 OH236296 2.602 0.896 1.206 9996TIP3 H136297 2.564 0.811 1.227 9996TIP3 H236298 2.661 0.912 1.282 9997TIP3 OH236299 2.618 0.554 0.900 9997TIP3 H136300 2.708 0.588 0.892 9997TIP3 H236301 2.569 0.627 0.939 9998TIP3 OH236302 2.710 0.363 1.108 9998TIP3 H136303 2.661 0.410 1.038 9998TIP3 H236304 2.799 0.358 1.069 9999TIP3 OH236305 3.144 1.198 0.552 9999TIP3 H136306 3.158 1.197 0.647 9999TIP3 H236307 3.230 1.226 0.519 1000TIP3 OH236308 3.129 1.142 0.839 1000TIP3 H136309 3.078 1.067 0.803 1000TIP3 H236310 3.186 1.095 0.902 1000TIP3 OH236311 2.930 0.684 1.271 1000TIP3 H136312 2.842 0.696 1.309 1000TIP3 H236313 2.976 0.766 1.298 1000TIP3 OH236314 3.108 0.612 0.554 1000TIP3 H136315 3.171 0.579 0.489 1000TIP3 H236316 3.091 0.701 0.521 1000TIP3 OH236317 2.957 0.904 0.766 1000TIP3 H136318 2.884 0.950 0.813 1000TIP3 H236319 2.914 0.880 0.682 1000TIP3 OH236320 2.977 0.380 1.044 1000TIP3 H136321 3.058 0.328 1.031 1000TIP3 H236322 3.007 0.467 1.012 1000TIP3 OH236323 3.175 0.211 1.134 1000TIP3 H136324 3.086 0.179 1.148 1000TIP3 H236325 3.228 0.128 1.138 1000TIP3 OH236326 3.188 -0.516 1.293 1000TIP3 H136327 3.206 -0.594 1.237 1000TIP3 H236328 3.186 -0.447 1.225 1000TIP3 OH236329 1.322 0.090 0.474 1000TIP3 H136330 1.343 0.013 0.419 1000TIP3 H236331 1.393 0.088 0.538 1000TIP3 OH236332 3.136 -0.327 1.078 1000TIP3 H136333 3.044 -0.322 1.106 1000TIP3 H236334 3.131 -0.405 1.019 1000TIP3 OH236335 2.812 1.172 0.119 1000TIP3 H136336 2.872 1.142 0.050 1000TIP3 H236337 2.867 1.224 0.177 1001TIP3 OH236338 2.496 1.224 0.995 1001TIP3 H136339 2.562 1.156 0.976 1001TIP3 H236340 2.521 1.252 1.084 1001TIP3 OH236341 1.564 1.273 0.786 1001TIP3 H136342 1.481 1.315 0.759 1001TIP3 H236343 1.555 1.278 0.883 1001TIP3 OH236344 1.856 1.239 0.690 1001TIP3 H136345 1.763 1.223 0.716 1001TIP3 H236346 1.848 1.267 0.598 1001TIP3 OH236347 2.328 1.242 0.601 1001TIP3 H136348 2.291 1.297 0.531 1001TIP3 H236349 2.319 1.301 0.678 1001TIP3 OH236350 2.546 1.089 0.705 1001TIP3 H136351 2.462 1.120 0.666 1001TIP3 H236352 2.600 1.168 0.689 1001TIP3 OH236353 2.801 1.286 0.731 1001TIP3 H136354 2.787 1.379 0.706 1001TIP3 H236355 2.826 1.249 0.644 1001TIP3 OH236356 3.011 1.161 -0.105 1001TIP3 H136357 2.994 1.073 -0.145 1001TIP3 H236358 3.013 1.217 -0.184 1001TIP3 OH236359 2.955 1.034 1.130 1001TIP3 H136360 2.880 1.015 1.072 1001TIP3 H236361 2.941 1.129 1.148 1001TIP3 OH236362 4.212 0.315 0.456 1001TIP3 H136363 4.291 0.341 0.508 1001TIP3 H236364 4.248 0.311 0.367 1001TIP3 OH236365 3.495 0.327 0.613 1001TIP3 H136366 3.492 0.244 0.662 1001TIP3 H236367 3.578 0.366 0.640 1002TIP3 OH236368 3.579 0.763 0.467 1002TIP3 H136369 3.554 0.675 0.433 1002TIP3 H236370 3.673 0.748 0.485 1002TIP3 OH236371 4.120 0.600 0.520 1002TIP3 H136372 4.145 0.527 0.461 1002TIP3 H236373 4.205 0.621 0.560 1002TIP3 OH236374 3.740 -0.175 0.273 1002TIP3 H136375 3.761 -0.090 0.230 1002TIP3 H236376 3.708 -0.226 0.196 1002TIP3 OH236377 3.385 0.126 0.324 1002TIP3 H136378 3.408 0.071 0.399 1002TIP3 H236379 3.379 0.064 0.251 1002TIP3 OH236380 3.944 0.241 0.268 1002TIP3 H136381 4.023 0.195 0.303 1002TIP3 H236382 3.903 0.168 0.218 1002TIP3 OH236383 3.625 -0.280 0.681 1002TIP3 H136384 3.582 -0.235 0.605 1002TIP3 H236385 3.559 -0.266 0.750 1002TIP3 OH236386 3.917 0.495 0.699 1002TIP3 H136387 3.844 0.556 0.722 1002TIP3 H236388 3.981 0.555 0.657 1002TIP3 OH236389 3.560 -0.094 0.481 1002TIP3 H136390 3.623 -0.029 0.515 1002TIP3 H236391 3.609 -0.128 0.403 1002TIP3 OH236392 3.717 0.689 0.769 1002TIP3 H136393 3.712 0.780 0.735 1002TIP3 H236394 3.629 0.681 0.810 1002TIP3 OH236395 4.036 -0.539 0.398 1002TIP3 H136396 4.012 -0.634 0.397 1002TIP3 H236397 3.953 -0.500 0.432 1003TIP3 OH236398 4.265 0.340 -0.143 1003TIP3 H136399 4.200 0.412 -0.159 1003TIP3 H236400 4.341 0.373 -0.192 1003TIP3 OH236401 4.290 0.192 -0.425 1003TIP3 H136402 4.367 0.195 -0.366 1003TIP3 H236403 4.303 0.112 -0.476 1003TIP3 OH236404 3.782 0.449 0.154 1003TIP3 H136405 3.744 0.409 0.075 1003TIP3 H236406 3.840 0.379 0.189 1003TIP3 OH236407 3.896 0.769 0.432 1003TIP3 H136408 3.888 0.734 0.342 1003TIP3 H236409 3.977 0.725 0.464 1003TIP3 OH236410 3.803 0.317 0.506 1003TIP3 H136411 3.864 0.312 0.430 1003TIP3 H236412 3.850 0.379 0.566 1003TIP3 OH236413 3.904 0.751 0.987 1003TIP3 H136414 3.849 0.816 1.034 1003TIP3 H236415 3.842 0.721 0.918 1003TIP3 OH236416 3.601 0.384 0.899 1003TIP3 H136417 3.596 0.438 0.979 1003TIP3 H236418 3.507 0.374 0.876 1003TIP3 OH236419 4.240 0.957 0.082 1003TIP3 H136420 4.299 1.006 0.141 1003TIP3 H236421 4.198 1.028 0.032 1003TIP3 OH236422 3.711 0.968 1.070 1003TIP3 H136423 3.702 0.970 0.973 1003TIP3 H236424 3.623 0.937 1.100 1003TIP3 OH236425 3.261 0.579 0.788 1003TIP3 H136426 3.211 0.583 0.704 1003TIP3 H236427 3.279 0.482 0.794 1004TIP3 OH236428 3.257 0.865 0.473 1004TIP3 H136429 3.349 0.835 0.475 1004TIP3 H236430 3.254 0.926 0.548 1004TIP3 OH236431 4.175 0.849 0.942 1004TIP3 H136432 4.178 0.940 0.974 1004TIP3 H236433 4.082 0.822 0.958 1004TIP3 OH236434 4.172 1.241 -0.075 1004TIP3 H136435 4.206 1.232 -0.165 1004TIP3 H236436 4.214 1.321 -0.041 1004TIP3 OH236437 3.562 1.143 0.092 1004TIP3 H136438 3.581 1.094 0.175 1004TIP3 H236439 3.487 1.090 0.059 1004TIP3 OH236440 3.471 0.735 0.911 1004TIP3 H136441 3.504 0.683 0.987 1004TIP3 H236442 3.403 0.677 0.872 1004TIP3 OH236443 3.774 -0.438 0.474 1004TIP3 H136444 3.684 -0.445 0.436 1004TIP3 H236445 3.764 -0.356 0.524 1004TIP3 OH236446 4.231 -0.486 0.910 1004TIP3 H136447 4.246 -0.560 0.970 1004TIP3 H236448 4.141 -0.506 0.877 1004TIP3 OH236449 4.233 -0.208 -0.417 1004TIP3 H136450 4.168 -0.226 -0.347 1004TIP3 H236451 4.204 -0.271 -0.484 1004TIP3 OH236452 3.769 0.051 0.620 1004TIP3 H136453 3.704 0.061 0.692 1004TIP3 H236454 3.774 0.141 0.583 1004TIP3 OH236455 3.784 0.044 0.101 1004TIP3 H136456 3.689 0.034 0.086 1004TIP3 H236457 3.819 0.021 0.012 1005TIP3 OH236458 4.280 0.097 0.025 1005TIP3 H136459 4.264 0.192 0.012 1005TIP3 H236460 4.319 0.073 -0.059 1005TIP3 OH236461 4.252 0.146 1.147 1005TIP3 H136462 4.194 0.068 1.158 1005TIP3 H236463 4.338 0.100 1.148 1005TIP3 OH236464 3.518 0.075 0.800 1005TIP3 H136465 3.547 0.105 0.887 1005TIP3 H236466 3.486 -0.015 0.818 1005TIP3 OH236467 3.860 -0.162 -0.532 1005TIP3 H136468 3.817 -0.206 -0.456 1005TIP3 H236469 3.786 -0.151 -0.594 1005TIP3 OH236470 3.368 -0.112 -0.237 1005TIP3 H136471 3.395 -0.091 -0.327 1005TIP3 H236472 3.274 -0.096 -0.240 1005TIP3 OH236473 4.352 0.197 0.752 1005TIP3 H136474 4.379 0.135 0.681 1005TIP3 H236475 4.271 0.153 0.783 1005TIP3 OH236476 4.046 -0.201 0.216 1005TIP3 H136477 3.953 -0.191 0.242 1005TIP3 H236478 4.090 -0.174 0.298 1005TIP3 OH236479 3.489 -0.047 0.073 1005TIP3 H136480 3.415 -0.034 0.012 1005TIP3 H236481 3.524 -0.133 0.042 1005TIP3 OH236482 3.871 -0.020 -0.156 1005TIP3 H136483 3.968 -0.015 -0.150 1005TIP3 H236484 3.849 0.037 -0.231 1005TIP3 OH236485 3.715 0.105 -0.374 1005TIP3 H136486 3.657 0.077 -0.447 1005TIP3 H236487 3.797 0.121 -0.423 1006TIP3 OH236488 3.582 0.580 1.125 1006TIP3 H136489 3.651 0.586 1.194 1006TIP3 H236490 3.502 0.576 1.181 1006TIP3 OH236491 4.138 0.036 0.354 1006TIP3 H136492 4.219 0.009 0.309 1006TIP3 H236493 4.164 0.031 0.447 1006TIP3 OH236494 3.666 -0.288 0.028 1006TIP3 H136495 3.612 -0.369 0.029 1006TIP3 H236496 3.741 -0.314 -0.027 1006TIP3 OH236497 4.047 -0.089 0.626 1006TIP3 H136498 3.977 -0.024 0.610 1006TIP3 H236499 4.098 -0.046 0.698 1006TIP3 OH236500 4.072 0.544 -0.188 1006TIP3 H136501 3.989 0.501 -0.219 1006TIP3 H236502 4.054 0.561 -0.093 1006TIP3 OH236503 4.203 0.547 0.939 1006TIP3 H136504 4.185 0.538 1.032 1006TIP3 H236505 4.214 0.643 0.926 1006TIP3 OH236506 3.565 0.499 0.366 1006TIP3 H136507 3.645 0.481 0.314 1006TIP3 H236508 3.552 0.417 0.416 1006TIP3 OH236509 4.295 0.687 -0.300 1006TIP3 H136510 4.298 0.765 -0.243 1006TIP3 H236511 4.228 0.634 -0.255 1006TIP3 OH236512 3.289 0.324 0.890 1006TIP3 H136513 3.307 0.286 0.978 1006TIP3 H236514 3.241 0.252 0.846 1006TIP3 OH236515 4.001 0.278 1.120 1006TIP3 H136516 3.966 0.249 1.034 1006TIP3 H236517 4.095 0.253 1.110 1007TIP3 OH236518 3.811 0.831 0.123 1007TIP3 H136519 3.856 0.915 0.106 1007TIP3 H236520 3.722 0.849 0.091 1007TIP3 OH236521 4.013 0.609 0.077 1007TIP3 H136522 3.986 0.701 0.093 1007TIP3 H236523 3.943 0.560 0.122 1007TIP3 OH236524 4.019 1.029 0.722 1007TIP3 H136525 4.077 1.099 0.686 1007TIP3 H236526 4.085 0.974 0.767 1007TIP3 OH236527 3.858 1.118 0.041 1007TIP3 H136528 3.762 1.134 0.048 1007TIP3 H236529 3.895 1.206 0.063 1007TIP3 OH236530 3.426 -0.203 0.881 1007TIP3 H136531 3.335 -0.187 0.851 1007TIP3 H236532 3.419 -0.289 0.926 1007TIP3 OH236533 3.411 0.969 0.721 1007TIP3 H136534 3.441 0.878 0.734 1007TIP3 H236535 3.437 1.008 0.806 1007TIP3 OH236536 3.990 0.836 -0.581 1007TIP3 H136537 4.029 0.759 -0.625 1007TIP3 H236538 3.957 0.796 -0.498 1007TIP3 OH236539 3.883 0.781 -0.308 1007TIP3 H136540 3.933 0.730 -0.243 1007TIP3 H236541 3.895 0.873 -0.277 1007TIP3 OH236542 4.337 -0.177 0.789 1007TIP3 H136543 4.377 -0.256 0.827 1007TIP3 H236544 4.278 -0.215 0.722 1007TIP3 OH236545 4.168 0.955 -0.243 1007TIP3 H136546 4.085 1.003 -0.232 1007TIP3 H236547 4.210 1.001 -0.316 1008TIP3 OH236548 4.120 -0.105 -0.045 1008TIP3 H136549 4.184 -0.036 -0.018 1008TIP3 H236550 4.086 -0.127 0.045 1008TIP3 OH236551 4.160 0.004 0.879 1008TIP3 H136552 4.188 0.061 0.952 1008TIP3 H236553 4.234 -0.059 0.870 1008TIP3 OH236554 4.192 -0.385 0.072 1008TIP3 H136555 4.165 -0.308 0.127 1008TIP3 H236556 4.273 -0.352 0.030 1008TIP3 OH236557 3.893 1.055 -0.245 1008TIP3 H136558 3.890 1.138 -0.297 1008TIP3 H236559 3.882 1.087 -0.154 1008TIP3 OH236560 3.767 -0.279 -0.294 1008TIP3 H136561 3.770 -0.198 -0.241 1008TIP3 H236562 3.850 -0.324 -0.269 1008TIP3 OH236563 3.600 0.819 -0.398 1008TIP3 H136564 3.672 0.851 -0.343 1008TIP3 H236565 3.636 0.734 -0.426 1008TIP3 OH236566 3.491 -0.490 0.420 1008TIP3 H136567 3.465 -0.468 0.330 1008TIP3 H236568 3.450 -0.576 0.433 1008TIP3 OH236569 3.417 0.883 0.033 1008TIP3 H136570 3.322 0.895 0.033 1008TIP3 H236571 3.441 0.910 -0.057 1008TIP3 OH236572 3.346 1.173 1.142 1008TIP3 H136573 3.403 1.145 1.216 1008TIP3 H236574 3.307 1.089 1.113 1008TIP3 OH236575 3.814 1.077 1.324 1008TIP3 H136576 3.883 1.011 1.340 1008TIP3 H236577 3.789 1.055 1.232 1009TIP3 OH236578 4.230 1.005 -0.547 1009TIP3 H136579 4.149 0.949 -0.545 1009TIP3 H236580 4.296 0.934 -0.558 1009TIP3 OH236581 3.335 0.535 1.255 1009TIP3 H136582 3.351 0.448 1.214 1009TIP3 H236583 3.263 0.568 1.199 1009TIP3 OH236584 3.748 0.565 -0.564 1009TIP3 H136585 3.765 0.517 -0.481 1009TIP3 H236586 3.839 0.572 -0.598 1009TIP3 OH236587 4.005 0.557 1.188 1009TIP3 H136588 3.980 0.589 1.100 1009TIP3 H236589 4.014 0.460 1.173 1009TIP3 OH236590 4.262 0.715 -0.581 1009TIP3 H136591 4.280 0.721 -0.484 1009TIP3 H236592 4.250 0.619 -0.590 1009TIP3 OH236593 3.453 0.268 1.157 1009TIP3 H136594 3.519 0.198 1.160 1009TIP3 H236595 3.431 0.277 1.251 1009TIP3 OH236596 3.855 0.388 -0.301 1009TIP3 H136597 3.798 0.328 -0.252 1009TIP3 H236598 3.892 0.327 -0.368 1009TIP3 OH236599 3.798 0.166 0.916 1009TIP3 H136600 3.741 0.243 0.929 1009TIP3 H236601 3.853 0.196 0.842 1009TIP3 OH236602 3.977 0.191 -0.477 1009TIP3 H136603 3.968 0.193 -0.573 1009TIP3 H236604 4.073 0.201 -0.467 1009TIP3 OH236605 4.285 0.412 1.289 1009TIP3 H136606 4.349 0.381 1.224 1009TIP3 H236607 4.267 0.329 1.336 1010TIP3 OH236608 3.855 -0.105 1.031 1010TIP3 H136609 3.862 -0.172 0.960 1010TIP3 H236610 3.841 -0.025 0.979 1010TIP3 OH236611 3.886 -0.262 0.774 1010TIP3 H136612 3.937 -0.205 0.712 1010TIP3 H236613 3.796 -0.259 0.736 1010TIP3 OH236614 4.067 0.278 0.806 1010TIP3 H136615 4.136 0.278 0.738 1010TIP3 H236616 4.029 0.366 0.792 1010TIP3 OH236617 3.681 0.073 1.212 1010TIP3 H136618 3.625 -0.006 1.207 1010TIP3 H236619 3.759 0.045 1.161 1010TIP3 OH236620 3.969 -0.525 0.811 1010TIP3 H136621 3.947 -0.431 0.792 1010TIP3 H236622 3.902 -0.571 0.756 1010TIP3 OH236623 4.102 -0.079 1.186 1010TIP3 H136624 4.062 -0.104 1.270 1010TIP3 H236625 4.030 -0.100 1.123 1010TIP3 OH236626 3.542 -0.180 1.191 1010TIP3 H136627 3.535 -0.253 1.127 1010TIP3 H236628 3.520 -0.226 1.274 1010TIP3 OH236629 3.945 -0.578 1.093 1010TIP3 H136630 4.007 -0.652 1.095 1010TIP3 H236631 3.940 -0.562 0.996 1010TIP3 OH236632 4.034 -0.399 1.288 1010TIP3 H136633 4.010 -0.453 1.211 1010TIP3 H236634 3.972 -0.324 1.281 1010TIP3 OH236635 3.954 1.312 -0.373 1010TIP3 H136636 4.050 1.314 -0.363 1010TIP3 H236637 3.945 1.358 -0.458 1011TIP3 OH236638 3.316 0.756 -0.500 1011TIP3 H136639 3.379 0.789 -0.433 1011TIP3 H236640 3.306 0.665 -0.472 1011TIP3 OH236641 3.229 1.278 0.050 1011TIP3 H136642 3.157 1.237 -0.001 1011TIP3 H236643 3.248 1.207 0.114 1011TIP3 OH236644 3.273 1.075 0.248 1011TIP3 H136645 3.247 0.984 0.270 1011TIP3 H236646 3.308 1.104 0.333 1011TIP3 OH236647 3.281 -0.054 1.138 1011TIP3 H136648 3.375 -0.080 1.135 1011TIP3 H236649 3.239 -0.138 1.112 1011TIP3 OH236650 3.456 0.873 1.208 1011TIP3 H136651 3.387 0.871 1.140 1011TIP3 H236652 3.404 0.876 1.289 1011TIP3 OH236653 3.740 0.976 0.774 1011TIP3 H136654 3.710 1.060 0.735 1011TIP3 H236655 3.836 0.982 0.755 1011TIP3 OH236656 4.218 1.138 1.062 1011TIP3 H136657 4.205 1.099 1.149 1011TIP3 H236658 4.314 1.158 1.066 1011TIP3 OH236659 3.478 1.270 0.806 1011TIP3 H136660 3.418 1.331 0.760 1011TIP3 H236661 3.441 1.272 0.895 1011TIP3 OH236662 3.729 1.247 0.664 1011TIP3 H136663 3.643 1.266 0.706 1011TIP3 H236664 3.732 1.315 0.594 1011TIP3 OH236665 4.195 1.224 0.619 1011TIP3 H136666 4.179 1.269 0.535 1011TIP3 H236667 4.258 1.282 0.663 1012TIP3 OH236668 3.436 1.149 0.501 1012TIP3 H136669 3.434 1.098 0.585 1012TIP3 H236670 3.510 1.104 0.454 1012TIP3 OH236671 3.635 1.023 0.348 1012TIP3 H136672 3.622 0.928 0.367 1012TIP3 H236673 3.728 1.037 0.375 1012TIP3 OH236674 3.911 1.073 0.432 1012TIP3 H136675 3.936 0.982 0.406 1012TIP3 H236676 3.921 1.067 0.528 1012TIP3 OH236677 4.264 -0.379 0.373 1012TIP3 H136678 4.178 -0.424 0.376 1012TIP3 H236679 4.298 -0.407 0.287 1012TIP3 OH236680 3.479 -0.515 0.093 1012TIP3 H136681 3.387 -0.531 0.067 1012TIP3 H236682 3.504 -0.598 0.134 1012TIP3 OH236683 3.367 -0.517 -0.281 1012TIP3 H136684 3.408 -0.453 -0.343 1012TIP3 H236685 3.294 -0.465 -0.246 1012TIP3 OH236686 3.931 -0.495 0.108 1012TIP3 H136687 4.022 -0.461 0.097 1012TIP3 H236688 3.927 -0.498 0.204 1012TIP3 OH236689 3.376 1.077 -0.188 1012TIP3 H136690 3.305 1.058 -0.251 1012TIP3 H236691 3.369 1.173 -0.181 1012TIP3 OH236692 3.526 -0.345 -0.440 1012TIP3 H136693 3.585 -0.383 -0.506 1012TIP3 H236694 3.590 -0.308 -0.376 1012TIP3 OH236695 4.062 -0.323 -0.196 1012TIP3 H136696 4.065 -0.385 -0.122 1012TIP3 H236697 4.063 -0.237 -0.149 1013TIP3 OH236698 4.263 1.240 -0.370 1013TIP3 H136699 4.352 1.276 -0.386 1013TIP3 H236700 4.250 1.180 -0.445 1013TIP3 OH236701 3.460 -0.440 1.077 1013TIP3 H136702 3.418 -0.525 1.102 1013TIP3 H236703 3.553 -0.462 1.091 1013TIP3 OH236704 3.702 -0.506 1.249 1013TIP3 H136705 3.784 -0.540 1.206 1013TIP3 H236706 3.663 -0.589 1.282 1013TIP3 OH236707 3.527 1.175 -0.499 1013TIP3 H136708 3.496 1.189 -0.408 1013TIP3 H236709 3.601 1.113 -0.484 1013TIP3 OH236710 -3.164 2.284 0.140 1013TIP3 H136711 -3.159 2.379 0.161 1013TIP3 H236712 -3.239 2.284 0.078 1013TIP3 OH236713 -3.273 2.233 0.450 1013TIP3 H136714 -3.275 2.181 0.532 1013TIP3 H236715 -3.305 2.169 0.385 1013TIP3 OH236716 -4.027 2.193 0.614 1013TIP3 H136717 -4.033 2.119 0.678 1013TIP3 H236718 -3.960 2.249 0.657 1013TIP3 OH236719 -2.909 2.507 0.283 1013TIP3 H136720 -2.944 2.437 0.340 1013TIP3 H236721 -2.878 2.571 0.350 1013TIP3 OH236722 -3.959 2.655 0.467 1013TIP3 H136723 -3.988 2.566 0.440 1013TIP3 H236724 -3.865 2.639 0.485 1013TIP3 OH236725 -4.214 2.025 -0.111 1013TIP3 H136726 -4.252 2.107 -0.077 1013TIP3 H236727 -4.292 1.967 -0.114 1014TIP3 OH236728 -4.207 2.230 0.172 1014TIP3 H136729 -4.186 2.168 0.244 1014TIP3 H236730 -4.122 2.272 0.155 1014TIP3 OH236731 -3.201 3.044 0.339 1014TIP3 H136732 -3.142 2.973 0.308 1014TIP3 H236733 -3.229 3.010 0.425 1014TIP3 OH236734 -3.426 2.485 0.507 1014TIP3 H136735 -3.392 2.413 0.450 1014TIP3 H236736 -3.345 2.501 0.560 1014TIP3 OH236737 -2.551 1.639 0.564 1014TIP3 H136738 -2.529 1.695 0.641 1014TIP3 H236739 -2.487 1.672 0.499 1014TIP3 OH236740 -3.096 1.919 0.556 1014TIP3 H136741 -3.081 1.824 0.565 1014TIP3 H236742 -3.106 1.928 0.460 1014TIP3 OH236743 -3.797 1.720 0.266 1014TIP3 H136744 -3.786 1.805 0.220 1014TIP3 H236745 -3.834 1.666 0.193 1014TIP3 OH236746 -3.032 1.730 0.063 1014TIP3 H136747 -2.993 1.676 0.134 1014TIP3 H236748 -2.951 1.776 0.032 1014TIP3 OH236749 -4.138 1.994 0.319 1014TIP3 H136750 -4.080 1.952 0.385 1014TIP3 H236751 -4.120 1.939 0.241 1014TIP3 OH236752 -3.590 2.130 0.261 1014TIP3 H136753 -3.522 2.074 0.303 1014TIP3 H236754 -3.644 2.064 0.215 1014TIP3 OH236755 -2.487 1.770 0.814 1014TIP3 H136756 -2.545 1.845 0.791 1014TIP3 H236757 -2.493 1.772 0.911 1015TIP3 OH236758 -3.917 1.603 0.683 1015TIP3 H136759 -3.964 1.644 0.610 1015TIP3 H236760 -3.981 1.617 0.756 1015TIP3 OH236761 -3.171 2.574 0.022 1015TIP3 H136762 -3.201 2.554 -0.067 1015TIP3 H236763 -3.215 2.659 0.041 1015TIP3 OH236764 -3.626 2.387 0.694 1015TIP3 H136765 -3.699 2.447 0.721 1015TIP3 H236766 -3.564 2.448 0.651 1015TIP3 OH236767 -2.844 1.669 0.295 1015TIP3 H136768 -2.872 1.601 0.357 1015TIP3 H236769 -2.783 1.721 0.350 1015TIP3 OH236770 -3.958 1.807 0.473 1015TIP3 H136771 -3.893 1.863 0.521 1015TIP3 H236772 -3.899 1.768 0.405 1015TIP3 OH236773 -3.827 2.573 0.769 1015TIP3 H136774 -3.830 2.665 0.735 1015TIP3 H236775 -3.916 2.567 0.809 1015TIP3 OH236776 -4.182 2.537 -0.142 1015TIP3 H136777 -4.264 2.555 -0.193 1015TIP3 H236778 -4.191 2.599 -0.067 1015TIP3 OH236779 -2.851 2.689 0.532 1015TIP3 H136780 -2.948 2.701 0.534 1015TIP3 H236781 -2.822 2.774 0.496 1015TIP3 OH236782 -2.815 1.579 0.683 1015TIP3 H136783 -2.892 1.617 0.639 1015TIP3 H236784 -2.744 1.595 0.618 1015TIP3 OH236785 -3.504 1.347 0.392 1015TIP3 H136786 -3.528 1.253 0.387 1015TIP3 H236787 -3.587 1.386 0.428 1016TIP3 OH236788 -3.019 2.882 0.191 1016TIP3 H136789 -2.971 2.804 0.158 1016TIP3 H236790 -2.953 2.953 0.178 1016TIP3 OH236791 -2.875 2.669 0.051 1016TIP3 H136792 -2.927 2.624 -0.017 1016TIP3 H236793 -2.881 2.606 0.125 1016TIP3 OH236794 -2.724 2.553 0.900 1016TIP3 H136795 -2.731 2.487 0.829 1016TIP3 H236796 -2.707 2.635 0.851 1016TIP3 OH236797 -3.283 2.241 -0.134 1016TIP3 H136798 -3.353 2.303 -0.164 1016TIP3 H236799 -3.219 2.248 -0.206 1016TIP3 OH236800 -3.264 2.063 -0.419 1016TIP3 H136801 -3.188 2.086 -0.363 1016TIP3 H236802 -3.222 2.005 -0.484 1016TIP3 OH236803 -2.547 2.168 0.694 1016TIP3 H136804 -2.616 2.235 0.703 1016TIP3 H236805 -2.495 2.202 0.619 1016TIP3 OH236806 -2.944 2.238 -0.022 1016TIP3 H136807 -3.010 2.265 0.046 1016TIP3 H236808 -2.882 2.185 0.032 1016TIP3 OH236809 -2.961 2.096 0.862 1016TIP3 H136810 -2.954 2.178 0.913 1016TIP3 H236811 -3.025 2.125 0.795 1016TIP3 OH236812 -3.782 2.321 0.154 1016TIP3 H136813 -3.816 2.278 0.074 1016TIP3 H236814 -3.718 2.254 0.187 1016TIP3 OH236815 -3.648 2.659 0.430 1016TIP3 H136816 -3.659 2.623 0.341 1016TIP3 H236817 -3.568 2.613 0.461 1017TIP3 OH236818 -3.726 2.203 0.502 1017TIP3 H136819 -3.667 2.207 0.425 1017TIP3 H236820 -3.688 2.268 0.563 1017TIP3 OH236821 -3.131 2.752 0.562 1017TIP3 H136822 -3.129 2.819 0.633 1017TIP3 H236823 -3.153 2.670 0.610 1017TIP3 OH236824 -3.642 2.633 0.988 1017TIP3 H136825 -3.695 2.699 1.036 1017TIP3 H236826 -3.706 2.605 0.919 1017TIP3 OH236827 -3.036 2.137 -0.261 1017TIP3 H136828 -2.988 2.178 -0.186 1017TIP3 H236829 -2.991 2.184 -0.336 1017TIP3 OH236830 -3.956 2.267 0.903 1017TIP3 H136831 -3.948 2.327 0.979 1017TIP3 H236832 -4.053 2.263 0.893 1017TIP3 OH236833 -3.303 2.846 0.080 1017TIP3 H136834 -3.257 2.877 0.159 1017TIP3 H236835 -3.352 2.925 0.052 1017TIP3 OH236836 -3.835 2.848 1.072 1017TIP3 H136837 -3.842 2.853 0.975 1017TIP3 H236838 -3.927 2.830 1.099 1017TIP3 OH236839 -2.689 1.344 -0.344 1017TIP3 H136840 -2.772 1.348 -0.296 1017TIP3 H236841 -2.651 1.433 -0.331 1017TIP3 OH236842 -3.892 2.193 -0.093 1017TIP3 H136843 -3.917 2.270 -0.146 1017TIP3 H236844 -3.961 2.129 -0.117 1017TIP3 OH236845 -2.564 2.773 -0.474 1017TIP3 H136846 -2.551 2.867 -0.450 1017TIP3 H236847 -2.477 2.735 -0.453 1018TIP3 OH236848 -4.266 2.476 0.761 1018TIP3 H136849 -4.288 2.443 0.673 1018TIP3 H236850 -4.307 2.407 0.817 1018TIP3 OH236851 -4.282 2.754 0.459 1018TIP3 H136852 -4.196 2.714 0.478 1018TIP3 H236853 -4.300 2.805 0.539 1018TIP3 OH236854 -2.441 2.813 1.053 1018TIP3 H136855 -2.451 2.717 1.035 1018TIP3 H236856 -2.533 2.836 1.079 1018TIP3 OH236857 -3.378 2.737 0.932 1018TIP3 H136858 -3.371 2.820 0.983 1018TIP3 H236859 -3.469 2.707 0.954 1018TIP3 OH236860 -3.347 3.119 -0.071 1018TIP3 H136861 -3.349 3.129 -0.168 1018TIP3 H236862 -3.344 3.211 -0.040 1018TIP3 OH236863 -3.976 3.031 0.092 1018TIP3 H136864 -3.954 2.990 0.178 1018TIP3 H236865 -4.055 2.980 0.069 1018TIP3 OH236866 -3.019 3.061 -0.353 1018TIP3 H136867 -2.961 2.995 -0.397 1018TIP3 H236868 -3.025 3.024 -0.263 1018TIP3 OH236869 -3.080 3.003 -0.073 1018TIP3 H136870 -3.175 3.018 -0.059 1018TIP3 H236871 -3.064 2.933 -0.008 1018TIP3 OH236872 -2.765 1.951 1.093 1018TIP3 H136873 -2.814 1.990 1.019 1018TIP3 H236874 -2.759 1.857 1.065 1018TIP3 OH236875 -4.071 2.616 0.909 1018TIP3 H136876 -4.042 2.559 0.982 1018TIP3 H236877 -4.147 2.567 0.870 1019TIP3 OH236878 -3.748 1.465 0.481 1019TIP3 H136879 -3.830 1.454 0.431 1019TIP3 H236880 -3.774 1.535 0.543 1019TIP3 OH236881 -3.311 1.421 0.847 1019TIP3 H136882 -3.258 1.368 0.910 1019TIP3 H236883 -3.401 1.387 0.860 1019TIP3 OH236884 -2.996 1.800 0.896 1019TIP3 H136885 -3.054 1.784 0.973 1019TIP3 H236886 -3.001 1.896 0.885 1019TIP3 OH236887 -2.905 2.278 -0.466 1019TIP3 H136888 -2.921 2.270 -0.562 1019TIP3 H236889 -2.816 2.317 -0.466 1019TIP3 OH236890 -3.289 1.662 -0.403 1019TIP3 H136891 -3.366 1.656 -0.343 1019TIP3 H236892 -3.327 1.614 -0.479 1019TIP3 OH236893 -3.760 1.942 0.623 1019TIP3 H136894 -3.820 1.952 0.699 1019TIP3 H236895 -3.756 2.034 0.587 1019TIP3 OH236896 -3.770 1.949 0.110 1019TIP3 H136897 -3.866 1.943 0.095 1019TIP3 H236898 -3.737 1.930 0.020 1019TIP3 OH236899 -3.172 1.992 -0.063 1019TIP3 H136900 -3.230 2.071 -0.050 1019TIP3 H236901 -3.105 2.038 -0.116 1019TIP3 OH236902 -3.288 2.027 1.126 1019TIP3 H136903 -3.338 1.950 1.160 1019TIP3 H236904 -3.200 2.012 1.165 1019TIP3 OH236905 -3.120 1.936 0.261 1019TIP3 H136906 -3.140 2.001 0.192 1019TIP3 H236907 -3.101 1.857 0.208 1020TIP3 OH236908 -4.024 1.958 0.806 1020TIP3 H136909 -3.998 1.995 0.892 1020TIP3 H236910 -4.052 1.869 0.830 1020TIP3 OH236911 -3.684 1.720 -0.530 1020TIP3 H136912 -3.726 1.678 -0.453 1020TIP3 H236913 -3.759 1.735 -0.589 1020TIP3 OH236914 -4.317 1.722 0.174 1020TIP3 H136915 -4.307 1.690 0.265 1020TIP3 H236916 -4.284 1.647 0.123 1020TIP3 OH236917 -4.208 1.758 -0.247 1020TIP3 H136918 -4.148 1.787 -0.319 1020TIP3 H236919 -4.291 1.796 -0.276 1020TIP3 OH236920 -3.212 2.113 0.711 1020TIP3 H136921 -3.167 2.041 0.662 1020TIP3 H236922 -3.244 2.066 0.789 1020TIP3 OH236923 -3.490 1.712 0.209 1020TIP3 H136924 -3.584 1.703 0.232 1020TIP3 H236925 -3.448 1.687 0.293 1020TIP3 OH236926 -4.038 1.836 0.076 1020TIP3 H136927 -4.115 1.849 0.019 1020TIP3 H236928 -4.004 1.751 0.043 1020TIP3 OH236929 -3.665 1.861 -0.153 1020TIP3 H136930 -3.572 1.886 -0.151 1020TIP3 H236931 -3.703 1.920 -0.222 1020TIP3 OH236932 -3.054 1.622 0.516 1020TIP3 H136933 -3.117 1.622 0.592 1020TIP3 H236934 -3.112 1.588 0.446 1020TIP3 OH236935 -3.821 1.988 -0.370 1020TIP3 H136936 -3.885 1.960 -0.437 1020TIP3 H236937 -3.743 2.007 -0.425 1021TIP3 OH236938 -2.753 3.203 1.182 1021TIP3 H136939 -2.729 3.245 1.097 1021TIP3 H236940 -2.681 3.232 1.240 1021TIP3 OH236941 -3.951 2.462 1.125 1021TIP3 H136942 -3.890 2.466 1.201 1021TIP3 H236943 -4.037 2.471 1.172 1021TIP3 OH236944 -3.386 1.962 0.394 1021TIP3 H136945 -3.313 1.914 0.353 1021TIP3 H236946 -3.406 1.904 0.471 1021TIP3 OH236947 -3.873 1.599 0.023 1021TIP3 H136948 -3.923 1.516 0.027 1021TIP3 H236949 -3.795 1.571 -0.027 1021TIP3 OH236950 -3.489 1.812 0.617 1021TIP3 H136951 -3.569 1.866 0.623 1021TIP3 H236952 -3.442 1.834 0.701 1021TIP3 OH236953 -3.471 2.440 -0.187 1021TIP3 H136954 -3.550 2.394 -0.224 1021TIP3 H236955 -3.496 2.449 -0.092 1021TIP3 OH236956 -2.756 2.364 0.685 1021TIP3 H136957 -2.704 2.417 0.620 1021TIP3 H236958 -2.840 2.353 0.638 1021TIP3 OH236959 -3.313 2.449 0.943 1021TIP3 H136960 -3.344 2.416 1.028 1021TIP3 H236961 -3.344 2.541 0.943 1021TIP3 OH236962 -3.977 2.378 0.381 1021TIP3 H136963 -3.909 2.371 0.312 1021TIP3 H236964 -3.962 2.297 0.433 1021TIP3 OH236965 -3.238 2.583 -0.296 1021TIP3 H136966 -3.264 2.670 -0.259 1021TIP3 H236967 -3.314 2.528 -0.268 1022TIP3 OH236968 -4.238 2.231 0.947 1022TIP3 H136969 -4.231 2.167 1.019 1022TIP3 H236970 -4.287 2.181 0.878 1022TIP3 OH236971 -3.540 2.166 1.118 1022TIP3 H136972 -3.577 2.138 1.032 1022TIP3 H236973 -3.447 2.136 1.108 1022TIP3 OH236974 -3.088 2.707 0.889 1022TIP3 H136975 -3.184 2.715 0.884 1022TIP3 H236976 -3.070 2.732 0.981 1022TIP3 OH236977 -2.532 1.914 -0.230 1022TIP3 H136978 -2.589 1.892 -0.306 1022TIP3 H236979 -2.522 2.010 -0.245 1022TIP3 OH236980 -2.489 2.518 1.048 1022TIP3 H136981 -2.582 2.538 1.027 1022TIP3 H236982 -2.453 2.499 0.959 1022TIP3 OH236983 -2.719 2.771 -0.227 1022TIP3 H136984 -2.736 2.696 -0.168 1022TIP3 H236985 -2.657 2.735 -0.292 1022TIP3 OH236986 -2.988 2.306 0.513 1022TIP3 H136987 -3.082 2.289 0.491 1022TIP3 H236988 -2.944 2.234 0.465 1022TIP3 OH236989 -3.727 2.715 0.120 1022TIP3 H136990 -3.686 2.803 0.107 1022TIP3 H236991 -3.819 2.733 0.097 1022TIP3 OH236992 -4.153 2.211 -0.410 1022TIP3 H136993 -4.082 2.267 -0.373 1022TIP3 H236994 -4.229 2.268 -0.396 1022TIP3 OH236995 -3.544 2.483 0.079 1022TIP3 H136996 -3.572 2.575 0.095 1022TIP3 H236997 -3.615 2.434 0.121 1023TIP3 OH236998 -3.526 2.910 0.717 1023TIP3 H136999 -3.471 2.984 0.687 1023TIP3 H237000 -3.464 2.861 0.772 1023TIP3 OH237001 -3.681 3.004 0.041 1023TIP3 H137002 -3.777 3.019 0.048 1023TIP3 H237003 -3.647 3.093 0.064 1023TIP3 OH237004 -3.186 2.484 0.673 1023TIP3 H137005 -3.214 2.457 0.762 1023TIP3 H237006 -3.111 2.424 0.656 1023TIP3 OH237007 -2.968 2.613 -0.436 1023TIP3 H137008 -2.927 2.572 -0.358 1023TIP3 H237009 -3.061 2.601 -0.412 1023TIP3 OH237010 -2.893 2.943 0.914 1023TIP3 H137011 -2.967 2.897 0.871 1023TIP3 H237012 -2.881 3.021 0.857 1023TIP3 OH237013 -2.496 3.041 -0.382 1023TIP3 H137014 -2.425 3.105 -0.403 1023TIP3 H237015 -2.572 3.101 -0.381 1023TIP3 OH237016 -4.101 1.687 0.885 1023TIP3 H137017 -4.188 1.725 0.861 1023TIP3 H237018 -4.122 1.602 0.925 1023TIP3 OH237019 -2.872 2.477 -0.196 1023TIP3 H137020 -2.899 2.403 -0.140 1023TIP3 H237021 -2.775 2.475 -0.186 1023TIP3 OH237022 -4.128 2.857 0.725 1023TIP3 H137023 -4.109 2.763 0.736 1023TIP3 H237024 -4.096 2.891 0.810 1023TIP3 OH237025 -3.544 2.720 -0.577 1023TIP3 H137026 -3.516 2.641 -0.627 1023TIP3 H237027 -3.587 2.680 -0.500 1024TIP3 OH237028 -3.658 2.670 -0.306 1024TIP3 H137029 -3.612 2.620 -0.237 1024TIP3 H237030 -3.646 2.763 -0.275 1024TIP3 OH237031 -3.985 2.413 -0.271 1024TIP3 H137032 -4.056 2.454 -0.215 1024TIP3 H237033 -3.938 2.494 -0.296 1024TIP3 OH237034 -3.210 1.662 0.735 1024TIP3 H137035 -3.148 1.690 0.804 1024TIP3 H237036 -3.259 1.589 0.778 1024TIP3 OH237037 -3.365 2.834 -0.243 1024TIP3 H137038 -3.447 2.883 -0.225 1024TIP3 H237039 -3.330 2.882 -0.319 1024TIP3 OH237040 -3.377 1.802 -0.043 1024TIP3 H137041 -3.322 1.879 -0.020 1024TIP3 H237042 -3.426 1.787 0.041 1024TIP3 OH237043 -3.368 1.897 0.872 1024TIP3 H137044 -3.364 1.949 0.953 1024TIP3 H237045 -3.314 1.820 0.895 1024TIP3 OH237046 -3.318 1.519 0.042 1024TIP3 H137047 -3.355 1.570 0.116 1024TIP3 H237048 -3.247 1.577 0.014 1024TIP3 OH237049 -3.644 2.941 -0.244 1024TIP3 H137050 -3.652 3.021 -0.299 1024TIP3 H237051 -3.659 2.976 -0.154 1024TIP3 OH237052 -3.777 1.609 -0.291 1024TIP3 H137053 -3.764 1.688 -0.237 1024TIP3 H237054 -3.697 1.556 -0.273 1024TIP3 OH237055 -2.742 1.699 0.962 1024TIP3 H137056 -2.838 1.710 0.943 1024TIP3 H237057 -2.712 1.678 0.872 1025TIP3 OH237058 -2.887 2.080 0.357 1025TIP3 H137059 -2.969 2.032 0.335 1025TIP3 H237060 -2.837 2.011 0.407 1025TIP3 OH237061 -3.930 2.697 -0.388 1025TIP3 H137062 -3.854 2.743 -0.349 1025TIP3 H237063 -3.884 2.643 -0.454 1025TIP3 OH237064 -4.113 1.913 -0.471 1025TIP3 H137065 -4.113 2.009 -0.452 1025TIP3 H237066 -4.188 1.900 -0.530 1025TIP3 OH237067 -2.788 2.968 0.502 1025TIP3 H137068 -2.805 3.050 0.451 1025TIP3 H237069 -2.695 2.982 0.526 1025TIP3 OH237070 -4.027 1.411 0.397 1025TIP3 H137071 -4.056 1.406 0.305 1025TIP3 H237072 -4.067 1.330 0.435 1025TIP3 OH237073 -4.135 2.778 0.027 1025TIP3 H137074 -4.227 2.808 0.034 1025TIP3 H237075 -4.107 2.817 -0.056 1025TIP3 OH237076 -4.214 3.053 1.148 1025TIP3 H137077 -4.151 3.052 1.222 1025TIP3 H237078 -4.216 2.957 1.133 1025TIP3 OH237079 -3.719 2.966 1.323 1025TIP3 H137080 -3.656 2.894 1.339 1025TIP3 H237081 -3.750 2.943 1.234 1025TIP3 OH237082 -3.322 2.890 -0.527 1025TIP3 H137083 -3.399 2.830 -0.537 1025TIP3 H237084 -3.253 2.835 -0.565 1025TIP3 OH237085 -3.085 2.797 1.184 1025TIP3 H137086 -3.121 2.712 1.216 1025TIP3 H237087 -3.011 2.812 1.245 1026TIP3 OH237088 -2.860 2.881 -0.517 1026TIP3 H137089 -2.843 2.801 -0.464 1026TIP3 H237090 -2.780 2.885 -0.572 1026TIP3 OH237091 -4.199 2.456 1.209 1026TIP3 H137092 -4.190 2.366 1.173 1026TIP3 H237093 -4.287 2.482 1.178 1026TIP3 OH237094 -3.781 2.464 -0.543 1026TIP3 H137095 -3.763 2.405 -0.468 1026TIP3 H237096 -3.696 2.461 -0.590 1026TIP3 OH237097 -3.539 2.442 1.189 1026TIP3 H137098 -3.569 2.474 1.102 1026TIP3 H237099 -3.531 2.345 1.174 1026TIP3 OH237100 -3.255 2.597 -0.582 1026TIP3 H137101 -3.261 2.593 -0.485 1026TIP3 H237102 -3.261 2.502 -0.604 1026TIP3 OH237103 -3.001 2.403 0.928 1026TIP3 H137104 -2.923 2.456 0.908 1026TIP3 H237105 -3.071 2.470 0.926 1026TIP3 OH237106 -4.134 2.129 1.186 1026TIP3 H137107 -4.056 2.072 1.176 1026TIP3 H237108 -4.125 2.156 1.279 1026TIP3 OH237109 -3.672 2.272 -0.309 1026TIP3 H137110 -3.736 2.223 -0.255 1026TIP3 H237111 -3.644 2.204 -0.373 1026TIP3 OH237112 -3.750 2.049 0.917 1026TIP3 H137113 -3.806 2.127 0.933 1026TIP3 H237114 -3.685 2.084 0.853 1026TIP3 OH237115 -3.576 2.073 -0.484 1026TIP3 H137116 -3.582 2.080 -0.581 1026TIP3 H237117 -3.479 2.076 -0.471 1027TIP3 OH237118 -3.218 2.320 1.273 1027TIP3 H137119 -3.129 2.299 1.239 1027TIP3 H237120 -3.245 2.234 1.309 1027TIP3 OH237121 -2.628 2.321 -0.554 1027TIP3 H137122 -2.648 2.284 -0.641 1027TIP3 H237123 -2.637 2.417 -0.573 1027TIP3 OH237124 -3.691 1.778 1.030 1027TIP3 H137125 -3.684 1.712 0.959 1027TIP3 H237126 -3.711 1.859 0.979 1027TIP3 OH237127 -3.657 1.626 0.775 1027TIP3 H137128 -3.606 1.676 0.709 1027TIP3 H237129 -3.748 1.627 0.739 1027TIP3 OH237130 -3.501 2.170 0.815 1027TIP3 H137131 -3.417 2.161 0.766 1027TIP3 H237132 -3.532 2.257 0.784 1027TIP3 OH237133 -3.044 1.963 1.294 1027TIP3 H137134 -3.021 1.869 1.305 1027TIP3 H237135 -2.955 2.002 1.286 1027TIP3 OH237136 -2.948 2.242 1.143 1027TIP3 H137137 -2.981 2.303 1.073 1027TIP3 H237138 -2.858 2.226 1.108 1027TIP3 OH237139 -3.876 1.968 1.207 1027TIP3 H137140 -3.930 1.886 1.210 1027TIP3 H237141 -3.796 1.938 1.162 1027TIP3 OH237142 -3.585 1.358 0.810 1027TIP3 H137143 -3.604 1.452 0.794 1027TIP3 H237144 -3.655 1.315 0.756 1027TIP3 OH237145 -3.459 1.815 1.189 1027TIP3 H137146 -3.493 1.792 1.277 1027TIP3 H237147 -3.538 1.795 1.135 1028TIP3 OH237148 -3.204 1.720 1.075 1028TIP3 H137149 -3.293 1.723 1.116 1028TIP3 H237150 -3.158 1.656 1.133 1028TIP3 OH237151 -3.022 1.568 1.248 1028TIP3 H137152 -3.036 1.473 1.265 1028TIP3 H237153 -3.038 1.609 1.335 1028TIP3 OH237154 -4.014 1.712 1.192 1028TIP3 H137155 -4.016 1.638 1.128 1028TIP3 H237156 -4.032 1.665 1.276 1028TIP3 OH237157 -3.601 1.307 1.091 1028TIP3 H137158 -3.542 1.230 1.096 1028TIP3 H237159 -3.605 1.321 0.994 1028TIP3 OH237160 -3.506 1.493 1.277 1028TIP3 H137161 -3.536 1.434 1.204 1028TIP3 H237162 -3.575 1.560 1.279 1028TIP3 OH237163 -3.599 3.197 -0.374 1028TIP3 H137164 -3.504 3.209 -0.364 1028TIP3 H237165 -3.614 3.241 -0.458 1028TIP3 OH237166 -4.198 2.687 -0.467 1028TIP3 H137167 -4.123 2.680 -0.406 1028TIP3 H237168 -4.219 2.595 -0.487 1028TIP3 OH237169 -4.273 2.965 0.246 1028TIP3 H137170 -4.277 2.876 0.285 1028TIP3 H237171 -4.244 3.016 0.323 1028TIP3 OH237172 -2.516 3.086 0.552 1028TIP3 H137173 -2.498 3.082 0.647 1028TIP3 H237174 -2.430 3.113 0.517 1028TIP3 OH237175 -2.528 3.030 0.841 1028TIP3 H137176 -2.576 2.954 0.803 1028TIP3 H237177 -2.467 2.983 0.900 1029TIP3 OH237178 -2.726 2.575 1.267 1029TIP3 H137179 -2.813 2.580 1.310 1029TIP3 H237180 -2.680 2.653 1.300 1029TIP3 OH237181 -2.586 2.461 -0.158 1029TIP3 H137182 -2.495 2.495 -0.142 1029TIP3 H237183 -2.593 2.399 -0.083 1029TIP3 OH237184 -2.540 2.259 0.045 1029TIP3 H137185 -2.602 2.193 0.082 1029TIP3 H237186 -2.470 2.264 0.113 1029TIP3 OH237187 -2.566 2.506 0.537 1029TIP3 H137188 -2.501 2.458 0.483 1029TIP3 H237189 -2.553 2.598 0.508 1029TIP3 OH237190 -2.696 2.801 0.761 1029TIP3 H137191 -2.770 2.839 0.812 1029TIP3 H237192 -2.741 2.763 0.683 1029TIP3 OH237193 -2.514 2.203 -0.302 1029TIP3 H137194 -2.565 2.231 -0.380 1029TIP3 H237195 -2.525 2.279 -0.243 1029TIP3 OH237196 -2.686 1.954 -0.478 1029TIP3 H137197 -2.661 2.014 -0.549 1029TIP3 H237198 -2.705 1.871 -0.527 1029TIP3 OH237199 -2.754 2.055 0.111 1029TIP3 H137200 -2.759 1.959 0.110 1029TIP3 H237201 -2.781 2.075 0.203 1029TIP3 OH237202 -4.256 2.321 0.518 1029TIP3 H137203 -4.223 2.344 0.430 1029TIP3 H237204 -4.176 2.280 0.558 1029TIP3 OH237205 -2.685 2.264 1.038 1029TIP3 H137206 -2.612 2.201 1.051 1029TIP3 H237207 -2.639 2.346 1.016 1030TIP3 OH237208 -2.530 2.071 1.161 1030TIP3 H137209 -2.608 2.018 1.135 1030TIP3 H237210 -2.458 2.005 1.152 1030TIP3 OH237211 -2.735 1.692 -0.560 1030TIP3 H137212 -2.674 1.636 -0.511 1030TIP3 H237213 -2.816 1.639 -0.567 1030TIP3 OH237214 -2.817 1.824 -0.085 1030TIP3 H137215 -2.766 1.741 -0.076 1030TIP3 H237216 -2.747 1.884 -0.116 1030TIP3 OH237217 -2.735 1.883 0.482 1030TIP3 H137218 -2.638 1.892 0.478 1030TIP3 H237219 -2.748 1.883 0.578 1030TIP3 OH237220 -2.720 1.951 0.765 1030TIP3 H137221 -2.805 1.991 0.791 1030TIP3 H237222 -2.666 2.030 0.743 1030TIP3 OH237223 -4.285 1.816 1.125 1030TIP3 H137224 -4.196 1.777 1.127 1030TIP3 H237225 -4.343 1.742 1.145 1030TIP3 OH237226 -2.468 1.366 1.293 1030TIP3 H137227 -2.419 1.297 1.243 1030TIP3 H237228 -2.461 1.443 1.234 1030TIP3 OH237229 -2.717 1.559 -0.062 1030TIP3 H137230 -2.693 1.523 0.025 1030TIP3 H237231 -2.791 1.501 -0.088 1030TIP3 OH237232 -4.195 1.670 0.446 1030TIP3 H137233 -4.160 1.580 0.440 1030TIP3 H237234 -4.115 1.723 0.459 1030TIP3 OH237235 -4.332 1.933 0.527 1030TIP3 H137236 -4.295 1.880 0.455 1030TIP3 H237237 -4.313 2.023 0.497 1031TIP3 OH237238 -2.527 1.574 1.119 1031TIP3 H137239 -2.615 1.615 1.120 1031TIP3 H237240 -2.535 1.517 1.040 1031TIP3 OH237241 -2.504 1.581 -0.416 1031TIP3 H137242 -2.459 1.502 -0.448 1031TIP3 H237243 -2.428 1.633 -0.382 1031TIP3 OH237244 -4.316 1.546 -0.120 1031TIP3 H137245 -4.400 1.573 -0.160 1031TIP3 H237246 -4.256 1.615 -0.157 1031TIP3 OH237247 -2.828 3.090 0.132 1031TIP3 H137248 -2.780 3.065 0.051 1031TIP3 H237249 -2.757 3.126 0.186 1031TIP3 OH237250 -4.291 1.443 0.715 1031TIP3 H137251 -4.360 1.433 0.785 1031TIP3 H237252 -4.337 1.488 0.643 1031TIP3 OH237253 -4.117 2.795 1.182 1031TIP3 H137254 -4.168 2.732 1.130 1031TIP3 H237255 -4.134 2.760 1.273 1031TIP3 OH237256 -3.802 2.861 0.775 1031TIP3 H137257 -3.834 2.944 0.735 1031TIP3 H237258 -3.706 2.869 0.755 1031TIP3 OH237259 -3.353 2.990 1.074 1031TIP3 H137260 -3.335 2.972 1.167 1031TIP3 H237261 -3.270 3.034 1.046 1031TIP3 OH237262 -3.124 3.134 1.000 1031TIP3 H137263 -3.053 3.072 0.975 1031TIP3 H237264 -3.091 3.166 1.087 1031TIP3 OH237265 -2.638 1.393 0.915 1031TIP3 H137266 -2.718 1.415 0.864 1031TIP3 H237267 -2.618 1.303 0.882 1032TIP3 OH237268 -4.069 3.165 0.798 1032TIP3 H137269 -4.137 3.214 0.748 1032TIP3 H237270 -4.103 3.173 0.888 1032TIP3 OH237271 -3.818 3.132 0.662 1032TIP3 H137272 -3.905 3.151 0.702 1032TIP3 H237273 -3.814 3.198 0.590 1032TIP3 OH237274 -3.342 3.131 0.616 1032TIP3 H137275 -3.379 3.175 0.538 1032TIP3 H237276 -3.333 3.207 0.677 1032TIP3 OH237277 -3.109 3.003 0.710 1032TIP3 H137278 -3.193 3.039 0.675 1032TIP3 H237279 -3.051 3.080 0.705 1032TIP3 OH237280 -2.856 3.175 0.726 1032TIP3 H137281 -2.859 3.271 0.705 1032TIP3 H237282 -2.826 3.139 0.641 1032TIP3 OH237283 -4.125 3.041 0.496 1032TIP3 H137284 -4.134 2.994 0.581 1032TIP3 H237285 -4.050 2.993 0.456 1032TIP3 OH237286 -3.910 2.914 0.346 1032TIP3 H137287 -3.927 2.821 0.373 1032TIP3 H237288 -3.819 2.928 0.379 1032TIP3 OH237289 -3.629 2.956 0.432 1032TIP3 H137290 -3.612 2.863 0.409 1032TIP3 H237291 -3.624 2.952 0.528 1032TIP3 OH237292 -3.297 1.544 0.351 1032TIP3 H137293 -3.364 1.477 0.374 1032TIP3 H237294 -3.232 1.491 0.302 1032TIP3 OH237295 -2.801 1.350 0.410 1032TIP3 H137296 -2.724 1.391 0.366 1032TIP3 H237297 -2.874 1.374 0.352 1033TIP3 OH237298 -2.602 1.463 0.192 1033TIP3 H137299 -2.530 1.409 0.153 1033TIP3 H237300 -2.558 1.550 0.201 1033TIP3 OH237301 -4.102 1.400 0.113 1033TIP3 H137302 -4.178 1.372 0.061 1033TIP3 H237303 -4.046 1.319 0.106 1033TIP3 OH237304 -4.185 1.366 -0.305 1033TIP3 H137305 -4.132 1.432 -0.354 1033TIP3 H237306 -4.234 1.423 -0.243 1033TIP3 OH237307 -3.610 1.411 0.102 1033TIP3 H137308 -3.514 1.416 0.093 1033TIP3 H237309 -3.620 1.392 0.196 1033TIP3 OH237310 -3.059 1.403 0.244 1033TIP3 H137311 -3.028 1.381 0.155 1033TIP3 H237312 -3.094 1.317 0.274 1033TIP3 OH237313 -2.961 1.414 -0.155 1033TIP3 H137314 -3.042 1.427 -0.206 1033TIP3 H237315 -2.971 1.320 -0.132 1033TIP3 OH237316 -4.186 2.965 -0.200 1033TIP3 H137317 -4.251 2.946 -0.268 1033TIP3 H237318 -4.184 3.062 -0.201 1033TIP3 OH237319 -4.006 1.553 -0.449 1033TIP3 H137320 -3.951 1.492 -0.501 1033TIP3 H237321 -3.944 1.580 -0.379 1033TIP3 OH237322 -3.479 1.572 -0.201 1033TIP3 H137323 -3.470 1.504 -0.132 1033TIP3 H237324 -3.493 1.651 -0.148 1033TIP3 OH237325 -3.295 3.144 -0.366 1033TIP3 H137326 -3.198 3.145 -0.370 1033TIP3 H237327 -3.315 3.078 -0.435 1034TIP3 OH237328 -2.646 3.046 -0.108 1034TIP3 H137329 -2.668 2.963 -0.152 1034TIP3 H237330 -2.648 3.109 -0.182 1034TIP3 OH237331 -4.080 1.444 1.070 1034TIP3 H137332 -4.125 1.366 1.109 1034TIP3 H237333 -3.988 1.427 1.097 1034TIP3 OH237334 -3.842 1.379 1.246 1034TIP3 H137335 -3.761 1.344 1.205 1034TIP3 H237336 -3.878 1.299 1.288 1034TIP3 OH237337 -4.011 3.066 -0.501 1034TIP3 H137338 -4.042 3.082 -0.410 1034TIP3 H237339 -3.942 2.999 -0.486 1034TIP3 OH237340 -3.030 1.286 1.261 1034TIP3 H137341 -3.026 1.247 1.350 1034TIP3 H237342 -2.936 1.286 1.235 1034TIP3 OH237343 -2.697 2.922 1.133 1034TIP3 H137344 -2.767 2.903 1.069 1034TIP3 H237345 -2.711 3.017 1.149 1034TIP3 OH237346 -2.112 2.199 0.605 1034TIP3 H137347 -2.118 2.117 0.657 1034TIP3 H237348 -2.060 2.254 0.666 1034TIP3 OH237349 -2.048 2.655 0.478 1034TIP3 H137350 -2.076 2.565 0.450 1034TIP3 H237351 -1.961 2.635 0.513 1034TIP3 OH237352 -2.375 1.989 0.015 1034TIP3 H137353 -2.409 2.080 0.015 1034TIP3 H237354 -2.444 1.942 -0.033 1034TIP3 OH237355 -2.285 2.225 0.207 1034TIP3 H137356 -2.264 2.142 0.252 1034TIP3 H237357 -2.208 2.234 0.148 1035TIP3 OH237358 -1.895 1.737 0.264 1035TIP3 H137359 -1.931 1.819 0.230 1035TIP3 H237360 -1.941 1.671 0.209 1035TIP3 OH237361 -2.217 1.964 0.341 1035TIP3 H137362 -2.142 1.919 0.383 1035TIP3 H237363 -2.207 1.934 0.249 1035TIP3 OH237364 -2.314 2.546 -0.144 1035TIP3 H137365 -2.326 2.597 -0.225 1035TIP3 H237366 -2.293 2.614 -0.077 1035TIP3 OH237367 -1.131 2.880 0.160 1035TIP3 H137368 -1.071 2.804 0.160 1035TIP3 H237369 -1.068 2.955 0.164 1035TIP3 OH237370 -0.830 2.534 0.885 1035TIP3 H137371 -0.840 2.477 0.808 1035TIP3 H237372 -0.833 2.623 0.844 1035TIP3 OH237373 -1.374 2.101 -0.425 1035TIP3 H137374 -1.284 2.130 -0.405 1035TIP3 H237375 -1.357 2.027 -0.486 1035TIP3 OH237376 -2.059 2.265 0.890 1035TIP3 H137377 -2.043 2.322 0.968 1035TIP3 H237378 -2.155 2.253 0.894 1035TIP3 OH237379 -1.428 2.833 0.073 1035TIP3 H137380 -1.353 2.859 0.128 1035TIP3 H237381 -1.466 2.916 0.042 1035TIP3 OH237382 -1.941 2.852 1.041 1035TIP3 H137383 -1.932 2.813 0.954 1035TIP3 H237384 -2.016 2.804 1.078 1035TIP3 OH237385 -2.042 2.202 -0.060 1035TIP3 H137386 -2.029 2.265 -0.132 1035TIP3 H237387 -2.066 2.121 -0.104 1036TIP3 OH237388 -0.701 2.782 -0.472 1036TIP3 H137389 -0.675 2.870 -0.438 1036TIP3 H237390 -0.631 2.728 -0.432 1036TIP3 OH237391 -2.403 2.465 0.785 1036TIP3 H137392 -2.443 2.462 0.696 1036TIP3 H237393 -2.383 2.371 0.802 1036TIP3 OH237394 -2.397 2.755 0.475 1036TIP3 H137395 -2.305 2.724 0.483 1036TIP3 H237396 -2.402 2.815 0.551 1036TIP3 OH237397 -0.558 2.814 1.053 1036TIP3 H137398 -0.571 2.719 1.037 1036TIP3 H237399 -0.648 2.840 1.082 1036TIP3 OH237400 -1.478 3.129 -0.057 1036TIP3 H137401 -1.470 3.108 -0.151 1036TIP3 H237402 -1.451 3.222 -0.051 1036TIP3 OH237403 -2.085 3.035 0.093 1036TIP3 H137404 -2.066 2.986 0.175 1036TIP3 H237405 -2.166 2.991 0.063 1036TIP3 OH237406 -1.132 3.059 -0.356 1036TIP3 H137407 -1.083 2.986 -0.398 1036TIP3 H237408 -1.141 3.026 -0.265 1036TIP3 OH237409 -1.194 3.011 -0.079 1036TIP3 H137410 -1.291 3.011 -0.076 1036TIP3 H237411 -1.174 2.942 -0.012 1036TIP3 OH237412 -0.840 1.975 1.096 1036TIP3 H137413 -0.914 2.005 1.042 1036TIP3 H237414 -0.847 1.879 1.086 1036TIP3 OH237415 -2.151 2.626 0.888 1036TIP3 H137416 -2.110 2.575 0.960 1036TIP3 H237417 -2.218 2.565 0.855 1037TIP3 OH237418 -1.426 1.681 -0.436 1037TIP3 H137419 -1.479 1.676 -0.356 1037TIP3 H237420 -1.449 1.599 -0.482 1037TIP3 OH237421 -2.142 1.965 0.799 1037TIP3 H137422 -2.102 1.987 0.883 1037TIP3 H237423 -2.147 1.868 0.806 1037TIP3 OH237424 -1.789 1.714 -0.540 1037TIP3 H137425 -1.821 1.674 -0.456 1037TIP3 H237426 -1.871 1.737 -0.583 1037TIP3 OH237427 -2.449 1.696 0.177 1037TIP3 H137428 -2.380 1.696 0.245 1037TIP3 H237429 -2.404 1.660 0.098 1037TIP3 OH237430 -2.305 1.740 -0.278 1037TIP3 H137431 -2.239 1.796 -0.322 1037TIP3 H237432 -2.365 1.806 -0.239 1037TIP3 OH237433 -2.117 1.853 0.080 1037TIP3 H137434 -2.201 1.880 0.039 1037TIP3 H237435 -2.097 1.768 0.036 1037TIP3 OH237436 -1.953 1.949 -0.362 1037TIP3 H137437 -1.987 1.950 -0.453 1037TIP3 H237438 -1.861 1.978 -0.375 1037TIP3 OH237439 -0.866 3.200 1.182 1037TIP3 H137440 -0.843 3.245 1.099 1037TIP3 H237441 -0.795 3.231 1.241 1037TIP3 OH237442 -2.074 2.455 1.124 1037TIP3 H137443 -2.007 2.470 1.193 1037TIP3 H237444 -2.155 2.469 1.177 1037TIP3 OH237445 -1.989 1.597 0.022 1037TIP3 H137446 -2.035 1.515 0.047 1037TIP3 H237447 -1.915 1.563 -0.030 1038TIP3 OH237448 -2.055 2.388 0.390 1038TIP3 H137449 -2.007 2.360 0.310 1038TIP3 H237450 -2.071 2.302 0.432 1038TIP3 OH237451 -2.358 2.216 0.923 1038TIP3 H137452 -2.333 2.168 1.004 1038TIP3 H237453 -2.410 2.151 0.874 1038TIP3 OH237454 -0.613 2.507 1.043 1038TIP3 H137455 -0.706 2.530 1.021 1038TIP3 H237456 -0.575 2.508 0.953 1038TIP3 OH237457 -1.837 2.698 0.130 1038TIP3 H137458 -1.777 2.772 0.114 1038TIP3 H237459 -1.922 2.732 0.103 1038TIP3 OH237460 -2.241 2.197 -0.422 1038TIP3 H137461 -2.181 2.260 -0.378 1038TIP3 H237462 -2.327 2.222 -0.383 1038TIP3 OH237463 -1.795 2.997 0.037 1038TIP3 H137464 -1.890 3.013 0.045 1038TIP3 H237465 -1.758 3.084 0.057 1038TIP3 OH237466 -1.009 2.927 0.902 1038TIP3 H137467 -1.092 2.895 0.863 1038TIP3 H237468 -0.998 3.013 0.857 1038TIP3 OH237469 -0.614 3.045 -0.375 1038TIP3 H137470 -0.539 3.102 -0.399 1038TIP3 H237471 -0.686 3.110 -0.382 1038TIP3 OH237472 -2.207 1.682 0.874 1038TIP3 H137473 -2.296 1.699 0.841 1038TIP3 H237474 -2.213 1.589 0.903 1038TIP3 OH237475 -2.244 2.850 0.726 1038TIP3 H137476 -2.207 2.762 0.745 1038TIP3 H237477 -2.217 2.897 0.805 1039TIP3 OH237478 -1.660 2.713 -0.552 1039TIP3 H137479 -1.638 2.638 -0.611 1039TIP3 H237480 -1.694 2.667 -0.475 1039TIP3 OH237481 -2.092 2.417 -0.272 1039TIP3 H137482 -2.159 2.447 -0.208 1039TIP3 H237483 -2.047 2.501 -0.293 1039TIP3 OH237484 -1.456 2.916 -0.246 1039TIP3 H137485 -1.545 2.881 -0.233 1039TIP3 H237486 -1.434 2.889 -0.336 1039TIP3 OH237487 -1.770 2.912 -0.259 1039TIP3 H137488 -1.765 2.997 -0.306 1039TIP3 H237489 -1.773 2.941 -0.167 1039TIP3 OH237490 -1.869 1.620 -0.287 1039TIP3 H137491 -1.875 1.706 -0.244 1039TIP3 H237492 -1.786 1.582 -0.253 1039TIP3 OH237493 -0.835 1.716 0.962 1039TIP3 H137494 -0.910 1.671 1.005 1039TIP3 H237495 -0.817 1.658 0.887 1039TIP3 OH237496 -2.018 2.693 -0.372 1039TIP3 H137497 -1.954 2.762 -0.349 1039TIP3 H237498 -1.974 2.647 -0.445 1039TIP3 OH237499 -2.232 1.919 -0.502 1039TIP3 H137500 -2.219 2.006 -0.462 1039TIP3 H237501 -2.327 1.910 -0.506 1039TIP3 OH237502 -0.921 2.957 0.506 1039TIP3 H137503 -0.931 3.037 0.453 1039TIP3 H237504 -0.827 2.959 0.525 1039TIP3 OH237505 -2.123 1.435 0.408 1039TIP3 H137506 -2.119 1.420 0.312 1039TIP3 H237507 -2.134 1.346 0.443 1040TIP3 OH237508 -2.255 2.765 0.028 1040TIP3 H137509 -2.330 2.821 0.051 1040TIP3 H237510 -2.211 2.817 -0.041 1040TIP3 OH237511 -2.313 3.059 1.145 1040TIP3 H137512 -2.252 3.031 1.216 1040TIP3 H237513 -2.349 2.973 1.115 1040TIP3 OH237514 -1.855 2.956 1.312 1040TIP3 H137515 -1.779 2.904 1.341 1040TIP3 H237516 -1.860 2.933 1.218 1040TIP3 OH237517 -1.440 2.886 -0.529 1040TIP3 H137518 -1.517 2.825 -0.537 1040TIP3 H237519 -1.369 2.832 -0.566 1040TIP3 OH237520 -1.208 2.791 1.175 1040TIP3 H137521 -1.227 2.698 1.193 1040TIP3 H237522 -1.129 2.808 1.230 1040TIP3 OH237523 -0.984 2.853 -0.513 1040TIP3 H137524 -0.938 2.788 -0.457 1040TIP3 H237525 -0.909 2.881 -0.568 1040TIP3 OH237526 -2.321 2.420 1.260 1040TIP3 H137527 -2.302 2.334 1.219 1040TIP3 H237528 -2.391 2.453 1.201 1040TIP3 OH237529 -1.890 2.472 -0.533 1040TIP3 H137530 -1.883 2.398 -0.469 1040TIP3 H237531 -1.809 2.457 -0.586 1040TIP3 OH237532 -1.369 2.596 -0.555 1040TIP3 H137533 -1.366 2.589 -0.459 1040TIP3 H237534 -1.371 2.502 -0.582 1040TIP3 OH237535 -2.227 2.131 1.169 1040TIP3 H137536 -2.160 2.061 1.170 1040TIP3 H237537 -2.230 2.155 1.263 1041TIP3 OH237538 -1.808 2.251 -0.351 1041TIP3 H137539 -1.826 2.218 -0.262 1041TIP3 H237540 -1.759 2.176 -0.389 1041TIP3 OH237541 -1.824 2.054 0.922 1041TIP3 H137542 -1.893 2.115 0.949 1041TIP3 H237543 -1.819 2.070 0.827 1041TIP3 OH237544 -1.674 2.051 -0.491 1041TIP3 H137545 -1.688 2.073 -0.585 1041TIP3 H237546 -1.582 2.078 -0.476 1041TIP3 OH237547 -0.759 2.289 -0.535 1041TIP3 H137548 -0.773 2.285 -0.631 1041TIP3 H237549 -0.728 2.381 -0.525 1041TIP3 OH237550 -1.036 2.215 1.127 1041TIP3 H137551 -1.069 2.294 1.085 1041TIP3 H237552 -0.946 2.209 1.089 1041TIP3 OH237553 -1.961 1.942 1.194 1041TIP3 H137554 -2.023 1.867 1.187 1041TIP3 H237555 -1.891 1.917 1.132 1041TIP3 OH237556 -2.120 1.706 1.185 1041TIP3 H137557 -2.125 1.634 1.120 1041TIP3 H237558 -2.140 1.660 1.268 1041TIP3 OH237559 -1.636 1.469 1.297 1041TIP3 H137560 -1.637 1.432 1.208 1041TIP3 H237561 -1.678 1.556 1.286 1041TIP3 OH237562 -1.716 3.187 -0.373 1041TIP3 H137563 -1.622 3.203 -0.356 1041TIP3 H237564 -1.728 3.239 -0.453 1041TIP3 OH237565 -2.315 2.641 -0.423 1041TIP3 H137566 -2.220 2.652 -0.404 1041TIP3 H237567 -2.315 2.559 -0.478 1042TIP3 OH237568 -2.424 3.157 0.052 1042TIP3 H137569 -2.496 3.118 -0.002 1042TIP3 H237570 -2.413 3.088 0.121 1042TIP3 OH237571 -2.386 2.958 0.251 1042TIP3 H137572 -2.414 2.871 0.283 1042TIP3 H237573 -2.348 2.993 0.333 1042TIP3 OH237574 -0.635 3.088 0.549 1042TIP3 H137575 -0.617 3.076 0.643 1042TIP3 H237576 -0.547 3.110 0.515 1042TIP3 OH237577 -0.648 3.023 0.839 1042TIP3 H137578 -0.694 2.947 0.800 1042TIP3 H237579 -0.589 2.978 0.901 1042TIP3 OH237580 -0.848 2.567 1.271 1042TIP3 H137581 -0.929 2.573 1.324 1042TIP3 H237582 -0.799 2.647 1.299 1042TIP3 OH237583 -0.830 2.774 0.753 1042TIP3 H137584 -0.891 2.829 0.807 1042TIP3 H237585 -0.878 2.769 0.669 1042TIP3 OH237586 -2.365 2.292 0.496 1042TIP3 H137587 -2.344 2.292 0.401 1042TIP3 H237588 -2.277 2.270 0.533 1042TIP3 OH237589 -0.773 2.256 1.031 1042TIP3 H137590 -0.721 2.187 1.074 1042TIP3 H237591 -0.720 2.336 1.041 1042TIP3 OH237592 -2.379 1.827 1.126 1042TIP3 H137593 -2.286 1.800 1.130 1042TIP3 H237594 -2.424 1.741 1.133 1042TIP3 OH237595 -2.274 1.666 0.421 1042TIP3 H137596 -2.229 1.578 0.422 1042TIP3 H237597 -2.210 1.718 0.471 1043TIP3 OH237598 -2.453 1.934 0.505 1043TIP3 H137599 -2.384 1.920 0.438 1043TIP3 H237600 -2.414 2.006 0.556 1043TIP3 OH237601 -0.623 1.587 1.163 1043TIP3 H137602 -0.717 1.607 1.180 1043TIP3 H237603 -0.627 1.506 1.112 1043TIP3 OH237604 -2.404 1.569 -0.072 1043TIP3 H137605 -2.495 1.565 -0.102 1043TIP3 H237606 -2.355 1.600 -0.150 1043TIP3 OH237607 -0.938 3.092 0.130 1043TIP3 H137608 -0.893 3.066 0.048 1043TIP3 H237609 -0.864 3.124 0.184 1043TIP3 OH237610 -2.397 1.435 0.732 1043TIP3 H137611 -2.465 1.422 0.799 1043TIP3 H237612 -2.441 1.496 0.670 1043TIP3 OH237613 -2.195 2.742 1.189 1043TIP3 H137614 -2.269 2.759 1.130 1043TIP3 H237615 -2.231 2.758 1.276 1043TIP3 OH237616 -1.485 2.981 1.054 1043TIP3 H137617 -1.466 2.939 1.139 1043TIP3 H237618 -1.396 3.007 1.023 1043TIP3 OH237619 -1.240 3.130 0.990 1043TIP3 H137620 -1.177 3.057 0.977 1043TIP3 H237621 -1.215 3.160 1.080 1043TIP3 OH237622 -2.183 3.152 0.805 1043TIP3 H137623 -2.239 3.218 0.761 1043TIP3 H237624 -2.215 3.160 0.896 1043TIP3 OH237625 -1.920 3.096 0.654 1043TIP3 H137626 -2.001 3.105 0.707 1043TIP3 H237627 -1.922 3.173 0.597 1044TIP3 OH237628 -1.443 3.129 0.611 1044TIP3 H137629 -1.501 3.168 0.544 1044TIP3 H237630 -1.452 3.191 0.685 1044TIP3 OH237631 -1.213 2.991 0.699 1044TIP3 H137632 -1.303 3.018 0.671 1044TIP3 H237633 -1.168 3.077 0.701 1044TIP3 OH237634 -0.965 3.172 0.725 1044TIP3 H137635 -0.974 3.267 0.704 1044TIP3 H237636 -0.940 3.137 0.638 1044TIP3 OH237637 -2.221 3.032 0.499 1044TIP3 H137638 -2.221 2.986 0.586 1044TIP3 H237639 -2.143 2.989 0.457 1044TIP3 OH237640 -2.017 2.905 0.347 1044TIP3 H137641 -2.028 2.812 0.375 1044TIP3 H237642 -1.927 2.924 0.380 1044TIP3 OH237643 -1.740 2.946 0.441 1044TIP3 H137644 -1.712 2.857 0.418 1044TIP3 H237645 -1.748 2.943 0.537 1044TIP3 OH237646 -2.161 1.379 0.124 1044TIP3 H137647 -2.248 1.367 0.082 1044TIP3 H237648 -2.119 1.293 0.108 1044TIP3 OH237649 -2.278 2.960 -0.178 1044TIP3 H137650 -2.341 2.950 -0.250 1044TIP3 H237651 -2.277 3.056 -0.169 1044TIP3 OH237652 -2.104 1.551 -0.470 1044TIP3 H137653 -2.057 1.467 -0.478 1044TIP3 H237654 -2.078 1.577 -0.380 1044TIP3 OH237655 -1.609 1.531 -0.191 1044TIP3 H137656 -1.567 1.518 -0.105 1044TIP3 H237657 -1.544 1.492 -0.250 1045TIP3 OH237658 -1.399 3.169 -0.384 1045TIP3 H137659 -1.304 3.149 -0.376 1045TIP3 H237660 -1.431 3.086 -0.424 1045TIP3 OH237661 -0.779 3.031 -0.117 1045TIP3 H137662 -0.763 2.944 -0.156 1045TIP3 H237663 -0.757 3.090 -0.191 1045TIP3 OH237664 -2.194 1.439 1.065 1045TIP3 H137665 -2.236 1.358 1.100 1045TIP3 H237666 -2.101 1.424 1.088 1045TIP3 OH237667 -1.959 1.376 1.241 1045TIP3 H137668 -1.875 1.338 1.213 1045TIP3 H237669 -1.998 1.298 1.284 1045TIP3 OH237670 -2.135 3.051 -0.498 1045TIP3 H137671 -2.156 3.083 -0.409 1045TIP3 H237672 -2.052 3.002 -0.484 1045TIP3 OH237673 -0.810 2.922 1.127 1045TIP3 H137674 -0.885 2.901 1.070 1045TIP3 H237675 -0.828 3.016 1.149 1045TIP3 OH237676 0.621 2.294 0.135 1045TIP3 H137677 0.611 2.391 0.134 1045TIP3 H237678 0.539 2.263 0.095 1045TIP3 OH237679 0.496 2.234 0.446 1045TIP3 H137680 0.497 2.173 0.521 1045TIP3 H237681 0.464 2.175 0.376 1045TIP3 OH237682 0.865 2.510 0.283 1045TIP3 H137683 0.830 2.434 0.331 1045TIP3 H237684 0.891 2.568 0.355 1045TIP3 OH237685 -0.181 2.634 0.462 1045TIP3 H137686 -0.201 2.557 0.408 1045TIP3 H237687 -0.087 2.621 0.483 1046TIP3 OH237688 0.572 3.045 0.340 1046TIP3 H137689 0.630 2.973 0.308 1046TIP3 H237690 0.543 3.010 0.426 1046TIP3 OH237691 0.347 2.486 0.503 1046TIP3 H137692 0.380 2.409 0.453 1046TIP3 H237693 0.427 2.503 0.556 1046TIP3 OH237694 0.587 2.568 0.023 1046TIP3 H137695 0.577 2.559 -0.073 1046TIP3 H237696 0.557 2.660 0.038 1046TIP3 OH237697 0.142 2.361 0.686 1046TIP3 H137698 0.056 2.405 0.690 1046TIP3 H237699 0.196 2.422 0.633 1046TIP3 OH237700 -0.057 2.571 0.770 1046TIP3 H137701 -0.053 2.661 0.734 1046TIP3 H237702 -0.143 2.574 0.815 1046TIP3 OH237703 0.921 2.690 0.533 1046TIP3 H137704 0.824 2.700 0.535 1046TIP3 H237705 0.947 2.776 0.496 1046TIP3 OH237706 0.751 2.883 0.192 1046TIP3 H137707 0.798 2.803 0.161 1046TIP3 H237708 0.818 2.952 0.177 1046TIP3 OH237709 0.890 2.673 0.053 1046TIP3 H137710 0.855 2.619 -0.019 1046TIP3 H237711 0.890 2.608 0.126 1046TIP3 OH237712 1.051 2.552 0.900 1046TIP3 H137713 1.036 2.486 0.830 1046TIP3 H237714 1.063 2.634 0.849 1046TIP3 OH237715 1.231 2.169 0.720 1046TIP3 H137716 1.140 2.201 0.718 1046TIP3 H237717 1.257 2.174 0.627 1047TIP3 OH237718 0.832 2.247 -0.027 1047TIP3 H137719 0.762 2.263 0.040 1047TIP3 H237720 0.879 2.173 0.011 1047TIP3 OH237721 0.844 2.065 0.856 1047TIP3 H137722 0.836 2.137 0.919 1047TIP3 H237723 0.774 2.088 0.793 1047TIP3 OH237724 0.121 2.659 0.424 1047TIP3 H137725 0.118 2.617 0.337 1047TIP3 H237726 0.200 2.617 0.463 1047TIP3 OH237727 0.637 2.753 0.562 1047TIP3 H137728 0.643 2.817 0.635 1047TIP3 H237729 0.620 2.669 0.608 1047TIP3 OH237730 0.131 2.634 0.988 1047TIP3 H137731 0.078 2.699 1.036 1047TIP3 H237732 0.069 2.605 0.918 1047TIP3 OH237733 0.703 2.154 -0.279 1047TIP3 H137734 0.752 2.164 -0.197 1047TIP3 H237735 0.758 2.202 -0.343 1047TIP3 OH237736 -0.211 2.239 0.899 1047TIP3 H137737 -0.181 2.303 0.965 1047TIP3 H237738 -0.287 2.282 0.862 1047TIP3 OH237739 0.471 2.848 0.078 1047TIP3 H137740 0.515 2.876 0.159 1047TIP3 H237741 0.418 2.925 0.054 1047TIP3 OH237742 -0.061 2.853 1.070 1047TIP3 H137743 -0.071 2.854 0.973 1047TIP3 H237744 -0.148 2.823 1.101 1047TIP3 OH237745 1.203 2.774 -0.473 1047TIP3 H137746 1.220 2.868 -0.449 1047TIP3 H237747 1.291 2.734 -0.456 1048TIP3 OH237748 -0.516 2.455 0.771 1048TIP3 H137749 -0.545 2.474 0.680 1048TIP3 H237750 -0.521 2.360 0.774 1048TIP3 OH237751 1.328 2.814 1.050 1048TIP3 H137752 1.317 2.718 1.034 1048TIP3 H237753 1.237 2.838 1.080 1048TIP3 OH237754 0.393 2.739 0.931 1048TIP3 H137755 0.400 2.821 0.984 1048TIP3 H237756 0.303 2.708 0.954 1048TIP3 OH237757 0.419 3.120 -0.070 1048TIP3 H137758 0.422 3.127 -0.167 1048TIP3 H237759 0.428 3.212 -0.041 1048TIP3 OH237760 -0.208 3.029 0.093 1048TIP3 H137761 -0.187 2.982 0.175 1048TIP3 H237762 -0.283 2.975 0.061 1048TIP3 OH237763 0.752 3.061 -0.354 1048TIP3 H137764 0.809 2.995 -0.398 1048TIP3 H237765 0.747 3.024 -0.263 1048TIP3 OH237766 0.691 3.004 -0.072 1048TIP3 H137767 0.596 3.014 -0.058 1048TIP3 H237768 0.710 2.931 -0.011 1048TIP3 OH237769 1.009 1.940 1.079 1048TIP3 H137770 0.955 1.977 1.006 1048TIP3 H237771 1.005 1.846 1.060 1048TIP3 OH237772 -0.298 2.618 0.906 1048TIP3 H137773 -0.266 2.570 0.986 1048TIP3 H237774 -0.368 2.561 0.871 1048TIP3 OH237775 0.862 2.287 -0.468 1048TIP3 H137776 0.858 2.267 -0.563 1048TIP3 H237777 0.956 2.310 -0.458 1049TIP3 OH237778 0.482 2.030 1.127 1049TIP3 H137779 0.437 1.947 1.152 1049TIP3 H237780 0.573 2.012 1.158 1049TIP3 OH237781 -0.226 1.882 0.846 1049TIP3 H137782 -0.156 1.950 0.854 1049TIP3 H237783 -0.226 1.864 0.752 1049TIP3 OH237784 0.583 2.098 0.710 1049TIP3 H137785 0.608 2.024 0.652 1049TIP3 H237786 0.540 2.055 0.785 1049TIP3 OH237787 1.019 3.201 1.183 1049TIP3 H137788 1.042 3.245 1.099 1049TIP3 H237789 1.091 3.231 1.242 1049TIP3 OH237790 -0.190 2.461 1.114 1049TIP3 H137791 -0.119 2.466 1.181 1049TIP3 H237792 -0.267 2.457 1.174 1049TIP3 OH237793 0.352 1.974 0.413 1049TIP3 H137794 0.409 1.934 0.346 1049TIP3 H237795 0.341 1.906 0.479 1049TIP3 OH237796 1.005 2.371 0.684 1049TIP3 H137797 1.065 2.416 0.620 1049TIP3 H237798 0.928 2.352 0.628 1049TIP3 OH237799 0.465 2.457 0.942 1049TIP3 H137800 0.431 2.414 1.021 1049TIP3 H237801 0.427 2.545 0.947 1049TIP3 OH237802 0.513 2.576 -0.292 1049TIP3 H137803 0.484 2.663 -0.257 1049TIP3 H237804 0.438 2.519 -0.270 1049TIP3 OH237805 0.235 2.167 1.123 1049TIP3 H137806 0.196 2.140 1.037 1049TIP3 H237807 0.327 2.137 1.111 1050TIP3 OH237808 0.685 2.715 0.887 1050TIP3 H137809 0.588 2.715 0.883 1050TIP3 H237810 0.700 2.731 0.981 1050TIP3 OH237811 1.284 2.520 1.046 1050TIP3 H137812 1.189 2.536 1.028 1050TIP3 H237813 1.315 2.496 0.956 1050TIP3 OH237814 1.058 2.774 -0.222 1050TIP3 H137815 1.025 2.697 -0.173 1050TIP3 H237816 1.111 2.736 -0.292 1050TIP3 OH237817 0.798 2.280 0.491 1050TIP3 H137818 0.702 2.270 0.477 1050TIP3 H237819 0.829 2.191 0.470 1050TIP3 OH237820 0.052 2.688 0.099 1050TIP3 H137821 0.100 2.772 0.100 1050TIP3 H237822 -0.039 2.716 0.105 1050TIP3 OH237823 0.244 2.910 0.716 1050TIP3 H137824 0.301 2.984 0.688 1050TIP3 H237825 0.305 2.859 0.772 1050TIP3 OH237826 0.090 3.000 0.043 1050TIP3 H137827 -0.006 3.012 0.050 1050TIP3 H237828 0.123 3.089 0.065 1050TIP3 OH237829 0.597 2.479 0.672 1050TIP3 H137830 0.559 2.456 0.758 1050TIP3 H237831 0.668 2.414 0.664 1050TIP3 OH237832 0.794 2.614 -0.428 1050TIP3 H137833 0.842 2.569 -0.356 1050TIP3 H237834 0.703 2.594 -0.403 1050TIP3 OH237835 0.880 2.942 0.914 1050TIP3 H137836 0.805 2.894 0.874 1050TIP3 H237837 0.888 3.020 0.855 1051TIP3 OH237838 1.276 3.041 -0.381 1051TIP3 H137839 1.346 3.105 -0.403 1051TIP3 H237840 1.200 3.101 -0.381 1051TIP3 OH237841 0.919 2.483 -0.190 1051TIP3 H137842 0.875 2.404 -0.152 1051TIP3 H237843 1.012 2.462 -0.170 1051TIP3 OH237844 -0.363 2.858 0.719 1051TIP3 H137845 -0.335 2.766 0.724 1051TIP3 H237846 -0.334 2.891 0.805 1051TIP3 OH237847 0.223 2.716 -0.578 1051TIP3 H137848 0.250 2.635 -0.626 1051TIP3 H237849 0.194 2.678 -0.493 1051TIP3 OH237850 0.141 2.655 -0.305 1051TIP3 H137851 0.162 2.608 -0.223 1051TIP3 H237852 0.132 2.747 -0.274 1051TIP3 OH237853 0.410 2.835 -0.242 1051TIP3 H137854 0.324 2.879 -0.227 1051TIP3 H237855 0.442 2.881 -0.321 1051TIP3 OH237856 0.372 1.878 0.885 1051TIP3 H137857 0.392 1.952 0.943 1051TIP3 H237858 0.449 1.821 0.896 1051TIP3 OH237859 0.127 2.935 -0.244 1051TIP3 H137860 0.119 3.017 -0.297 1051TIP3 H237861 0.112 2.968 -0.154 1051TIP3 OH237862 0.983 2.969 0.501 1051TIP3 H137863 0.967 3.052 0.451 1051TIP3 H237864 1.075 2.981 0.527 1051TIP3 OH237865 -0.371 2.790 0.043 1051TIP3 H137866 -0.466 2.793 0.023 1051TIP3 H237867 -0.335 2.806 -0.045 1052TIP3 OH237868 -0.426 3.059 1.143 1052TIP3 H137869 -0.368 3.031 1.216 1052TIP3 H237870 -0.464 2.974 1.114 1052TIP3 OH237871 0.043 2.966 1.321 1052TIP3 H137872 0.112 2.901 1.342 1052TIP3 H237873 0.021 2.939 1.230 1052TIP3 OH237874 0.448 2.888 -0.527 1052TIP3 H137875 0.373 2.826 -0.538 1052TIP3 H237876 0.520 2.836 -0.565 1052TIP3 OH237877 0.689 2.793 1.181 1052TIP3 H137878 0.651 2.711 1.216 1052TIP3 H237879 0.760 2.812 1.245 1052TIP3 OH237880 0.911 2.880 -0.518 1052TIP3 H137881 0.927 2.800 -0.465 1052TIP3 H237882 0.991 2.884 -0.573 1052TIP3 OH237883 -0.431 2.430 1.252 1052TIP3 H137884 -0.416 2.336 1.229 1052TIP3 H237885 -0.510 2.451 1.200 1052TIP3 OH237886 0.231 2.444 1.191 1052TIP3 H137887 0.205 2.474 1.103 1052TIP3 H237888 0.245 2.348 1.178 1052TIP3 OH237889 0.512 2.588 -0.581 1052TIP3 H137890 0.504 2.584 -0.485 1052TIP3 H237891 0.500 2.494 -0.605 1052TIP3 OH237892 0.767 2.405 0.929 1052TIP3 H137893 0.846 2.456 0.905 1052TIP3 H237894 0.697 2.472 0.926 1052TIP3 OH237895 -0.337 2.160 1.196 1052TIP3 H137896 -0.266 2.094 1.183 1052TIP3 H237897 -0.336 2.168 1.293 1053TIP3 OH237898 0.026 2.059 0.905 1053TIP3 H137899 -0.032 2.135 0.923 1053TIP3 H237900 0.084 2.095 0.835 1053TIP3 OH237901 0.552 2.319 1.272 1053TIP3 H137902 0.640 2.299 1.238 1053TIP3 H237903 0.525 2.233 1.307 1053TIP3 OH237904 1.141 2.320 -0.553 1053TIP3 H137905 1.122 2.283 -0.640 1053TIP3 H237906 1.137 2.416 -0.572 1053TIP3 OH237907 0.075 1.791 1.040 1053TIP3 H137908 0.058 1.717 0.980 1053TIP3 H237909 0.069 1.868 0.980 1053TIP3 OH237910 0.294 2.179 0.817 1053TIP3 H137911 0.366 2.169 0.753 1053TIP3 H237912 0.242 2.250 0.774 1053TIP3 OH237913 0.728 1.965 1.301 1053TIP3 H137914 0.746 1.870 1.298 1053TIP3 H237915 0.817 2.002 1.287 1053TIP3 OH237916 0.824 2.228 1.128 1053TIP3 H137917 0.788 2.289 1.061 1053TIP3 H237918 0.918 2.224 1.098 1053TIP3 OH237919 -0.108 1.954 1.203 1053TIP3 H137920 -0.168 1.878 1.204 1053TIP3 H237921 -0.030 1.918 1.157 1053TIP3 OH237922 0.327 1.805 1.185 1053TIP3 H137923 0.292 1.788 1.274 1053TIP3 H237924 0.245 1.798 1.132 1053TIP3 OH237925 0.586 1.731 1.058 1053TIP3 H137926 0.500 1.730 1.102 1053TIP3 H237927 0.635 1.660 1.103 1054TIP3 OH237928 0.749 1.527 1.251 1054TIP3 H137929 0.739 1.436 1.281 1054TIP3 H237930 0.731 1.579 1.331 1054TIP3 OH237931 -0.287 1.694 1.153 1054TIP3 H137932 -0.236 1.620 1.121 1054TIP3 H237933 -0.296 1.670 1.248 1054TIP3 OH237934 0.266 1.499 1.304 1054TIP3 H137935 0.268 1.447 1.223 1054TIP3 H237936 0.197 1.567 1.288 1054TIP3 OH237937 0.172 3.196 -0.374 1054TIP3 H137938 0.267 3.207 -0.362 1054TIP3 H237939 0.159 3.242 -0.458 1054TIP3 OH237940 -0.429 2.661 -0.458 1054TIP3 H137941 -0.368 2.651 -0.384 1054TIP3 H237942 -0.462 2.570 -0.470 1054TIP3 OH237943 -0.552 3.149 0.045 1054TIP3 H137944 -0.623 3.104 -0.003 1054TIP3 H237945 -0.531 3.083 0.114 1054TIP3 OH237946 -0.509 2.964 0.261 1054TIP3 H137947 -0.522 2.869 0.271 1054TIP3 H237948 -0.461 2.987 0.342 1054TIP3 OH237949 1.256 3.086 0.551 1054TIP3 H137950 1.271 3.082 0.647 1054TIP3 H237951 1.343 3.115 0.520 1054TIP3 OH237952 1.247 3.029 0.839 1054TIP3 H137953 1.193 2.955 0.804 1054TIP3 H237954 1.299 2.982 0.905 1054TIP3 OH237955 1.046 2.572 1.269 1054TIP3 H137956 0.957 2.578 1.308 1054TIP3 H237957 1.090 2.652 1.301 1055TIP3 OH237958 1.191 2.418 -0.120 1055TIP3 H137959 1.279 2.457 -0.105 1055TIP3 H237960 1.189 2.346 -0.055 1055TIP3 OH237961 1.205 2.507 0.538 1055TIP3 H137962 1.264 2.453 0.482 1055TIP3 H237963 1.219 2.596 0.503 1055TIP3 OH237964 1.077 2.803 0.760 1055TIP3 H137965 1.002 2.838 0.812 1055TIP3 H237966 1.031 2.763 0.684 1055TIP3 OH237967 1.264 2.194 -0.301 1055TIP3 H137968 1.202 2.206 -0.374 1055TIP3 H237969 1.240 2.265 -0.240 1055TIP3 OH237970 1.131 1.934 -0.488 1055TIP3 H137971 1.095 2.001 -0.545 1055TIP3 H237972 1.072 1.858 -0.499 1055TIP3 OH237973 1.039 2.041 0.177 1055TIP3 H137974 1.043 1.985 0.097 1055TIP3 H237975 0.961 2.095 0.167 1055TIP3 OH237976 1.091 2.265 1.054 1055TIP3 H137977 1.160 2.196 1.047 1055TIP3 H237978 1.137 2.343 1.020 1055TIP3 OH237979 1.247 2.051 1.158 1055TIP3 H137980 1.164 2.007 1.128 1055TIP3 H237981 1.312 1.982 1.135 1055TIP3 OH237982 1.350 1.419 1.281 1055TIP3 H137983 1.330 1.324 1.286 1055TIP3 H237984 1.289 1.452 1.216 1055TIP3 OH237985 0.943 3.094 0.131 1055TIP3 H137986 0.990 3.065 0.051 1055TIP3 H237987 1.016 3.124 0.187 1056TIP3 OH237988 -0.314 2.760 1.203 1056TIP3 H137989 -0.388 2.759 1.141 1056TIP3 H237990 -0.359 2.755 1.289 1056TIP3 OH237991 -0.033 2.858 0.771 1056TIP3 H137992 -0.062 2.944 0.736 1056TIP3 H237993 0.063 2.866 0.754 1056TIP3 OH237994 0.418 2.992 1.074 1056TIP3 H137995 0.434 2.971 1.168 1056TIP3 H237996 0.502 3.033 1.048 1056TIP3 OH237997 0.649 3.136 0.996 1056TIP3 H137998 0.716 3.070 0.973 1056TIP3 H237999 0.679 3.165 1.084 1056TIP3 OH238000 -0.293 3.155 0.805 1056TIP3 H138001 -0.354 3.216 0.760 1056TIP3 H238002 -0.328 3.157 0.895 1056TIP3 OH238003 -0.044 3.132 0.661 1056TIP3 H138004 -0.130 3.149 0.704 1056TIP3 H238005 -0.042 3.200 0.592 1056TIP3 OH238006 0.430 3.131 0.616 1056TIP3 H138007 0.391 3.176 0.538 1056TIP3 H238008 0.438 3.205 0.679 1056TIP3 OH238009 0.664 3.004 0.708 1056TIP3 H138010 0.579 3.038 0.674 1056TIP3 H238011 0.719 3.083 0.706 1056TIP3 OH238012 0.918 3.176 0.727 1056TIP3 H138013 0.913 3.271 0.704 1056TIP3 H238014 0.944 3.138 0.642 1056TIP3 OH238015 -0.339 3.031 0.496 1056TIP3 H138016 -0.346 2.980 0.580 1056TIP3 H238017 -0.261 2.987 0.455 1057TIP3 OH238018 -0.134 2.898 0.344 1057TIP3 H138019 -0.149 2.806 0.371 1057TIP3 H238020 -0.044 2.915 0.376 1057TIP3 OH238021 0.142 2.957 0.432 1057TIP3 H138022 0.162 2.864 0.410 1057TIP3 H238023 0.149 2.953 0.529 1057TIP3 OH238024 -0.381 2.958 -0.190 1057TIP3 H138025 -0.457 2.939 -0.247 1057TIP3 H238026 -0.394 3.052 -0.172 1057TIP3 OH238027 0.477 3.145 -0.367 1057TIP3 H138028 0.574 3.145 -0.370 1057TIP3 H238029 0.456 3.078 -0.434 1057TIP3 OH238030 1.126 3.046 -0.107 1057TIP3 H138031 1.104 2.961 -0.150 1057TIP3 H238032 1.124 3.106 -0.183 1057TIP3 OH238033 -0.094 1.378 1.252 1057TIP3 H138034 -0.019 1.334 1.210 1057TIP3 H238035 -0.141 1.304 1.292 1057TIP3 OH238036 -0.244 3.059 -0.498 1057TIP3 H138037 -0.274 3.078 -0.408 1057TIP3 H238038 -0.165 3.005 -0.482 1057TIP3 OH238039 1.077 2.924 1.130 1057TIP3 H138040 1.004 2.902 1.070 1057TIP3 H238041 1.058 3.017 1.151 1057TIP3 OH238042 2.497 2.294 0.148 1057TIP3 H138043 2.495 2.391 0.147 1057TIP3 H238044 2.427 2.271 0.085 1057TIP3 OH238045 2.368 2.241 0.453 1057TIP3 H138046 2.376 2.181 0.529 1057TIP3 H238047 2.358 2.177 0.381 1058TIP3 OH238048 1.625 2.196 0.621 1058TIP3 H138049 1.625 2.117 0.677 1058TIP3 H238050 1.702 2.243 0.655 1058TIP3 OH238051 2.749 2.510 0.283 1058TIP3 H138052 2.712 2.436 0.335 1058TIP3 H238053 2.779 2.569 0.353 1058TIP3 OH238054 1.725 2.649 0.453 1058TIP3 H138055 1.682 2.564 0.428 1058TIP3 H238056 1.788 2.615 0.518 1058TIP3 OH238057 1.468 2.240 0.218 1058TIP3 H138058 1.454 2.145 0.230 1058TIP3 H238059 1.530 2.240 0.145 1058TIP3 OH238060 2.453 3.042 0.339 1058TIP3 H138061 2.514 2.972 0.308 1058TIP3 H238062 2.431 3.011 0.428 1058TIP3 OH238063 2.220 2.495 0.490 1058TIP3 H138064 2.253 2.413 0.450 1058TIP3 H238065 2.295 2.516 0.547 1058TIP3 OH238066 3.098 1.635 0.576 1058TIP3 H138067 3.120 1.698 0.646 1058TIP3 H238068 3.154 1.667 0.503 1058TIP3 OH238069 2.576 1.908 0.561 1058TIP3 H138070 2.541 1.817 0.571 1058TIP3 H238071 2.553 1.922 0.468 1058TIP3 OH238072 2.659 1.734 0.089 1058TIP3 H138073 2.702 1.702 0.171 1058TIP3 H238074 2.728 1.789 0.050 1058TIP3 OH238075 1.611 1.985 0.348 1058TIP3 H138076 1.644 1.917 0.407 1058TIP3 H238077 1.571 1.936 0.275 1059TIP3 OH238078 2.067 2.135 0.267 1059TIP3 H138079 2.138 2.081 0.306 1059TIP3 H238080 2.017 2.067 0.218 1059TIP3 OH238081 3.172 1.777 0.821 1059TIP3 H138082 3.112 1.847 0.791 1059TIP3 H238083 3.144 1.769 0.914 1059TIP3 OH238084 2.469 2.566 0.025 1059TIP3 H138085 2.469 2.554 -0.071 1059TIP3 H238086 2.445 2.660 0.034 1059TIP3 OH238087 2.036 2.389 0.698 1059TIP3 H138088 1.958 2.443 0.722 1059TIP3 H238089 2.092 2.453 0.651 1059TIP3 OH238090 2.834 1.660 0.306 1059TIP3 H138091 2.786 1.597 0.361 1059TIP3 H238092 2.872 1.721 0.370 1059TIP3 OH238093 1.827 2.577 0.756 1059TIP3 H138094 1.823 2.674 0.747 1059TIP3 H238095 1.745 2.560 0.806 1059TIP3 OH238096 1.457 2.542 -0.146 1059TIP3 H138097 1.431 2.590 -0.227 1059TIP3 H238098 1.470 2.614 -0.081 1059TIP3 OH238099 2.806 2.689 0.532 1059TIP3 H138100 2.709 2.701 0.535 1059TIP3 H238101 2.834 2.776 0.496 1059TIP3 OH238102 2.824 1.580 0.679 1059TIP3 H138103 2.753 1.638 0.648 1059TIP3 H238104 2.895 1.597 0.615 1059TIP3 OH238105 2.115 1.331 0.355 1059TIP3 H138106 2.130 1.250 0.404 1059TIP3 H238107 2.068 1.389 0.416 1060TIP3 OH238108 2.633 2.883 0.183 1060TIP3 H138109 2.685 2.804 0.158 1060TIP3 H238110 2.703 2.952 0.179 1060TIP3 OH238111 2.775 2.671 0.054 1060TIP3 H138112 2.740 2.620 -0.020 1060TIP3 H238113 2.775 2.605 0.126 1060TIP3 OH238114 2.937 2.552 0.900 1060TIP3 H138115 2.924 2.487 0.829 1060TIP3 H238116 2.948 2.635 0.850 1060TIP3 OH238117 2.355 2.262 -0.132 1060TIP3 H138118 2.289 2.285 -0.198 1060TIP3 H238119 2.434 2.248 -0.188 1060TIP3 OH238120 2.391 2.060 -0.424 1060TIP3 H138121 2.462 2.091 -0.364 1060TIP3 H238122 2.443 2.005 -0.485 1060TIP3 OH238123 3.112 2.170 0.695 1060TIP3 H138124 3.039 2.234 0.703 1060TIP3 H238125 3.158 2.205 0.616 1060TIP3 OH238126 2.713 2.244 -0.020 1060TIP3 H138127 2.644 2.261 0.048 1060TIP3 H238128 2.771 2.183 0.029 1060TIP3 OH238129 2.698 2.099 0.861 1060TIP3 H138130 2.699 2.182 0.911 1060TIP3 H238131 2.631 2.122 0.795 1060TIP3 OH238132 1.906 2.360 0.146 1060TIP3 H138133 1.855 2.311 0.079 1060TIP3 H238134 1.956 2.287 0.188 1060TIP3 OH238135 1.926 2.206 0.503 1060TIP3 H138136 1.989 2.198 0.430 1060TIP3 H238137 1.975 2.261 0.568 1061TIP3 OH238138 2.522 2.752 0.562 1061TIP3 H138139 2.528 2.818 0.633 1061TIP3 H238140 2.503 2.669 0.609 1061TIP3 OH238141 2.016 2.635 0.986 1061TIP3 H138142 1.965 2.698 1.040 1061TIP3 H238143 1.950 2.605 0.922 1061TIP3 OH238144 2.605 2.190 -0.276 1061TIP3 H138145 2.655 2.214 -0.195 1061TIP3 H238146 2.656 2.238 -0.345 1061TIP3 OH238147 1.708 2.280 0.896 1061TIP3 H138148 1.710 2.327 0.982 1061TIP3 H238149 1.613 2.259 0.888 1061TIP3 OH238150 2.332 2.844 0.095 1061TIP3 H138151 2.404 2.874 0.153 1061TIP3 H238152 2.306 2.926 0.050 1061TIP3 OH238153 1.824 2.852 1.071 1061TIP3 H138154 1.811 2.851 0.974 1061TIP3 H238155 1.737 2.824 1.105 1061TIP3 OH238156 2.927 1.367 -0.335 1061TIP3 H138157 2.860 1.368 -0.267 1061TIP3 H238158 2.979 1.446 -0.315 1061TIP3 OH238159 1.766 2.194 -0.078 1061TIP3 H138160 1.742 2.261 -0.144 1061TIP3 H238161 1.707 2.121 -0.102 1061TIP3 OH238162 3.088 2.774 -0.467 1061TIP3 H138163 3.105 2.868 -0.450 1061TIP3 H238164 3.177 2.735 -0.453 1061TIP3 OH238165 1.372 2.460 0.778 1061TIP3 H138166 1.323 2.457 0.694 1061TIP3 H238167 1.383 2.364 0.796 1062TIP3 OH238168 1.375 2.760 0.471 1062TIP3 H138169 1.464 2.723 0.484 1062TIP3 H238170 1.366 2.814 0.550 1062TIP3 OH238171 3.214 2.815 1.052 1062TIP3 H138172 3.203 2.720 1.033 1062TIP3 H238173 3.123 2.838 1.081 1062TIP3 OH238174 2.278 2.739 0.930 1062TIP3 H138175 2.287 2.820 0.985 1062TIP3 H238176 2.189 2.707 0.956 1062TIP3 OH238177 2.309 3.115 -0.070 1062TIP3 H138178 2.308 3.126 -0.167 1062TIP3 H238179 2.311 3.208 -0.039 1062TIP3 OH238180 1.685 3.034 0.089 1062TIP3 H138181 1.702 2.986 0.173 1062TIP3 H238182 1.603 2.993 0.060 1062TIP3 OH238183 2.639 3.061 -0.353 1062TIP3 H138184 2.697 2.997 -0.398 1062TIP3 H238185 2.634 3.022 -0.263 1062TIP3 OH238186 2.577 3.001 -0.075 1062TIP3 H138187 2.483 3.020 -0.058 1062TIP3 H238188 2.598 2.936 -0.005 1062TIP3 OH238189 2.896 1.951 1.091 1062TIP3 H138190 2.838 1.989 1.023 1062TIP3 H238191 2.895 1.857 1.066 1062TIP3 OH238192 1.589 2.616 0.904 1062TIP3 H138193 1.617 2.570 0.986 1062TIP3 H238194 1.516 2.560 0.872 1062TIP3 OH238195 1.869 1.471 0.474 1062TIP3 H138196 1.780 1.439 0.456 1062TIP3 H238197 1.856 1.537 0.543 1063TIP3 OH238198 2.351 1.420 0.854 1063TIP3 H138199 2.394 1.353 0.911 1063TIP3 H238200 2.257 1.396 0.856 1063TIP3 OH238201 2.674 1.804 0.913 1063TIP3 H138202 2.599 1.783 0.972 1063TIP3 H238203 2.652 1.894 0.883 1063TIP3 OH238204 2.764 2.294 -0.479 1063TIP3 H138205 2.749 2.275 -0.574 1063TIP3 H238206 2.857 2.320 -0.483 1063TIP3 OH238207 2.285 1.651 -0.460 1063TIP3 H138208 2.266 1.665 -0.366 1063TIP3 H238209 2.277 1.555 -0.466 1063TIP3 OH238210 1.866 1.905 0.607 1063TIP3 H138211 1.803 1.923 0.679 1063TIP3 H238212 1.870 1.991 0.562 1063TIP3 OH238213 1.903 1.936 0.113 1063TIP3 H138214 1.807 1.944 0.098 1063TIP3 H238215 1.934 1.918 0.022 1063TIP3 OH238216 2.460 2.017 -0.008 1063TIP3 H138217 2.403 2.082 -0.052 1063TIP3 H238218 2.513 1.982 -0.081 1063TIP3 OH238219 2.368 2.027 1.125 1063TIP3 H138220 2.317 1.950 1.157 1063TIP3 H238221 2.456 2.011 1.163 1063TIP3 OH238222 2.549 1.966 0.264 1063TIP3 H138223 2.509 2.004 0.183 1063TIP3 H238224 2.537 1.870 0.245 1063TIP3 OH238225 1.629 1.939 0.805 1063TIP3 H138226 1.643 1.967 0.897 1063TIP3 H238227 1.564 1.867 0.814 1064TIP3 OH238228 1.430 1.742 -0.259 1064TIP3 H138229 1.499 1.795 -0.299 1064TIP3 H238230 1.375 1.806 -0.211 1064TIP3 OH238231 2.452 2.109 0.710 1064TIP3 H138232 2.494 2.035 0.660 1064TIP3 H238233 2.411 2.060 0.784 1064TIP3 OH238234 2.110 1.685 0.217 1064TIP3 H138235 2.060 1.729 0.287 1064TIP3 H238236 2.194 1.667 0.265 1064TIP3 OH238237 1.629 1.854 0.042 1064TIP3 H138238 1.544 1.902 0.023 1064TIP3 H238239 1.604 1.769 0.005 1064TIP3 OH238240 1.974 1.849 -0.142 1064TIP3 H138241 2.071 1.861 -0.137 1064TIP3 H238242 1.948 1.903 -0.220 1064TIP3 OH238243 1.843 1.993 -0.369 1064TIP3 H138244 1.774 1.960 -0.430 1064TIP3 H238245 1.916 2.011 -0.431 1064TIP3 OH238246 2.906 3.200 1.182 1064TIP3 H138247 2.927 3.245 1.099 1064TIP3 H238248 2.976 3.231 1.241 1064TIP3 OH238249 1.697 2.467 1.126 1064TIP3 H138250 1.764 2.471 1.197 1064TIP3 H238251 1.616 2.459 1.180 1064TIP3 OH238252 2.267 1.959 0.401 1064TIP3 H138253 2.330 1.899 0.356 1064TIP3 H238254 2.245 1.896 0.472 1064TIP3 OH238255 2.139 1.808 0.635 1064TIP3 H138256 2.066 1.871 0.635 1064TIP3 H238257 2.197 1.840 0.707 1065TIP3 OH238258 2.139 2.470 -0.150 1065TIP3 H138259 2.087 2.407 -0.204 1065TIP3 H238260 2.171 2.412 -0.079 1065TIP3 OH238261 2.902 2.364 0.684 1065TIP3 H138262 2.950 2.418 0.619 1065TIP3 H238263 2.816 2.351 0.639 1065TIP3 OH238264 2.589 1.725 -0.424 1065TIP3 H138265 2.492 1.723 -0.414 1065TIP3 H238266 2.614 1.795 -0.360 1065TIP3 OH238267 2.344 2.450 0.943 1065TIP3 H138268 2.314 2.414 1.028 1065TIP3 H238269 2.312 2.541 0.945 1065TIP3 OH238270 2.670 1.910 -0.223 1065TIP3 H138271 2.753 1.898 -0.174 1065TIP3 H238272 2.678 2.001 -0.256 1065TIP3 OH238273 1.700 2.380 0.384 1065TIP3 H138274 1.758 2.361 0.309 1065TIP3 H238275 1.694 2.293 0.427 1065TIP3 OH238276 2.419 2.583 -0.292 1065TIP3 H138277 2.389 2.671 -0.259 1065TIP3 H238278 2.345 2.527 -0.268 1065TIP3 OH238279 1.418 2.214 0.918 1065TIP3 H138280 1.429 2.162 1.001 1065TIP3 H238281 1.354 2.161 0.866 1065TIP3 OH238282 2.113 2.164 1.111 1065TIP3 H138283 2.085 2.139 1.021 1065TIP3 H238284 2.205 2.133 1.109 1065TIP3 OH238285 2.570 2.711 0.889 1065TIP3 H138286 2.473 2.715 0.884 1065TIP3 H238287 2.586 2.732 0.982 1066TIP3 OH238288 3.167 1.902 -0.264 1066TIP3 H138289 3.091 1.883 -0.324 1066TIP3 H238290 3.154 1.999 -0.256 1066TIP3 OH238291 3.168 2.517 1.047 1066TIP3 H138292 3.074 2.538 1.028 1066TIP3 H238293 3.201 2.498 0.957 1066TIP3 OH238294 2.940 2.772 -0.223 1066TIP3 H138295 2.925 2.692 -0.171 1066TIP3 H238296 2.996 2.741 -0.296 1066TIP3 OH238297 2.667 2.308 0.513 1066TIP3 H138298 2.574 2.290 0.491 1066TIP3 H238299 2.711 2.234 0.466 1066TIP3 OH238300 1.527 2.204 -0.419 1066TIP3 H138301 1.581 2.271 -0.373 1066TIP3 H238302 1.438 2.218 -0.380 1066TIP3 OH238303 2.132 2.910 0.713 1066TIP3 H138304 2.188 2.987 0.692 1066TIP3 H238305 2.190 2.860 0.773 1066TIP3 OH238306 1.979 2.969 0.060 1066TIP3 H138307 1.884 2.990 0.056 1066TIP3 H238308 2.017 3.057 0.075 1066TIP3 OH238309 2.470 2.488 0.673 1066TIP3 H138310 2.439 2.457 0.760 1066TIP3 H238311 2.540 2.424 0.652 1066TIP3 OH238312 2.686 2.615 -0.433 1066TIP3 H138313 2.730 2.572 -0.358 1066TIP3 H238314 2.593 2.600 -0.407 1066TIP3 OH238315 2.766 2.942 0.913 1066TIP3 H138316 2.690 2.895 0.872 1066TIP3 H238317 2.775 3.021 0.856 1067TIP3 OH238318 3.161 3.042 -0.380 1067TIP3 H138319 3.232 3.104 -0.404 1067TIP3 H238320 3.085 3.103 -0.383 1067TIP3 OH238321 2.784 2.479 -0.191 1067TIP3 H138322 2.759 2.402 -0.136 1067TIP3 H238323 2.881 2.474 -0.189 1067TIP3 OH238324 1.532 2.852 0.720 1067TIP3 H138325 1.552 2.760 0.746 1067TIP3 H238326 1.546 2.896 0.805 1067TIP3 OH238327 2.112 2.721 -0.578 1067TIP3 H138328 2.140 2.643 -0.628 1067TIP3 H238329 2.069 2.681 -0.501 1067TIP3 OH238330 2.002 2.673 -0.309 1067TIP3 H138331 2.049 2.617 -0.244 1067TIP3 H238332 2.016 2.763 -0.275 1067TIP3 OH238333 1.682 2.418 -0.262 1067TIP3 H138334 1.606 2.453 -0.212 1067TIP3 H238335 1.722 2.500 -0.295 1067TIP3 OH238336 2.444 1.694 0.758 1067TIP3 H138337 2.525 1.673 0.806 1067TIP3 H238338 2.404 1.606 0.746 1067TIP3 OH238339 2.490 1.668 -0.148 1067TIP3 H138340 2.563 1.669 -0.210 1067TIP3 H238341 2.536 1.669 -0.062 1067TIP3 OH238342 2.292 2.836 -0.239 1067TIP3 H138343 2.208 2.885 -0.229 1067TIP3 H238344 2.329 2.879 -0.318 1067TIP3 OH238345 2.232 1.816 -0.037 1067TIP3 H138346 2.326 1.840 -0.030 1067TIP3 H238347 2.216 1.778 0.051 1068TIP3 OH238348 2.287 1.899 0.870 1068TIP3 H138349 2.306 1.939 0.956 1068TIP3 H238350 2.343 1.818 0.870 1068TIP3 OH238351 2.013 2.942 -0.239 1068TIP3 H138352 2.004 3.020 -0.297 1068TIP3 H238353 1.997 2.980 -0.151 1068TIP3 OH238354 2.920 1.695 0.958 1068TIP3 H138355 2.824 1.715 0.948 1068TIP3 H238356 2.940 1.676 0.865 1068TIP3 OH238357 2.774 2.086 0.364 1068TIP3 H138358 2.688 2.046 0.334 1068TIP3 H238359 2.815 2.010 0.410 1068TIP3 OH238360 1.725 2.694 -0.389 1068TIP3 H138361 1.799 2.746 -0.353 1068TIP3 H238362 1.772 2.645 -0.458 1068TIP3 OH238363 1.564 1.934 -0.481 1068TIP3 H138364 1.552 2.023 -0.441 1068TIP3 H238365 1.474 1.902 -0.489 1068TIP3 OH238366 2.869 2.968 0.501 1068TIP3 H138367 2.853 3.050 0.451 1068TIP3 H238368 2.961 2.981 0.526 1068TIP3 OH238369 1.519 2.765 0.028 1068TIP3 H138370 1.441 2.817 0.052 1068TIP3 H238371 1.557 2.819 -0.044 1068TIP3 OH238372 1.460 3.059 1.142 1068TIP3 H138373 1.518 3.030 1.215 1068TIP3 H238374 1.421 2.973 1.115 1068TIP3 OH238375 1.929 2.967 1.320 1068TIP3 H138376 1.997 2.901 1.343 1068TIP3 H238377 1.906 2.938 1.230 1069TIP3 OH238378 2.335 2.889 -0.523 1069TIP3 H138379 2.260 2.827 -0.539 1069TIP3 H238380 2.407 2.839 -0.566 1069TIP3 OH238381 2.577 2.791 1.179 1069TIP3 H138382 2.537 2.711 1.216 1069TIP3 H238383 2.645 2.813 1.244 1069TIP3 OH238384 2.797 2.882 -0.517 1069TIP3 H138385 2.815 2.801 -0.467 1069TIP3 H238386 2.875 2.887 -0.576 1069TIP3 OH238387 1.456 2.423 1.254 1069TIP3 H138388 1.465 2.331 1.223 1069TIP3 H238389 1.379 2.452 1.203 1069TIP3 OH238390 1.877 2.466 -0.543 1069TIP3 H138391 1.890 2.402 -0.471 1069TIP3 H238392 1.962 2.458 -0.590 1069TIP3 OH238393 2.119 2.440 1.188 1069TIP3 H138394 2.088 2.471 1.102 1069TIP3 H238395 2.125 2.343 1.174 1069TIP3 OH238396 2.398 2.596 -0.582 1069TIP3 H138397 2.398 2.591 -0.485 1069TIP3 H238398 2.396 2.501 -0.605 1069TIP3 OH238399 2.655 2.402 0.928 1069TIP3 H138400 2.733 2.456 0.907 1069TIP3 H238401 2.584 2.468 0.925 1069TIP3 OH238402 1.546 2.138 1.168 1069TIP3 H138403 1.618 2.073 1.170 1069TIP3 H238404 1.533 2.154 1.263 1069TIP3 OH238405 1.995 2.273 -0.298 1069TIP3 H138406 1.927 2.222 -0.252 1069TIP3 H238407 2.020 2.210 -0.369 1070TIP3 OH238408 1.912 2.040 0.897 1070TIP3 H138409 1.858 2.114 0.927 1070TIP3 H238410 1.978 2.084 0.841 1070TIP3 OH238411 2.086 2.084 -0.482 1070TIP3 H138412 2.078 2.075 -0.579 1070TIP3 H238413 2.182 2.075 -0.470 1070TIP3 OH238414 2.438 2.320 1.272 1070TIP3 H138415 2.527 2.299 1.240 1070TIP3 H238416 2.411 2.235 1.310 1070TIP3 OH238417 3.032 2.312 -0.569 1070TIP3 H138418 3.035 2.277 -0.659 1070TIP3 H238419 3.028 2.408 -0.586 1070TIP3 OH238420 1.967 1.778 1.026 1070TIP3 H138421 1.968 1.709 0.958 1070TIP3 H238422 1.948 1.858 0.973 1070TIP3 OH238423 1.970 1.620 0.750 1070TIP3 H138424 2.041 1.672 0.707 1070TIP3 H238425 1.892 1.663 0.713 1070TIP3 OH238426 2.154 2.169 0.815 1070TIP3 H138427 2.237 2.155 0.767 1070TIP3 H238428 2.128 2.258 0.784 1070TIP3 OH238429 2.612 1.964 1.295 1070TIP3 H138430 2.632 1.869 1.302 1070TIP3 H238431 2.701 2.002 1.287 1070TIP3 OH238432 2.711 2.242 1.143 1070TIP3 H138433 2.674 2.302 1.074 1070TIP3 H238434 2.798 2.225 1.104 1070TIP3 OH238435 1.789 1.962 1.203 1070TIP3 H138436 1.730 1.884 1.205 1070TIP3 H238437 1.869 1.925 1.163 1071TIP3 OH238438 2.075 1.363 0.818 1071TIP3 H138439 2.043 1.454 0.795 1071TIP3 H238440 2.008 1.309 0.769 1071TIP3 OH238441 2.198 1.816 1.189 1071TIP3 H138442 2.161 1.792 1.276 1071TIP3 H238443 2.121 1.796 1.133 1071TIP3 OH238444 2.458 1.724 1.080 1071TIP3 H138445 2.365 1.723 1.110 1071TIP3 H238446 2.498 1.654 1.134 1071TIP3 OH238447 2.647 1.567 1.252 1071TIP3 H138448 2.621 1.474 1.261 1071TIP3 H238449 2.617 1.608 1.335 1071TIP3 OH238450 1.639 1.705 1.178 1071TIP3 H138451 1.638 1.627 1.121 1071TIP3 H238452 1.628 1.664 1.267 1071TIP3 OH238453 2.091 1.277 1.097 1071TIP3 H138454 2.168 1.219 1.095 1071TIP3 H238455 2.077 1.295 1.002 1071TIP3 OH238456 2.149 1.490 1.276 1071TIP3 H138457 2.126 1.426 1.206 1071TIP3 H238458 2.075 1.553 1.273 1071TIP3 OH238459 2.058 3.194 -0.374 1071TIP3 H138460 2.154 3.207 -0.364 1071TIP3 H238461 2.042 3.241 -0.457 1071TIP3 OH238462 1.447 2.637 -0.425 1071TIP3 H138463 1.543 2.654 -0.408 1071TIP3 H238464 1.450 2.557 -0.481 1071TIP3 OH238465 1.347 3.157 0.052 1071TIP3 H138466 1.275 3.118 -0.002 1071TIP3 H238467 1.358 3.087 0.121 1072TIP3 OH238468 1.387 2.958 0.250 1072TIP3 H138469 1.357 2.871 0.282 1072TIP3 H238470 1.419 2.994 0.334 1072TIP3 OH238471 3.140 3.085 0.552 1072TIP3 H138472 3.158 3.082 0.648 1072TIP3 H238473 3.226 3.114 0.518 1072TIP3 OH238474 3.131 3.029 0.840 1072TIP3 H138475 3.079 2.955 0.804 1072TIP3 H238476 3.187 2.982 0.904 1072TIP3 OH238477 2.931 2.572 1.269 1072TIP3 H138478 2.842 2.579 1.308 1072TIP3 H238479 2.976 2.652 1.300 1072TIP3 OH238480 3.069 2.461 -0.159 1072TIP3 H138481 3.160 2.495 -0.145 1072TIP3 H238482 3.064 2.397 -0.085 1072TIP3 OH238483 3.116 2.257 0.039 1072TIP3 H138484 3.048 2.202 0.083 1072TIP3 H238485 3.184 2.270 0.108 1072TIP3 OH238486 3.090 2.508 0.538 1072TIP3 H138487 3.151 2.459 0.481 1072TIP3 H238488 3.103 2.600 0.507 1072TIP3 OH238489 2.961 2.800 0.761 1072TIP3 H138490 2.888 2.840 0.812 1072TIP3 H238491 2.915 2.763 0.684 1072TIP3 OH238492 3.142 2.193 -0.301 1072TIP3 H138493 3.088 2.218 -0.378 1072TIP3 H238494 3.132 2.270 -0.244 1072TIP3 OH238495 2.980 1.953 -0.477 1072TIP3 H138496 2.986 2.017 -0.550 1072TIP3 H238497 2.947 1.875 -0.524 1073TIP3 OH238498 2.912 2.068 0.121 1073TIP3 H138499 2.899 1.973 0.106 1073TIP3 H238500 2.872 2.080 0.209 1073TIP3 OH238501 1.391 2.286 0.486 1073TIP3 H138502 1.416 2.286 0.392 1073TIP3 H238503 1.477 2.265 0.529 1073TIP3 OH238504 2.971 2.265 1.035 1073TIP3 H138505 3.044 2.202 1.052 1073TIP3 H238506 3.018 2.347 1.017 1073TIP3 OH238507 3.127 2.075 1.157 1073TIP3 H138508 3.047 2.022 1.134 1073TIP3 H238509 3.196 2.006 1.154 1073TIP3 OH238510 2.913 1.684 -0.552 1073TIP3 H138511 2.963 1.631 -0.489 1073TIP3 H238512 2.830 1.635 -0.561 1073TIP3 OH238513 2.907 1.819 -0.070 1073TIP3 H138514 2.922 1.722 -0.064 1073TIP3 H238515 2.990 1.849 -0.107 1073TIP3 OH238516 2.923 1.879 0.482 1073TIP3 H138517 3.020 1.893 0.484 1073TIP3 H238518 2.903 1.887 0.577 1073TIP3 OH238519 2.938 1.950 0.763 1073TIP3 H138520 2.852 1.985 0.792 1073TIP3 H238521 2.987 2.032 0.744 1073TIP3 OH238522 1.356 1.794 1.099 1073TIP3 H138523 1.449 1.770 1.115 1073TIP3 H238524 1.309 1.720 1.138 1073TIP3 OH238525 3.196 1.368 1.295 1073TIP3 H138526 3.234 1.298 1.238 1073TIP3 H238527 3.195 1.445 1.235 1074TIP3 OH238528 2.927 1.523 -0.072 1074TIP3 H138529 2.946 1.501 0.021 1074TIP3 H238530 2.839 1.483 -0.082 1074TIP3 OH238531 1.339 1.952 0.496 1074TIP3 H138532 1.382 1.942 0.411 1074TIP3 H238533 1.380 2.030 0.532 1074TIP3 OH238534 3.129 1.570 1.118 1074TIP3 H138535 3.042 1.614 1.123 1074TIP3 H238536 3.117 1.517 1.037 1074TIP3 OH238537 3.158 1.586 -0.381 1074TIP3 H138538 3.170 1.507 -0.437 1074TIP3 H238539 3.202 1.654 -0.432 1074TIP3 OH238540 2.829 3.087 0.133 1074TIP3 H138541 2.875 3.065 0.051 1074TIP3 H238542 2.900 3.128 0.185 1074TIP3 OH238543 1.570 2.766 1.204 1074TIP3 H138544 1.497 2.757 1.141 1074TIP3 H238545 1.526 2.753 1.289 1074TIP3 OH238546 1.855 2.856 0.768 1074TIP3 H138547 1.822 2.942 0.738 1074TIP3 H238548 1.951 2.870 0.756 1074TIP3 OH238549 2.305 2.989 1.073 1074TIP3 H138550 2.319 2.972 1.167 1074TIP3 H238551 2.389 3.034 1.048 1074TIP3 OH238552 2.534 3.135 0.996 1074TIP3 H138553 2.603 3.070 0.975 1074TIP3 H238554 2.564 3.166 1.084 1074TIP3 OH238555 3.017 1.394 0.914 1074TIP3 H138556 2.935 1.414 0.865 1074TIP3 H238557 3.037 1.304 0.880 1075TIP3 OH238558 1.592 3.154 0.804 1075TIP3 H138559 1.532 3.217 0.761 1075TIP3 H238560 1.559 3.158 0.895 1075TIP3 OH238561 1.840 3.130 0.657 1075TIP3 H138562 1.756 3.149 0.702 1075TIP3 H238563 1.845 3.202 0.591 1075TIP3 OH238564 2.314 3.131 0.616 1075TIP3 H138565 2.279 3.179 0.538 1075TIP3 H238566 2.325 3.205 0.680 1075TIP3 OH238567 2.549 3.003 0.706 1075TIP3 H138568 2.464 3.039 0.675 1075TIP3 H238569 2.605 3.082 0.707 1075TIP3 OH238570 2.802 3.176 0.727 1075TIP3 H138571 2.798 3.271 0.705 1075TIP3 H238572 2.830 3.139 0.641 1075TIP3 OH238573 1.550 3.034 0.500 1075TIP3 H138574 1.547 2.985 0.585 1075TIP3 H238575 1.626 2.991 0.457 1075TIP3 OH238576 1.756 2.903 0.336 1075TIP3 H138577 1.738 2.812 0.371 1075TIP3 H238578 1.841 2.925 0.378 1075TIP3 OH238579 2.023 2.944 0.437 1075TIP3 H138580 2.066 2.860 0.425 1075TIP3 H238581 2.035 2.957 0.533 1075TIP3 OH238582 2.854 1.347 0.409 1075TIP3 H138583 2.923 1.392 0.357 1075TIP3 H238584 2.773 1.362 0.355 1075TIP3 OH238585 3.056 1.462 0.178 1075TIP3 H138586 3.131 1.413 0.141 1075TIP3 H238587 3.092 1.549 0.200 1076TIP3 OH238588 2.625 1.354 0.251 1076TIP3 H138589 2.597 1.382 0.163 1076TIP3 H238590 2.573 1.274 0.262 1076TIP3 OH238591 1.495 2.960 -0.178 1076TIP3 H138592 1.431 2.948 -0.250 1076TIP3 H238593 1.493 3.056 -0.169 1076TIP3 OH238594 2.132 1.557 -0.200 1076TIP3 H138595 2.176 1.503 -0.134 1076TIP3 H238596 2.137 1.646 -0.162 1076TIP3 OH238597 2.361 3.142 -0.364 1076TIP3 H138598 2.458 3.146 -0.370 1076TIP3 H238599 2.342 3.078 -0.434 1076TIP3 OH238600 3.009 3.047 -0.107 1076TIP3 H138601 2.989 2.962 -0.151 1076TIP3 H238602 3.013 3.107 -0.183 1076TIP3 OH238603 1.576 1.418 1.060 1076TIP3 H138604 1.528 1.372 1.130 1076TIP3 H238605 1.667 1.415 1.093 1076TIP3 OH238606 1.826 1.374 1.235 1076TIP3 H138607 1.902 1.322 1.204 1076TIP3 H238608 1.780 1.309 1.293 1076TIP3 OH238609 1.639 3.057 -0.498 1076TIP3 H138610 1.615 3.083 -0.408 1076TIP3 H238611 1.714 2.998 -0.485 1076TIP3 OH238612 2.625 1.289 1.260 1076TIP3 H138613 2.634 1.252 1.350 1076TIP3 H238614 2.718 1.288 1.230 1076TIP3 OH238615 2.963 2.923 1.131 1076TIP3 H138616 2.889 2.903 1.070 1076TIP3 H238617 2.944 3.017 1.151 1077TIP3 OH238618 4.211 2.201 0.458 1077TIP3 H138619 4.291 2.227 0.509 1077TIP3 H238620 4.245 2.196 0.368 1077TIP3 OH238621 3.515 2.192 0.618 1077TIP3 H138622 3.513 2.118 0.681 1077TIP3 H238623 3.586 2.247 0.655 1077TIP3 OH238624 3.581 2.657 0.468 1077TIP3 H138625 3.557 2.565 0.443 1077TIP3 H238626 3.674 2.644 0.491 1077TIP3 OH238627 3.281 2.000 -0.007 1077TIP3 H138628 3.241 2.085 0.015 1077TIP3 H238629 3.203 1.944 -0.018 1077TIP3 OH238630 3.360 2.241 0.190 1077TIP3 H138631 3.376 2.160 0.243 1077TIP3 H238632 3.446 2.255 0.149 1077TIP3 OH238633 4.120 2.486 0.518 1077TIP3 H138634 4.145 2.411 0.462 1077TIP3 H238635 4.204 2.507 0.561 1077TIP3 OH238636 3.742 1.721 0.267 1077TIP3 H138637 3.759 1.806 0.223 1077TIP3 H238638 3.710 1.668 0.192 1077TIP3 OH238639 3.413 1.994 0.317 1077TIP3 H138640 3.474 1.947 0.377 1077TIP3 H238641 3.422 1.943 0.235 1077TIP3 OH238642 3.952 2.129 0.264 1077TIP3 H138643 4.027 2.077 0.300 1077TIP3 H238644 3.902 2.059 0.218 1077TIP3 OH238645 3.624 1.598 0.682 1077TIP3 H138646 3.584 1.649 0.610 1077TIP3 H238647 3.558 1.612 0.753 1078TIP3 OH238648 3.915 2.381 0.697 1078TIP3 H138649 3.843 2.442 0.722 1078TIP3 H238650 3.980 2.442 0.658 1078TIP3 OH238651 3.583 1.804 0.477 1078TIP3 H138652 3.648 1.861 0.523 1078TIP3 H238653 3.641 1.766 0.407 1078TIP3 OH238654 3.715 2.573 0.768 1078TIP3 H138655 3.713 2.665 0.736 1078TIP3 H238656 3.628 2.569 0.812 1078TIP3 OH238657 3.345 2.544 -0.144 1078TIP3 H138658 3.329 2.594 -0.226 1078TIP3 H238659 3.364 2.615 -0.079 1078TIP3 OH238660 4.044 1.346 0.397 1078TIP3 H138661 4.017 1.252 0.394 1078TIP3 H238662 3.963 1.388 0.434 1078TIP3 OH238663 4.273 2.228 -0.139 1078TIP3 H138664 4.202 2.295 -0.148 1078TIP3 H238665 4.329 2.253 -0.213 1078TIP3 OH238666 4.289 2.075 -0.422 1078TIP3 H138667 4.366 2.069 -0.364 1078TIP3 H238668 4.296 1.996 -0.476 1078TIP3 OH238669 3.757 2.317 0.157 1078TIP3 H138670 3.730 2.274 0.074 1078TIP3 H238671 3.824 2.254 0.191 1078TIP3 OH238672 3.897 2.657 0.432 1078TIP3 H138673 3.888 2.618 0.343 1078TIP3 H238674 3.977 2.612 0.465 1078TIP3 OH238675 3.815 2.201 0.503 1078TIP3 H138676 3.876 2.199 0.427 1078TIP3 H238677 3.858 2.266 0.562 1079TIP3 OH238678 3.904 2.635 0.987 1079TIP3 H138679 3.851 2.701 1.036 1079TIP3 H238680 3.840 2.608 0.918 1079TIP3 OH238681 3.595 2.270 0.900 1079TIP3 H138682 3.600 2.329 0.978 1079TIP3 H238683 3.498 2.258 0.892 1079TIP3 OH238684 4.249 2.842 0.076 1079TIP3 H138685 4.299 2.893 0.142 1079TIP3 H238686 4.200 2.912 0.030 1079TIP3 OH238687 3.711 2.852 1.070 1079TIP3 H138688 3.700 2.855 0.974 1079TIP3 H238689 3.623 2.823 1.101 1079TIP3 OH238690 3.654 2.191 -0.101 1079TIP3 H138691 3.632 2.273 -0.150 1079TIP3 H238692 3.573 2.140 -0.111 1079TIP3 OH238693 3.257 2.461 0.781 1079TIP3 H138694 3.211 2.460 0.695 1079TIP3 H238695 3.269 2.365 0.798 1079TIP3 OH238696 3.261 2.754 0.474 1079TIP3 H138697 3.354 2.725 0.479 1079TIP3 H238698 3.257 2.814 0.550 1079TIP3 OH238699 4.173 2.735 0.938 1079TIP3 H138700 4.180 2.824 0.975 1079TIP3 H238701 4.082 2.709 0.959 1079TIP3 OH238702 4.186 3.118 -0.072 1079TIP3 H138703 4.203 3.122 -0.167 1079TIP3 H238704 4.207 3.207 -0.041 1079TIP3 OH238705 3.574 3.033 0.091 1079TIP3 H138706 3.588 2.988 0.176 1079TIP3 H238707 3.491 2.993 0.061 1080TIP3 OH238708 3.474 2.616 0.907 1080TIP3 H138709 3.502 2.568 0.987 1080TIP3 H238710 3.401 2.561 0.872 1080TIP3 OH238711 3.797 1.462 0.481 1080TIP3 H138712 3.715 1.454 0.430 1080TIP3 H238713 3.773 1.536 0.540 1080TIP3 OH238714 4.233 1.398 0.909 1080TIP3 H138715 4.245 1.325 0.971 1080TIP3 H238716 4.142 1.380 0.877 1080TIP3 OH238717 4.232 1.679 -0.415 1080TIP3 H138718 4.168 1.658 -0.346 1080TIP3 H238719 4.206 1.615 -0.484 1080TIP3 OH238720 3.779 1.942 0.623 1080TIP3 H138721 3.719 1.954 0.699 1080TIP3 H238722 3.787 2.034 0.587 1080TIP3 OH238723 3.774 1.950 0.112 1080TIP3 H138724 3.678 1.939 0.095 1080TIP3 H238725 3.810 1.931 0.023 1080TIP3 OH238726 4.277 2.002 0.061 1080TIP3 H138727 4.263 2.095 0.038 1080TIP3 H238728 4.370 2.000 0.085 1080TIP3 OH238729 4.252 2.032 1.145 1080TIP3 H138730 4.195 1.952 1.158 1080TIP3 H238731 4.338 1.987 1.143 1080TIP3 OH238732 3.517 1.959 0.807 1080TIP3 H138733 3.542 1.989 0.895 1080TIP3 H238734 3.481 1.870 0.826 1080TIP3 OH238735 3.865 1.724 -0.535 1080TIP3 H138736 3.822 1.681 -0.458 1080TIP3 H238737 3.790 1.738 -0.595 1081TIP3 OH238738 3.211 1.720 0.167 1081TIP3 H138739 3.262 1.700 0.248 1081TIP3 H238740 3.251 1.665 0.098 1081TIP3 OH238741 4.350 2.084 0.749 1081TIP3 H138742 4.378 2.019 0.682 1081TIP3 H238743 4.272 2.040 0.785 1081TIP3 OH238744 4.048 1.689 0.215 1081TIP3 H138745 3.955 1.696 0.240 1081TIP3 H238746 4.090 1.708 0.300 1081TIP3 OH238747 3.513 1.837 0.073 1081TIP3 H138748 3.420 1.849 0.045 1081TIP3 H238749 3.535 1.747 0.040 1081TIP3 OH238750 3.874 1.862 -0.152 1081TIP3 H138751 3.970 1.870 -0.141 1081TIP3 H238752 3.855 1.926 -0.222 1081TIP3 OH238753 3.682 1.970 -0.389 1081TIP3 H138754 3.669 1.963 -0.486 1081TIP3 H238755 3.774 2.002 -0.393 1081TIP3 OH238756 3.582 2.462 1.124 1081TIP3 H138757 3.650 2.470 1.194 1081TIP3 H238758 3.502 2.460 1.179 1081TIP3 OH238759 4.138 1.923 0.358 1081TIP3 H138760 4.217 1.892 0.312 1081TIP3 H238761 4.163 1.911 0.451 1081TIP3 OH238762 3.679 1.603 0.011 1081TIP3 H138763 3.626 1.523 0.030 1081TIP3 H238764 3.762 1.565 -0.019 1081TIP3 OH238765 4.049 1.797 0.626 1081TIP3 H138766 3.980 1.863 0.611 1081TIP3 H238767 4.100 1.837 0.699 1082TIP3 OH238768 4.075 2.428 -0.184 1082TIP3 H138769 3.994 2.388 -0.222 1082TIP3 H238770 4.049 2.443 -0.090 1082TIP3 OH238771 4.207 2.433 0.938 1082TIP3 H138772 4.183 2.423 1.031 1082TIP3 H238773 4.213 2.529 0.927 1082TIP3 OH238774 3.577 2.385 0.392 1082TIP3 H138775 3.636 2.376 0.315 1082TIP3 H238776 3.591 2.300 0.437 1082TIP3 OH238777 4.287 2.575 -0.289 1082TIP3 H138778 4.260 2.664 -0.260 1082TIP3 H238779 4.211 2.522 -0.256 1082TIP3 OH238780 3.305 2.214 0.919 1082TIP3 H138781 3.320 2.169 1.005 1082TIP3 H238782 3.243 2.154 0.874 1082TIP3 OH238783 4.002 2.164 1.122 1082TIP3 H138784 3.966 2.134 1.036 1082TIP3 H238785 4.096 2.139 1.112 1082TIP3 OH238786 3.815 2.715 0.119 1082TIP3 H138787 3.858 2.801 0.107 1082TIP3 H238788 3.724 2.735 0.095 1082TIP3 OH238789 3.414 2.152 -0.395 1082TIP3 H138790 3.476 2.228 -0.392 1082TIP3 H238791 3.328 2.199 -0.394 1082TIP3 OH238792 3.994 2.482 0.078 1082TIP3 H138793 3.970 2.575 0.095 1082TIP3 H238794 3.923 2.436 0.123 1082TIP3 OH238795 4.020 2.914 0.720 1082TIP3 H138796 4.077 2.985 0.686 1082TIP3 H238797 4.084 2.861 0.770 1083TIP3 OH238798 3.860 3.004 0.042 1083TIP3 H138799 3.764 3.022 0.049 1083TIP3 H238800 3.897 3.092 0.064 1083TIP3 OH238801 3.435 1.679 0.882 1083TIP3 H138802 3.345 1.705 0.855 1083TIP3 H238803 3.420 1.591 0.921 1083TIP3 OH238804 3.412 2.854 0.721 1083TIP3 H138805 3.441 2.763 0.737 1083TIP3 H238806 3.435 2.895 0.805 1083TIP3 OH238807 3.995 2.724 -0.577 1083TIP3 H138808 4.029 2.647 -0.627 1083TIP3 H238809 3.956 2.680 -0.499 1083TIP3 OH238810 3.888 2.667 -0.301 1083TIP3 H138811 3.935 2.620 -0.232 1083TIP3 H238812 3.898 2.760 -0.274 1083TIP3 OH238813 3.565 2.409 -0.266 1083TIP3 H138814 3.490 2.450 -0.220 1083TIP3 H238815 3.611 2.488 -0.301 1083TIP3 OH238816 4.337 1.706 0.791 1083TIP3 H138817 4.387 1.628 0.813 1083TIP3 H238818 4.275 1.671 0.725 1083TIP3 OH238819 4.168 2.832 -0.251 1083TIP3 H138820 4.089 2.883 -0.228 1083TIP3 H238821 4.211 2.891 -0.315 1083TIP3 OH238822 4.138 1.797 -0.043 1083TIP3 H138823 4.200 1.867 -0.015 1083TIP3 H238824 4.102 1.774 0.045 1083TIP3 OH238825 4.163 1.892 0.876 1083TIP3 H138826 4.185 1.945 0.954 1083TIP3 H238827 4.234 1.826 0.873 1084TIP3 OH238828 4.194 1.503 0.075 1084TIP3 H138829 4.165 1.581 0.127 1084TIP3 H238830 4.271 1.538 0.026 1084TIP3 OH238831 3.894 2.939 -0.244 1084TIP3 H138832 3.891 3.020 -0.300 1084TIP3 H238833 3.882 2.976 -0.155 1084TIP3 OH238834 3.768 1.611 -0.298 1084TIP3 H138835 3.781 1.686 -0.237 1084TIP3 H238836 3.845 1.555 -0.277 1084TIP3 OH238837 3.610 2.694 -0.388 1084TIP3 H138838 3.682 2.747 -0.350 1084TIP3 H238839 3.660 2.647 -0.457 1084TIP3 OH238840 3.514 1.418 0.400 1084TIP3 H138841 3.497 1.413 0.304 1084TIP3 H238842 3.483 1.331 0.431 1084TIP3 OH238843 3.405 2.767 0.029 1084TIP3 H138844 3.327 2.820 0.052 1084TIP3 H238845 3.443 2.819 -0.043 1084TIP3 OH238846 3.346 3.059 1.142 1084TIP3 H138847 3.403 3.030 1.216 1084TIP3 H238848 3.307 2.974 1.114 1084TIP3 OH238849 3.815 2.965 1.321 1084TIP3 H138850 3.882 2.898 1.342 1084TIP3 H238851 3.790 2.939 1.231 1084TIP3 OH238852 4.231 2.888 -0.547 1084TIP3 H138853 4.147 2.838 -0.545 1084TIP3 H238854 4.293 2.814 -0.560 1084TIP3 OH238855 3.341 2.422 1.255 1084TIP3 H138856 3.350 2.331 1.221 1084TIP3 H238857 3.264 2.452 1.204 1085TIP3 OH238858 3.762 2.466 -0.543 1085TIP3 H138859 3.781 2.405 -0.469 1085TIP3 H238860 3.846 2.462 -0.591 1085TIP3 OH238861 4.008 2.443 1.187 1085TIP3 H138862 3.978 2.475 1.100 1085TIP3 H238863 4.015 2.346 1.173 1085TIP3 OH238864 4.262 2.596 -0.589 1085TIP3 H138865 4.277 2.607 -0.493 1085TIP3 H238866 4.243 2.501 -0.595 1085TIP3 OH238867 3.428 2.136 1.172 1085TIP3 H138868 3.500 2.071 1.173 1085TIP3 H238869 3.422 2.157 1.266 1085TIP3 OH238870 3.868 2.272 -0.314 1085TIP3 H138871 3.812 2.221 -0.253 1085TIP3 H238872 3.905 2.203 -0.373 1085TIP3 OH238873 3.796 2.052 0.919 1085TIP3 H138874 3.739 2.130 0.934 1085TIP3 H238875 3.852 2.084 0.846 1085TIP3 OH238876 3.977 2.074 -0.477 1085TIP3 H138877 3.967 2.076 -0.574 1085TIP3 H238878 4.074 2.083 -0.469 1085TIP3 OH238879 4.284 2.299 1.287 1085TIP3 H138880 4.354 2.267 1.229 1085TIP3 H238881 4.267 2.217 1.338 1085TIP3 OH238882 3.856 1.780 1.032 1085TIP3 H138883 3.862 1.714 0.960 1085TIP3 H238884 3.839 1.861 0.981 1085TIP3 OH238885 3.886 1.624 0.774 1085TIP3 H138886 3.937 1.681 0.712 1085TIP3 H238887 3.795 1.628 0.738 1086TIP3 OH238888 4.066 2.163 0.805 1086TIP3 H138889 4.135 2.163 0.738 1086TIP3 H238890 4.029 2.252 0.793 1086TIP3 OH238891 3.676 1.960 1.212 1086TIP3 H138892 3.621 1.880 1.208 1086TIP3 H238893 3.754 1.932 1.162 1086TIP3 OH238894 3.970 1.362 0.812 1086TIP3 H138895 3.947 1.456 0.793 1086TIP3 H238896 3.906 1.315 0.755 1086TIP3 OH238897 4.102 1.807 1.185 1086TIP3 H138898 4.064 1.782 1.270 1086TIP3 H238899 4.029 1.785 1.125 1086TIP3 OH238900 3.541 1.708 1.192 1086TIP3 H138901 3.531 1.638 1.125 1086TIP3 H238902 3.516 1.661 1.274 1086TIP3 OH238903 3.945 1.307 1.093 1086TIP3 H138904 4.006 1.233 1.095 1086TIP3 H238905 3.940 1.324 0.997 1086TIP3 OH238906 4.034 1.487 1.289 1086TIP3 H138907 4.009 1.433 1.211 1086TIP3 H238908 3.973 1.562 1.283 1086TIP3 OH238909 3.957 3.191 -0.373 1086TIP3 H138910 4.053 3.205 -0.368 1086TIP3 H238911 3.935 3.244 -0.451 1086TIP3 OH238912 3.334 2.636 -0.418 1086TIP3 H138913 3.430 2.657 -0.408 1086TIP3 H238914 3.336 2.559 -0.479 1086TIP3 OH238915 3.232 3.156 0.053 1086TIP3 H138916 3.161 3.118 -0.002 1086TIP3 H238917 3.243 3.087 0.121 1087TIP3 OH238918 3.272 2.958 0.251 1087TIP3 H138919 3.243 2.871 0.283 1087TIP3 H238920 3.307 2.994 0.334 1087TIP3 OH238921 3.280 2.292 0.491 1087TIP3 H138922 3.306 2.299 0.398 1087TIP3 H238923 3.367 2.271 0.532 1087TIP3 OH238924 3.273 1.829 1.134 1087TIP3 H138925 3.366 1.800 1.134 1087TIP3 H238926 3.227 1.743 1.138 1087TIP3 OH238927 3.349 1.660 0.409 1087TIP3 H138928 3.394 1.574 0.421 1087TIP3 H238929 3.414 1.721 0.448 1087TIP3 OH238930 3.205 1.928 0.518 1087TIP3 H138931 3.260 1.926 0.438 1087TIP3 H238932 3.240 2.007 0.563 1087TIP3 OH238933 3.245 1.592 -0.090 1087TIP3 H138934 3.151 1.570 -0.096 1087TIP3 H238935 3.261 1.627 -0.179 1087TIP3 OH238936 3.257 1.452 0.738 1087TIP3 H138937 3.185 1.424 0.797 1087TIP3 H238938 3.207 1.503 0.672 1087TIP3 OH238939 3.456 2.761 1.205 1087TIP3 H138940 3.384 2.757 1.140 1087TIP3 H238941 3.408 2.756 1.289 1087TIP3 OH238942 3.740 2.860 0.772 1087TIP3 H138943 3.710 2.945 0.736 1087TIP3 H238944 3.836 2.868 0.755 1087TIP3 OH238945 4.219 3.022 1.061 1087TIP3 H138946 4.205 2.985 1.150 1087TIP3 H238947 4.314 3.044 1.067 1088TIP3 OH238948 3.477 3.154 0.805 1088TIP3 H138949 3.418 3.217 0.760 1088TIP3 H238950 3.442 3.158 0.895 1088TIP3 OH238951 3.729 3.132 0.662 1088TIP3 H138952 3.644 3.152 0.706 1088TIP3 H238953 3.733 3.201 0.593 1088TIP3 OH238954 4.196 3.109 0.618 1088TIP3 H138955 4.179 3.156 0.535 1088TIP3 H238956 4.258 3.168 0.662 1088TIP3 OH238957 3.434 3.033 0.499 1088TIP3 H138958 3.434 2.984 0.585 1088TIP3 H238959 3.511 2.990 0.455 1088TIP3 OH238960 3.636 2.910 0.344 1088TIP3 H138961 3.622 2.816 0.370 1088TIP3 H238962 3.728 2.925 0.374 1088TIP3 OH238963 3.912 2.957 0.432 1088TIP3 H138964 3.934 2.866 0.409 1088TIP3 H238965 3.921 2.955 0.529 1088TIP3 OH238966 4.265 1.513 0.364 1088TIP3 H138967 4.182 1.465 0.378 1088TIP3 H238968 4.297 1.472 0.283 1088TIP3 OH238969 3.481 1.412 0.113 1088TIP3 H138970 3.394 1.394 0.073 1088TIP3 H238971 3.523 1.324 0.104 1088TIP3 OH238972 3.358 1.360 -0.290 1088TIP3 H138973 3.407 1.424 -0.345 1088TIP3 H238974 3.311 1.417 -0.228 1088TIP3 OH238975 3.929 1.404 0.107 1088TIP3 H138976 4.023 1.427 0.096 1088TIP3 H238977 3.927 1.387 0.202 1089TIP3 OH238978 3.379 2.961 -0.175 1089TIP3 H138979 3.318 2.948 -0.250 1089TIP3 H238980 3.380 3.057 -0.171 1089TIP3 OH238981 3.529 1.559 -0.433 1089TIP3 H138982 3.573 1.499 -0.496 1089TIP3 H238983 3.605 1.578 -0.374 1089TIP3 OH238984 4.067 1.568 -0.194 1089TIP3 H138985 4.067 1.503 -0.122 1089TIP3 H238986 4.062 1.652 -0.145 1089TIP3 OH238987 4.266 3.121 -0.366 1089TIP3 H138988 4.352 3.161 -0.387 1089TIP3 H238989 4.247 3.068 -0.445 1089TIP3 OH238990 3.460 1.440 1.073 1089TIP3 H138991 3.420 1.358 1.106 1089TIP3 H238992 3.553 1.426 1.096 1089TIP3 OH238993 3.701 1.378 1.247 1089TIP3 H138994 3.783 1.344 1.206 1089TIP3 H238995 3.663 1.297 1.285 1089TIP3 OH238996 3.520 3.051 -0.498 1089TIP3 H138997 3.501 3.087 -0.410 1089TIP3 H238998 3.601 2.999 -0.484 1089TIP3 OH238999 -3.158 4.203 0.124 1089TIP3 H139000 -3.188 4.295 0.128 1089TIP3 H239001 -3.233 4.161 0.080 1089TIP3 OH239002 -3.278 4.132 0.453 1089TIP3 H139003 -3.275 4.080 0.535 1089TIP3 H239004 -3.304 4.067 0.387 1089TIP3 OH239005 -4.021 4.074 0.610 1089TIP3 H139006 -4.033 4.006 0.678 1089TIP3 H239007 -3.966 4.138 0.658 1090TIP3 OH239008 -4.177 3.970 -0.076 1090TIP3 H139009 -4.226 4.033 -0.019 1090TIP3 H239010 -4.219 3.888 -0.049 1090TIP3 OH239011 -4.198 4.127 0.174 1090TIP3 H139012 -4.197 4.055 0.239 1090TIP3 H239013 -4.103 4.139 0.161 1090TIP3 OH239014 -2.553 3.522 0.569 1090TIP3 H139015 -2.536 3.582 0.643 1090TIP3 H239016 -2.495 3.559 0.501 1090TIP3 OH239017 -3.095 3.803 0.560 1090TIP3 H139018 -3.082 3.707 0.563 1090TIP3 H239019 -3.105 3.818 0.465 1090TIP3 OH239020 -3.798 3.605 0.266 1090TIP3 H139021 -3.786 3.691 0.221 1090TIP3 H239022 -3.834 3.552 0.192 1090TIP3 OH239023 -3.014 3.622 0.098 1090TIP3 H139024 -2.955 3.580 0.164 1090TIP3 H239025 -2.949 3.668 0.043 1090TIP3 OH239026 -4.142 3.880 0.319 1090TIP3 H139027 -4.081 3.841 0.383 1090TIP3 H239028 -4.123 3.827 0.240 1090TIP3 OH239029 -3.589 4.018 0.264 1090TIP3 H139030 -3.522 3.959 0.305 1090TIP3 H239031 -3.645 3.953 0.217 1090TIP3 OH239032 -2.489 3.657 0.819 1090TIP3 H139033 -2.545 3.732 0.790 1090TIP3 H239034 -2.501 3.662 0.915 1090TIP3 OH239035 -3.919 3.487 0.684 1090TIP3 H139036 -3.963 3.532 0.610 1090TIP3 H239037 -3.982 3.505 0.756 1091TIP3 OH239038 -3.647 4.267 0.663 1091TIP3 H139039 -3.727 4.321 0.665 1091TIP3 H239040 -3.581 4.336 0.651 1091TIP3 OH239041 -2.829 3.545 0.302 1091TIP3 H139042 -2.872 3.488 0.367 1091TIP3 H239043 -2.780 3.607 0.359 1091TIP3 OH239044 -3.957 3.690 0.475 1091TIP3 H139045 -3.894 3.750 0.520 1091TIP3 H239046 -3.899 3.654 0.404 1091TIP3 OH239047 -2.816 3.461 0.685 1091TIP3 H139048 -2.894 3.501 0.642 1091TIP3 H239049 -2.745 3.480 0.621 1091TIP3 OH239050 -3.505 3.233 0.392 1091TIP3 H139051 -3.529 3.139 0.386 1091TIP3 H239052 -3.588 3.272 0.428 1091TIP3 OH239053 -3.308 4.143 -0.134 1091TIP3 H139054 -3.373 4.178 -0.197 1091TIP3 H239055 -3.231 4.134 -0.193 1091TIP3 OH239056 -3.266 3.941 -0.415 1091TIP3 H139057 -3.194 3.979 -0.363 1091TIP3 H239058 -3.217 3.892 -0.483 1091TIP3 OH239059 -2.551 4.056 0.695 1091TIP3 H139060 -2.620 4.125 0.706 1091TIP3 H239061 -2.501 4.094 0.619 1091TIP3 OH239062 -2.935 4.140 -0.034 1091TIP3 H139063 -3.001 4.163 0.035 1091TIP3 H239064 -2.870 4.089 0.018 1091TIP3 OH239065 -2.964 3.979 0.859 1091TIP3 H139066 -2.958 4.055 0.919 1091TIP3 H239067 -3.017 4.020 0.788 1092TIP3 OH239068 -3.770 4.217 0.156 1092TIP3 H139069 -3.800 4.183 0.070 1092TIP3 H239070 -3.702 4.152 0.181 1092TIP3 OH239071 -3.730 4.074 0.497 1092TIP3 H139072 -3.669 4.077 0.420 1092TIP3 H239073 -3.695 4.145 0.555 1092TIP3 OH239074 -3.055 4.074 -0.269 1092TIP3 H139075 -2.998 4.101 -0.194 1092TIP3 H239076 -3.009 4.119 -0.345 1092TIP3 OH239077 -3.958 4.142 0.898 1092TIP3 H139078 -3.949 4.201 0.977 1092TIP3 H239079 -4.046 4.170 0.868 1092TIP3 OH239080 -2.705 3.246 -0.327 1092TIP3 H139081 -2.792 3.256 -0.285 1092TIP3 H239082 -2.670 3.336 -0.322 1092TIP3 OH239083 -3.894 4.084 -0.092 1092TIP3 H139084 -3.914 4.163 -0.147 1092TIP3 H239085 -3.972 4.029 -0.109 1092TIP3 OH239086 -4.201 4.276 0.779 1092TIP3 H139087 -4.252 4.313 0.706 1092TIP3 H239088 -4.268 4.244 0.841 1092TIP3 OH239089 -2.771 3.834 1.096 1092TIP3 H139090 -2.813 3.878 1.020 1092TIP3 H239091 -2.761 3.743 1.063 1092TIP3 OH239092 -3.748 3.348 0.482 1092TIP3 H139093 -3.831 3.339 0.431 1092TIP3 H239094 -3.771 3.422 0.540 1092TIP3 OH239095 -3.311 3.306 0.848 1092TIP3 H139096 -3.259 3.252 0.911 1092TIP3 H239097 -3.401 3.272 0.859 1093TIP3 OH239098 -2.994 3.685 0.898 1093TIP3 H139099 -3.055 3.671 0.972 1093TIP3 H239100 -3.000 3.781 0.881 1093TIP3 OH239101 -2.915 4.175 -0.475 1093TIP3 H139102 -2.921 4.159 -0.571 1093TIP3 H239103 -2.827 4.215 -0.468 1093TIP3 OH239104 -3.329 3.556 -0.426 1093TIP3 H139105 -3.380 3.545 -0.345 1093TIP3 H239106 -3.371 3.490 -0.483 1093TIP3 OH239107 -3.759 3.827 0.626 1093TIP3 H139108 -3.825 3.839 0.697 1093TIP3 H239109 -3.755 3.917 0.587 1093TIP3 OH239110 -3.769 3.833 0.111 1093TIP3 H139111 -3.865 3.831 0.093 1093TIP3 H239112 -3.735 3.818 0.021 1093TIP3 OH239113 -3.207 3.898 -0.009 1093TIP3 H139114 -3.253 3.975 -0.048 1093TIP3 H239115 -3.140 3.879 -0.077 1093TIP3 OH239116 -3.284 3.918 1.134 1093TIP3 H139117 -3.337 3.842 1.165 1093TIP3 H239118 -3.197 3.901 1.172 1093TIP3 OH239119 -3.123 3.830 0.266 1093TIP3 H139120 -3.151 3.886 0.190 1093TIP3 H239121 -3.099 3.749 0.218 1093TIP3 OH239122 -4.023 3.842 0.806 1093TIP3 H139123 -3.999 3.885 0.889 1093TIP3 H239124 -4.052 3.754 0.836 1093TIP3 OH239125 -3.686 3.600 -0.534 1093TIP3 H139126 -3.725 3.564 -0.452 1093TIP3 H239127 -3.764 3.619 -0.588 1094TIP3 OH239128 -4.318 3.602 0.174 1094TIP3 H139129 -4.305 3.575 0.267 1094TIP3 H239130 -4.282 3.528 0.125 1094TIP3 OH239131 -4.213 3.660 -0.239 1094TIP3 H139132 -4.152 3.677 -0.312 1094TIP3 H239133 -4.298 3.685 -0.280 1094TIP3 OH239134 -3.226 3.996 0.708 1094TIP3 H139135 -3.170 3.931 0.661 1094TIP3 H239136 -3.250 3.947 0.788 1094TIP3 OH239137 -3.490 3.593 0.215 1094TIP3 H139138 -3.585 3.591 0.237 1094TIP3 H239139 -3.450 3.576 0.302 1094TIP3 OH239140 -4.038 3.718 0.079 1094TIP3 H139141 -4.120 3.726 0.030 1094TIP3 H239142 -4.001 3.635 0.042 1094TIP3 OH239143 -3.671 3.747 -0.152 1094TIP3 H139144 -3.574 3.760 -0.147 1094TIP3 H239145 -3.698 3.810 -0.222 1094TIP3 OH239146 -3.051 3.507 0.516 1094TIP3 H139147 -3.115 3.508 0.590 1094TIP3 H239148 -3.109 3.473 0.445 1094TIP3 OH239149 -3.825 3.875 -0.374 1094TIP3 H139150 -3.883 3.845 -0.445 1094TIP3 H239151 -3.743 3.896 -0.422 1094TIP3 OH239152 -3.956 4.305 1.113 1094TIP3 H139153 -3.889 4.356 1.163 1094TIP3 H239154 -4.035 4.322 1.168 1094TIP3 OH239155 -3.391 3.848 0.396 1094TIP3 H139156 -3.314 3.808 0.352 1094TIP3 H239157 -3.404 3.789 0.472 1095TIP3 OH239158 -3.873 3.484 0.022 1095TIP3 H139159 -3.917 3.398 0.025 1095TIP3 H239160 -3.792 3.463 -0.028 1095TIP3 OH239161 -3.492 3.694 0.621 1095TIP3 H139162 -3.570 3.753 0.621 1095TIP3 H239163 -3.443 3.721 0.701 1095TIP3 OH239164 -3.524 4.366 -0.162 1095TIP3 H139165 -3.560 4.300 -0.225 1095TIP3 H239166 -3.467 4.315 -0.104 1095TIP3 OH239167 -2.727 4.265 0.676 1095TIP3 H139168 -2.706 4.313 0.594 1095TIP3 H239169 -2.823 4.255 0.663 1095TIP3 OH239170 -3.061 3.616 -0.413 1095TIP3 H139171 -3.160 3.614 -0.417 1095TIP3 H239172 -3.043 3.689 -0.350 1095TIP3 OH239173 -2.994 3.798 -0.204 1095TIP3 H139174 -2.905 3.782 -0.167 1095TIP3 H239175 -2.984 3.885 -0.246 1095TIP3 OH239176 -3.971 4.217 0.345 1095TIP3 H139177 -3.885 4.233 0.302 1095TIP3 H239178 -3.947 4.165 0.423 1095TIP3 OH239179 -4.289 4.107 0.971 1095TIP3 H139180 -4.234 4.048 1.026 1095TIP3 H239181 -4.299 4.056 0.888 1095TIP3 OH239182 -3.542 4.046 1.122 1095TIP3 H139183 -3.577 4.028 1.033 1095TIP3 H239184 -3.447 4.030 1.108 1095TIP3 OH239185 -2.535 3.798 -0.232 1095TIP3 H139186 -2.590 3.779 -0.311 1095TIP3 H239187 -2.523 3.894 -0.247 1096TIP3 OH239188 -2.989 4.179 0.547 1096TIP3 H139189 -3.080 4.183 0.512 1096TIP3 H239190 -2.941 4.136 0.475 1096TIP3 OH239191 -4.174 4.096 -0.412 1096TIP3 H139192 -4.095 4.134 -0.372 1096TIP3 H239193 -4.238 4.167 -0.393 1096TIP3 OH239194 -4.102 3.575 0.889 1096TIP3 H139195 -4.187 3.609 0.854 1096TIP3 H239196 -4.125 3.486 0.923 1096TIP3 OH239197 -3.958 -4.392 -0.247 1096TIP3 H139198 -4.051 -4.360 -0.242 1096TIP3 H239199 -3.912 -4.309 -0.269 1096TIP3 OH239200 -3.210 3.549 0.736 1096TIP3 H139201 -3.148 3.576 0.805 1096TIP3 H239202 -3.259 3.476 0.778 1096TIP3 OH239203 -3.145 3.492 -0.138 1096TIP3 H139204 -3.130 3.545 -0.218 1096TIP3 H239205 -3.101 3.544 -0.069 1096TIP3 OH239206 -3.403 3.691 -0.043 1096TIP3 H139207 -3.328 3.752 -0.028 1096TIP3 H239208 -3.434 3.676 0.048 1096TIP3 OH239209 -3.369 3.789 0.875 1096TIP3 H139210 -3.359 3.841 0.956 1096TIP3 H239211 -3.315 3.711 0.895 1096TIP3 OH239212 -3.346 3.393 0.052 1096TIP3 H139213 -3.367 3.464 0.116 1096TIP3 H239214 -3.273 3.435 0.000 1096TIP3 OH239215 -3.774 3.494 -0.290 1096TIP3 H139216 -3.765 3.576 -0.238 1096TIP3 H239217 -3.692 3.447 -0.267 1097TIP3 OH239218 -2.742 3.584 0.963 1097TIP3 H139219 -2.837 3.599 0.943 1097TIP3 H239220 -2.712 3.564 0.873 1097TIP3 OH239221 -2.886 3.965 0.355 1097TIP3 H139222 -2.972 3.923 0.337 1097TIP3 H239223 -2.841 3.898 0.410 1097TIP3 OH239224 -4.114 3.799 -0.480 1097TIP3 H139225 -4.112 3.891 -0.449 1097TIP3 H239226 -4.203 3.789 -0.516 1097TIP3 OH239227 -4.025 3.294 0.397 1097TIP3 H139228 -4.058 3.293 0.305 1097TIP3 H239229 -4.069 3.216 0.435 1097TIP3 OH239230 -4.198 4.346 1.223 1097TIP3 H139231 -4.195 4.249 1.222 1097TIP3 H239232 -4.293 4.362 1.239 1097TIP3 OH239233 -3.588 4.328 1.159 1097TIP3 H139234 -3.585 4.347 1.063 1097TIP3 H239235 -3.550 4.238 1.163 1097TIP3 OH239236 -2.984 -4.377 0.933 1097TIP3 H139237 -2.903 -4.332 0.904 1097TIP3 H239238 -3.051 -4.310 0.915 1097TIP3 OH239239 -4.132 4.017 1.187 1097TIP3 H139240 -4.050 3.966 1.176 1097TIP3 H239241 -4.128 4.040 1.281 1097TIP3 OH239242 -3.659 4.160 -0.312 1097TIP3 H139243 -3.729 4.122 -0.257 1097TIP3 H239244 -3.647 4.092 -0.380 1097TIP3 OH239245 -3.747 3.934 0.922 1097TIP3 H139246 -3.807 4.010 0.934 1097TIP3 H239247 -3.686 3.968 0.854 1098TIP3 OH239248 -3.579 3.956 -0.488 1098TIP3 H139249 -3.581 3.972 -0.585 1098TIP3 H239250 -3.483 3.957 -0.471 1098TIP3 OH239251 -3.221 4.215 1.271 1098TIP3 H139252 -3.132 4.199 1.238 1098TIP3 H239253 -3.250 4.128 1.299 1098TIP3 OH239254 -2.648 4.189 -0.566 1098TIP3 H139255 -2.659 4.185 -0.662 1098TIP3 H239256 -2.645 4.285 -0.547 1098TIP3 OH239257 -3.690 3.663 1.030 1098TIP3 H139258 -3.684 3.598 0.958 1098TIP3 H239259 -3.711 3.744 0.981 1098TIP3 OH239260 -3.657 3.510 0.775 1098TIP3 H139261 -3.605 3.563 0.711 1098TIP3 H239262 -3.747 3.514 0.738 1098TIP3 OH239263 -3.505 4.067 0.807 1098TIP3 H139264 -3.421 4.056 0.758 1098TIP3 H239265 -3.542 4.147 0.765 1098TIP3 OH239266 -3.038 3.827 1.308 1098TIP3 H139267 -3.005 3.741 1.282 1098TIP3 H239268 -2.958 3.881 1.301 1098TIP3 OH239269 -2.951 4.131 1.125 1098TIP3 H139270 -2.971 4.206 1.064 1098TIP3 H239271 -2.856 4.120 1.107 1098TIP3 OH239272 -3.878 3.852 1.212 1098TIP3 H139273 -3.930 3.769 1.206 1098TIP3 H239274 -3.799 3.829 1.161 1098TIP3 OH239275 -3.586 3.243 0.811 1098TIP3 H139276 -3.603 3.338 0.793 1098TIP3 H239277 -3.655 3.201 0.756 1099TIP3 OH239278 -3.457 3.697 1.188 1099TIP3 H139279 -3.498 3.685 1.275 1099TIP3 H239280 -3.535 3.682 1.130 1099TIP3 OH239281 -3.204 3.605 1.076 1099TIP3 H139282 -3.293 3.612 1.114 1099TIP3 H239283 -3.159 3.546 1.139 1099TIP3 OH239284 -3.027 3.469 1.272 1099TIP3 H139285 -3.035 3.371 1.270 1099TIP3 H239286 -3.046 3.490 1.365 1099TIP3 OH239287 -4.010 3.598 1.192 1099TIP3 H139288 -4.017 3.527 1.126 1099TIP3 H239289 -4.033 3.551 1.275 1099TIP3 OH239290 -3.599 3.192 1.091 1099TIP3 H139291 -3.541 3.115 1.093 1099TIP3 H239292 -3.605 3.207 0.994 1099TIP3 OH239293 -3.510 3.376 1.281 1099TIP3 H139294 -3.534 3.318 1.206 1099TIP3 H239295 -3.576 3.447 1.275 1099TIP3 OH239296 -2.569 4.361 -0.123 1099TIP3 H139297 -2.474 4.364 -0.142 1099TIP3 H239298 -2.583 4.275 -0.081 1099TIP3 OH239299 -2.526 4.127 0.041 1099TIP3 H139300 -2.609 4.088 0.076 1099TIP3 H239301 -2.482 4.157 0.122 1099TIP3 OH239302 -2.514 4.093 -0.308 1099TIP3 H139303 -2.576 4.115 -0.380 1099TIP3 H239304 -2.526 4.169 -0.250 1099TIP3 OH239305 -2.685 3.842 -0.475 1099TIP3 H139306 -2.666 3.907 -0.545 1099TIP3 H239307 -2.709 3.763 -0.526 1100TIP3 OH239308 -2.756 3.966 0.113 1100TIP3 H139309 -2.759 3.870 0.099 1100TIP3 H239310 -2.793 3.974 0.204 1100TIP3 OH239311 -4.249 4.209 0.499 1100TIP3 H139312 -4.229 4.185 0.407 1100TIP3 H239313 -4.177 4.166 0.549 1100TIP3 OH239314 -2.655 4.151 1.005 1100TIP3 H139315 -2.600 4.103 1.069 1100TIP3 H239316 -2.635 4.245 1.023 1100TIP3 OH239317 -2.537 3.969 1.165 1100TIP3 H139318 -2.607 3.909 1.133 1100TIP3 H239319 -2.460 3.910 1.169 1100TIP3 OH239320 -2.740 3.578 -0.557 1100TIP3 H139321 -2.683 3.529 -0.495 1100TIP3 H239322 -2.821 3.525 -0.561 1100TIP3 OH239323 -2.757 3.706 -0.059 1100TIP3 H139324 -2.734 3.611 -0.056 1100TIP3 H239325 -2.678 3.743 -0.101 1100TIP3 OH239326 -2.737 3.764 0.483 1100TIP3 H139327 -2.640 3.779 0.482 1100TIP3 H239328 -2.753 3.772 0.579 1100TIP3 OH239329 -2.720 3.838 0.765 1100TIP3 H139330 -2.806 3.877 0.789 1100TIP3 H239331 -2.667 3.918 0.745 1100TIP3 OH239332 -4.287 3.709 1.126 1100TIP3 H139333 -4.200 3.666 1.120 1100TIP3 H239334 -4.347 3.635 1.143 1100TIP3 OH239335 -2.467 3.249 1.293 1100TIP3 H139336 -2.422 3.181 1.238 1100TIP3 H239337 -2.462 3.327 1.236 1101TIP3 OH239338 -2.712 3.427 -0.064 1101TIP3 H139339 -2.702 3.394 0.027 1101TIP3 H239340 -2.792 3.378 -0.093 1101TIP3 OH239341 -4.196 3.554 0.449 1101TIP3 H139342 -4.158 3.465 0.439 1101TIP3 H239343 -4.116 3.609 0.460 1101TIP3 OH239344 -4.328 3.817 0.530 1101TIP3 H139345 -4.295 3.767 0.454 1101TIP3 H239346 -4.311 3.908 0.501 1101TIP3 OH239347 -2.527 3.455 1.120 1101TIP3 H139348 -2.613 3.500 1.122 1101TIP3 H239349 -2.538 3.402 1.039 1101TIP3 OH239350 -2.516 3.475 -0.396 1101TIP3 H139351 -2.484 3.395 -0.442 1101TIP3 H239352 -2.436 3.528 -0.389 1101TIP3 OH239353 -4.316 3.431 -0.122 1101TIP3 H139354 -4.400 3.457 -0.164 1101TIP3 H239355 -4.258 3.503 -0.155 1101TIP3 OH239356 -4.291 3.328 0.715 1101TIP3 H139357 -4.360 3.319 0.785 1101TIP3 H239358 -4.335 3.374 0.642 1101TIP3 OH239359 -2.641 3.279 0.917 1101TIP3 H139360 -2.720 3.301 0.863 1101TIP3 H239361 -2.618 3.190 0.883 1101TIP3 OH239362 -3.296 3.429 0.365 1101TIP3 H139363 -3.366 3.362 0.377 1101TIP3 H239364 -3.238 3.384 0.301 1101TIP3 OH239365 -2.802 3.232 0.409 1101TIP3 H139366 -2.726 3.276 0.368 1101TIP3 H239367 -2.876 3.261 0.354 1102TIP3 OH239368 -2.594 3.342 0.195 1102TIP3 H139369 -2.522 3.301 0.144 1102TIP3 H239370 -2.562 3.434 0.204 1102TIP3 OH239371 -4.106 3.287 0.117 1102TIP3 H139372 -4.180 3.261 0.060 1102TIP3 H239373 -4.046 3.212 0.105 1102TIP3 OH239374 -4.180 3.249 -0.302 1102TIP3 H139375 -4.131 3.316 -0.353 1102TIP3 H239376 -4.234 3.305 -0.244 1102TIP3 OH239377 -3.614 3.282 0.106 1102TIP3 H139378 -3.523 3.314 0.092 1102TIP3 H239379 -3.617 3.275 0.202 1102TIP3 OH239380 -3.054 3.288 0.247 1102TIP3 H139381 -3.030 3.272 0.155 1102TIP3 H239382 -3.094 3.202 0.272 1102TIP3 OH239383 -2.944 3.288 -0.154 1102TIP3 H139384 -3.026 3.340 -0.167 1102TIP3 H239385 -2.980 3.198 -0.142 1102TIP3 OH239386 -4.006 3.437 -0.448 1102TIP3 H139387 -3.949 3.380 -0.501 1102TIP3 H239388 -3.944 3.466 -0.379 1102TIP3 OH239389 -3.499 3.451 -0.189 1102TIP3 H139390 -3.465 3.394 -0.119 1102TIP3 H239391 -3.479 3.538 -0.152 1102TIP3 OH239392 -4.080 3.327 1.069 1102TIP3 H139393 -4.125 3.251 1.109 1102TIP3 H239394 -3.988 3.312 1.097 1102TIP3 OH239395 -3.841 3.265 1.248 1102TIP3 H139396 -3.761 3.228 1.205 1102TIP3 H239397 -3.879 3.185 1.289 1103TIP3 OH239398 -3.029 3.186 1.267 1103TIP3 H139399 -3.022 3.139 1.352 1103TIP3 H239400 -2.938 3.179 1.234 1103TIP3 OH239401 -1.275 4.201 0.128 1103TIP3 H139402 -1.302 4.294 0.129 1103TIP3 H239403 -1.346 4.162 0.075 1103TIP3 OH239404 -1.413 4.133 0.457 1103TIP3 H139405 -1.389 4.081 0.535 1103TIP3 H239406 -1.413 4.068 0.386 1103TIP3 OH239407 -2.083 4.060 0.598 1103TIP3 H139408 -2.119 3.999 0.665 1103TIP3 H239409 -2.061 4.135 0.656 1103TIP3 OH239410 -2.378 3.889 0.012 1103TIP3 H139411 -2.427 3.974 0.013 1103TIP3 H239412 -2.443 3.831 -0.030 1103TIP3 OH239413 -2.260 4.139 0.210 1103TIP3 H139414 -2.279 4.052 0.251 1103TIP3 H239415 -2.210 4.111 0.133 1103TIP3 OH239416 -0.675 3.523 0.571 1103TIP3 H139417 -0.650 3.584 0.643 1103TIP3 H239418 -0.613 3.551 0.502 1103TIP3 OH239419 -1.212 3.804 0.558 1103TIP3 H139420 -1.196 3.708 0.564 1103TIP3 H239421 -1.222 3.816 0.462 1103TIP3 OH239422 -1.917 3.611 0.275 1103TIP3 H139423 -1.901 3.689 0.218 1103TIP3 H239424 -1.952 3.549 0.207 1103TIP3 OH239425 -1.128 3.624 0.102 1103TIP3 H139426 -1.068 3.582 0.167 1103TIP3 H239427 -1.064 3.668 0.044 1104TIP3 OH239428 -2.226 3.878 0.318 1104TIP3 H139429 -2.186 3.815 0.380 1104TIP3 H239430 -2.227 3.826 0.236 1104TIP3 OH239431 -0.600 3.661 0.821 1104TIP3 H139432 -0.660 3.732 0.791 1104TIP3 H239433 -0.624 3.656 0.914 1104TIP3 OH239434 -2.032 3.485 0.683 1104TIP3 H139435 -2.073 3.538 0.614 1104TIP3 H239436 -2.098 3.496 0.755 1104TIP3 OH239437 -1.795 4.262 0.650 1104TIP3 H139438 -1.870 4.323 0.637 1104TIP3 H239439 -1.722 4.323 0.639 1104TIP3 OH239440 -0.947 3.543 0.303 1104TIP3 H139441 -0.984 3.485 0.371 1104TIP3 H239442 -0.893 3.603 0.356 1104TIP3 OH239443 -2.053 3.704 0.492 1104TIP3 H139444 -1.989 3.750 0.548 1104TIP3 H239445 -1.997 3.665 0.421 1104TIP3 OH239446 -0.932 3.461 0.687 1104TIP3 H139447 -1.009 3.500 0.642 1104TIP3 H239448 -0.859 3.480 0.625 1104TIP3 OH239449 -1.620 3.225 0.392 1104TIP3 H139450 -1.642 3.130 0.393 1104TIP3 H239451 -1.701 3.264 0.429 1104TIP3 OH239452 -1.421 4.144 -0.133 1104TIP3 H139453 -1.488 4.176 -0.195 1104TIP3 H239454 -1.345 4.133 -0.193 1104TIP3 OH239455 -1.381 3.941 -0.415 1104TIP3 H139456 -1.308 3.979 -0.364 1104TIP3 H239457 -1.333 3.892 -0.483 1105TIP3 OH239458 -0.669 4.056 0.691 1105TIP3 H139459 -0.735 4.127 0.702 1105TIP3 H239460 -0.618 4.094 0.616 1105TIP3 OH239461 -1.051 4.139 -0.033 1105TIP3 H139462 -1.115 4.162 0.036 1105TIP3 H239463 -0.984 4.089 0.017 1105TIP3 OH239464 -1.078 3.981 0.859 1105TIP3 H139465 -1.075 4.057 0.919 1105TIP3 H239466 -1.131 4.019 0.788 1105TIP3 OH239467 -1.883 4.158 0.179 1105TIP3 H139468 -1.912 4.185 0.090 1105TIP3 H239469 -1.796 4.124 0.156 1105TIP3 OH239470 -1.171 4.075 -0.269 1105TIP3 H139471 -1.112 4.101 -0.194 1105TIP3 H239472 -1.124 4.119 -0.345 1105TIP3 OH239473 -2.062 4.149 0.886 1105TIP3 H139474 -2.051 4.214 0.959 1105TIP3 H239475 -2.159 4.138 0.892 1105TIP3 OH239476 -0.818 3.246 -0.329 1105TIP3 H139477 -0.903 3.252 -0.282 1105TIP3 H239478 -0.783 3.336 -0.318 1105TIP3 OH239479 -2.018 4.089 -0.078 1105TIP3 H139480 -2.024 4.165 -0.140 1105TIP3 H239481 -2.068 4.021 -0.125 1105TIP3 OH239482 -2.364 4.306 0.775 1105TIP3 H139483 -2.432 4.299 0.707 1105TIP3 H239484 -2.379 4.228 0.831 1105TIP3 OH239485 -0.879 3.838 1.093 1105TIP3 H139486 -0.929 3.875 1.019 1105TIP3 H239487 -0.873 3.744 1.066 1106TIP3 OH239488 -1.863 3.342 0.489 1106TIP3 H139489 -1.944 3.329 0.438 1106TIP3 H239490 -1.892 3.411 0.550 1106TIP3 OH239491 -1.427 3.308 0.848 1106TIP3 H139492 -1.374 3.252 0.909 1106TIP3 H239493 -1.517 3.271 0.859 1106TIP3 OH239494 -1.110 3.685 0.896 1106TIP3 H139495 -1.170 3.669 0.971 1106TIP3 H239496 -1.117 3.781 0.882 1106TIP3 OH239497 -1.030 4.174 -0.475 1106TIP3 H139498 -1.036 4.159 -0.571 1106TIP3 H239499 -0.942 4.216 -0.468 1106TIP3 OH239500 -1.444 3.557 -0.427 1106TIP3 H139501 -1.493 3.543 -0.344 1106TIP3 H239502 -1.484 3.488 -0.483 1106TIP3 OH239503 -1.876 3.854 0.141 1106TIP3 H139504 -1.967 3.848 0.105 1106TIP3 H239505 -1.826 3.841 0.058 1106TIP3 OH239506 -1.321 3.899 -0.009 1106TIP3 H139507 -1.366 3.975 -0.050 1106TIP3 H239508 -1.253 3.878 -0.075 1106TIP3 OH239509 -1.403 3.921 1.130 1106TIP3 H139510 -1.452 3.843 1.163 1106TIP3 H239511 -1.314 3.904 1.168 1106TIP3 OH239512 -1.246 3.833 0.269 1106TIP3 H139513 -1.269 3.886 0.190 1106TIP3 H239514 -1.220 3.750 0.224 1106TIP3 OH239515 -2.138 3.839 0.791 1106TIP3 H139516 -2.113 3.882 0.873 1106TIP3 H239517 -2.169 3.753 0.823 1107TIP3 OH239518 -1.800 3.603 -0.535 1107TIP3 H139519 -1.838 3.566 -0.453 1107TIP3 H239520 -1.879 3.618 -0.590 1107TIP3 OH239521 -2.450 3.594 0.173 1107TIP3 H139522 -2.388 3.587 0.247 1107TIP3 H239523 -2.404 3.550 0.100 1107TIP3 OH239524 -2.298 3.633 -0.257 1107TIP3 H139525 -2.244 3.681 -0.324 1107TIP3 H239526 -2.368 3.699 -0.241 1107TIP3 OH239527 -1.340 3.997 0.709 1107TIP3 H139528 -1.285 3.930 0.662 1107TIP3 H239529 -1.365 3.947 0.789 1107TIP3 OH239530 -1.608 3.593 0.213 1107TIP3 H139531 -1.702 3.582 0.236 1107TIP3 H239532 -1.564 3.572 0.297 1107TIP3 OH239533 -2.142 3.724 0.082 1107TIP3 H139534 -2.224 3.747 0.034 1107TIP3 H239535 -2.110 3.645 0.034 1107TIP3 OH239536 -1.787 3.760 -0.140 1107TIP3 H139537 -1.690 3.757 -0.145 1107TIP3 H239538 -1.813 3.808 -0.221 1107TIP3 OH239539 -1.167 3.508 0.516 1107TIP3 H139540 -1.231 3.507 0.590 1107TIP3 H239541 -1.224 3.474 0.445 1107TIP3 OH239542 -1.939 3.874 -0.371 1107TIP3 H139543 -1.997 3.845 -0.443 1107TIP3 H239544 -1.858 3.898 -0.420 1107TIP3 OH239545 -2.071 4.325 1.090 1107TIP3 H139546 -2.010 4.366 1.154 1107TIP3 H239547 -2.134 4.280 1.151 1108TIP3 OH239548 -1.532 3.867 0.378 1108TIP3 H139549 -1.455 3.828 0.334 1108TIP3 H239550 -1.540 3.813 0.458 1108TIP3 OH239551 -1.973 3.490 0.018 1108TIP3 H139552 -2.028 3.411 0.030 1108TIP3 H239553 -1.893 3.454 -0.023 1108TIP3 OH239554 -1.647 3.731 0.627 1108TIP3 H139555 -1.715 3.773 0.680 1108TIP3 H239556 -1.572 3.737 0.689 1108TIP3 OH239557 -1.649 4.361 -0.157 1108TIP3 H139558 -1.666 4.304 -0.234 1108TIP3 H239559 -1.572 4.325 -0.112 1108TIP3 OH239560 -0.844 4.266 0.678 1108TIP3 H139561 -0.819 4.312 0.596 1108TIP3 H239562 -0.939 4.256 0.660 1108TIP3 OH239563 -1.176 3.615 -0.412 1108TIP3 H139564 -1.275 3.614 -0.416 1108TIP3 H239565 -1.158 3.689 -0.350 1108TIP3 OH239566 -1.109 3.798 -0.203 1108TIP3 H139567 -1.020 3.782 -0.166 1108TIP3 H239568 -1.097 3.885 -0.247 1108TIP3 OH239569 -2.007 4.245 0.403 1108TIP3 H139570 -1.980 4.239 0.308 1108TIP3 H239571 -2.076 4.179 0.413 1108TIP3 OH239572 -2.340 4.073 0.929 1108TIP3 H139573 -2.343 4.056 1.025 1108TIP3 H239574 -2.421 4.031 0.896 1108TIP3 OH239575 -1.657 4.052 1.116 1108TIP3 H139576 -1.691 4.025 1.029 1108TIP3 H239577 -1.563 4.027 1.110 1109TIP3 OH239578 -0.650 3.798 -0.232 1109TIP3 H139579 -0.705 3.779 -0.311 1109TIP3 H239580 -0.637 3.893 -0.247 1109TIP3 OH239581 -1.103 4.178 0.548 1109TIP3 H139582 -1.192 4.185 0.512 1109TIP3 H239583 -1.053 4.136 0.476 1109TIP3 OH239584 -2.248 4.094 -0.427 1109TIP3 H139585 -2.188 4.155 -0.381 1109TIP3 H239586 -2.333 4.113 -0.383 1109TIP3 OH239587 -2.221 3.563 0.880 1109TIP3 H139588 -2.311 3.590 0.856 1109TIP3 H239589 -2.237 3.477 0.923 1109TIP3 OH239590 -2.072 -4.388 -0.241 1109TIP3 H139591 -2.162 -4.352 -0.230 1109TIP3 H239592 -2.024 -4.308 -0.268 1109TIP3 OH239593 -1.333 3.550 0.734 1109TIP3 H139594 -1.268 3.579 0.801 1109TIP3 H239595 -1.376 3.473 0.777 1109TIP3 OH239596 -1.263 3.495 -0.138 1109TIP3 H139597 -1.244 3.544 -0.219 1109TIP3 H239598 -1.213 3.543 -0.071 1109TIP3 OH239599 -1.520 3.692 -0.045 1109TIP3 H139600 -1.443 3.750 -0.030 1109TIP3 H239601 -1.550 3.675 0.047 1109TIP3 OH239602 -1.484 3.792 0.870 1109TIP3 H139603 -1.480 3.837 0.955 1109TIP3 H239604 -1.436 3.710 0.889 1109TIP3 OH239605 -1.457 3.397 0.052 1109TIP3 H139606 -1.481 3.467 0.115 1109TIP3 H239607 -1.386 3.441 -0.000 1110TIP3 OH239608 -1.888 3.495 -0.296 1110TIP3 H139609 -1.887 3.571 -0.235 1110TIP3 H239610 -1.806 3.449 -0.268 1110TIP3 OH239611 -0.855 3.585 0.961 1110TIP3 H139612 -0.951 3.595 0.946 1110TIP3 H239613 -0.830 3.562 0.870 1110TIP3 OH239614 -1.004 3.966 0.355 1110TIP3 H139615 -1.088 3.921 0.338 1110TIP3 H239616 -0.956 3.900 0.409 1110TIP3 OH239617 -2.236 3.800 -0.474 1110TIP3 H139618 -2.221 3.895 -0.459 1110TIP3 H239619 -2.319 3.801 -0.524 1110TIP3 OH239620 -2.142 3.306 0.401 1110TIP3 H139621 -2.160 3.303 0.305 1110TIP3 H239622 -2.175 3.220 0.431 1110TIP3 OH239623 -1.694 4.329 1.156 1110TIP3 H139624 -1.694 4.341 1.060 1110TIP3 H239625 -1.666 4.235 1.163 1110TIP3 OH239626 -1.099 -4.376 0.933 1110TIP3 H139627 -1.021 -4.331 0.899 1110TIP3 H239628 -1.168 -4.312 0.913 1110TIP3 OH239629 -1.781 4.160 -0.319 1110TIP3 H139630 -1.839 4.115 -0.258 1110TIP3 H239631 -1.762 4.091 -0.385 1110TIP3 OH239632 -1.849 3.926 0.896 1110TIP3 H139633 -1.912 3.990 0.933 1110TIP3 H239634 -1.789 3.984 0.845 1110TIP3 OH239635 -1.693 3.957 -0.487 1110TIP3 H139636 -1.696 3.971 -0.584 1110TIP3 H239637 -1.597 3.956 -0.471 1111TIP3 OH239638 -1.331 4.216 1.274 1111TIP3 H139639 -1.245 4.194 1.236 1111TIP3 H239640 -1.367 4.130 1.298 1111TIP3 OH239641 -0.762 4.189 -0.565 1111TIP3 H139642 -0.771 4.185 -0.662 1111TIP3 H239643 -0.760 4.285 -0.546 1111TIP3 OH239644 -1.804 3.663 1.030 1111TIP3 H139645 -1.797 3.597 0.959 1111TIP3 H239646 -1.827 3.743 0.980 1111TIP3 OH239647 -1.773 3.513 0.773 1111TIP3 H139648 -1.723 3.559 0.703 1111TIP3 H239649 -1.864 3.510 0.739 1111TIP3 OH239650 -1.623 4.068 0.797 1111TIP3 H139651 -1.533 4.059 0.759 1111TIP3 H239652 -1.648 4.157 0.771 1111TIP3 OH239653 -1.157 3.849 1.293 1111TIP3 H139654 -1.138 3.755 1.305 1111TIP3 H239655 -1.067 3.886 1.288 1111TIP3 OH239656 -1.062 4.137 1.128 1111TIP3 H139657 -1.085 4.209 1.065 1111TIP3 H239658 -0.972 4.117 1.099 1111TIP3 OH239659 -1.967 3.859 1.203 1111TIP3 H139660 -2.045 3.802 1.206 1111TIP3 H239661 -1.900 3.802 1.164 1111TIP3 OH239662 -1.701 3.245 0.813 1111TIP3 H139663 -1.722 3.339 0.797 1111TIP3 H239664 -1.772 3.199 0.764 1111TIP3 OH239665 -1.572 3.702 1.187 1111TIP3 H139666 -1.606 3.681 1.276 1111TIP3 H239667 -1.652 3.681 1.134 1112TIP3 OH239668 -1.319 3.607 1.075 1112TIP3 H139669 -1.408 3.612 1.117 1112TIP3 H239670 -1.274 3.542 1.132 1112TIP3 OH239671 -1.133 3.454 1.248 1112TIP3 H139672 -1.150 3.359 1.262 1112TIP3 H239673 -1.153 3.494 1.334 1112TIP3 OH239674 -2.122 3.595 1.197 1112TIP3 H139675 -2.126 3.526 1.129 1112TIP3 H239676 -2.142 3.544 1.278 1112TIP3 OH239677 -1.698 3.182 1.094 1112TIP3 H139678 -1.639 3.105 1.092 1112TIP3 H239679 -1.708 3.197 0.998 1112TIP3 OH239680 -1.621 3.379 1.278 1112TIP3 H139681 -1.646 3.317 1.207 1112TIP3 H239682 -1.692 3.445 1.276 1112TIP3 OH239683 -0.684 4.359 -0.126 1112TIP3 H139684 -0.588 4.365 -0.139 1112TIP3 H239685 -0.696 4.276 -0.078 1112TIP3 OH239686 -0.645 4.130 0.038 1112TIP3 H139687 -0.723 4.088 0.079 1112TIP3 H239688 -0.589 4.152 0.115 1112TIP3 OH239689 -0.627 4.094 -0.309 1112TIP3 H139690 -0.690 4.116 -0.380 1112TIP3 H239691 -0.641 4.168 -0.248 1112TIP3 OH239692 -0.800 3.842 -0.475 1112TIP3 H139693 -0.780 3.907 -0.545 1112TIP3 H239694 -0.824 3.762 -0.525 1112TIP3 OH239695 -0.872 3.966 0.113 1112TIP3 H139696 -0.873 3.869 0.100 1112TIP3 H239697 -0.908 3.973 0.204 1113TIP3 OH239698 -2.385 4.167 0.501 1113TIP3 H139699 -2.369 4.197 0.411 1113TIP3 H239700 -2.300 4.182 0.545 1113TIP3 OH239701 -0.785 4.160 1.033 1113TIP3 H139702 -0.713 4.101 1.061 1113TIP3 H239703 -0.742 4.244 1.011 1113TIP3 OH239704 -0.644 3.965 1.153 1113TIP3 H139705 -0.725 3.913 1.134 1113TIP3 H239706 -0.576 3.896 1.156 1113TIP3 OH239707 -0.854 3.578 -0.558 1113TIP3 H139708 -0.797 3.529 -0.495 1113TIP3 H239709 -0.935 3.524 -0.562 1113TIP3 OH239710 -0.873 3.706 -0.059 1113TIP3 H139711 -0.848 3.611 -0.055 1113TIP3 H239712 -0.793 3.742 -0.101 1113TIP3 OH239713 -0.852 3.768 0.481 1113TIP3 H139714 -0.754 3.779 0.479 1113TIP3 H239715 -0.866 3.771 0.578 1113TIP3 OH239716 -0.834 3.837 0.765 1113TIP3 H139717 -0.920 3.875 0.789 1113TIP3 H239718 -0.783 3.917 0.741 1113TIP3 OH239719 -2.389 3.713 1.129 1113TIP3 H139720 -2.294 3.694 1.135 1113TIP3 H239721 -2.428 3.625 1.141 1113TIP3 OH239722 -0.578 3.254 1.294 1113TIP3 H139723 -0.537 3.184 1.239 1113TIP3 H239724 -0.575 3.330 1.234 1113TIP3 OH239725 -0.827 3.427 -0.063 1113TIP3 H139726 -0.815 3.393 0.028 1113TIP3 H239727 -0.906 3.378 -0.092 1114TIP3 OH239728 -2.292 3.561 0.414 1114TIP3 H139729 -2.255 3.471 0.421 1114TIP3 H239730 -2.225 3.613 0.461 1114TIP3 OH239731 -2.455 3.816 0.519 1114TIP3 H139732 -2.398 3.812 0.441 1114TIP3 H239733 -2.425 3.897 0.562 1114TIP3 OH239734 -0.640 3.458 1.117 1114TIP3 H139735 -0.729 3.499 1.122 1114TIP3 H239736 -0.652 3.402 1.038 1114TIP3 OH239737 -0.631 3.476 -0.397 1114TIP3 H139738 -0.599 3.395 -0.440 1114TIP3 H239739 -0.549 3.527 -0.389 1114TIP3 OH239740 -2.405 3.450 -0.076 1114TIP3 H139741 -2.500 3.453 -0.099 1114TIP3 H239742 -2.364 3.509 -0.143 1114TIP3 OH239743 -2.400 3.338 0.737 1114TIP3 H139744 -2.471 3.310 0.796 1114TIP3 H239745 -2.450 3.389 0.671 1114TIP3 OH239746 -0.754 3.278 0.915 1114TIP3 H139747 -0.834 3.299 0.864 1114TIP3 H239748 -0.735 3.188 0.882 1114TIP3 OH239749 -1.416 3.431 0.363 1114TIP3 H139750 -1.482 3.362 0.379 1114TIP3 H239751 -1.355 3.385 0.303 1114TIP3 OH239752 -0.919 3.225 0.412 1114TIP3 H139753 -0.841 3.267 0.373 1114TIP3 H239754 -0.992 3.256 0.355 1114TIP3 OH239755 -0.709 3.341 0.195 1114TIP3 H139756 -0.638 3.297 0.143 1114TIP3 H239757 -0.674 3.431 0.204 1115TIP3 OH239758 -2.178 3.301 0.119 1115TIP3 H139759 -2.263 3.287 0.074 1115TIP3 H239760 -2.134 3.214 0.104 1115TIP3 OH239761 -2.295 3.250 -0.295 1115TIP3 H139762 -2.243 3.315 -0.345 1115TIP3 H239763 -2.335 3.304 -0.226 1115TIP3 OH239764 -1.732 3.288 0.107 1115TIP3 H139765 -1.638 3.307 0.088 1115TIP3 H239766 -1.728 3.267 0.201 1115TIP3 OH239767 -1.178 3.267 0.251 1115TIP3 H139768 -1.147 3.266 0.160 1115TIP3 H239769 -1.193 3.173 0.268 1115TIP3 OH239770 -1.059 3.288 -0.154 1115TIP3 H139771 -1.142 3.336 -0.171 1115TIP3 H239772 -1.092 3.198 -0.140 1115TIP3 OH239773 -2.124 3.430 -0.449 1115TIP3 H139774 -2.062 3.377 -0.502 1115TIP3 H239775 -2.064 3.465 -0.380 1115TIP3 OH239776 -1.617 3.451 -0.189 1115TIP3 H139777 -1.582 3.389 -0.124 1115TIP3 H239778 -1.591 3.536 -0.149 1115TIP3 OH239779 -2.198 3.325 1.072 1115TIP3 H139780 -2.235 3.242 1.107 1115TIP3 H239781 -2.104 3.314 1.096 1115TIP3 OH239782 -1.952 3.260 1.241 1115TIP3 H139783 -1.869 3.224 1.204 1115TIP3 H239784 -1.988 3.181 1.284 1115TIP3 OH239785 -1.146 3.174 1.260 1115TIP3 H139786 -1.142 3.133 1.348 1115TIP3 H239787 -1.052 3.172 1.234 1116TIP3 OH239788 0.492 4.123 0.429 1116TIP3 H139789 0.496 4.102 0.524 1116TIP3 H239790 0.463 4.037 0.394 1116TIP3 OH239791 -0.262 4.081 0.613 1116TIP3 H139792 -0.264 4.007 0.676 1116TIP3 H239793 -0.191 4.135 0.652 1116TIP3 OH239794 -0.492 3.886 0.007 1116TIP3 H139795 -0.537 3.972 0.014 1116TIP3 H239796 -0.561 3.832 -0.033 1116TIP3 OH239797 -0.396 4.136 0.196 1116TIP3 H139798 -0.399 4.055 0.250 1116TIP3 H239799 -0.319 4.117 0.141 1116TIP3 OH239800 1.212 3.523 0.572 1116TIP3 H139801 1.236 3.584 0.643 1116TIP3 H239802 1.273 3.552 0.501 1116TIP3 OH239803 0.676 3.805 0.560 1116TIP3 H139804 0.689 3.708 0.566 1116TIP3 H239805 0.665 3.816 0.464 1116TIP3 OH239806 -0.028 3.606 0.267 1116TIP3 H139807 -0.015 3.691 0.220 1116TIP3 H239808 -0.063 3.552 0.193 1116TIP3 OH239809 0.758 3.623 0.098 1116TIP3 H139810 0.815 3.579 0.165 1116TIP3 H239811 0.825 3.667 0.043 1116TIP3 OH239812 -0.360 3.878 0.317 1116TIP3 H139813 -0.297 3.830 0.374 1116TIP3 H239814 -0.351 3.829 0.234 1116TIP3 OH239815 0.190 4.023 0.264 1116TIP3 H139816 0.251 3.960 0.306 1116TIP3 H239817 0.131 3.962 0.215 1117TIP3 OH239818 1.285 3.660 0.821 1117TIP3 H139819 1.226 3.732 0.791 1117TIP3 H239820 1.262 3.656 0.914 1117TIP3 OH239821 -0.147 3.485 0.683 1117TIP3 H139822 -0.189 3.534 0.610 1117TIP3 H239823 -0.213 3.498 0.754 1117TIP3 OH239824 0.126 4.266 0.656 1117TIP3 H139825 0.042 4.314 0.664 1117TIP3 H239826 0.187 4.341 0.667 1117TIP3 OH239827 0.940 3.547 0.301 1117TIP3 H139828 0.902 3.486 0.366 1117TIP3 H239829 0.992 3.606 0.358 1117TIP3 OH239830 -0.188 3.689 0.476 1117TIP3 H139831 -0.124 3.746 0.524 1117TIP3 H239832 -0.130 3.652 0.406 1117TIP3 OH239833 0.953 3.463 0.687 1117TIP3 H139834 0.876 3.501 0.641 1117TIP3 H239835 1.025 3.480 0.623 1117TIP3 OH239836 0.266 3.234 0.392 1117TIP3 H139837 0.244 3.139 0.386 1117TIP3 H239838 0.184 3.272 0.429 1117TIP3 OH239839 0.466 4.148 -0.117 1117TIP3 H139840 0.402 4.198 -0.172 1117TIP3 H239841 0.542 4.147 -0.177 1117TIP3 OH239842 0.505 3.941 -0.413 1117TIP3 H139843 0.578 3.981 -0.362 1117TIP3 H239844 0.554 3.893 -0.481 1117TIP3 OH239845 1.216 4.055 0.689 1117TIP3 H139846 1.152 4.128 0.704 1117TIP3 H239847 1.268 4.094 0.616 1118TIP3 OH239848 0.818 4.156 -0.013 1118TIP3 H139849 0.739 4.141 0.040 1118TIP3 H239850 0.884 4.097 0.029 1118TIP3 OH239851 0.808 3.981 0.859 1118TIP3 H139852 0.812 4.057 0.919 1118TIP3 H239853 0.752 4.018 0.789 1118TIP3 OH239854 -0.027 4.200 0.159 1118TIP3 H139855 -0.042 4.175 0.066 1118TIP3 H239856 0.059 4.157 0.177 1118TIP3 OH239857 0.043 4.065 0.500 1118TIP3 H139858 0.100 4.075 0.421 1118TIP3 H239859 0.072 4.141 0.555 1118TIP3 OH239860 0.722 4.074 -0.265 1118TIP3 H139861 0.781 4.106 -0.195 1118TIP3 H239862 0.762 4.120 -0.344 1118TIP3 OH239863 -0.173 4.147 0.886 1118TIP3 H139864 -0.161 4.210 0.961 1118TIP3 H239865 -0.270 4.141 0.884 1118TIP3 OH239866 1.066 3.247 -0.328 1118TIP3 H139867 0.979 3.256 -0.285 1118TIP3 H239868 1.101 3.337 -0.322 1118TIP3 OH239869 -0.126 4.090 -0.088 1118TIP3 H139870 -0.142 4.168 -0.146 1118TIP3 H239871 -0.186 4.024 -0.124 1118TIP3 OH239872 -0.519 4.310 0.788 1118TIP3 H139873 -0.528 4.291 0.694 1118TIP3 H239874 -0.494 4.223 0.825 1118TIP3 OH239875 1.006 3.837 1.093 1118TIP3 H139876 0.957 3.875 1.019 1118TIP3 H239877 1.013 3.744 1.066 1119TIP3 OH239878 0.024 3.349 0.483 1119TIP3 H139879 -0.058 3.342 0.430 1119TIP3 H239880 -0.001 3.421 0.543 1119TIP3 OH239881 0.461 3.307 0.848 1119TIP3 H139882 0.513 3.254 0.910 1119TIP3 H239883 0.370 3.272 0.860 1119TIP3 OH239884 0.777 3.685 0.898 1119TIP3 H139885 0.716 3.670 0.973 1119TIP3 H239886 0.769 3.781 0.882 1119TIP3 OH239887 0.856 4.173 -0.476 1119TIP3 H139888 0.851 4.159 -0.572 1119TIP3 H239889 0.943 4.215 -0.467 1119TIP3 OH239890 0.442 3.557 -0.426 1119TIP3 H139891 0.392 3.544 -0.344 1119TIP3 H239892 0.400 3.490 -0.483 1119TIP3 OH239893 0.010 3.823 0.627 1119TIP3 H139894 -0.052 3.837 0.701 1119TIP3 H239895 0.018 3.914 0.589 1119TIP3 OH239896 0.005 3.837 0.111 1119TIP3 H139897 -0.091 3.828 0.095 1119TIP3 H239898 0.039 3.816 0.021 1119TIP3 OH239899 0.571 3.906 -0.004 1119TIP3 H139900 0.520 3.978 -0.046 1119TIP3 H239901 0.630 3.879 -0.077 1119TIP3 OH239902 0.483 3.922 1.134 1119TIP3 H139903 0.434 3.843 1.164 1119TIP3 H239904 0.573 3.904 1.169 1119TIP3 OH239905 0.650 3.831 0.262 1119TIP3 H139906 0.620 3.879 0.182 1119TIP3 H239907 0.675 3.746 0.220 1120TIP3 OH239908 -0.252 3.841 0.803 1120TIP3 H139909 -0.231 3.878 0.889 1120TIP3 H239910 -0.288 3.754 0.827 1120TIP3 OH239911 0.085 3.602 -0.536 1120TIP3 H139912 0.049 3.567 -0.453 1120TIP3 H239913 0.006 3.617 -0.589 1120TIP3 OH239914 -0.571 3.592 0.171 1120TIP3 H139915 -0.511 3.587 0.247 1120TIP3 H239916 -0.521 3.550 0.099 1120TIP3 OH239917 -0.412 3.634 -0.257 1120TIP3 H139918 -0.359 3.682 -0.324 1120TIP3 H239919 -0.483 3.699 -0.240 1120TIP3 OH239920 0.546 4.000 0.707 1120TIP3 H139921 0.599 3.932 0.659 1120TIP3 H239922 0.520 3.950 0.786 1120TIP3 OH239923 0.282 3.598 0.216 1120TIP3 H139924 0.187 3.590 0.237 1120TIP3 H239925 0.322 3.571 0.301 1120TIP3 OH239926 -0.263 3.717 0.082 1120TIP3 H139927 -0.344 3.743 0.035 1120TIP3 H239928 -0.234 3.637 0.034 1120TIP3 OH239929 0.100 3.752 -0.149 1120TIP3 H139930 0.197 3.758 -0.146 1120TIP3 H239931 0.076 3.809 -0.224 1120TIP3 OH239932 0.719 3.508 0.516 1120TIP3 H139933 0.655 3.508 0.590 1120TIP3 H239934 0.662 3.473 0.445 1120TIP3 OH239935 -0.054 3.877 -0.372 1120TIP3 H139936 -0.111 3.845 -0.444 1120TIP3 H239937 0.027 3.898 -0.421 1121TIP3 OH239938 -0.162 4.316 1.094 1121TIP3 H139939 -0.106 4.365 1.158 1121TIP3 H239940 -0.243 4.304 1.147 1121TIP3 OH239941 0.386 3.855 0.399 1121TIP3 H139942 0.453 3.805 0.351 1121TIP3 H239943 0.365 3.795 0.473 1121TIP3 OH239944 -0.091 3.487 0.016 1121TIP3 H139945 -0.145 3.407 0.028 1121TIP3 H239946 -0.010 3.450 -0.024 1121TIP3 OH239947 0.281 3.698 0.617 1121TIP3 H139948 0.200 3.752 0.624 1121TIP3 H239949 0.330 3.720 0.699 1121TIP3 OH239950 0.278 -4.331 -0.206 1121TIP3 H139951 0.208 -4.391 -0.238 1121TIP3 H239952 0.267 -4.329 -0.110 1121TIP3 OH239953 1.040 4.266 0.679 1121TIP3 H139954 1.068 4.311 0.597 1121TIP3 H239955 0.945 4.258 0.659 1121TIP3 OH239956 0.710 3.616 -0.411 1121TIP3 H139957 0.611 3.614 -0.416 1121TIP3 H239958 0.727 3.690 -0.350 1121TIP3 OH239959 0.777 3.798 -0.202 1121TIP3 H139960 0.866 3.781 -0.166 1121TIP3 H239961 0.788 3.884 -0.247 1121TIP3 OH239962 -0.161 4.252 0.387 1121TIP3 H139963 -0.109 4.240 0.305 1121TIP3 H239964 -0.159 4.163 0.425 1121TIP3 OH239965 -0.462 4.079 0.916 1121TIP3 H139966 -0.452 4.042 1.006 1121TIP3 H239967 -0.536 4.028 0.879 1122TIP3 OH239968 0.229 4.051 1.120 1122TIP3 H139969 0.194 4.027 1.032 1122TIP3 H239970 0.323 4.027 1.110 1122TIP3 OH239971 1.235 3.798 -0.233 1122TIP3 H139972 1.181 3.779 -0.311 1122TIP3 H239973 1.248 3.893 -0.247 1122TIP3 OH239974 0.783 4.186 0.541 1122TIP3 H139975 0.692 4.173 0.511 1122TIP3 H239976 0.834 4.133 0.478 1122TIP3 OH239977 -0.363 4.094 -0.428 1122TIP3 H139978 -0.304 4.155 -0.381 1122TIP3 H239979 -0.448 4.112 -0.383 1122TIP3 OH239980 -0.336 3.566 0.883 1122TIP3 H139981 -0.427 3.589 0.855 1122TIP3 H239982 -0.350 3.477 0.922 1122TIP3 OH239983 -0.185 -4.387 -0.241 1122TIP3 H139984 -0.277 -4.353 -0.230 1122TIP3 H239985 -0.141 -4.306 -0.271 1122TIP3 OH239986 0.560 3.549 0.736 1122TIP3 H139987 0.623 3.576 0.805 1122TIP3 H239988 0.512 3.474 0.778 1122TIP3 OH239989 0.624 3.494 -0.138 1122TIP3 H139990 0.643 3.545 -0.218 1122TIP3 H239991 0.672 3.543 -0.070 1122TIP3 OH239992 0.367 3.693 -0.043 1122TIP3 H139993 0.444 3.750 -0.028 1122TIP3 H239994 0.336 3.675 0.048 1122TIP3 OH239995 0.407 3.792 0.874 1122TIP3 H139996 0.411 3.839 0.958 1122TIP3 H239997 0.454 3.710 0.895 1123TIP3 OH239998 0.425 3.394 0.050 1123TIP3 H139999 0.407 3.463 0.117 1123TIP3 H240000 0.498 3.435 -0.001 1123TIP3 OH240001 -0.002 3.494 -0.297 1123TIP3 H140002 -0.000 3.570 -0.236 1123TIP3 H240003 0.079 3.446 -0.270 1123TIP3 OH240004 1.031 3.585 0.961 1123TIP3 H140005 0.935 3.596 0.946 1123TIP3 H240006 1.056 3.562 0.870 1123TIP3 OH240007 0.882 3.967 0.357 1123TIP3 H140008 0.800 3.919 0.336 1123TIP3 H240009 0.932 3.901 0.409 1123TIP3 OH240010 -0.350 3.800 -0.475 1123TIP3 H140011 -0.335 3.895 -0.459 1123TIP3 H240012 -0.434 3.800 -0.522 1123TIP3 OH240013 -0.256 3.303 0.399 1123TIP3 H140014 -0.275 3.299 0.303 1123TIP3 H240015 -0.289 3.217 0.430 1123TIP3 OH240016 -0.406 4.306 1.207 1123TIP3 H140017 -0.427 4.211 1.208 1123TIP3 H240018 -0.486 4.349 1.179 1123TIP3 OH240019 0.185 4.329 1.158 1123TIP3 H140020 0.186 4.345 1.062 1123TIP3 H240021 0.219 4.237 1.163 1123TIP3 OH240022 0.786 -4.376 0.933 1123TIP3 H140023 0.866 -4.333 0.900 1123TIP3 H240024 0.719 -4.309 0.915 1123TIP3 OH240025 -0.348 4.024 1.178 1123TIP3 H140026 -0.271 3.966 1.171 1123TIP3 H240027 -0.347 4.045 1.273 1124TIP3 OH240028 0.109 4.161 -0.303 1124TIP3 H140029 0.040 4.115 -0.255 1124TIP3 H240030 0.127 4.100 -0.377 1124TIP3 OH240031 0.025 3.933 0.919 1124TIP3 H140032 -0.033 4.010 0.935 1124TIP3 H240033 0.087 3.969 0.854 1124TIP3 OH240034 0.191 3.957 -0.488 1124TIP3 H140035 0.190 3.972 -0.584 1124TIP3 H240036 0.287 3.959 -0.470 1124TIP3 OH240037 0.554 4.215 1.275 1124TIP3 H140038 0.640 4.196 1.237 1124TIP3 H240039 0.519 4.128 1.295 1124TIP3 OH240040 1.125 4.189 -0.567 1124TIP3 H140041 1.113 4.187 -0.663 1124TIP3 H240042 1.124 4.285 -0.545 1124TIP3 OH240043 0.082 3.663 1.030 1124TIP3 H140044 0.087 3.597 0.958 1124TIP3 H240045 0.060 3.744 0.980 1124TIP3 OH240046 0.114 3.511 0.775 1124TIP3 H140047 0.165 3.562 0.709 1124TIP3 H240048 0.023 3.513 0.738 1124TIP3 OH240049 0.264 4.066 0.806 1124TIP3 H140050 0.348 4.053 0.760 1124TIP3 H240051 0.230 4.148 0.766 1124TIP3 OH240052 0.729 3.849 1.294 1124TIP3 H140053 0.749 3.755 1.303 1124TIP3 H240054 0.818 3.887 1.287 1124TIP3 OH240055 0.823 4.136 1.128 1124TIP3 H140056 0.800 4.208 1.064 1124TIP3 H240057 0.914 4.118 1.101 1125TIP3 OH240058 -0.104 3.851 1.209 1125TIP3 H140059 -0.154 3.767 1.208 1125TIP3 H240060 -0.021 3.824 1.165 1125TIP3 OH240061 0.186 3.244 0.810 1125TIP3 H140062 0.168 3.339 0.794 1125TIP3 H240063 0.117 3.201 0.756 1125TIP3 OH240064 0.313 3.702 1.188 1125TIP3 H140065 0.279 3.680 1.276 1125TIP3 H240066 0.234 3.682 1.134 1125TIP3 OH240067 0.567 3.608 1.076 1125TIP3 H140068 0.478 3.611 1.117 1125TIP3 H240069 0.613 3.543 1.132 1125TIP3 OH240070 0.751 3.455 1.247 1125TIP3 H140071 0.737 3.359 1.262 1125TIP3 H240072 0.733 3.493 1.335 1125TIP3 OH240073 -0.231 3.594 1.193 1125TIP3 H140074 -0.240 3.524 1.126 1125TIP3 H240075 -0.254 3.546 1.275 1125TIP3 OH240076 0.171 3.192 1.092 1125TIP3 H140077 0.230 3.115 1.097 1125TIP3 H240078 0.168 3.207 0.995 1125TIP3 OH240079 0.265 3.379 1.277 1125TIP3 H140080 0.236 3.319 1.205 1125TIP3 H240081 0.195 3.446 1.278 1125TIP3 OH240082 1.206 4.366 -0.118 1125TIP3 H140083 1.299 4.361 -0.143 1125TIP3 H240084 1.186 4.278 -0.082 1125TIP3 OH240085 1.241 4.128 0.037 1125TIP3 H140086 1.161 4.089 0.079 1125TIP3 H240087 1.297 4.151 0.114 1126TIP3 OH240088 1.258 4.093 -0.309 1126TIP3 H140089 1.195 4.117 -0.380 1126TIP3 H240090 1.246 4.167 -0.248 1126TIP3 OH240091 1.086 3.843 -0.475 1126TIP3 H140092 1.105 3.907 -0.545 1126TIP3 H240093 1.062 3.763 -0.525 1126TIP3 OH240094 1.005 3.967 0.109 1126TIP3 H140095 1.011 3.870 0.098 1126TIP3 H240096 0.976 3.974 0.203 1126TIP3 OH240097 -0.501 4.186 0.511 1126TIP3 H140098 -0.491 4.203 0.416 1126TIP3 H240099 -0.410 4.161 0.537 1126TIP3 OH240100 1.099 4.161 1.037 1126TIP3 H140101 1.171 4.101 1.061 1126TIP3 H240102 1.143 4.244 1.010 1126TIP3 OH240103 1.242 3.965 1.152 1126TIP3 H140104 1.161 3.912 1.134 1126TIP3 H240105 1.310 3.896 1.156 1126TIP3 OH240106 1.031 3.578 -0.557 1126TIP3 H140107 1.089 3.529 -0.496 1126TIP3 H240108 0.951 3.524 -0.562 1126TIP3 OH240109 1.013 3.706 -0.059 1126TIP3 H140110 1.038 3.611 -0.054 1126TIP3 H240111 1.094 3.742 -0.101 1126TIP3 OH240112 1.035 3.768 0.482 1126TIP3 H140113 1.132 3.779 0.481 1126TIP3 H240114 1.020 3.770 0.578 1126TIP3 OH240115 1.052 3.837 0.765 1126TIP3 H140116 0.966 3.875 0.789 1126TIP3 H240117 1.103 3.918 0.741 1127TIP3 OH240118 -0.501 3.716 1.135 1127TIP3 H140119 -0.407 3.690 1.134 1127TIP3 H240120 -0.545 3.630 1.139 1127TIP3 OH240121 1.307 3.253 1.294 1127TIP3 H140122 1.348 3.183 1.239 1127TIP3 H240123 1.310 3.330 1.234 1127TIP3 OH240124 1.059 3.427 -0.064 1127TIP3 H140125 1.070 3.394 0.027 1127TIP3 H240126 0.979 3.378 -0.092 1127TIP3 OH240127 -0.423 3.547 0.412 1127TIP3 H140128 -0.378 3.461 0.419 1127TIP3 H240129 -0.354 3.607 0.447 1127TIP3 OH240130 -0.568 3.815 0.518 1127TIP3 H140131 -0.509 3.812 0.441 1127TIP3 H240132 -0.535 3.894 0.563 1127TIP3 OH240133 1.245 3.458 1.117 1127TIP3 H140134 1.157 3.499 1.123 1127TIP3 H240135 1.233 3.402 1.038 1127TIP3 OH240136 1.255 3.475 -0.397 1127TIP3 H140137 1.286 3.395 -0.442 1127TIP3 H240138 1.336 3.527 -0.389 1127TIP3 OH240139 -0.519 3.448 -0.078 1127TIP3 H140140 -0.614 3.452 -0.098 1127TIP3 H240141 -0.479 3.508 -0.143 1127TIP3 OH240142 -0.514 3.339 0.739 1127TIP3 H140143 -0.586 3.309 0.796 1127TIP3 H240144 -0.564 3.387 0.670 1127TIP3 OH240145 1.132 3.280 0.916 1127TIP3 H140146 1.051 3.299 0.865 1127TIP3 H240147 1.154 3.190 0.883 1128TIP3 OH240148 0.473 3.431 0.361 1128TIP3 H140149 0.405 3.362 0.377 1128TIP3 H240150 0.535 3.383 0.302 1128TIP3 OH240151 0.970 3.234 0.410 1128TIP3 H140152 1.046 3.277 0.367 1128TIP3 H240153 0.896 3.260 0.353 1128TIP3 OH240154 1.177 3.343 0.195 1128TIP3 H140155 1.248 3.300 0.144 1128TIP3 H240156 1.211 3.434 0.204 1128TIP3 OH240157 -0.299 3.295 0.118 1128TIP3 H140158 -0.383 3.283 0.070 1128TIP3 H240159 -0.258 3.207 0.104 1128TIP3 OH240160 -0.412 3.252 -0.296 1128TIP3 H140161 -0.358 3.317 -0.345 1128TIP3 H240162 -0.449 3.305 -0.225 1128TIP3 OH240163 0.156 3.285 0.105 1128TIP3 H140164 0.249 3.311 0.091 1128TIP3 H240165 0.153 3.272 0.200 1128TIP3 OH240166 0.715 3.288 0.246 1128TIP3 H140167 0.743 3.270 0.156 1128TIP3 H240168 0.677 3.202 0.272 1128TIP3 OH240169 0.826 3.288 -0.154 1128TIP3 H140170 0.744 3.338 -0.169 1128TIP3 H240171 0.792 3.198 -0.139 1128TIP3 OH240172 -0.238 3.434 -0.451 1128TIP3 H140173 -0.177 3.376 -0.501 1128TIP3 H240174 -0.179 3.466 -0.380 1128TIP3 OH240175 0.271 3.451 -0.190 1128TIP3 H140176 0.306 3.392 -0.120 1128TIP3 H240177 0.292 3.537 -0.151 1129TIP3 OH240178 -0.311 3.325 1.072 1129TIP3 H140179 -0.351 3.243 1.106 1129TIP3 H240180 -0.218 3.312 1.097 1129TIP3 OH240181 -0.072 3.264 1.245 1129TIP3 H140182 0.010 3.229 1.204 1129TIP3 H240183 -0.107 3.184 1.287 1129TIP3 OH240184 0.740 3.175 1.262 1129TIP3 H140185 0.744 3.132 1.349 1129TIP3 H240186 0.834 3.171 1.235 1129TIP3 OH240187 2.498 4.203 0.126 1129TIP3 H140188 2.468 4.295 0.126 1129TIP3 H240189 2.424 4.160 0.080 1129TIP3 OH240190 2.377 4.133 0.454 1129TIP3 H140191 2.382 4.079 0.535 1129TIP3 H240192 2.354 4.068 0.387 1129TIP3 OH240193 1.623 4.082 0.615 1129TIP3 H140194 1.621 4.007 0.677 1129TIP3 H240195 1.697 4.133 0.651 1129TIP3 OH240196 1.393 3.885 0.007 1129TIP3 H140197 1.350 3.972 0.014 1129TIP3 H240198 1.324 3.832 -0.034 1129TIP3 OH240199 1.487 4.135 0.194 1129TIP3 H140200 1.486 4.055 0.250 1129TIP3 H240201 1.567 4.120 0.143 1129TIP3 OH240202 3.098 3.522 0.572 1129TIP3 H140203 3.122 3.585 0.642 1129TIP3 H240204 3.158 3.550 0.501 1129TIP3 OH240205 2.561 3.804 0.560 1129TIP3 H140206 2.575 3.707 0.564 1129TIP3 H240207 2.552 3.818 0.465 1130TIP3 OH240208 1.859 3.605 0.267 1130TIP3 H140209 1.872 3.691 0.222 1130TIP3 H240210 1.823 3.553 0.192 1130TIP3 OH240211 2.643 3.622 0.098 1130TIP3 H140212 2.702 3.580 0.165 1130TIP3 H240213 2.709 3.667 0.043 1130TIP3 OH240214 1.524 3.877 0.318 1130TIP3 H140215 1.589 3.831 0.374 1130TIP3 H240216 1.535 3.829 0.234 1130TIP3 OH240217 2.068 4.018 0.266 1130TIP3 H140218 2.135 3.960 0.305 1130TIP3 H240219 2.013 3.954 0.216 1130TIP3 OH240220 3.171 3.661 0.821 1130TIP3 H140221 3.113 3.732 0.790 1130TIP3 H240222 3.146 3.656 0.914 1130TIP3 OH240223 1.737 3.484 0.683 1130TIP3 H140224 1.697 3.535 0.611 1130TIP3 H240225 1.672 3.498 0.754 1130TIP3 OH240226 2.010 4.266 0.660 1130TIP3 H140227 1.929 4.319 0.667 1130TIP3 H240228 2.075 4.337 0.653 1130TIP3 OH240229 2.826 3.546 0.302 1130TIP3 H140230 2.786 3.488 0.369 1130TIP3 H240231 2.878 3.607 0.357 1130TIP3 OH240232 1.698 3.689 0.477 1130TIP3 H140233 1.762 3.746 0.524 1130TIP3 H240234 1.755 3.653 0.406 1130TIP3 OH240235 2.839 3.461 0.686 1130TIP3 H140236 2.762 3.501 0.641 1130TIP3 H240237 2.911 3.481 0.624 1131TIP3 OH240238 2.151 3.232 0.390 1131TIP3 H140239 2.129 3.138 0.387 1131TIP3 H240240 2.069 3.271 0.428 1131TIP3 OH240241 2.349 4.144 -0.134 1131TIP3 H140242 2.284 4.178 -0.198 1131TIP3 H240243 2.427 4.134 -0.192 1131TIP3 OH240244 2.390 3.942 -0.416 1131TIP3 H140245 2.463 3.979 -0.363 1131TIP3 H240246 2.439 3.892 -0.483 1131TIP3 OH240247 3.102 4.056 0.691 1131TIP3 H140248 3.036 4.128 0.703 1131TIP3 H240249 3.153 4.094 0.616 1131TIP3 OH240250 2.721 4.141 -0.033 1131TIP3 H140251 2.655 4.162 0.036 1131TIP3 H240252 2.787 4.090 0.017 1131TIP3 OH240253 2.694 3.981 0.859 1131TIP3 H140254 2.697 4.058 0.917 1131TIP3 H240255 2.638 4.017 0.788 1131TIP3 OH240256 1.872 4.205 0.162 1131TIP3 H140257 1.853 4.181 0.069 1131TIP3 H240258 1.953 4.154 0.179 1131TIP3 OH240259 1.925 4.069 0.500 1131TIP3 H140260 1.984 4.074 0.422 1131TIP3 H240261 1.959 4.142 0.556 1131TIP3 OH240262 2.601 4.075 -0.269 1131TIP3 H140263 2.659 4.101 -0.194 1131TIP3 H240264 2.648 4.119 -0.345 1131TIP3 OH240265 1.713 4.148 0.887 1131TIP3 H140266 1.724 4.211 0.961 1131TIP3 H240267 1.616 4.139 0.886 1132TIP3 OH240268 2.951 3.247 -0.328 1132TIP3 H140269 2.865 3.258 -0.283 1132TIP3 H240270 2.988 3.337 -0.323 1132TIP3 OH240271 1.760 4.089 -0.088 1132TIP3 H140272 1.745 4.167 -0.146 1132TIP3 H240273 1.698 4.024 -0.125 1132TIP3 OH240274 1.353 4.308 0.789 1132TIP3 H140275 1.360 4.293 0.693 1132TIP3 H240276 1.390 4.225 0.825 1132TIP3 OH240277 2.893 3.838 1.093 1132TIP3 H140278 2.842 3.876 1.020 1132TIP3 H240279 2.898 3.744 1.066 1132TIP3 OH240280 1.909 3.347 0.483 1132TIP3 H140281 1.827 3.343 0.431 1132TIP3 H240282 1.889 3.422 0.541 1132TIP3 OH240283 2.346 3.305 0.846 1132TIP3 H140284 2.399 3.254 0.910 1132TIP3 H240285 2.256 3.272 0.860 1132TIP3 OH240286 2.664 3.685 0.900 1132TIP3 H140287 2.601 3.670 0.973 1132TIP3 H240288 2.654 3.781 0.882 1132TIP3 OH240289 2.740 4.177 -0.476 1132TIP3 H140290 2.735 4.158 -0.571 1132TIP3 H240291 2.829 4.215 -0.469 1132TIP3 OH240292 2.326 3.558 -0.427 1132TIP3 H140293 2.277 3.544 -0.345 1132TIP3 H240294 2.286 3.490 -0.484 1132TIP3 OH240295 1.895 3.824 0.626 1132TIP3 H140296 1.835 3.838 0.701 1132TIP3 H240297 1.904 3.914 0.588 1133TIP3 OH240298 1.890 3.834 0.111 1133TIP3 H140299 1.794 3.826 0.094 1133TIP3 H240300 1.924 3.816 0.021 1133TIP3 OH240301 2.450 3.899 -0.009 1133TIP3 H140302 2.404 3.975 -0.049 1133TIP3 H240303 2.518 3.879 -0.076 1133TIP3 OH240304 2.370 3.921 1.133 1133TIP3 H140305 2.319 3.843 1.165 1133TIP3 H240306 2.458 3.904 1.170 1133TIP3 OH240307 2.533 3.830 0.266 1133TIP3 H140308 2.506 3.885 0.190 1133TIP3 H240309 2.559 3.749 0.218 1133TIP3 OH240310 1.634 3.841 0.803 1133TIP3 H140311 1.655 3.878 0.889 1133TIP3 H240312 1.598 3.754 0.827 1133TIP3 OH240313 1.970 3.603 -0.536 1133TIP3 H140314 1.934 3.567 -0.453 1133TIP3 H240315 1.891 3.616 -0.590 1133TIP3 OH240316 1.314 3.591 0.171 1133TIP3 H140317 1.375 3.588 0.247 1133TIP3 H240318 1.365 3.552 0.099 1133TIP3 OH240319 1.473 3.634 -0.258 1133TIP3 H140320 1.527 3.682 -0.324 1133TIP3 H240321 1.403 3.699 -0.240 1133TIP3 OH240322 2.432 3.997 0.710 1133TIP3 H140323 2.486 3.930 0.662 1133TIP3 H240324 2.405 3.945 0.787 1133TIP3 OH240325 2.166 3.592 0.214 1133TIP3 H140326 2.071 3.591 0.237 1133TIP3 H240327 2.207 3.576 0.301 1134TIP3 OH240328 1.622 3.716 0.083 1134TIP3 H140329 1.541 3.744 0.035 1134TIP3 H240330 1.651 3.638 0.034 1134TIP3 OH240331 1.987 3.751 -0.150 1134TIP3 H140332 2.083 3.759 -0.146 1134TIP3 H240333 1.962 3.810 -0.224 1134TIP3 OH240334 2.605 3.507 0.516 1134TIP3 H140335 2.541 3.508 0.591 1134TIP3 H240336 2.547 3.474 0.445 1134TIP3 OH240337 1.830 3.876 -0.372 1134TIP3 H140338 1.774 3.844 -0.445 1134TIP3 H240339 1.912 3.897 -0.420 1134TIP3 OH240340 1.724 4.316 1.094 1134TIP3 H140341 1.780 4.364 1.158 1134TIP3 H240342 1.643 4.304 1.148 1134TIP3 OH240343 2.266 3.848 0.395 1134TIP3 H140344 2.343 3.809 0.352 1134TIP3 H240345 2.253 3.789 0.472 1134TIP3 OH240346 1.799 3.489 0.015 1134TIP3 H140347 1.743 3.411 0.028 1134TIP3 H240348 1.877 3.452 -0.027 1134TIP3 OH240349 2.165 3.693 0.621 1134TIP3 H140350 2.088 3.753 0.622 1134TIP3 H240351 2.215 3.721 0.700 1134TIP3 OH240352 2.130 4.365 -0.160 1134TIP3 H140353 2.099 4.302 -0.227 1134TIP3 H240354 2.193 4.317 -0.106 1134TIP3 OH240355 2.926 4.266 0.678 1134TIP3 H140356 2.951 4.312 0.596 1134TIP3 H240357 2.831 4.256 0.659 1135TIP3 OH240358 2.595 3.615 -0.411 1135TIP3 H140359 2.497 3.614 -0.416 1135TIP3 H240360 2.614 3.689 -0.350 1135TIP3 OH240361 2.663 3.798 -0.204 1135TIP3 H140362 2.751 3.781 -0.166 1135TIP3 H240363 2.675 3.884 -0.247 1135TIP3 OH240364 1.719 4.247 0.380 1135TIP3 H140365 1.779 4.239 0.303 1135TIP3 H240366 1.733 4.162 0.424 1135TIP3 OH240367 1.427 4.080 0.915 1135TIP3 H140368 1.436 4.043 1.005 1135TIP3 H240369 1.352 4.030 0.878 1135TIP3 OH240370 2.115 4.049 1.120 1135TIP3 H140371 2.081 4.028 1.031 1135TIP3 H240372 2.209 4.028 1.110 1135TIP3 OH240373 3.120 3.798 -0.230 1135TIP3 H140374 3.067 3.777 -0.310 1135TIP3 H240375 3.134 3.893 -0.247 1135TIP3 OH240376 2.668 4.181 0.546 1135TIP3 H140377 2.577 4.182 0.513 1135TIP3 H240378 2.716 4.134 0.475 1135TIP3 OH240379 1.523 4.095 -0.429 1135TIP3 H140380 1.582 4.155 -0.381 1135TIP3 H240381 1.438 4.112 -0.383 1135TIP3 OH240382 1.549 3.565 0.882 1135TIP3 H140383 1.459 3.590 0.856 1135TIP3 H240384 1.535 3.477 0.923 1135TIP3 OH240385 1.699 -4.387 -0.244 1135TIP3 H140386 1.609 -4.352 -0.229 1135TIP3 H240387 1.746 -4.306 -0.268 1136TIP3 OH240388 2.447 3.549 0.736 1136TIP3 H140389 2.508 3.576 0.805 1136TIP3 H240390 2.398 3.475 0.777 1136TIP3 OH240391 2.509 3.493 -0.138 1136TIP3 H140392 2.528 3.544 -0.218 1136TIP3 H240393 2.557 3.543 -0.070 1136TIP3 OH240394 2.253 3.692 -0.044 1136TIP3 H140395 2.329 3.751 -0.029 1136TIP3 H240396 2.223 3.676 0.048 1136TIP3 OH240397 2.292 3.791 0.874 1136TIP3 H140398 2.296 3.840 0.957 1136TIP3 H240399 2.340 3.711 0.896 1136TIP3 OH240400 2.310 3.393 0.051 1136TIP3 H140401 2.289 3.463 0.115 1136TIP3 H240402 2.383 3.434 0.000 1136TIP3 OH240403 1.883 3.494 -0.297 1136TIP3 H140404 1.886 3.571 -0.237 1136TIP3 H240405 1.965 3.447 -0.270 1136TIP3 OH240406 2.917 3.584 0.961 1136TIP3 H140407 2.821 3.597 0.946 1136TIP3 H240408 2.942 3.562 0.870 1136TIP3 OH240409 2.769 3.967 0.356 1136TIP3 H140410 2.685 3.923 0.337 1136TIP3 H240411 2.816 3.899 0.409 1136TIP3 OH240412 1.536 3.800 -0.475 1136TIP3 H140413 1.551 3.895 -0.459 1136TIP3 H240414 1.452 3.801 -0.522 1136TIP3 OH240415 1.633 3.303 0.400 1136TIP3 H140416 1.613 3.302 0.304 1136TIP3 H240417 1.595 3.218 0.430 1137TIP3 OH240418 1.479 4.307 1.206 1137TIP3 H140419 1.458 4.212 1.210 1137TIP3 H240420 1.398 4.350 1.179 1137TIP3 OH240421 2.070 4.329 1.160 1137TIP3 H140422 2.071 4.346 1.063 1137TIP3 H240423 2.105 4.237 1.163 1137TIP3 OH240424 2.672 -4.376 0.934 1137TIP3 H140425 2.751 -4.332 0.899 1137TIP3 H240426 2.603 -4.311 0.913 1137TIP3 OH240427 1.537 4.024 1.178 1137TIP3 H140428 1.615 3.966 1.171 1137TIP3 H240429 1.539 4.045 1.273 1137TIP3 OH240430 1.995 4.161 -0.314 1137TIP3 H140431 1.930 4.119 -0.257 1137TIP3 H240432 2.010 4.092 -0.382 1137TIP3 OH240433 1.911 3.933 0.918 1137TIP3 H140434 1.853 4.010 0.935 1137TIP3 H240435 1.973 3.970 0.853 1137TIP3 OH240436 2.078 3.957 -0.487 1137TIP3 H140437 2.076 3.971 -0.584 1137TIP3 H240438 2.174 3.956 -0.470 1137TIP3 OH240439 2.440 4.216 1.273 1137TIP3 H140440 2.526 4.194 1.236 1137TIP3 H240441 2.404 4.130 1.297 1137TIP3 OH240442 3.007 4.189 -0.565 1137TIP3 H140443 3.003 4.181 -0.661 1137TIP3 H240444 3.012 4.285 -0.549 1137TIP3 OH240445 1.967 3.664 1.029 1137TIP3 H140446 1.973 3.598 0.958 1137TIP3 H240447 1.946 3.745 0.980 1138TIP3 OH240448 2.000 3.509 0.773 1138TIP3 H140449 2.052 3.563 0.711 1138TIP3 H240450 1.909 3.515 0.738 1138TIP3 OH240451 2.150 4.066 0.805 1138TIP3 H140452 2.234 4.055 0.758 1138TIP3 H240453 2.115 4.148 0.765 1138TIP3 OH240454 2.614 3.849 1.293 1138TIP3 H140455 2.634 3.755 1.305 1138TIP3 H240456 2.703 3.887 1.287 1138TIP3 OH240457 2.709 4.137 1.129 1138TIP3 H140458 2.685 4.208 1.065 1138TIP3 H240459 2.800 4.118 1.099 1138TIP3 OH240460 1.781 3.851 1.208 1138TIP3 H140461 1.731 3.767 1.208 1138TIP3 H240462 1.864 3.825 1.165 1138TIP3 OH240463 2.072 3.243 0.809 1138TIP3 H140464 2.056 3.338 0.793 1138TIP3 H240465 2.000 3.203 0.756 1138TIP3 OH240466 2.200 3.701 1.188 1138TIP3 H140467 2.164 3.681 1.276 1138TIP3 H240468 2.120 3.682 1.134 1138TIP3 OH240469 2.451 3.607 1.075 1138TIP3 H140470 2.363 3.612 1.117 1138TIP3 H240471 2.497 3.543 1.133 1138TIP3 OH240472 2.639 3.454 1.248 1138TIP3 H140473 2.621 3.359 1.263 1138TIP3 H240474 2.618 3.494 1.334 1138TIP3 OH240475 1.654 3.594 1.193 1138TIP3 H140476 1.646 3.524 1.126 1138TIP3 H240477 1.631 3.546 1.275 1139TIP3 OH240478 2.056 3.192 1.091 1139TIP3 H140479 2.115 3.115 1.097 1139TIP3 H240480 2.054 3.207 0.995 1139TIP3 OH240481 2.150 3.379 1.277 1139TIP3 H140482 2.119 3.319 1.205 1139TIP3 H240483 2.082 3.447 1.279 1139TIP3 OH240484 3.089 4.361 -0.127 1139TIP3 H140485 3.184 4.362 -0.141 1139TIP3 H240486 3.073 4.279 -0.079 1139TIP3 OH240487 3.125 4.134 0.039 1139TIP3 H140488 3.049 4.088 0.079 1139TIP3 H240489 3.184 4.150 0.115 1139TIP3 OH240490 3.139 4.091 -0.305 1139TIP3 H140491 3.080 4.115 -0.379 1139TIP3 H240492 3.130 4.168 -0.248 1139TIP3 OH240493 2.970 3.844 -0.476 1139TIP3 H140494 2.992 3.906 -0.547 1139TIP3 H240495 2.947 3.762 -0.524 1139TIP3 OH240496 2.899 3.966 0.113 1139TIP3 H140497 2.898 3.870 0.099 1139TIP3 H240498 2.864 3.973 0.204 1139TIP3 OH240499 1.386 4.188 0.511 1139TIP3 H140500 1.396 4.203 0.416 1139TIP3 H240501 1.477 4.160 0.536 1139TIP3 OH240502 2.985 4.161 1.036 1139TIP3 H140503 3.058 4.101 1.062 1139TIP3 H240504 3.029 4.244 1.010 1139TIP3 OH240505 3.128 3.965 1.151 1139TIP3 H140506 3.047 3.913 1.133 1139TIP3 H240507 3.196 3.895 1.155 1140TIP3 OH240508 2.915 3.580 -0.554 1140TIP3 H140509 2.976 3.529 -0.498 1140TIP3 H240510 2.837 3.523 -0.562 1140TIP3 OH240511 2.898 3.706 -0.060 1140TIP3 H140512 2.923 3.611 -0.055 1140TIP3 H240513 2.978 3.743 -0.101 1140TIP3 OH240514 2.920 3.766 0.482 1140TIP3 H140515 3.017 3.779 0.480 1140TIP3 H240516 2.905 3.771 0.578 1140TIP3 OH240517 2.938 3.837 0.766 1140TIP3 H140518 2.851 3.875 0.789 1140TIP3 H240519 2.988 3.918 0.741 1140TIP3 OH240520 1.385 3.716 1.133 1140TIP3 H140521 1.478 3.690 1.135 1140TIP3 H240522 1.341 3.629 1.139 1140TIP3 OH240523 3.194 3.253 1.294 1140TIP3 H140524 3.234 3.184 1.239 1140TIP3 H240525 3.196 3.330 1.234 1140TIP3 OH240526 2.944 3.427 -0.064 1140TIP3 H140527 2.957 3.395 0.027 1140TIP3 H240528 2.864 3.378 -0.091 1140TIP3 OH240529 1.463 3.547 0.412 1140TIP3 H140530 1.509 3.462 0.420 1140TIP3 H240531 1.531 3.608 0.446 1140TIP3 OH240532 1.317 3.815 0.518 1140TIP3 H140533 1.377 3.812 0.441 1140TIP3 H240534 1.350 3.893 0.564 1140TIP3 OH240535 3.131 3.458 1.118 1140TIP3 H140536 3.043 3.500 1.122 1140TIP3 H240537 3.119 3.403 1.039 1141TIP3 OH240538 3.142 3.475 -0.396 1141TIP3 H140539 3.173 3.396 -0.443 1141TIP3 H240540 3.223 3.530 -0.393 1141TIP3 OH240541 1.367 3.448 -0.079 1141TIP3 H140542 1.272 3.453 -0.099 1141TIP3 H240543 1.407 3.509 -0.144 1141TIP3 OH240544 1.371 3.337 0.737 1141TIP3 H140545 1.301 3.309 0.797 1141TIP3 H240546 1.321 3.389 0.671 1141TIP3 OH240547 3.017 3.280 0.916 1141TIP3 H140548 2.937 3.301 0.865 1141TIP3 H240549 3.039 3.191 0.883 1141TIP3 OH240550 2.360 3.428 0.365 1141TIP3 H140551 2.290 3.361 0.375 1141TIP3 H240552 2.420 3.384 0.302 1141TIP3 OH240553 2.855 3.232 0.409 1141TIP3 H140554 2.931 3.276 0.368 1141TIP3 H240555 2.781 3.263 0.353 1141TIP3 OH240556 3.062 3.342 0.195 1141TIP3 H140557 3.134 3.300 0.144 1141TIP3 H240558 3.095 3.434 0.204 1141TIP3 OH240559 1.594 3.302 0.119 1141TIP3 H140560 1.508 3.290 0.074 1141TIP3 H240561 1.635 3.215 0.103 1141TIP3 OH240562 1.477 3.250 -0.294 1141TIP3 H140563 1.528 3.316 -0.345 1141TIP3 H240564 1.436 3.305 -0.225 1141TIP3 OH240565 2.043 3.272 0.102 1141TIP3 H140566 2.131 3.310 0.090 1141TIP3 H240567 2.038 3.268 0.198 1142TIP3 OH240568 2.601 3.288 0.246 1142TIP3 H140569 2.629 3.274 0.154 1142TIP3 H240570 2.564 3.202 0.270 1142TIP3 OH240571 2.712 3.288 -0.152 1142TIP3 H140572 2.630 3.339 -0.169 1142TIP3 H240573 2.677 3.197 -0.145 1142TIP3 OH240574 1.647 3.432 -0.450 1142TIP3 H140575 1.708 3.376 -0.502 1142TIP3 H240576 1.707 3.465 -0.381 1142TIP3 OH240577 2.156 3.450 -0.188 1142TIP3 H140578 2.194 3.394 -0.118 1142TIP3 H240579 2.177 3.538 -0.153 1142TIP3 OH240580 1.575 3.324 1.071 1142TIP3 H140581 1.535 3.243 1.106 1142TIP3 H240582 1.667 3.312 1.098 1142TIP3 OH240583 1.813 3.263 1.244 1142TIP3 H140584 1.895 3.228 1.204 1142TIP3 H240585 1.778 3.184 1.288 1142TIP3 OH240586 2.626 3.174 1.261 1142TIP3 H140587 2.629 3.133 1.349 1142TIP3 H240588 2.720 3.171 1.235 1142TIP3 OH240589 4.199 4.097 0.478 1142TIP3 H140590 4.280 4.132 0.518 1142TIP3 H240591 4.225 4.086 0.386 1142TIP3 OH240592 3.507 4.083 0.615 1142TIP3 H140593 3.507 4.007 0.677 1142TIP3 H240594 3.584 4.132 0.647 1142TIP3 OH240595 3.277 3.885 0.010 1142TIP3 H140596 3.234 3.972 0.012 1142TIP3 H240597 3.211 3.832 -0.036 1143TIP3 OH240598 3.374 4.136 0.195 1143TIP3 H140599 3.372 4.054 0.249 1143TIP3 H240600 3.451 4.118 0.140 1143TIP3 OH240601 3.746 3.607 0.268 1143TIP3 H140602 3.758 3.692 0.221 1143TIP3 H240603 3.711 3.553 0.193 1143TIP3 OH240604 3.410 3.877 0.318 1143TIP3 H140605 3.474 3.830 0.373 1143TIP3 H240606 3.420 3.830 0.233 1143TIP3 OH240607 3.953 4.015 0.268 1143TIP3 H140608 4.026 3.959 0.301 1143TIP3 H240609 3.901 3.950 0.218 1143TIP3 OH240610 3.624 3.484 0.683 1143TIP3 H140611 3.584 3.533 0.610 1143TIP3 H240612 3.557 3.499 0.753 1143TIP3 OH240613 3.894 4.263 0.667 1143TIP3 H140614 3.814 4.318 0.666 1143TIP3 H240615 3.962 4.331 0.655 1143TIP3 OH240616 3.584 3.688 0.477 1143TIP3 H140617 3.649 3.746 0.522 1143TIP3 H240618 3.641 3.653 0.405 1143TIP3 OH240619 4.043 3.231 0.398 1143TIP3 H140620 4.015 3.138 0.395 1143TIP3 H240621 3.963 3.274 0.434 1143TIP3 OH240622 4.263 4.123 -0.137 1143TIP3 H140623 4.194 4.185 -0.166 1143TIP3 H240624 4.329 4.138 -0.204 1143TIP3 OH240625 4.274 3.931 -0.400 1143TIP3 H140626 4.359 3.973 -0.384 1143TIP3 H240627 4.272 3.913 -0.494 1144TIP3 OH240628 3.755 4.203 0.161 1144TIP3 H140629 3.737 4.177 0.069 1144TIP3 H240630 3.837 4.153 0.180 1144TIP3 OH240631 3.810 4.069 0.501 1144TIP3 H140632 3.872 4.069 0.424 1144TIP3 H240633 3.847 4.141 0.557 1144TIP3 OH240634 3.599 4.145 0.888 1144TIP3 H140635 3.610 4.210 0.962 1144TIP3 H240636 3.502 4.139 0.885 1144TIP3 OH240637 3.643 4.092 -0.086 1144TIP3 H140638 3.635 4.166 -0.150 1144TIP3 H240639 3.596 4.022 -0.131 1144TIP3 OH240640 3.244 4.309 0.789 1144TIP3 H140641 3.244 4.292 0.694 1144TIP3 H240642 3.276 4.224 0.825 1144TIP3 OH240643 3.797 3.347 0.482 1144TIP3 H140644 3.716 3.340 0.429 1144TIP3 H240645 3.774 3.422 0.539 1144TIP3 OH240646 4.233 3.283 0.909 1144TIP3 H140647 4.244 3.211 0.971 1144TIP3 H240648 4.141 3.267 0.877 1144TIP3 OH240649 4.240 3.555 -0.418 1144TIP3 H140650 4.168 3.553 -0.353 1144TIP3 H240651 4.202 3.496 -0.486 1144TIP3 OH240652 3.781 3.825 0.627 1144TIP3 H140653 3.716 3.839 0.698 1144TIP3 H240654 3.789 3.915 0.588 1144TIP3 OH240655 3.776 3.832 0.108 1144TIP3 H140656 3.680 3.826 0.093 1144TIP3 H240657 3.808 3.822 0.016 1145TIP3 OH240658 4.282 3.870 0.030 1145TIP3 H140659 4.260 3.962 0.006 1145TIP3 H240660 4.315 3.835 -0.052 1145TIP3 OH240661 4.256 3.923 1.177 1145TIP3 H140662 4.196 3.845 1.169 1145TIP3 H240663 4.340 3.879 1.155 1145TIP3 OH240664 3.522 3.841 0.803 1145TIP3 H140665 3.538 3.879 0.890 1145TIP3 H240666 3.484 3.754 0.826 1145TIP3 OH240667 3.869 3.573 -0.540 1145TIP3 H140668 3.816 3.555 -0.460 1145TIP3 H240669 3.812 3.638 -0.585 1145TIP3 OH240670 3.198 3.588 0.173 1145TIP3 H140671 3.261 3.588 0.247 1145TIP3 H240672 3.249 3.554 0.098 1145TIP3 OH240673 3.363 3.635 -0.250 1145TIP3 H140674 3.411 3.677 -0.325 1145TIP3 H240675 3.290 3.698 -0.241 1145TIP3 OH240676 4.351 3.969 0.749 1145TIP3 H140677 4.380 3.904 0.682 1145TIP3 H240678 4.270 3.925 0.781 1145TIP3 OH240679 4.049 3.576 0.219 1145TIP3 H140680 3.954 3.585 0.239 1145TIP3 H240681 4.088 3.589 0.307 1145TIP3 OH240682 3.505 3.715 0.084 1145TIP3 H140683 3.428 3.744 0.033 1145TIP3 H240684 3.538 3.638 0.034 1145TIP3 OH240685 3.861 3.762 -0.168 1145TIP3 H140686 3.957 3.772 -0.162 1145TIP3 H240687 3.838 3.817 -0.246 1146TIP3 OH240688 3.610 4.317 1.094 1146TIP3 H140689 3.666 4.365 1.157 1146TIP3 H240690 3.529 4.304 1.148 1146TIP3 OH240691 4.144 3.824 0.356 1146TIP3 H140692 4.217 3.782 0.309 1146TIP3 H240693 4.165 3.803 0.449 1146TIP3 OH240694 3.685 3.489 0.020 1146TIP3 H140695 3.627 3.412 0.027 1146TIP3 H240696 3.757 3.455 -0.035 1146TIP3 OH240697 4.050 3.685 0.623 1146TIP3 H140698 3.979 3.749 0.611 1146TIP3 H240699 4.102 3.725 0.694 1146TIP3 OH240700 4.076 4.349 -0.169 1146TIP3 H140701 4.010 4.299 -0.223 1146TIP3 H240702 4.053 4.323 -0.079 1146TIP3 OH240703 3.609 4.251 0.383 1146TIP3 H140704 3.666 4.241 0.303 1146TIP3 H240705 3.617 4.164 0.423 1146TIP3 OH240706 3.312 4.079 0.915 1146TIP3 H140707 3.319 4.042 1.005 1146TIP3 H240708 3.237 4.031 0.877 1146TIP3 OH240709 4.001 4.047 1.124 1146TIP3 H140710 3.966 4.023 1.037 1146TIP3 H240711 4.096 4.035 1.112 1146TIP3 OH240712 3.396 4.106 -0.439 1146TIP3 H140713 3.472 4.137 -0.386 1146TIP3 H240714 3.322 4.119 -0.378 1146TIP3 OH240715 3.435 3.566 0.884 1146TIP3 H140716 3.344 3.590 0.855 1146TIP3 H240717 3.420 3.477 0.921 1147TIP3 OH240718 3.589 -4.383 -0.242 1147TIP3 H140719 3.496 -4.355 -0.231 1147TIP3 H240720 3.629 -4.300 -0.271 1147TIP3 OH240721 4.334 3.592 0.793 1147TIP3 H140722 4.384 3.514 0.818 1147TIP3 H240723 4.275 3.555 0.725 1147TIP3 OH240724 4.119 3.667 -0.043 1147TIP3 H140725 4.179 3.740 -0.017 1147TIP3 H240726 4.082 3.648 0.045 1147TIP3 OH240727 4.167 3.788 0.874 1147TIP3 H140728 4.188 3.833 0.956 1147TIP3 H240729 4.233 3.716 0.871 1147TIP3 OH240730 4.196 3.388 0.078 1147TIP3 H140731 4.166 3.469 0.126 1147TIP3 H240732 4.270 3.423 0.025 1147TIP3 OH240733 3.763 3.493 -0.291 1147TIP3 H140734 3.769 3.579 -0.244 1147TIP3 H240735 3.850 3.453 -0.274 1147TIP3 OH240736 3.389 3.784 -0.478 1147TIP3 H140737 3.453 3.858 -0.475 1147TIP3 H240738 3.308 3.827 -0.507 1147TIP3 OH240739 3.516 3.304 0.401 1147TIP3 H140740 3.499 3.303 0.304 1147TIP3 H240741 3.482 3.218 0.430 1147TIP3 OH240742 3.366 4.306 1.206 1147TIP3 H140743 3.344 4.211 1.208 1147TIP3 H240744 3.285 4.350 1.180 1147TIP3 OH240745 3.957 4.332 1.162 1147TIP3 H140746 3.955 4.347 1.065 1147TIP3 H240747 3.996 4.242 1.167 1148TIP3 OH240748 3.423 4.024 1.178 1148TIP3 H140749 3.500 3.966 1.171 1148TIP3 H240750 3.424 4.045 1.273 1148TIP3 OH240751 3.903 4.162 -0.299 1148TIP3 H140752 3.827 4.123 -0.254 1148TIP3 H240753 3.897 4.110 -0.381 1148TIP3 OH240754 3.800 3.937 0.923 1148TIP3 H140755 3.739 4.012 0.934 1148TIP3 H240756 3.853 3.967 0.848 1148TIP3 OH240757 4.280 4.196 1.281 1148TIP3 H140758 4.346 4.175 1.215 1148TIP3 H240759 4.251 4.108 1.306 1148TIP3 OH240760 3.858 3.664 1.032 1148TIP3 H140761 3.862 3.599 0.959 1148TIP3 H240762 3.839 3.746 0.983 1148TIP3 OH240763 3.887 3.510 0.773 1148TIP3 H140764 3.936 3.567 0.710 1148TIP3 H240765 3.795 3.513 0.738 1148TIP3 OH240766 4.060 4.064 0.799 1148TIP3 H140767 4.131 4.059 0.733 1148TIP3 H240768 4.014 4.144 0.771 1148TIP3 OH240769 3.669 3.849 1.211 1148TIP3 H140770 3.618 3.766 1.207 1148TIP3 H240771 3.750 3.825 1.164 1148TIP3 OH240772 3.971 3.248 0.811 1148TIP3 H140773 3.947 3.341 0.792 1148TIP3 H240774 3.906 3.201 0.755 1148TIP3 OH240775 4.104 3.692 1.183 1148TIP3 H140776 4.065 3.672 1.269 1148TIP3 H240777 4.029 3.671 1.124 1149TIP3 OH240778 3.540 3.594 1.192 1149TIP3 H140779 3.531 3.525 1.125 1149TIP3 H240780 3.516 3.546 1.274 1149TIP3 OH240781 3.945 3.194 1.092 1149TIP3 H140782 4.005 3.118 1.096 1149TIP3 H240783 3.941 3.210 0.996 1149TIP3 OH240784 4.035 3.373 1.288 1149TIP3 H140785 4.008 3.319 1.211 1149TIP3 H240786 3.973 3.448 1.282 1149TIP3 OH240787 3.272 4.188 0.511 1149TIP3 H140788 3.281 4.202 0.416 1149TIP3 H240789 3.362 4.160 0.536 1149TIP3 OH240790 3.271 3.716 1.136 1149TIP3 H140791 3.364 3.689 1.133 1149TIP3 H240792 3.226 3.630 1.139 1149TIP3 OH240793 3.348 3.547 0.414 1149TIP3 H140794 3.395 3.462 0.419 1149TIP3 H240795 3.418 3.607 0.446 1149TIP3 OH240796 3.203 3.815 0.519 1149TIP3 H140797 3.261 3.811 0.442 1149TIP3 H240798 3.236 3.894 0.563 1149TIP3 OH240799 3.253 3.448 -0.078 1149TIP3 H140800 3.158 3.454 -0.100 1149TIP3 H240801 3.294 3.509 -0.142 1149TIP3 OH240802 3.257 3.338 0.738 1149TIP3 H140803 3.185 3.310 0.796 1149TIP3 H240804 3.208 3.389 0.671 1149TIP3 OH240805 4.268 3.393 0.367 1149TIP3 H140806 4.182 3.348 0.378 1149TIP3 H240807 4.293 3.363 0.280 1150TIP3 OH240808 3.479 3.300 0.121 1150TIP3 H140809 3.394 3.289 0.074 1150TIP3 H240810 3.522 3.214 0.103 1150TIP3 OH240811 3.365 3.249 -0.293 1150TIP3 H140812 3.415 3.314 -0.347 1150TIP3 H240813 3.322 3.306 -0.228 1150TIP3 OH240814 3.935 3.281 0.107 1150TIP3 H140815 4.027 3.313 0.100 1150TIP3 H240816 3.927 3.273 0.203 1150TIP3 OH240817 3.528 3.428 -0.448 1150TIP3 H140818 3.591 3.385 -0.509 1150TIP3 H240819 3.589 3.469 -0.384 1150TIP3 OH240820 4.067 3.447 -0.194 1150TIP3 H140821 4.062 3.388 -0.118 1150TIP3 H240822 4.063 3.534 -0.151 1150TIP3 OH240823 3.460 3.325 1.072 1150TIP3 H140824 3.420 3.242 1.106 1150TIP3 H240825 3.553 3.312 1.096 1150TIP3 OH240826 3.700 3.264 1.246 1150TIP3 H140827 3.782 3.229 1.206 1150TIP3 H240828 3.664 3.183 1.286 1150TIP3 OH240829 -3.160 -3.366 2.030 1150TIP3 H140830 -3.161 -3.270 2.039 1150TIP3 H240831 -3.237 -3.380 1.972 1150TIP3 OH240832 -3.276 -3.422 2.337 1150TIP3 H140833 -3.276 -3.480 2.415 1150TIP3 H240834 -3.302 -3.483 2.267 1150TIP3 OH240835 -4.029 -3.464 2.501 1150TIP3 H140836 -4.032 -3.537 2.565 1150TIP3 H240837 -3.959 -3.409 2.539 1151TIP3 OH240838 -2.907 -3.149 2.169 1151TIP3 H140839 -2.944 -3.220 2.222 1151TIP3 H240840 -2.878 -3.087 2.237 1151TIP3 OH240841 -3.959 -3.002 2.353 1151TIP3 H140842 -3.987 -3.092 2.326 1151TIP3 H240843 -3.865 -3.017 2.370 1151TIP3 OH240844 -4.169 -3.561 1.837 1151TIP3 H140845 -4.218 -3.496 1.890 1151TIP3 H240846 -4.220 -3.640 1.860 1151TIP3 OH240847 -4.211 -3.413 2.079 1151TIP3 H140848 -4.187 -3.489 2.134 1151TIP3 H240849 -4.126 -3.386 2.042 1151TIP3 OH240850 -3.200 -2.613 2.226 1151TIP3 H140851 -3.142 -2.683 2.192 1151TIP3 H240852 -3.228 -2.649 2.311 1151TIP3 OH240853 -3.426 -3.171 2.394 1151TIP3 H140854 -3.394 -3.243 2.336 1151TIP3 H240855 -3.344 -3.156 2.445 1151TIP3 OH240856 -2.571 -4.016 2.450 1151TIP3 H140857 -2.537 -3.973 2.529 1151TIP3 H240858 -2.506 -3.988 2.384 1151TIP3 OH240859 -3.099 -3.740 2.445 1151TIP3 H140860 -3.078 -3.835 2.447 1151TIP3 H240861 -3.106 -3.724 2.350 1151TIP3 OH240862 -3.802 -3.941 2.155 1151TIP3 H140863 -3.784 -3.856 2.110 1151TIP3 H240864 -3.832 -3.995 2.080 1151TIP3 OH240865 -3.011 -3.920 1.989 1151TIP3 H140866 -2.950 -3.965 2.051 1151TIP3 H240867 -2.948 -3.878 1.929 1152TIP3 OH240868 -4.139 -3.660 2.204 1152TIP3 H140869 -4.081 -3.704 2.269 1152TIP3 H240870 -4.122 -3.714 2.125 1152TIP3 OH240871 -3.593 -3.526 2.149 1152TIP3 H140872 -3.522 -3.580 2.187 1152TIP3 H240873 -3.643 -3.593 2.099 1152TIP3 OH240874 -2.477 -3.848 2.715 1152TIP3 H140875 -2.553 -3.797 2.682 1152TIP3 H240876 -2.513 -3.889 2.793 1152TIP3 OH240877 -3.917 -4.051 2.575 1152TIP3 H140878 -3.957 -4.009 2.497 1152TIP3 H240879 -3.987 -4.036 2.641 1152TIP3 OH240880 -3.171 -3.082 1.909 1152TIP3 H140881 -3.200 -3.104 1.820 1152TIP3 H240882 -3.216 -2.998 1.926 1152TIP3 OH240883 -3.625 -3.270 2.581 1152TIP3 H140884 -3.698 -3.209 2.606 1152TIP3 H240885 -3.563 -3.210 2.535 1152TIP3 OH240886 -2.824 -4.013 2.190 1152TIP3 H140887 -2.871 -4.060 2.260 1152TIP3 H240888 -2.771 -3.950 2.242 1152TIP3 OH240889 -3.959 -3.850 2.362 1152TIP3 H140890 -3.893 -3.792 2.406 1152TIP3 H240891 -3.903 -3.888 2.290 1152TIP3 OH240892 -3.827 -3.083 2.655 1152TIP3 H140893 -3.830 -2.992 2.620 1152TIP3 H240894 -3.916 -3.089 2.694 1152TIP3 OH240895 -4.183 -3.119 1.744 1152TIP3 H140896 -4.263 -3.101 1.692 1152TIP3 H240897 -4.193 -3.059 1.819 1153TIP3 OH240898 -2.851 -2.967 2.420 1153TIP3 H140899 -2.948 -2.955 2.420 1153TIP3 H240900 -2.823 -2.882 2.381 1153TIP3 OH240901 -2.808 -4.110 2.591 1153TIP3 H140902 -2.888 -4.078 2.547 1153TIP3 H240903 -2.741 -4.097 2.521 1153TIP3 OH240904 -3.496 4.382 2.298 1153TIP3 H140905 -3.501 4.286 2.303 1153TIP3 H240906 -3.586 4.412 2.323 1153TIP3 OH240907 -3.020 -2.774 2.078 1153TIP3 H140908 -2.972 -2.853 2.045 1153TIP3 H240909 -2.953 -2.704 2.063 1153TIP3 OH240910 -2.877 -2.987 1.939 1153TIP3 H140911 -2.925 -3.033 1.868 1153TIP3 H240912 -2.882 -3.052 2.011 1153TIP3 OH240913 -2.723 -3.104 2.785 1153TIP3 H140914 -2.732 -3.170 2.714 1153TIP3 H240915 -2.708 -3.022 2.736 1153TIP3 OH240916 -3.296 -3.414 1.756 1153TIP3 H140917 -3.362 -3.354 1.717 1153TIP3 H240918 -3.224 -3.410 1.691 1153TIP3 OH240919 -3.267 -3.596 1.462 1153TIP3 H140920 -3.197 -3.565 1.522 1153TIP3 H240921 -3.215 -3.653 1.403 1153TIP3 OH240922 -2.546 -3.488 2.580 1153TIP3 H140923 -2.618 -3.422 2.588 1153TIP3 H240924 -2.498 -3.454 2.502 1153TIP3 OH240925 -2.944 -3.414 1.864 1153TIP3 H140926 -3.012 -3.393 1.931 1153TIP3 H240927 -2.884 -3.471 1.916 1154TIP3 OH240928 -2.960 -3.562 2.747 1154TIP3 H140929 -2.954 -3.480 2.799 1154TIP3 H240930 -3.025 -3.532 2.680 1154TIP3 OH240931 -3.783 -3.336 2.040 1154TIP3 H140932 -3.815 -3.380 1.959 1154TIP3 H240933 -3.718 -3.401 2.073 1154TIP3 OH240934 -3.648 -2.998 2.316 1154TIP3 H140935 -3.659 -3.034 2.227 1154TIP3 H240936 -3.568 -3.044 2.346 1154TIP3 OH240937 -3.727 -3.455 2.390 1154TIP3 H140938 -3.670 -3.454 2.310 1154TIP3 H240939 -3.685 -3.389 2.448 1154TIP3 OH240940 -3.134 -2.904 2.448 1154TIP3 H140941 -3.128 -2.838 2.520 1154TIP3 H240942 -3.154 -2.987 2.494 1154TIP3 OH240943 -3.642 -3.023 2.874 1154TIP3 H140944 -3.696 -2.957 2.920 1154TIP3 H240945 -3.704 -3.052 2.804 1154TIP3 OH240946 -3.049 -3.470 1.610 1154TIP3 H140947 -3.001 -3.443 1.691 1154TIP3 H240948 -2.999 -3.420 1.541 1154TIP3 OH240949 -3.956 -3.390 2.789 1154TIP3 H140950 -3.948 -3.330 2.866 1154TIP3 H240951 -4.052 -3.394 2.778 1154TIP3 OH240952 -3.303 -2.810 1.966 1154TIP3 H140953 -3.256 -2.780 2.044 1154TIP3 H240954 -3.352 -2.731 1.938 1154TIP3 OH240955 -3.835 -2.807 2.960 1154TIP3 H140956 -3.841 -2.801 2.862 1154TIP3 H240957 -3.927 -2.827 2.985 1155TIP3 OH240958 -2.730 -4.303 1.534 1155TIP3 H140959 -2.765 -4.324 1.621 1155TIP3 H240960 -2.647 -4.261 1.558 1155TIP3 OH240961 -3.891 -3.465 1.792 1155TIP3 H140962 -3.917 -3.389 1.738 1155TIP3 H240963 -3.971 -3.521 1.785 1155TIP3 OH240964 -2.568 -2.883 1.415 1155TIP3 H140965 -2.552 -2.788 1.436 1155TIP3 H240966 -2.481 -2.922 1.433 1155TIP3 OH240967 -4.267 -3.181 2.647 1155TIP3 H140968 -4.286 -3.214 2.558 1155TIP3 H240969 -4.306 -3.250 2.702 1155TIP3 OH240970 -4.281 -2.900 2.343 1155TIP3 H140971 -4.197 -2.944 2.362 1155TIP3 H240972 -4.299 -2.853 2.425 1155TIP3 OH240973 -2.444 -2.842 2.938 1155TIP3 H140974 -2.454 -2.937 2.920 1155TIP3 H240975 -2.535 -2.819 2.968 1155TIP3 OH240976 -3.378 -2.919 2.818 1155TIP3 H140977 -3.372 -2.838 2.872 1155TIP3 H240978 -3.469 -2.949 2.838 1155TIP3 OH240979 -3.352 -2.537 1.814 1155TIP3 H140980 -3.348 -2.530 1.717 1155TIP3 H240981 -3.342 -2.446 1.844 1155TIP3 OH240982 -3.978 -2.624 1.978 1155TIP3 H140983 -3.954 -2.666 2.063 1155TIP3 H240984 -4.055 -2.678 1.955 1155TIP3 OH240985 -3.019 -2.595 1.533 1155TIP3 H140986 -2.961 -2.660 1.488 1155TIP3 H240987 -3.023 -2.635 1.623 1156TIP3 OH240988 -3.080 -2.653 1.814 1156TIP3 H140989 -3.176 -2.641 1.827 1156TIP3 H240990 -3.063 -2.726 1.876 1156TIP3 OH240991 -2.764 -3.708 2.977 1156TIP3 H140992 -2.813 -3.669 2.904 1156TIP3 H240993 -2.756 -3.801 2.948 1156TIP3 OH240994 -4.072 -3.040 2.796 1156TIP3 H140995 -4.042 -3.099 2.867 1156TIP3 H240996 -4.147 -3.090 2.756 1156TIP3 OH240997 -3.753 -4.221 2.383 1156TIP3 H140998 -3.839 -4.230 2.341 1156TIP3 H240999 -3.764 -4.135 2.427 1156TIP3 OH241000 -3.290 -4.261 2.741 1156TIP3 H141001 -3.271 -4.310 2.822 1156TIP3 H241002 -3.385 -4.278 2.730 1156TIP3 OH241003 -2.994 -3.864 2.782 1156TIP3 H141004 -3.052 -3.875 2.860 1156TIP3 H241005 -2.999 -3.768 2.764 1156TIP3 OH241006 -2.893 -3.363 1.410 1156TIP3 H141007 -2.914 -3.380 1.316 1156TIP3 H241008 -2.799 -3.338 1.403 1156TIP3 OH241009 -3.330 -3.993 1.455 1156TIP3 H141010 -3.383 -4.004 1.536 1156TIP3 H241011 -3.378 -4.054 1.396 1156TIP3 OH241012 -3.760 -3.714 2.509 1156TIP3 H141013 -3.822 -3.704 2.584 1156TIP3 H241014 -3.755 -3.624 2.473 1156TIP3 OH241015 -3.769 -3.709 1.998 1156TIP3 H141016 -3.865 -3.715 1.980 1156TIP3 H241017 -3.733 -3.726 1.909 1157TIP3 OH241018 -3.205 -3.651 1.875 1157TIP3 H141019 -3.247 -3.569 1.841 1157TIP3 H241020 -3.138 -3.668 1.806 1157TIP3 OH241021 -3.288 -3.630 3.011 1157TIP3 H141022 -3.338 -3.707 3.046 1157TIP3 H241023 -3.200 -3.644 3.051 1157TIP3 OH241024 -3.121 -3.711 2.153 1157TIP3 H141025 -3.150 -3.654 2.079 1157TIP3 H241026 -3.099 -3.792 2.102 1157TIP3 OH241027 -4.025 -3.697 2.692 1157TIP3 H141028 -3.996 -3.664 2.778 1157TIP3 H241029 -4.052 -3.789 2.715 1157TIP3 OH241030 -3.689 -3.940 1.351 1157TIP3 H141031 -3.724 -3.979 1.434 1157TIP3 H241032 -3.769 -3.927 1.298 1157TIP3 OH241033 -4.325 -3.942 2.057 1157TIP3 H141034 -4.305 -3.969 2.149 1157TIP3 H241035 -4.288 -4.014 2.005 1157TIP3 OH241036 -4.214 -3.882 1.645 1157TIP3 H141037 -4.152 -3.861 1.572 1157TIP3 H241038 -4.298 -3.863 1.602 1157TIP3 OH241039 -3.211 -3.543 2.599 1157TIP3 H141040 -3.168 -3.616 2.548 1157TIP3 H241041 -3.244 -3.591 2.676 1157TIP3 OH241042 -3.490 -3.940 2.098 1157TIP3 H141043 -3.583 -3.960 2.117 1157TIP3 H241044 -3.446 -3.972 2.178 1157TIP3 OH241045 -4.038 -3.824 1.965 1157TIP3 H141046 -4.122 -3.819 1.917 1157TIP3 H241047 -4.000 -3.907 1.929 1158TIP3 OH241048 -3.672 -3.791 1.737 1158TIP3 H141049 -3.575 -3.785 1.741 1158TIP3 H241050 -3.696 -3.731 1.665 1158TIP3 OH241051 -3.056 -4.033 2.402 1158TIP3 H141052 -3.120 -4.035 2.476 1158TIP3 H241053 -3.113 -4.063 2.329 1158TIP3 OH241054 -3.825 -3.669 1.511 1158TIP3 H141055 -3.882 -3.699 1.439 1158TIP3 H241056 -3.743 -3.648 1.463 1158TIP3 OH241057 -2.751 -2.454 3.069 1158TIP3 H141058 -2.727 -2.412 2.984 1158TIP3 H241059 -2.677 -2.428 3.126 1158TIP3 OH241060 -3.950 -3.196 3.013 1158TIP3 H141061 -3.890 -3.188 3.089 1158TIP3 H241062 -4.036 -3.187 3.058 1158TIP3 OH241063 -3.388 -3.693 2.283 1158TIP3 H141064 -3.317 -3.737 2.234 1158TIP3 H241065 -3.405 -3.757 2.356 1158TIP3 OH241066 -3.880 -4.061 1.905 1158TIP3 H141067 -3.921 -4.148 1.918 1158TIP3 H241068 -3.794 -4.084 1.867 1158TIP3 OH241069 -3.493 -3.849 2.508 1158TIP3 H141070 -3.568 -3.788 2.507 1158TIP3 H241071 -3.443 -3.823 2.588 1158TIP3 OH241072 -3.480 -3.207 1.696 1158TIP3 H141073 -3.555 -3.260 1.661 1158TIP3 H241074 -3.497 -3.205 1.792 1158TIP3 OH241075 -2.756 -3.293 2.570 1158TIP3 H141076 -2.705 -3.239 2.505 1158TIP3 H241077 -2.841 -3.305 2.524 1159TIP3 OH241078 -3.062 -3.932 1.460 1159TIP3 H141079 -3.160 -3.938 1.461 1159TIP3 H241080 -3.043 -3.862 1.525 1159TIP3 OH241081 -3.313 -3.208 2.829 1159TIP3 H141082 -3.343 -3.241 2.914 1159TIP3 H241083 -3.344 -3.116 2.829 1159TIP3 OH241084 -2.996 -3.749 1.674 1159TIP3 H141085 -2.909 -3.763 1.716 1159TIP3 H241086 -2.985 -3.660 1.635 1159TIP3 OH241087 -3.973 -3.275 2.270 1159TIP3 H141088 -3.909 -3.285 2.197 1159TIP3 H241089 -3.961 -3.359 2.318 1159TIP3 OH241090 -3.238 -3.073 1.589 1159TIP3 H141091 -3.264 -2.987 1.628 1159TIP3 H241092 -3.313 -3.129 1.616 1159TIP3 OH241093 -4.239 -3.425 2.833 1159TIP3 H141094 -4.231 -3.491 2.904 1159TIP3 H241095 -4.287 -3.476 2.764 1159TIP3 OH241096 -3.540 -3.491 3.004 1159TIP3 H141097 -3.576 -3.517 2.917 1159TIP3 H241098 -3.448 -3.521 2.994 1159TIP3 OH241099 -3.087 -2.948 2.776 1159TIP3 H141100 -3.183 -2.941 2.770 1159TIP3 H241101 -3.071 -2.924 2.869 1159TIP3 OH241102 -2.533 -3.746 1.652 1159TIP3 H141103 -2.591 -3.766 1.576 1159TIP3 H241104 -2.524 -3.650 1.639 1159TIP3 OH241105 -2.489 -3.140 2.933 1159TIP3 H141106 -2.583 -3.119 2.914 1159TIP3 H241107 -2.456 -3.158 2.843 1160TIP3 OH241108 -2.715 -2.884 1.663 1160TIP3 H141109 -2.734 -2.963 1.715 1160TIP3 H241110 -2.661 -2.918 1.590 1160TIP3 OH241111 -2.990 -3.350 2.401 1160TIP3 H141112 -3.083 -3.366 2.376 1160TIP3 H241113 -2.946 -3.422 2.352 1160TIP3 OH241114 -3.727 -2.941 2.007 1160TIP3 H141115 -3.685 -2.855 1.992 1160TIP3 H241116 -3.819 -2.924 1.980 1160TIP3 OH241117 -4.155 -3.447 1.475 1160TIP3 H141118 -4.081 -3.395 1.514 1160TIP3 H241119 -4.228 -3.387 1.492 1160TIP3 OH241120 -3.543 -3.173 1.968 1160TIP3 H141121 -3.573 -3.082 1.982 1160TIP3 H241122 -3.614 -3.223 2.009 1160TIP3 OH241123 -3.526 -2.746 2.603 1160TIP3 H141124 -3.470 -2.673 2.572 1160TIP3 H241125 -3.463 -2.798 2.655 1160TIP3 OH241126 -3.681 -2.652 1.927 1160TIP3 H141127 -3.777 -2.638 1.933 1160TIP3 H241128 -3.646 -2.564 1.949 1160TIP3 OH241129 -3.185 -3.171 2.559 1160TIP3 H141130 -3.214 -3.201 2.647 1160TIP3 H241131 -3.112 -3.233 2.540 1160TIP3 OH241132 -2.969 -3.042 1.451 1160TIP3 H141133 -2.926 -3.087 1.526 1160TIP3 H241134 -3.062 -3.056 1.476 1160TIP3 OH241135 -2.893 -2.713 2.800 1160TIP3 H141136 -2.967 -2.760 2.756 1160TIP3 H241137 -2.881 -2.635 2.742 1161TIP3 OH241138 -2.495 -2.615 1.505 1161TIP3 H141139 -2.426 -2.552 1.480 1161TIP3 H241140 -2.572 -2.555 1.503 1161TIP3 OH241141 -4.107 -3.960 2.770 1161TIP3 H141142 -4.196 -3.927 2.754 1161TIP3 H241143 -4.125 -4.048 2.811 1161TIP3 OH241144 -2.872 -3.179 1.691 1161TIP3 H141145 -2.899 -3.253 1.749 1161TIP3 H241146 -2.775 -3.183 1.697 1161TIP3 OH241147 -4.128 -2.799 2.611 1161TIP3 H141148 -4.109 -2.894 2.620 1161TIP3 H241149 -4.095 -2.766 2.695 1161TIP3 OH241150 -3.545 -2.936 1.308 1161TIP3 H141151 -3.515 -3.014 1.258 1161TIP3 H241152 -3.587 -2.978 1.385 1161TIP3 OH241153 -3.664 -2.986 1.581 1161TIP3 H141154 -3.610 -3.039 1.642 1161TIP3 H241155 -3.647 -2.894 1.613 1161TIP3 OH241156 -3.987 -3.244 1.612 1161TIP3 H141157 -4.057 -3.203 1.670 1161TIP3 H241158 -3.937 -3.164 1.590 1161TIP3 OH241159 -3.217 -4.006 2.632 1161TIP3 H141160 -3.151 -3.981 2.698 1161TIP3 H241161 -3.251 -4.091 2.665 1161TIP3 OH241162 -3.139 -4.056 1.745 1161TIP3 H141163 -3.128 -3.998 1.668 1161TIP3 H241164 -3.099 -4.002 1.816 1161TIP3 OH241165 -3.365 -2.821 1.643 1161TIP3 H141166 -3.447 -2.773 1.659 1161TIP3 H241167 -3.329 -2.776 1.565 1162TIP3 OH241168 -3.403 -3.851 1.844 1162TIP3 H141169 -3.329 -3.789 1.858 1162TIP3 H241170 -3.432 -3.867 1.937 1162TIP3 OH241171 -3.370 -3.761 2.757 1162TIP3 H141172 -3.360 -3.710 2.839 1162TIP3 H241173 -3.313 -3.837 2.773 1162TIP3 OH241174 -3.331 -4.174 1.943 1162TIP3 H141175 -3.364 -4.099 1.996 1162TIP3 H241176 -3.275 -4.128 1.878 1162TIP3 OH241177 -3.645 -2.715 1.642 1162TIP3 H141178 -3.652 -2.634 1.588 1162TIP3 H241179 -3.657 -2.680 1.732 1162TIP3 OH241180 -3.776 -4.050 1.597 1162TIP3 H141181 -3.771 -3.967 1.647 1162TIP3 H241182 -3.688 -4.087 1.618 1162TIP3 OH241183 -2.731 -3.963 2.839 1162TIP3 H141184 -2.828 -3.952 2.829 1162TIP3 H241185 -2.710 -3.989 2.748 1162TIP3 OH241186 -2.890 -3.573 2.250 1162TIP3 H141187 -2.971 -3.619 2.221 1162TIP3 H241188 -2.841 -3.645 2.295 1162TIP3 OH241189 -3.931 -2.957 1.495 1162TIP3 H141190 -3.854 -2.915 1.537 1162TIP3 H241191 -3.886 -3.014 1.431 1162TIP3 OH241192 -4.118 -3.749 1.415 1162TIP3 H141193 -4.106 -3.654 1.430 1162TIP3 H241194 -4.191 -3.753 1.353 1162TIP3 OH241195 -2.789 -2.688 2.389 1162TIP3 H141196 -2.805 -2.607 2.336 1162TIP3 H241197 -2.695 -2.675 2.412 1163TIP3 OH241198 -4.075 -4.237 2.307 1163TIP3 H141199 -4.060 -4.257 2.214 1163TIP3 H241200 -4.112 -4.321 2.338 1163TIP3 OH241201 -4.134 -2.876 1.914 1163TIP3 H141202 -4.227 -2.848 1.918 1163TIP3 H241203 -4.106 -2.841 1.829 1163TIP3 OH241204 -4.214 -2.604 3.032 1163TIP3 H141205 -4.152 -2.605 3.107 1163TIP3 H241206 -4.218 -2.700 3.017 1163TIP3 OH241207 -3.689 -2.689 3.225 1163TIP3 H141208 -3.647 -2.777 3.224 1163TIP3 H241209 -3.740 -2.694 3.143 1163TIP3 OH241210 -3.323 -2.767 1.360 1163TIP3 H141211 -3.397 -2.829 1.348 1163TIP3 H241212 -3.250 -2.819 1.321 1163TIP3 OH241213 -3.090 -2.853 3.075 1163TIP3 H141214 -3.126 -2.938 3.106 1163TIP3 H241215 -3.013 -2.842 3.133 1163TIP3 OH241216 -2.861 -2.775 1.370 1163TIP3 H141217 -2.843 -2.856 1.419 1163TIP3 H241218 -2.783 -2.769 1.311 1163TIP3 OH241219 -4.198 -3.201 3.093 1163TIP3 H141220 -4.191 -3.290 3.058 1163TIP3 H241221 -4.286 -3.174 3.063 1163TIP3 OH241222 -3.781 -3.194 1.342 1163TIP3 H141223 -3.761 -3.252 1.418 1163TIP3 H241224 -3.695 -3.196 1.295 1163TIP3 OH241225 -3.542 -3.215 3.076 1163TIP3 H141226 -3.569 -3.183 2.988 1163TIP3 H241227 -3.530 -3.311 3.060 1164TIP3 OH241228 -3.259 -3.061 1.304 1164TIP3 H141229 -3.260 -3.065 1.401 1164TIP3 H241230 -3.261 -3.157 1.282 1164TIP3 OH241231 -3.001 -3.254 2.814 1164TIP3 H141232 -2.922 -3.201 2.793 1164TIP3 H241233 -3.071 -3.186 2.810 1164TIP3 OH241234 -4.135 -3.530 3.073 1164TIP3 H141235 -4.054 -3.584 3.062 1164TIP3 H241236 -4.124 -3.500 3.165 1164TIP3 OH241237 -3.674 -3.384 1.575 1164TIP3 H141238 -3.734 -3.436 1.632 1164TIP3 H241239 -3.642 -3.452 1.513 1164TIP3 OH241240 -3.750 -3.608 2.802 1164TIP3 H141241 -3.805 -3.529 2.818 1164TIP3 H241242 -3.685 -3.574 2.739 1164TIP3 OH241243 -3.576 -3.583 1.401 1164TIP3 H141244 -3.579 -3.574 1.304 1164TIP3 H241245 -3.480 -3.588 1.418 1164TIP3 OH241246 -3.218 -3.336 3.159 1164TIP3 H141247 -3.129 -3.355 3.125 1164TIP3 H241248 -3.244 -3.422 3.194 1164TIP3 OH241249 -2.625 -3.333 1.331 1164TIP3 H141250 -2.638 -3.372 1.243 1164TIP3 H241251 -2.634 -3.238 1.309 1164TIP3 OH241252 -3.693 -3.881 2.912 1164TIP3 H141253 -3.683 -3.945 2.840 1164TIP3 H241254 -3.711 -3.798 2.863 1164TIP3 OH241255 -3.651 -4.037 2.654 1164TIP3 H141256 -3.600 -3.981 2.592 1164TIP3 H241257 -3.743 -4.027 2.621 1165TIP3 OH241258 -3.501 -3.487 2.701 1165TIP3 H141259 -3.418 -3.496 2.652 1165TIP3 H241260 -3.533 -3.400 2.669 1165TIP3 OH241261 -3.045 -3.693 3.178 1165TIP3 H141262 -3.024 -3.786 3.194 1165TIP3 H241263 -2.955 -3.655 3.173 1165TIP3 OH241264 -2.948 -3.415 3.027 1165TIP3 H141265 -2.981 -3.353 2.958 1165TIP3 H241266 -2.858 -3.431 2.992 1165TIP3 OH241267 -3.879 -3.691 3.091 1165TIP3 H141268 -3.928 -3.775 3.093 1165TIP3 H241269 -3.797 -3.718 3.048 1165TIP3 OH241270 -3.606 -4.277 2.776 1165TIP3 H141271 -3.592 -4.187 2.740 1165TIP3 H241272 -3.700 -4.288 2.754 1165TIP3 OH241273 -3.457 -3.842 3.072 1165TIP3 H141274 -3.488 -3.872 3.159 1165TIP3 H241275 -3.538 -3.863 3.019 1165TIP3 OH241276 -3.197 -3.943 2.971 1165TIP3 H141277 -3.287 -3.932 3.007 1165TIP3 H241278 -3.160 -4.010 3.032 1165TIP3 OH241279 -3.026 -4.136 3.138 1165TIP3 H141280 -3.039 -4.224 3.176 1165TIP3 H241281 -3.039 -4.077 3.214 1165TIP3 OH241282 -4.003 -3.953 3.079 1165TIP3 H141283 -4.024 -4.020 3.012 1165TIP3 H241284 -4.039 -3.993 3.160 1165TIP3 OH241285 -3.494 -4.145 3.181 1165TIP3 H141286 -3.515 -4.229 3.135 1165TIP3 H241287 -3.581 -4.102 3.186 1166TIP3 OH241288 -3.600 -2.458 1.512 1166TIP3 H141289 -3.504 -2.450 1.523 1166TIP3 H241290 -3.611 -2.416 1.425 1166TIP3 OH241291 -4.199 -2.970 1.419 1166TIP3 H141292 -4.121 -2.976 1.478 1166TIP3 H241293 -4.217 -3.063 1.398 1166TIP3 OH241294 -4.275 -2.690 2.133 1166TIP3 H141295 -4.276 -2.780 2.170 1166TIP3 H241296 -4.242 -2.641 2.210 1166TIP3 OH241297 -2.516 -2.570 2.438 1166TIP3 H141298 -2.498 -2.576 2.533 1166TIP3 H241299 -2.430 -2.543 2.403 1166TIP3 OH241300 -2.527 -2.627 2.726 1166TIP3 H141301 -2.577 -2.703 2.689 1166TIP3 H241302 -2.470 -2.674 2.789 1166TIP3 OH241303 -2.727 -3.082 3.153 1166TIP3 H141304 -2.814 -3.075 3.197 1166TIP3 H241305 -2.681 -3.003 3.186 1166TIP3 OH241306 -2.587 -3.194 1.728 1166TIP3 H141307 -2.496 -3.162 1.743 1166TIP3 H241308 -2.594 -3.259 1.801 1166TIP3 OH241309 -2.541 -3.397 1.925 1166TIP3 H141310 -2.607 -3.455 1.968 1166TIP3 H241311 -2.472 -3.387 1.994 1166TIP3 OH241312 -2.568 -3.149 2.423 1166TIP3 H141313 -2.506 -3.198 2.367 1166TIP3 H241314 -2.553 -3.057 2.393 1166TIP3 OH241315 -2.696 -2.856 2.647 1166TIP3 H141316 -2.769 -2.818 2.697 1166TIP3 H241317 -2.741 -2.893 2.569 1167TIP3 OH241318 -2.515 -3.454 1.584 1167TIP3 H141319 -2.566 -3.427 1.505 1167TIP3 H241320 -2.528 -3.378 1.642 1167TIP3 OH241321 -2.688 -3.698 1.410 1167TIP3 H141322 -2.660 -3.640 1.337 1167TIP3 H241323 -2.714 -3.779 1.363 1167TIP3 OH241324 -2.746 -3.584 2.007 1167TIP3 H141325 -2.753 -3.679 1.988 1167TIP3 H241326 -2.785 -3.577 2.097 1167TIP3 OH241327 -4.256 -3.334 2.404 1167TIP3 H141328 -4.225 -3.315 2.313 1167TIP3 H241329 -4.176 -3.376 2.442 1167TIP3 OH241330 -2.686 -3.392 2.922 1167TIP3 H141331 -2.613 -3.455 2.938 1167TIP3 H241332 -2.640 -3.310 2.902 1167TIP3 OH241333 -2.531 -3.584 3.044 1167TIP3 H141334 -2.610 -3.637 3.020 1167TIP3 H241335 -2.461 -3.651 3.041 1167TIP3 OH241336 -2.750 -3.963 1.334 1167TIP3 H141337 -2.685 -4.015 1.384 1167TIP3 H241338 -2.827 -4.021 1.336 1167TIP3 OH241339 -2.763 -3.827 1.827 1167TIP3 H141340 -2.746 -3.924 1.832 1167TIP3 H241341 -2.681 -3.798 1.784 1167TIP3 OH241342 -2.738 -3.773 2.365 1167TIP3 H141343 -2.640 -3.768 2.363 1167TIP3 H241344 -2.751 -3.776 2.461 1167TIP3 OH241345 -2.723 -3.706 2.652 1167TIP3 H141346 -2.807 -3.664 2.676 1167TIP3 H241347 -2.667 -3.629 2.628 1168TIP3 OH241348 -4.282 -3.839 3.029 1168TIP3 H141349 -4.200 -3.881 3.003 1168TIP3 H241350 -4.346 -3.912 3.030 1168TIP3 OH241351 -2.506 -4.277 3.228 1168TIP3 H141352 -2.458 -4.357 3.205 1168TIP3 H241353 -2.504 -4.218 3.149 1168TIP3 OH241354 -2.734 -4.098 1.835 1168TIP3 H141355 -2.707 -4.152 1.912 1168TIP3 H241356 -2.793 -4.160 1.789 1168TIP3 OH241357 -4.193 -3.989 2.318 1168TIP3 H141358 -4.160 -4.081 2.328 1168TIP3 H241359 -4.114 -3.938 2.342 1168TIP3 OH241360 -4.332 -3.727 2.413 1168TIP3 H141361 -4.293 -3.778 2.340 1168TIP3 H241362 -4.314 -3.636 2.383 1168TIP3 OH241363 -2.527 -4.111 3.012 1168TIP3 H141364 -2.613 -4.064 3.020 1168TIP3 H241365 -2.537 -4.147 2.922 1168TIP3 OH241366 -2.514 -4.072 1.490 1168TIP3 H141367 -2.491 -4.150 1.437 1168TIP3 H241368 -2.434 -4.019 1.487 1168TIP3 OH241369 -4.314 -4.108 1.768 1168TIP3 H141370 -4.397 -4.078 1.729 1168TIP3 H241371 -4.254 -4.037 1.735 1168TIP3 OH241372 -2.828 -2.566 2.019 1168TIP3 H141373 -2.783 -2.591 1.936 1168TIP3 H241374 -2.754 -2.530 2.070 1168TIP3 OH241375 -4.283 -4.167 2.602 1168TIP3 H141376 -4.348 -4.214 2.659 1168TIP3 H241377 -4.326 -4.166 2.516 1169TIP3 OH241378 -4.117 -2.862 3.069 1169TIP3 H141379 -4.166 -2.924 3.015 1169TIP3 H241380 -4.134 -2.897 3.159 1169TIP3 OH241381 -3.802 -2.795 2.662 1169TIP3 H141382 -3.834 -2.713 2.621 1169TIP3 H241383 -3.706 -2.787 2.642 1169TIP3 OH241384 -3.354 -2.664 2.973 1169TIP3 H141385 -3.326 -2.693 3.061 1169TIP3 H241386 -3.272 -2.624 2.939 1169TIP3 OH241387 -3.128 -2.526 2.884 1169TIP3 H141388 -3.058 -2.587 2.856 1169TIP3 H241389 -3.092 -2.493 2.969 1169TIP3 OH241390 -2.665 -4.276 2.803 1169TIP3 H141391 -2.715 -4.214 2.747 1169TIP3 H241392 -2.644 -4.344 2.737 1169TIP3 OH241393 -4.069 -2.491 2.683 1169TIP3 H141394 -4.138 -2.443 2.634 1169TIP3 H241395 -4.103 -2.485 2.773 1169TIP3 OH241396 -3.818 -2.524 2.548 1169TIP3 H141397 -3.905 -2.506 2.588 1169TIP3 H241398 -3.815 -2.459 2.476 1169TIP3 OH241399 -3.342 -2.526 2.502 1169TIP3 H141400 -3.379 -2.483 2.422 1169TIP3 H241401 -3.332 -2.450 2.562 1169TIP3 OH241402 -3.108 -2.654 2.595 1169TIP3 H141403 -3.192 -2.618 2.559 1169TIP3 H241404 -3.050 -2.577 2.589 1169TIP3 OH241405 -2.856 -2.481 2.612 1169TIP3 H141406 -2.859 -2.386 2.589 1169TIP3 H241407 -2.826 -2.518 2.527 1170TIP3 OH241408 -4.124 -2.615 2.381 1170TIP3 H141409 -4.134 -2.662 2.466 1170TIP3 H241410 -4.050 -2.665 2.341 1170TIP3 OH241411 -3.911 -2.743 2.233 1170TIP3 H141412 -3.926 -2.836 2.258 1170TIP3 H241413 -3.819 -2.729 2.264 1170TIP3 OH241414 -3.630 -2.701 2.317 1170TIP3 H141415 -3.612 -2.793 2.293 1170TIP3 H241416 -3.624 -2.706 2.414 1170TIP3 OH241417 -3.300 -4.112 2.246 1170TIP3 H141418 -3.363 -4.182 2.274 1170TIP3 H241419 -3.240 -4.161 2.188 1170TIP3 OH241420 -2.772 -4.330 2.292 1170TIP3 H141421 -2.711 -4.290 2.227 1170TIP3 H241422 -2.859 -4.305 2.258 1170TIP3 OH241423 -2.577 -4.225 2.075 1170TIP3 H141424 -2.521 -4.248 2.000 1170TIP3 H241425 -2.558 -4.130 2.086 1170TIP3 OH241426 -4.074 -4.281 1.980 1170TIP3 H141427 -4.160 -4.316 1.954 1170TIP3 H241428 -4.027 -4.360 2.010 1170TIP3 OH241429 -4.206 -4.301 1.585 1170TIP3 H141430 -4.169 -4.234 1.525 1170TIP3 H241431 -4.259 -4.244 1.645 1170TIP3 OH241432 -3.614 -4.219 2.011 1170TIP3 H141433 -3.522 -4.234 1.984 1170TIP3 H241434 -3.634 -4.297 2.064 1170TIP3 OH241435 -3.060 -4.265 2.141 1170TIP3 H141436 -3.025 -4.261 2.051 1170TIP3 H241437 -3.072 -4.359 2.156 1171TIP3 OH241438 -2.953 -4.272 1.747 1171TIP3 H141439 -3.026 -4.214 1.716 1171TIP3 H241440 -2.988 -4.361 1.732 1171TIP3 OH241441 -4.189 -2.691 1.689 1171TIP3 H141442 -4.248 -2.712 1.615 1171TIP3 H241443 -4.182 -2.595 1.683 1171TIP3 OH241444 -4.010 -4.115 1.446 1171TIP3 H141445 -3.944 -4.156 1.388 1171TIP3 H241446 -3.950 -4.070 1.510 1171TIP3 OH241447 -3.493 -4.060 1.676 1171TIP3 H141448 -3.483 -4.143 1.727 1171TIP3 H241449 -3.470 -3.991 1.741 1171TIP3 OH241450 -3.296 -2.514 1.520 1171TIP3 H141451 -3.198 -2.511 1.515 1171TIP3 H241452 -3.314 -2.579 1.451 1171TIP3 OH241453 -2.647 -2.610 1.778 1171TIP3 H141454 -2.668 -2.695 1.735 1171TIP3 H241455 -2.645 -2.549 1.702 1171TIP3 OH241456 -4.116 -4.179 2.932 1171TIP3 H141457 -4.169 -4.250 2.974 1171TIP3 H241458 -4.034 -4.229 2.919 1171TIP3 OH241459 -3.808 -4.278 3.184 1171TIP3 H141460 -3.723 -4.305 3.143 1171TIP3 H241461 -3.828 -4.356 3.237 1171TIP3 OH241462 -4.012 -2.592 1.385 1171TIP3 H141463 -4.039 -2.576 1.477 1171TIP3 H241464 -3.941 -2.658 1.396 1171TIP3 OH241465 -2.697 -2.735 3.018 1171TIP3 H141466 -2.770 -2.754 2.956 1171TIP3 H241467 -2.712 -2.641 3.036 1172TIP3 OH241468 -1.275 -3.367 2.030 1172TIP3 H141469 -1.274 -3.271 2.041 1172TIP3 H241470 -1.352 -3.379 1.973 1172TIP3 OH241471 -1.388 -3.423 2.337 1172TIP3 H141472 -1.391 -3.480 2.415 1172TIP3 H241473 -1.417 -3.484 2.268 1172TIP3 OH241474 -2.141 -3.464 2.503 1172TIP3 H141475 -2.144 -3.539 2.566 1172TIP3 H241476 -2.071 -3.410 2.542 1172TIP3 OH241477 -1.022 -3.150 2.169 1172TIP3 H141478 -1.059 -3.219 2.225 1172TIP3 H241479 -0.993 -3.086 2.235 1172TIP3 OH241480 -2.077 -3.000 2.354 1172TIP3 H141481 -2.100 -3.092 2.329 1172TIP3 H241482 -1.984 -3.012 2.377 1172TIP3 OH241483 -2.377 -3.661 1.893 1172TIP3 H141484 -2.418 -3.573 1.901 1172TIP3 H241485 -2.449 -3.711 1.852 1172TIP3 OH241486 -2.296 -3.413 2.079 1172TIP3 H141487 -2.282 -3.497 2.127 1172TIP3 H241488 -2.213 -3.405 2.031 1172TIP3 OH241489 -1.321 -2.618 2.221 1172TIP3 H141490 -1.256 -2.685 2.194 1172TIP3 H241491 -1.342 -2.646 2.311 1172TIP3 OH241492 -1.541 -3.171 2.393 1172TIP3 H141493 -1.508 -3.243 2.336 1172TIP3 H241494 -1.460 -3.155 2.445 1172TIP3 OH241495 -0.680 -4.006 2.464 1172TIP3 H141496 -0.670 -3.922 2.512 1172TIP3 H241497 -0.616 -3.990 2.391 1173TIP3 OH241498 -1.211 -3.741 2.446 1173TIP3 H141499 -1.195 -3.837 2.445 1173TIP3 H241500 -1.221 -3.723 2.351 1173TIP3 OH241501 -1.916 -3.941 2.155 1173TIP3 H141502 -1.900 -3.856 2.109 1173TIP3 H241503 -1.949 -3.995 2.080 1173TIP3 OH241504 -1.125 -3.921 1.988 1173TIP3 H141505 -1.064 -3.965 2.050 1173TIP3 H241506 -1.063 -3.877 1.928 1173TIP3 OH241507 -2.244 -3.661 2.202 1173TIP3 H141508 -2.184 -3.711 2.260 1173TIP3 H241509 -2.238 -3.712 2.119 1173TIP3 OH241510 -1.706 -3.525 2.148 1173TIP3 H141511 -1.636 -3.580 2.187 1173TIP3 H241512 -1.757 -3.592 2.099 1173TIP3 OH241513 -2.034 -4.056 2.570 1173TIP3 H141514 -2.068 -4.001 2.497 1173TIP3 H241515 -2.101 -4.037 2.638 1173TIP3 OH241516 -1.288 -3.086 1.910 1173TIP3 H141517 -1.311 -3.103 1.818 1173TIP3 H241518 -1.329 -2.999 1.926 1173TIP3 OH241519 -1.740 -3.270 2.580 1173TIP3 H141520 -1.814 -3.210 2.606 1173TIP3 H241521 -1.678 -3.208 2.537 1173TIP3 OH241522 -0.934 -4.014 2.193 1173TIP3 H141523 -0.987 -4.060 2.259 1173TIP3 H241524 -0.890 -3.947 2.246 1173TIP3 OH241525 -2.074 -3.856 2.364 1173TIP3 H141526 -2.011 -3.795 2.408 1173TIP3 H241527 -2.017 -3.890 2.291 1174TIP3 OH241528 -1.942 -3.083 2.652 1174TIP3 H141529 -1.945 -2.990 2.623 1174TIP3 H241530 -2.028 -3.089 2.697 1174TIP3 OH241531 -2.310 -3.112 1.742 1174TIP3 H141532 -2.329 -3.063 1.660 1174TIP3 H241533 -2.294 -3.041 1.807 1174TIP3 OH241534 -0.965 -2.968 2.418 1174TIP3 H141535 -1.062 -2.954 2.420 1174TIP3 H241536 -0.935 -2.882 2.382 1174TIP3 OH241537 -0.925 -4.107 2.591 1174TIP3 H141538 -1.007 -4.080 2.545 1174TIP3 H241539 -0.859 -4.099 2.519 1174TIP3 OH241540 -1.611 4.381 2.296 1174TIP3 H141541 -1.618 4.285 2.302 1174TIP3 H241542 -1.699 4.413 2.324 1174TIP3 OH241543 -1.132 -2.774 2.076 1174TIP3 H141544 -1.083 -2.853 2.045 1174TIP3 H241545 -1.064 -2.705 2.066 1174TIP3 OH241546 -0.993 -2.987 1.939 1174TIP3 H141547 -1.037 -3.034 1.867 1174TIP3 H241548 -0.997 -3.053 2.011 1174TIP3 OH241549 -0.835 -3.108 2.786 1174TIP3 H141550 -0.846 -3.169 2.711 1174TIP3 H241551 -0.826 -3.022 2.741 1174TIP3 OH241552 -1.415 -3.411 1.754 1174TIP3 H141553 -1.479 -3.352 1.710 1174TIP3 H241554 -1.339 -3.407 1.693 1174TIP3 OH241555 -1.382 -3.597 1.462 1174TIP3 H141556 -1.313 -3.564 1.523 1174TIP3 H241557 -1.327 -3.651 1.402 1175TIP3 OH241558 -0.658 -3.487 2.580 1175TIP3 H141559 -0.733 -3.424 2.586 1175TIP3 H241560 -0.610 -3.450 2.503 1175TIP3 OH241561 -1.059 -3.416 1.864 1175TIP3 H141562 -1.127 -3.392 1.931 1175TIP3 H241563 -0.998 -3.470 1.916 1175TIP3 OH241564 -1.065 -3.568 2.744 1175TIP3 H141565 -1.064 -3.488 2.799 1175TIP3 H241566 -1.129 -3.538 2.677 1175TIP3 OH241567 -1.899 -3.337 2.040 1175TIP3 H141568 -1.930 -3.381 1.959 1175TIP3 H241569 -1.834 -3.401 2.075 1175TIP3 OH241570 -1.762 -2.996 2.315 1175TIP3 H141571 -1.773 -3.037 2.227 1175TIP3 H241572 -1.683 -3.043 2.349 1175TIP3 OH241573 -1.839 -3.458 2.390 1175TIP3 H141574 -1.782 -3.453 2.311 1175TIP3 H241575 -1.801 -3.389 2.448 1175TIP3 OH241576 -1.246 -2.905 2.448 1175TIP3 H141577 -1.244 -2.837 2.517 1175TIP3 H241578 -1.268 -2.987 2.496 1175TIP3 OH241579 -1.756 -3.025 2.873 1175TIP3 H141580 -1.806 -2.959 2.923 1175TIP3 H241581 -1.821 -3.050 2.805 1175TIP3 OH241582 -1.164 -3.470 1.610 1175TIP3 H141583 -1.116 -3.442 1.691 1175TIP3 H241584 -1.114 -3.420 1.541 1175TIP3 OH241585 -2.063 -3.384 2.785 1175TIP3 H141586 -2.058 -3.327 2.864 1175TIP3 H241587 -2.159 -3.398 2.778 1176TIP3 OH241588 -1.411 -2.804 1.960 1176TIP3 H141589 -1.368 -2.785 2.045 1176TIP3 H241590 -1.474 -2.732 1.951 1176TIP3 OH241591 -1.946 -2.806 2.955 1176TIP3 H141592 -1.958 -2.803 2.859 1176TIP3 H241593 -2.034 -2.834 2.988 1176TIP3 OH241594 -0.842 -4.324 1.533 1176TIP3 H141595 -0.886 -4.322 1.619 1176TIP3 H241596 -0.766 -4.267 1.552 1176TIP3 OH241597 -2.006 -3.465 1.792 1176TIP3 H141598 -2.028 -3.387 1.737 1176TIP3 H241599 -2.075 -3.527 1.767 1176TIP3 OH241600 -0.682 -2.882 1.417 1176TIP3 H141601 -0.666 -2.787 1.434 1176TIP3 H241602 -0.595 -2.921 1.435 1176TIP3 OH241603 -2.401 -3.196 2.668 1176TIP3 H141604 -2.444 -3.197 2.580 1176TIP3 H241605 -2.388 -3.291 2.684 1176TIP3 OH241606 -2.395 -2.903 2.360 1176TIP3 H141607 -2.303 -2.933 2.364 1176TIP3 H241608 -2.399 -2.843 2.436 1176TIP3 OH241609 -0.556 -2.842 2.941 1176TIP3 H141610 -0.568 -2.936 2.918 1176TIP3 H241611 -0.648 -2.817 2.966 1176TIP3 OH241612 -1.492 -2.919 2.817 1176TIP3 H141613 -1.484 -2.837 2.869 1176TIP3 H241614 -1.582 -2.949 2.841 1176TIP3 OH241615 -1.484 -2.513 1.763 1176TIP3 H141616 -1.400 -2.528 1.718 1176TIP3 H241617 -1.461 -2.445 1.829 1177TIP3 OH241618 -2.080 -2.626 1.975 1177TIP3 H141619 -2.065 -2.669 2.061 1177TIP3 H241620 -2.165 -2.665 1.948 1177TIP3 OH241621 -1.177 -2.610 1.536 1177TIP3 H141622 -1.119 -2.666 1.480 1177TIP3 H241623 -1.153 -2.641 1.625 1177TIP3 OH241624 -1.193 -2.653 1.819 1177TIP3 H141625 -1.287 -2.657 1.841 1177TIP3 H241626 -1.161 -2.723 1.879 1177TIP3 OH241627 -0.873 -3.708 2.974 1177TIP3 H141628 -0.935 -3.662 2.914 1177TIP3 H241629 -0.887 -3.800 2.949 1177TIP3 OH241630 -2.182 -3.040 2.792 1177TIP3 H141631 -2.155 -3.087 2.873 1177TIP3 H241632 -2.255 -3.096 2.758 1177TIP3 OH241633 -1.860 -4.220 2.384 1177TIP3 H141634 -1.941 -4.246 2.338 1177TIP3 H241635 -1.888 -4.137 2.425 1177TIP3 OH241636 -1.403 -4.264 2.741 1177TIP3 H141637 -1.389 -4.308 2.825 1177TIP3 H241638 -1.498 -4.277 2.728 1177TIP3 OH241639 -1.092 -3.859 2.792 1177TIP3 H141640 -1.162 -3.876 2.857 1177TIP3 H241641 -1.110 -3.767 2.764 1177TIP3 OH241642 -1.009 -3.365 1.410 1177TIP3 H141643 -1.028 -3.379 1.315 1177TIP3 H241644 -0.916 -3.336 1.404 1177TIP3 OH241645 -1.448 -3.987 1.449 1177TIP3 H141646 -1.497 -4.000 1.532 1177TIP3 H241647 -1.496 -4.052 1.393 1178TIP3 OH241648 -1.876 -3.716 2.509 1178TIP3 H141649 -1.934 -3.703 2.586 1178TIP3 H241650 -1.868 -3.625 2.473 1178TIP3 OH241651 -1.882 -3.709 1.997 1178TIP3 H141652 -1.978 -3.719 1.982 1178TIP3 H241653 -1.848 -3.727 1.908 1178TIP3 OH241654 -1.321 -3.650 1.873 1178TIP3 H141655 -1.363 -3.568 1.841 1178TIP3 H241656 -1.253 -3.665 1.805 1178TIP3 OH241657 -1.396 -3.636 3.006 1178TIP3 H141658 -1.452 -3.705 3.047 1178TIP3 H241659 -1.313 -3.646 3.056 1178TIP3 OH241660 -1.235 -3.711 2.152 1178TIP3 H141661 -1.265 -3.653 2.080 1178TIP3 H241662 -1.214 -3.792 2.101 1178TIP3 OH241663 -2.140 -3.696 2.692 1178TIP3 H141664 -2.112 -3.669 2.780 1178TIP3 H241665 -2.180 -3.784 2.710 1178TIP3 OH241666 -1.823 -3.932 1.340 1178TIP3 H141667 -1.833 -3.970 1.430 1178TIP3 H241668 -1.911 -3.945 1.303 1178TIP3 OH241669 -2.459 -3.952 2.056 1178TIP3 H141670 -2.401 -3.958 2.135 1178TIP3 H241671 -2.407 -3.995 1.986 1178TIP3 OH241672 -2.299 -3.908 1.630 1178TIP3 H141673 -2.245 -3.861 1.564 1178TIP3 H241674 -2.371 -3.845 1.645 1178TIP3 OH241675 -1.321 -3.544 2.602 1178TIP3 H141676 -1.281 -3.618 2.551 1178TIP3 H241677 -1.359 -3.591 2.678 1179TIP3 OH241678 -1.604 -3.944 2.096 1179TIP3 H141679 -1.698 -3.959 2.117 1179TIP3 H241680 -1.562 -3.972 2.179 1179TIP3 OH241681 -2.146 -3.825 1.966 1179TIP3 H141682 -2.230 -3.800 1.922 1179TIP3 H241683 -2.122 -3.908 1.921 1179TIP3 OH241684 -1.787 -3.789 1.730 1179TIP3 H141685 -1.691 -3.785 1.740 1179TIP3 H241686 -1.806 -3.721 1.663 1179TIP3 OH241687 -1.169 -4.034 2.401 1179TIP3 H141688 -1.233 -4.034 2.476 1179TIP3 H241689 -1.228 -4.064 2.330 1179TIP3 OH241690 -1.943 -3.663 1.494 1179TIP3 H141691 -1.997 -3.716 1.434 1179TIP3 H241692 -1.857 -3.659 1.449 1179TIP3 OH241693 -0.866 -2.457 3.068 1179TIP3 H141694 -0.843 -2.412 2.984 1179TIP3 H241695 -0.795 -2.425 3.126 1179TIP3 OH241696 -2.075 -3.195 3.010 1179TIP3 H141697 -2.007 -3.187 3.080 1179TIP3 H241698 -2.155 -3.196 3.066 1179TIP3 OH241699 -1.503 -3.694 2.283 1179TIP3 H141700 -1.432 -3.739 2.235 1179TIP3 H241701 -1.520 -3.756 2.356 1179TIP3 OH241702 -1.988 -4.066 1.904 1179TIP3 H141703 -2.038 -4.149 1.915 1179TIP3 H241704 -1.904 -4.097 1.868 1179TIP3 OH241705 -1.606 -3.849 2.509 1179TIP3 H141706 -1.682 -3.789 2.507 1179TIP3 H241707 -1.557 -3.820 2.589 1180TIP3 OH241708 -1.602 -3.198 1.691 1180TIP3 H141709 -1.674 -3.257 1.659 1180TIP3 H241710 -1.615 -3.200 1.788 1180TIP3 OH241711 -0.868 -3.295 2.570 1180TIP3 H141712 -0.819 -3.238 2.506 1180TIP3 H241713 -0.954 -3.304 2.525 1180TIP3 OH241714 -1.177 -3.934 1.461 1180TIP3 H141715 -1.275 -3.936 1.461 1180TIP3 H241716 -1.157 -3.862 1.524 1180TIP3 OH241717 -1.429 -3.209 2.828 1180TIP3 H141718 -1.457 -3.240 2.915 1180TIP3 H241719 -1.458 -3.116 2.829 1180TIP3 OH241720 -1.110 -3.749 1.673 1180TIP3 H141721 -1.023 -3.762 1.715 1180TIP3 H241722 -1.101 -3.660 1.635 1180TIP3 OH241723 -2.077 -3.270 2.279 1180TIP3 H141724 -2.022 -3.282 2.200 1180TIP3 H241725 -2.069 -3.356 2.322 1180TIP3 OH241726 -1.355 -3.069 1.591 1180TIP3 H141727 -1.382 -2.983 1.630 1180TIP3 H241728 -1.431 -3.125 1.616 1180TIP3 OH241729 -2.354 -3.443 2.806 1180TIP3 H141730 -2.336 -3.488 2.891 1180TIP3 H241731 -2.412 -3.506 2.759 1180TIP3 OH241732 -1.655 -3.493 3.003 1180TIP3 H141733 -1.689 -3.518 2.915 1180TIP3 H241734 -1.561 -3.517 2.994 1180TIP3 OH241735 -1.202 -2.952 2.776 1180TIP3 H141736 -1.298 -2.941 2.770 1180TIP3 H241737 -1.185 -2.924 2.868 1181TIP3 OH241738 -0.649 -3.745 1.654 1181TIP3 H141739 -0.704 -3.764 1.576 1181TIP3 H241740 -0.637 -3.649 1.639 1181TIP3 OH241741 -0.604 -3.148 2.932 1181TIP3 H141742 -0.697 -3.123 2.914 1181TIP3 H241743 -0.570 -3.157 2.841 1181TIP3 OH241744 -0.838 -2.889 1.658 1181TIP3 H141745 -0.842 -2.966 1.717 1181TIP3 H241746 -0.775 -2.916 1.590 1181TIP3 OH241747 -1.103 -3.350 2.401 1181TIP3 H141748 -1.197 -3.364 2.377 1181TIP3 H241749 -1.060 -3.422 2.351 1181TIP3 OH241750 -1.838 -2.937 2.000 1181TIP3 H141751 -1.797 -2.850 1.983 1181TIP3 H241752 -1.931 -2.917 1.981 1181TIP3 OH241753 -2.242 -3.465 1.469 1181TIP3 H141754 -2.185 -3.395 1.505 1181TIP3 H241755 -2.330 -3.435 1.498 1181TIP3 OH241756 -1.658 -3.171 1.968 1181TIP3 H141757 -1.690 -3.080 1.982 1181TIP3 H241758 -1.728 -3.222 2.010 1181TIP3 OH241759 -1.641 -2.747 2.602 1181TIP3 H141760 -1.585 -2.672 2.575 1181TIP3 H241761 -1.580 -2.796 2.658 1181TIP3 OH241762 -1.792 -2.665 1.899 1181TIP3 H141763 -1.887 -2.647 1.900 1181TIP3 H241764 -1.756 -2.578 1.922 1181TIP3 OH241765 -1.301 -3.173 2.558 1181TIP3 H141766 -1.329 -3.199 2.648 1181TIP3 H241767 -1.226 -3.233 2.543 1182TIP3 OH241768 -1.085 -3.040 1.449 1182TIP3 H141769 -1.038 -3.081 1.524 1182TIP3 H241770 -1.176 -3.054 1.479 1182TIP3 OH241771 -1.005 -2.715 2.797 1182TIP3 H141772 -1.081 -2.759 2.755 1182TIP3 H241773 -0.995 -2.635 2.743 1182TIP3 OH241774 -0.609 -2.614 1.503 1182TIP3 H141775 -0.539 -2.549 1.484 1182TIP3 H241776 -0.686 -2.553 1.504 1182TIP3 OH241777 -2.219 -3.961 2.763 1182TIP3 H141778 -2.310 -3.943 2.733 1182TIP3 H241779 -2.235 -4.047 2.808 1182TIP3 OH241780 -0.989 -3.181 1.691 1182TIP3 H141781 -1.011 -3.255 1.750 1182TIP3 H241782 -0.891 -3.181 1.695 1182TIP3 OH241783 -2.245 -2.803 2.607 1182TIP3 H141784 -2.215 -2.893 2.622 1182TIP3 H241785 -2.222 -2.762 2.691 1182TIP3 OH241786 -1.657 -2.929 1.311 1182TIP3 H141787 -1.622 -3.002 1.256 1182TIP3 H241788 -1.696 -2.977 1.385 1182TIP3 OH241789 -1.773 -2.953 1.596 1182TIP3 H141790 -1.727 -3.027 1.637 1182TIP3 H241791 -1.745 -2.880 1.651 1182TIP3 OH241792 -2.089 -3.240 1.621 1182TIP3 H141793 -2.164 -3.203 1.672 1182TIP3 H241794 -2.048 -3.158 1.588 1182TIP3 OH241795 -1.324 -4.009 2.629 1182TIP3 H141796 -1.270 -3.983 2.704 1182TIP3 H241797 -1.367 -4.090 2.662 1183TIP3 OH241798 -1.250 -4.056 1.745 1183TIP3 H141799 -1.241 -3.998 1.668 1183TIP3 H241800 -1.214 -4.001 1.816 1183TIP3 OH241801 -1.487 -2.819 1.646 1183TIP3 H141802 -1.557 -2.757 1.668 1183TIP3 H241803 -1.444 -2.778 1.569 1183TIP3 OH241804 -1.521 -3.849 1.845 1183TIP3 H141805 -1.445 -3.788 1.858 1183TIP3 H241806 -1.548 -3.866 1.937 1183TIP3 OH241807 -1.480 -3.760 2.756 1183TIP3 H141808 -1.476 -3.709 2.839 1183TIP3 H241809 -1.427 -3.837 2.778 1183TIP3 OH241810 -1.441 -4.173 1.949 1183TIP3 H141811 -1.480 -4.096 1.995 1183TIP3 H241812 -1.391 -4.130 1.878 1183TIP3 OH241813 -1.888 -4.045 1.588 1183TIP3 H141814 -1.888 -3.968 1.648 1183TIP3 H241815 -1.805 -4.089 1.616 1183TIP3 OH241816 -0.821 -3.968 2.815 1183TIP3 H141817 -0.915 -3.958 2.837 1183TIP3 H241818 -0.833 -3.981 2.720 1183TIP3 OH241819 -1.004 -3.575 2.249 1183TIP3 H141820 -1.087 -3.618 2.221 1183TIP3 H241821 -0.958 -3.648 2.295 1183TIP3 OH241822 -2.043 -2.966 1.499 1183TIP3 H141823 -1.965 -2.921 1.536 1183TIP3 H241824 -2.002 -3.012 1.424 1183TIP3 OH241825 -2.222 -3.743 1.394 1183TIP3 H141826 -2.218 -3.652 1.429 1183TIP3 H241827 -2.314 -3.750 1.364 1184TIP3 OH241828 -0.897 -2.688 2.391 1184TIP3 H141829 -0.916 -2.608 2.337 1184TIP3 H241830 -0.803 -2.674 2.408 1184TIP3 OH241831 -2.221 -4.242 2.302 1184TIP3 H141832 -2.187 -4.243 2.211 1184TIP3 H241833 -2.196 -4.332 2.329 1184TIP3 OH241834 -2.252 -2.889 1.914 1184TIP3 H141835 -2.330 -2.838 1.938 1184TIP3 H241836 -2.215 -2.836 1.842 1184TIP3 OH241837 -2.312 -2.598 3.029 1184TIP3 H141838 -2.253 -2.626 3.101 1184TIP3 H241839 -2.350 -2.683 3.001 1184TIP3 OH241840 -1.842 -2.690 3.205 1184TIP3 H141841 -1.774 -2.754 3.230 1184TIP3 H241842 -1.864 -2.719 3.115 1184TIP3 OH241843 -1.449 -2.744 1.374 1184TIP3 H141844 -1.509 -2.818 1.347 1184TIP3 H241845 -1.364 -2.777 1.339 1184TIP3 OH241846 -1.193 -2.867 3.063 1184TIP3 H141847 -1.234 -2.946 3.102 1184TIP3 H241848 -1.126 -2.843 3.130 1184TIP3 OH241849 -0.985 -2.767 1.377 1184TIP3 H141850 -0.961 -2.845 1.429 1184TIP3 H241851 -0.906 -2.756 1.320 1184TIP3 OH241852 -2.316 -3.236 3.140 1184TIP3 H141853 -2.307 -3.326 3.106 1184TIP3 H241854 -2.392 -3.204 3.088 1184TIP3 OH241855 -1.893 -3.184 1.347 1184TIP3 H141856 -1.877 -3.250 1.416 1184TIP3 H241857 -1.810 -3.192 1.295 1185TIP3 OH241858 -1.652 -3.216 3.074 1185TIP3 H141859 -1.683 -3.183 2.988 1185TIP3 H241860 -1.645 -3.312 3.060 1185TIP3 OH241861 -1.379 -3.061 1.306 1185TIP3 H141862 -1.373 -3.064 1.403 1185TIP3 H241863 -1.375 -3.156 1.284 1185TIP3 OH241864 -1.115 -3.253 2.814 1185TIP3 H141865 -1.039 -3.197 2.794 1185TIP3 H241866 -1.187 -3.187 2.813 1185TIP3 OH241867 -2.230 -3.523 3.057 1185TIP3 H141868 -2.154 -3.584 3.057 1185TIP3 H241869 -2.234 -3.499 3.151 1185TIP3 OH241870 -1.783 -3.387 1.576 1185TIP3 H141871 -1.848 -3.434 1.630 1185TIP3 H241872 -1.758 -3.456 1.512 1185TIP3 OH241873 -1.864 -3.609 2.799 1185TIP3 H141874 -1.917 -3.531 2.822 1185TIP3 H241875 -1.799 -3.572 2.737 1185TIP3 OH241876 -1.687 -3.584 1.393 1185TIP3 H141877 -1.686 -3.578 1.297 1185TIP3 H241878 -1.592 -3.587 1.415 1185TIP3 OH241879 -1.336 -3.339 3.155 1185TIP3 H141880 -1.245 -3.357 3.130 1185TIP3 H241881 -1.359 -3.420 3.204 1185TIP3 OH241882 -0.740 -3.332 1.334 1185TIP3 H141883 -0.749 -3.372 1.246 1185TIP3 H241884 -0.749 -3.237 1.311 1185TIP3 OH241885 -1.806 -3.880 2.911 1185TIP3 H141886 -1.797 -3.944 2.838 1185TIP3 H241887 -1.827 -3.798 2.863 1186TIP3 OH241888 -1.766 -4.038 2.654 1186TIP3 H141889 -1.715 -3.982 2.592 1186TIP3 H241890 -1.858 -4.027 2.620 1186TIP3 OH241891 -1.616 -3.488 2.699 1186TIP3 H141892 -1.531 -3.493 2.652 1186TIP3 H241893 -1.648 -3.400 2.670 1186TIP3 OH241894 -1.158 -3.707 3.178 1186TIP3 H141895 -1.137 -3.799 3.201 1186TIP3 H241896 -1.072 -3.664 3.185 1186TIP3 OH241897 -1.058 -3.422 3.022 1186TIP3 H141898 -1.097 -3.359 2.957 1186TIP3 H241899 -0.968 -3.431 2.986 1186TIP3 OH241900 -1.986 -3.695 3.091 1186TIP3 H141901 -2.036 -3.779 3.094 1186TIP3 H241902 -1.903 -3.724 3.050 1186TIP3 OH241903 -1.718 -4.277 2.777 1186TIP3 H141904 -1.707 -4.187 2.740 1186TIP3 H241905 -1.811 -4.291 2.755 1186TIP3 OH241906 -1.571 -3.844 3.069 1186TIP3 H141907 -1.598 -3.870 3.159 1186TIP3 H241908 -1.654 -3.863 3.020 1186TIP3 OH241909 -1.313 -3.950 2.964 1186TIP3 H141910 -1.400 -3.930 3.004 1186TIP3 H241911 -1.273 -4.006 3.033 1186TIP3 OH241912 -1.145 -4.119 3.152 1186TIP3 H141913 -1.148 -4.208 3.187 1186TIP3 H241914 -1.160 -4.066 3.234 1186TIP3 OH241915 -2.104 -3.960 3.083 1186TIP3 H141916 -2.131 -4.020 3.011 1186TIP3 H241917 -2.149 -3.998 3.160 1187TIP3 OH241918 -1.610 -4.151 3.177 1187TIP3 H141919 -1.637 -4.233 3.131 1187TIP3 H241920 -1.694 -4.102 3.186 1187TIP3 OH241921 -2.323 -3.022 1.467 1187TIP3 H141922 -2.228 -3.002 1.477 1187TIP3 H241923 -2.322 -3.098 1.406 1187TIP3 OH241924 -2.425 -2.500 1.939 1187TIP3 H141925 -2.495 -2.538 1.883 1187TIP3 H241926 -2.414 -2.569 2.007 1187TIP3 OH241927 -2.385 -2.698 2.137 1187TIP3 H141928 -2.413 -2.786 2.169 1187TIP3 H241929 -2.349 -2.663 2.220 1187TIP3 OH241930 -0.618 -2.582 2.434 1187TIP3 H141931 -0.601 -2.574 2.528 1187TIP3 H241932 -0.541 -2.535 2.397 1187TIP3 OH241933 -0.643 -2.627 2.728 1187TIP3 H141934 -0.689 -2.702 2.687 1187TIP3 H241935 -0.583 -2.674 2.788 1187TIP3 OH241936 -0.839 -3.090 3.158 1187TIP3 H141937 -0.929 -3.079 3.194 1187TIP3 H241938 -0.796 -3.007 3.184 1187TIP3 OH241939 -0.702 -3.194 1.728 1187TIP3 H141940 -0.612 -3.160 1.742 1187TIP3 H241941 -0.707 -3.258 1.801 1187TIP3 OH241942 -0.655 -3.398 1.925 1187TIP3 H141943 -0.720 -3.456 1.969 1187TIP3 H241944 -0.586 -3.386 1.993 1187TIP3 OH241945 -0.680 -3.150 2.425 1187TIP3 H141946 -0.619 -3.195 2.364 1187TIP3 H241947 -0.670 -3.057 2.396 1188TIP3 OH241948 -0.811 -2.863 2.651 1188TIP3 H141949 -0.883 -2.816 2.697 1188TIP3 H241950 -0.856 -2.893 2.570 1188TIP3 OH241951 -0.631 -3.456 1.584 1188TIP3 H141952 -0.680 -3.426 1.505 1188TIP3 H241953 -0.641 -3.378 1.642 1188TIP3 OH241954 -0.801 -3.700 1.409 1188TIP3 H141955 -0.775 -3.637 1.340 1188TIP3 H241956 -0.826 -3.779 1.358 1188TIP3 OH241957 -0.858 -3.585 2.008 1188TIP3 H141958 -0.869 -3.679 1.987 1188TIP3 H241959 -0.900 -3.577 2.096 1188TIP3 OH241960 -2.376 -3.364 2.377 1188TIP3 H141961 -2.352 -3.359 2.283 1188TIP3 H241962 -2.290 -3.386 2.417 1188TIP3 OH241963 -0.789 -3.404 2.934 1188TIP3 H141964 -0.711 -3.460 2.953 1188TIP3 H241965 -0.749 -3.321 2.905 1188TIP3 OH241966 -0.627 -3.621 3.035 1188TIP3 H141967 -0.714 -3.660 3.012 1188TIP3 H241968 -0.563 -3.691 3.020 1188TIP3 OH241969 -0.860 -3.970 1.326 1188TIP3 H141970 -0.801 -4.013 1.390 1188TIP3 H241971 -0.942 -4.019 1.336 1188TIP3 OH241972 -0.878 -3.827 1.827 1188TIP3 H141973 -0.860 -3.924 1.832 1188TIP3 H241974 -0.796 -3.796 1.784 1188TIP3 OH241975 -0.854 -3.776 2.368 1188TIP3 H141976 -0.758 -3.763 2.363 1188TIP3 H241977 -0.867 -3.773 2.465 1189TIP3 OH241978 -0.811 -3.721 2.653 1189TIP3 H141979 -0.897 -3.687 2.684 1189TIP3 H241980 -0.762 -3.639 2.633 1189TIP3 OH241981 -2.392 -3.836 3.029 1189TIP3 H141982 -2.299 -3.857 3.013 1189TIP3 H241983 -2.434 -3.923 3.026 1189TIP3 OH241984 -0.643 -4.271 3.178 1189TIP3 H141985 -0.578 -4.336 3.207 1189TIP3 H241986 -0.591 -4.196 3.145 1189TIP3 OH241987 -0.849 -4.098 1.835 1189TIP3 H141988 -0.824 -4.150 1.912 1189TIP3 H241989 -0.911 -4.160 1.790 1189TIP3 OH241990 -2.316 -3.990 2.298 1189TIP3 H141991 -2.285 -4.083 2.307 1189TIP3 H241992 -2.240 -3.941 2.335 1189TIP3 OH241993 -2.455 -3.727 2.400 1189TIP3 H141994 -2.396 -3.734 2.323 1189TIP3 H241995 -2.417 -3.653 2.447 1189TIP3 OH241996 -0.620 -4.067 2.996 1189TIP3 H141997 -0.702 -4.039 3.042 1189TIP3 H241998 -0.654 -4.143 2.945 1189TIP3 OH241999 -0.634 -4.060 1.498 1189TIP3 H142000 -0.616 -4.143 1.449 1189TIP3 H242001 -0.549 -4.013 1.493 1189TIP3 OH242002 -2.403 -4.098 1.810 1189TIP3 H142003 -2.497 -4.096 1.786 1189TIP3 H242004 -2.363 -4.033 1.749 1189TIP3 OH242005 -0.941 -2.570 2.022 1189TIP3 H142006 -0.897 -2.590 1.937 1189TIP3 H242007 -0.870 -2.523 2.068 1190TIP3 OH242008 -2.425 -4.127 2.658 1190TIP3 H142009 -2.423 -4.221 2.685 1190TIP3 H242010 -2.444 -4.134 2.564 1190TIP3 OH242011 -2.201 -2.896 3.089 1190TIP3 H142012 -2.276 -2.898 3.027 1190TIP3 H242013 -2.245 -2.901 3.175 1190TIP3 OH242014 -1.917 -2.799 2.656 1190TIP3 H142015 -1.947 -2.713 2.622 1190TIP3 H242016 -1.821 -2.790 2.640 1190TIP3 OH242017 -1.466 -2.668 2.958 1190TIP3 H142018 -1.452 -2.684 3.053 1190TIP3 H242019 -1.383 -2.622 2.933 1190TIP3 OH242020 -1.238 -2.522 2.882 1190TIP3 H142021 -1.168 -2.586 2.860 1190TIP3 H242022 -1.207 -2.491 2.970 1190TIP3 OH242023 -0.761 -4.276 2.803 1190TIP3 H142024 -0.818 -4.210 2.758 1190TIP3 H242025 -0.775 -4.352 2.743 1190TIP3 OH242026 -2.180 -2.503 2.690 1190TIP3 H142027 -2.239 -2.439 2.646 1190TIP3 H242028 -2.213 -2.498 2.781 1190TIP3 OH242029 -1.930 -2.526 2.545 1190TIP3 H142030 -2.015 -2.507 2.589 1190TIP3 H242031 -1.926 -2.456 2.477 1190TIP3 OH242032 -1.456 -2.525 2.501 1190TIP3 H142033 -1.493 -2.480 2.424 1190TIP3 H242034 -1.446 -2.451 2.564 1190TIP3 OH242035 -1.222 -2.655 2.593 1190TIP3 H142036 -1.307 -2.617 2.561 1190TIP3 H242037 -1.165 -2.576 2.592 1191TIP3 OH242038 -0.971 -2.481 2.611 1191TIP3 H142039 -0.973 -2.386 2.588 1191TIP3 H242040 -0.941 -2.519 2.527 1191TIP3 OH242041 -2.223 -2.624 2.385 1191TIP3 H142042 -2.224 -2.672 2.470 1191TIP3 H242043 -2.146 -2.666 2.341 1191TIP3 OH242044 -2.020 -2.747 2.231 1191TIP3 H142045 -2.036 -2.840 2.256 1191TIP3 H242046 -1.929 -2.732 2.261 1191TIP3 OH242047 -1.744 -2.703 2.316 1191TIP3 H142048 -1.726 -2.797 2.297 1191TIP3 H242049 -1.737 -2.703 2.413 1191TIP3 OH242050 -1.413 -4.112 2.249 1191TIP3 H142051 -1.477 -4.182 2.276 1191TIP3 H242052 -1.358 -4.160 2.186 1191TIP3 OH242053 -0.886 -4.326 2.296 1191TIP3 H142054 -0.827 -4.290 2.227 1191TIP3 H242055 -0.974 -4.307 2.259 1191TIP3 OH242056 -0.689 -4.225 2.076 1191TIP3 H142057 -0.637 -4.247 1.998 1191TIP3 H242058 -0.672 -4.129 2.085 1191TIP3 OH242059 -2.183 -4.277 1.993 1191TIP3 H142060 -2.267 -4.300 1.951 1191TIP3 H242061 -2.143 -4.364 2.006 1191TIP3 OH242062 -2.323 -4.291 1.611 1191TIP3 H142063 -2.291 -4.257 1.526 1191TIP3 H242064 -2.352 -4.209 1.655 1191TIP3 OH242065 -1.729 -4.227 2.004 1191TIP3 H142066 -1.634 -4.236 1.985 1191TIP3 H242067 -1.744 -4.293 2.072 1192TIP3 OH242068 -1.165 -4.267 2.144 1192TIP3 H142069 -1.142 -4.261 2.050 1192TIP3 H242070 -1.190 -4.360 2.155 1192TIP3 OH242071 -1.064 -4.272 1.738 1192TIP3 H142072 -1.140 -4.213 1.717 1192TIP3 H242073 -1.103 -4.360 1.735 1192TIP3 OH242074 -2.277 -2.696 1.709 1192TIP3 H142075 -2.339 -2.708 1.636 1192TIP3 H242076 -2.277 -2.599 1.714 1192TIP3 OH242077 -2.125 -4.107 1.436 1192TIP3 H142078 -2.065 -4.162 1.383 1192TIP3 H242079 -2.066 -4.074 1.506 1192TIP3 OH242080 -1.602 -4.058 1.672 1192TIP3 H142081 -1.596 -4.144 1.718 1192TIP3 H242082 -1.586 -3.993 1.742 1192TIP3 OH242083 -0.762 -2.609 1.779 1192TIP3 H142084 -0.781 -2.691 1.731 1192TIP3 H242085 -0.759 -2.545 1.706 1192TIP3 OH242086 -2.216 -4.178 2.925 1192TIP3 H142087 -2.261 -4.257 2.957 1192TIP3 H242088 -2.128 -4.215 2.913 1192TIP3 OH242089 -1.924 -4.279 3.189 1192TIP3 H142090 -1.837 -4.307 3.152 1192TIP3 H242091 -1.948 -4.356 3.242 1192TIP3 OH242092 -2.140 -2.609 1.387 1192TIP3 H142093 -2.161 -2.567 1.472 1192TIP3 H242094 -2.060 -2.659 1.408 1192TIP3 OH242095 -0.810 -2.735 3.017 1192TIP3 H142096 -0.883 -2.753 2.954 1192TIP3 H242097 -0.825 -2.641 3.036 1193TIP3 OH242098 0.610 -3.368 2.030 1193TIP3 H142099 0.611 -3.271 2.041 1193TIP3 H242100 0.535 -3.379 1.971 1193TIP3 OH242101 0.497 -3.422 2.336 1193TIP3 H142102 0.495 -3.478 2.415 1193TIP3 H242103 0.469 -3.484 2.267 1193TIP3 OH242104 -0.253 -3.470 2.504 1193TIP3 H142105 -0.256 -3.535 2.576 1193TIP3 H242106 -0.184 -3.410 2.535 1193TIP3 OH242107 0.865 -3.149 2.169 1193TIP3 H142108 0.827 -3.219 2.224 1193TIP3 H242109 0.892 -3.085 2.236 1193TIP3 OH242110 -0.191 -3.002 2.357 1193TIP3 H142111 -0.214 -3.093 2.330 1193TIP3 H242112 -0.095 -3.012 2.373 1193TIP3 OH242113 -0.493 -3.664 1.895 1193TIP3 H142114 -0.529 -3.573 1.901 1193TIP3 H242115 -0.564 -3.708 1.848 1193TIP3 OH242116 -0.411 -3.415 2.079 1193TIP3 H142117 -0.394 -3.498 2.127 1193TIP3 H242118 -0.328 -3.402 2.031 1193TIP3 OH242119 0.570 -2.613 2.223 1193TIP3 H142120 0.630 -2.684 2.194 1193TIP3 H242121 0.541 -2.644 2.310 1193TIP3 OH242122 0.345 -3.172 2.394 1193TIP3 H142123 0.378 -3.243 2.336 1193TIP3 H242124 0.426 -3.156 2.445 1193TIP3 OH242125 1.214 -4.022 2.456 1193TIP3 H142126 1.243 -3.964 2.529 1193TIP3 H242127 1.276 -3.992 2.386 1194TIP3 OH242128 0.671 -3.741 2.445 1194TIP3 H142129 0.695 -3.835 2.445 1194TIP3 H242130 0.666 -3.722 2.350 1194TIP3 OH242131 -0.032 -3.942 2.156 1194TIP3 H142132 -0.014 -3.857 2.110 1194TIP3 H242133 -0.062 -3.995 2.079 1194TIP3 OH242134 0.761 -3.921 1.990 1194TIP3 H142135 0.824 -3.963 2.052 1194TIP3 H242136 0.822 -3.877 1.929 1194TIP3 OH242137 -0.359 -3.665 2.204 1194TIP3 H142138 -0.296 -3.714 2.259 1194TIP3 H242139 -0.350 -3.712 2.119 1194TIP3 OH242140 0.178 -3.525 2.149 1194TIP3 H142141 0.250 -3.580 2.187 1194TIP3 H242142 0.129 -3.592 2.098 1194TIP3 OH242143 1.286 -3.871 2.698 1194TIP3 H142144 1.223 -3.800 2.679 1194TIP3 H242145 1.276 -3.882 2.793 1194TIP3 OH242146 -0.164 -4.045 2.593 1194TIP3 H142147 -0.192 -4.006 2.509 1194TIP3 H242148 -0.235 -4.019 2.651 1194TIP3 OH242149 0.600 -3.083 1.908 1194TIP3 H142150 0.571 -3.102 1.819 1194TIP3 H242151 0.557 -2.998 1.926 1194TIP3 OH242152 0.145 -3.270 2.580 1194TIP3 H142153 0.072 -3.209 2.606 1194TIP3 H242154 0.208 -3.210 2.536 1194TIP3 OH242155 0.945 -4.014 2.191 1194TIP3 H142156 0.899 -4.058 2.264 1194TIP3 H242157 1.001 -3.951 2.239 1195TIP3 OH242158 -0.187 -3.863 2.368 1195TIP3 H142159 -0.125 -3.798 2.408 1195TIP3 H242160 -0.132 -3.894 2.292 1195TIP3 OH242161 -0.057 -3.085 2.654 1195TIP3 H142162 -0.057 -2.994 2.619 1195TIP3 H242163 -0.144 -3.085 2.699 1195TIP3 OH242164 -0.426 -3.112 1.742 1195TIP3 H142165 -0.442 -3.062 1.659 1195TIP3 H242166 -0.408 -3.041 1.807 1195TIP3 OH242167 0.919 -2.967 2.419 1195TIP3 H142168 0.823 -2.954 2.420 1195TIP3 H242169 0.948 -2.882 2.381 1195TIP3 OH242170 0.965 -4.115 2.586 1195TIP3 H142171 0.886 -4.076 2.546 1195TIP3 H242172 1.032 -4.096 2.519 1195TIP3 OH242173 0.277 4.365 2.312 1195TIP3 H142174 0.244 4.279 2.288 1195TIP3 H242175 0.195 4.415 2.329 1195TIP3 OH242176 0.753 -2.775 2.078 1195TIP3 H142177 0.802 -2.853 2.044 1195TIP3 H242178 0.818 -2.704 2.063 1195TIP3 OH242179 0.896 -2.988 1.937 1195TIP3 H142180 0.844 -3.033 1.868 1195TIP3 H242181 0.890 -3.052 2.010 1195TIP3 OH242182 1.050 -3.106 2.786 1195TIP3 H142183 1.040 -3.169 2.713 1195TIP3 H242184 1.061 -3.021 2.738 1195TIP3 OH242185 0.476 -3.417 1.757 1195TIP3 H142186 0.410 -3.354 1.720 1195TIP3 H242187 0.547 -3.410 1.691 1196TIP3 OH242188 0.504 -3.598 1.463 1196TIP3 H142189 0.574 -3.565 1.522 1196TIP3 H242190 0.557 -3.652 1.403 1196TIP3 OH242191 1.224 -3.490 2.582 1196TIP3 H142192 1.154 -3.421 2.588 1196TIP3 H242193 1.274 -3.458 2.504 1196TIP3 OH242194 0.827 -3.415 1.863 1196TIP3 H142195 0.759 -3.393 1.931 1196TIP3 H242196 0.888 -3.470 1.916 1196TIP3 OH242197 0.810 -3.563 2.747 1196TIP3 H142198 0.818 -3.482 2.801 1196TIP3 H242199 0.748 -3.530 2.680 1196TIP3 OH242200 -0.017 -3.339 2.044 1196TIP3 H142201 -0.046 -3.379 1.960 1196TIP3 H242202 0.052 -3.401 2.073 1196TIP3 OH242203 0.119 -3.000 2.317 1196TIP3 H142204 0.112 -3.033 2.226 1196TIP3 H242205 0.201 -3.043 2.348 1196TIP3 OH242206 0.047 -3.460 2.393 1196TIP3 H142207 0.101 -3.453 2.311 1196TIP3 H242208 0.085 -3.388 2.448 1196TIP3 OH242209 0.641 -2.906 2.448 1196TIP3 H142210 0.641 -2.837 2.517 1196TIP3 H242211 0.618 -2.987 2.496 1196TIP3 OH242212 0.128 -3.027 2.875 1196TIP3 H142213 0.078 -2.957 2.922 1196TIP3 H242214 0.065 -3.050 2.804 1196TIP3 OH242215 0.724 -3.472 1.609 1196TIP3 H142216 0.770 -3.443 1.691 1196TIP3 H242217 0.772 -3.420 1.541 1197TIP3 OH242218 -0.179 -3.391 2.788 1197TIP3 H142219 -0.170 -3.327 2.861 1197TIP3 H242220 -0.276 -3.395 2.780 1197TIP3 OH242221 0.470 -2.810 1.966 1197TIP3 H142222 0.514 -2.778 2.046 1197TIP3 H242223 0.419 -2.733 1.938 1197TIP3 OH242224 -0.059 -2.808 2.955 1197TIP3 H142225 -0.069 -2.800 2.858 1197TIP3 H242226 -0.148 -2.833 2.984 1197TIP3 OH242227 1.040 -4.320 1.531 1197TIP3 H142228 1.005 -4.325 1.621 1197TIP3 H242229 1.120 -4.269 1.548 1197TIP3 OH242230 -0.123 -3.463 1.796 1197TIP3 H142231 -0.140 -3.386 1.739 1197TIP3 H242232 -0.189 -3.526 1.763 1197TIP3 OH242233 1.204 -2.882 1.413 1197TIP3 H142234 1.220 -2.788 1.434 1197TIP3 H242235 1.291 -2.922 1.434 1197TIP3 OH242236 -0.515 -3.195 2.667 1197TIP3 H142237 -0.560 -3.191 2.580 1197TIP3 H242238 -0.502 -3.291 2.679 1197TIP3 OH242239 -0.511 -2.906 2.362 1197TIP3 H142240 -0.416 -2.929 2.365 1197TIP3 H242241 -0.515 -2.839 2.432 1197TIP3 OH242242 1.329 -2.842 2.939 1197TIP3 H142243 1.318 -2.937 2.918 1197TIP3 H242244 1.238 -2.818 2.966 1197TIP3 OH242245 0.394 -2.921 2.818 1197TIP3 H142246 0.402 -2.838 2.869 1197TIP3 H242247 0.303 -2.949 2.840 1198TIP3 OH242248 0.429 -2.539 1.818 1198TIP3 H142249 0.420 -2.530 1.722 1198TIP3 H242250 0.423 -2.447 1.850 1198TIP3 OH242251 -0.189 -2.638 1.969 1198TIP3 H142252 -0.185 -2.673 2.060 1198TIP3 H242253 -0.281 -2.653 1.945 1198TIP3 OH242254 0.748 -2.597 1.533 1198TIP3 H142255 0.808 -2.658 1.486 1198TIP3 H242256 0.749 -2.635 1.623 1198TIP3 OH242257 0.691 -2.653 1.812 1198TIP3 H142258 0.596 -2.638 1.828 1198TIP3 H242259 0.708 -2.725 1.875 1198TIP3 OH242260 1.009 -3.709 2.977 1198TIP3 H142261 0.958 -3.668 2.906 1198TIP3 H242262 1.015 -3.802 2.947 1198TIP3 OH242263 -0.297 -3.037 2.790 1198TIP3 H142264 -0.271 -3.084 2.872 1198TIP3 H242265 -0.370 -3.091 2.755 1198TIP3 OH242266 0.023 -4.217 2.393 1198TIP3 H142267 -0.057 -4.244 2.345 1198TIP3 H242268 0.001 -4.126 2.418 1198TIP3 OH242269 0.480 -4.270 2.735 1198TIP3 H142270 0.500 -4.312 2.819 1198TIP3 H242271 0.384 -4.281 2.731 1198TIP3 OH242272 0.776 -3.865 2.780 1198TIP3 H142273 0.721 -3.874 2.860 1198TIP3 H242274 0.774 -3.769 2.764 1198TIP3 OH242275 0.878 -3.364 1.410 1198TIP3 H142276 0.858 -3.379 1.316 1198TIP3 H242277 0.971 -3.337 1.404 1199TIP3 OH242278 0.443 -3.994 1.456 1199TIP3 H142279 0.388 -4.004 1.536 1199TIP3 H242280 0.393 -4.054 1.395 1199TIP3 OH242281 0.009 -3.715 2.506 1199TIP3 H142282 -0.043 -3.698 2.585 1199TIP3 H242283 0.022 -3.625 2.470 1199TIP3 OH242284 0.004 -3.711 1.999 1199TIP3 H142285 -0.091 -3.716 1.981 1199TIP3 H242286 0.040 -3.726 1.909 1199TIP3 OH242287 0.565 -3.652 1.874 1199TIP3 H142288 0.525 -3.569 1.841 1199TIP3 H242289 0.633 -3.667 1.806 1199TIP3 OH242290 0.485 -3.633 3.006 1199TIP3 H142291 0.433 -3.706 3.046 1199TIP3 H242292 0.571 -3.642 3.051 1199TIP3 OH242293 0.649 -3.712 2.153 1199TIP3 H142294 0.621 -3.653 2.080 1199TIP3 H242295 0.672 -3.792 2.101 1199TIP3 OH242296 -0.274 -3.719 2.708 1199TIP3 H142297 -0.225 -3.666 2.772 1199TIP3 H242298 -0.276 -3.805 2.751 1199TIP3 OH242299 0.083 -3.944 1.350 1199TIP3 H142300 0.046 -3.980 1.433 1199TIP3 H242301 0.004 -3.925 1.298 1199TIP3 OH242302 -0.577 -3.960 2.059 1199TIP3 H142303 -0.516 -3.958 2.135 1199TIP3 H242304 -0.521 -3.990 1.986 1199TIP3 OH242305 -0.413 -3.910 1.629 1199TIP3 H142306 -0.360 -3.860 1.564 1199TIP3 H242307 -0.485 -3.846 1.645 1200TIP3 OH242308 0.557 -3.544 2.597 1200TIP3 H142309 0.603 -3.616 2.548 1200TIP3 H242310 0.530 -3.588 2.679 1200TIP3 OH242311 0.282 -3.945 2.096 1200TIP3 H142312 0.188 -3.959 2.115 1200TIP3 H242313 0.322 -3.966 2.181 1200TIP3 OH242314 -0.266 -3.829 1.971 1200TIP3 H142315 -0.344 -3.797 1.921 1200TIP3 H242316 -0.237 -3.907 1.921 1200TIP3 OH242317 0.100 -3.789 1.738 1200TIP3 H142318 0.197 -3.783 1.739 1200TIP3 H242319 0.074 -3.734 1.662 1200TIP3 OH242320 0.716 -4.036 2.403 1200TIP3 H142321 0.651 -4.033 2.477 1200TIP3 H242322 0.656 -4.062 2.330 1200TIP3 OH242323 -0.051 -3.674 1.513 1200TIP3 H142324 -0.111 -3.695 1.439 1200TIP3 H242325 0.029 -3.648 1.464 1200TIP3 OH242326 1.021 -2.458 3.067 1200TIP3 H142327 1.041 -2.411 2.985 1200TIP3 H242328 1.089 -2.425 3.127 1200TIP3 OH242329 -0.190 -3.197 3.008 1200TIP3 H142330 -0.121 -3.187 3.077 1200TIP3 H242331 -0.269 -3.191 3.065 1200TIP3 OH242332 0.381 -3.697 2.281 1200TIP3 H142333 0.457 -3.734 2.235 1200TIP3 H242334 0.370 -3.758 2.356 1200TIP3 OH242335 -0.104 -4.065 1.908 1200TIP3 H142336 -0.149 -4.151 1.917 1200TIP3 H242337 -0.022 -4.090 1.863 1201TIP3 OH242338 0.277 -3.853 2.511 1201TIP3 H142339 0.205 -3.787 2.505 1201TIP3 H242340 0.328 -3.823 2.589 1201TIP3 OH242341 0.294 -3.210 1.697 1201TIP3 H142342 0.218 -3.260 1.661 1201TIP3 H242343 0.274 -3.206 1.793 1201TIP3 OH242344 1.015 -3.294 2.570 1201TIP3 H142345 1.066 -3.239 2.506 1201TIP3 H242346 0.930 -3.304 2.523 1201TIP3 OH242347 0.710 -3.933 1.460 1201TIP3 H142348 0.612 -3.938 1.461 1201TIP3 H242349 0.729 -3.862 1.525 1201TIP3 OH242350 0.454 -3.211 2.829 1201TIP3 H142351 0.428 -3.238 2.918 1201TIP3 H242352 0.428 -3.117 2.828 1201TIP3 OH242353 0.775 -3.749 1.674 1201TIP3 H142354 0.863 -3.762 1.716 1201TIP3 H242355 0.784 -3.660 1.635 1201TIP3 OH242356 -0.193 -3.274 2.281 1201TIP3 H142357 -0.140 -3.279 2.199 1201TIP3 H242358 -0.178 -3.362 2.319 1201TIP3 OH242359 0.533 -3.073 1.590 1201TIP3 H142360 0.507 -2.987 1.628 1201TIP3 H242361 0.457 -3.128 1.617 1201TIP3 OH242362 -0.463 -3.446 2.804 1201TIP3 H142363 -0.451 -3.488 2.892 1201TIP3 H242364 -0.534 -3.498 2.763 1201TIP3 OH242365 0.229 -3.496 3.002 1201TIP3 H142366 0.201 -3.514 2.911 1201TIP3 H242367 0.324 -3.519 2.996 1202TIP3 OH242368 0.683 -2.954 2.777 1202TIP3 H142369 0.587 -2.941 2.770 1202TIP3 H242370 0.701 -2.924 2.868 1202TIP3 OH242371 1.235 -3.745 1.654 1202TIP3 H142372 1.181 -3.765 1.576 1202TIP3 H242373 1.248 -3.649 1.639 1202TIP3 OH242374 1.283 -3.139 2.933 1202TIP3 H142375 1.189 -3.119 2.914 1202TIP3 H242376 1.316 -3.160 2.843 1202TIP3 OH242377 1.055 -2.884 1.662 1202TIP3 H142378 1.036 -2.961 1.716 1202TIP3 H242379 1.111 -2.919 1.591 1202TIP3 OH242380 0.781 -3.351 2.402 1202TIP3 H142381 0.688 -3.365 2.376 1202TIP3 H242382 0.826 -3.422 2.351 1202TIP3 OH242383 0.044 -2.941 2.005 1202TIP3 H142384 0.086 -2.855 1.992 1202TIP3 H242385 -0.047 -2.921 1.982 1202TIP3 OH242386 -0.354 -3.464 1.468 1202TIP3 H142387 -0.297 -3.394 1.505 1202TIP3 H242388 -0.443 -3.432 1.495 1202TIP3 OH242389 0.228 -3.174 1.967 1202TIP3 H142390 0.200 -3.081 1.980 1202TIP3 H242391 0.155 -3.221 2.010 1202TIP3 OH242392 0.245 -2.748 2.602 1202TIP3 H142393 0.298 -2.672 2.572 1202TIP3 H242394 0.309 -2.794 2.659 1202TIP3 OH242395 0.090 -2.655 1.928 1202TIP3 H142396 -0.006 -2.639 1.934 1202TIP3 H242397 0.125 -2.566 1.949 1203TIP3 OH242398 0.585 -3.173 2.558 1203TIP3 H142399 0.558 -3.199 2.648 1203TIP3 H242400 0.660 -3.232 2.542 1203TIP3 OH242401 0.803 -3.042 1.451 1203TIP3 H142402 0.845 -3.086 1.527 1203TIP3 H242403 0.710 -3.055 1.475 1203TIP3 OH242404 0.880 -2.715 2.797 1203TIP3 H142405 0.804 -2.759 2.755 1203TIP3 H242406 0.891 -2.635 2.743 1203TIP3 OH242407 1.279 -2.612 1.500 1203TIP3 H142408 1.349 -2.547 1.483 1203TIP3 H242409 1.202 -2.552 1.502 1203TIP3 OH242410 0.899 -3.180 1.690 1203TIP3 H142411 0.873 -3.253 1.749 1203TIP3 H242412 0.996 -3.182 1.697 1203TIP3 OH242413 -0.363 -2.797 2.597 1203TIP3 H142414 -0.326 -2.885 2.612 1203TIP3 H242415 -0.336 -2.751 2.677 1203TIP3 OH242416 0.227 -2.936 1.310 1203TIP3 H142417 0.255 -3.014 1.259 1203TIP3 H242418 0.184 -2.977 1.387 1203TIP3 OH242419 0.114 -2.987 1.578 1203TIP3 H142420 0.162 -3.038 1.644 1203TIP3 H242421 0.124 -2.895 1.611 1203TIP3 OH242422 -0.204 -3.241 1.622 1203TIP3 H142423 -0.278 -3.202 1.671 1203TIP3 H242424 -0.159 -3.161 1.589 1203TIP3 OH242425 0.557 -4.009 2.629 1203TIP3 H142426 0.619 -3.978 2.697 1203TIP3 H242427 0.521 -4.091 2.666 1204TIP3 OH242428 0.633 -4.057 1.745 1204TIP3 H142429 0.641 -3.999 1.668 1204TIP3 H242430 0.672 -4.001 1.815 1204TIP3 OH242431 0.408 -2.820 1.645 1204TIP3 H142432 0.322 -2.776 1.660 1204TIP3 H242433 0.437 -2.782 1.562 1204TIP3 OH242434 0.370 -3.854 1.844 1204TIP3 H142435 0.442 -3.789 1.856 1204TIP3 H242436 0.340 -3.866 1.937 1204TIP3 OH242437 0.398 -3.763 2.759 1204TIP3 H142438 0.409 -3.709 2.839 1204TIP3 H242439 0.460 -3.835 2.775 1204TIP3 OH242440 0.444 -4.172 1.949 1204TIP3 H142441 0.403 -4.094 1.992 1204TIP3 H242442 0.496 -4.129 1.879 1204TIP3 OH242443 0.127 -2.720 1.645 1204TIP3 H142444 0.115 -2.638 1.592 1204TIP3 H242445 0.108 -2.686 1.735 1204TIP3 OH242446 -0.006 -4.052 1.597 1204TIP3 H142447 -0.002 -3.967 1.645 1204TIP3 H242448 0.084 -4.086 1.617 1204TIP3 OH242449 1.037 -3.965 2.842 1204TIP3 H142450 0.941 -3.954 2.827 1204TIP3 H242451 1.066 -3.980 2.750 1204TIP3 OH242452 0.882 -3.575 2.250 1204TIP3 H142453 0.801 -3.621 2.221 1204TIP3 H242454 0.931 -3.647 2.295 1204TIP3 OH242455 -0.163 -2.963 1.496 1204TIP3 H142456 -0.092 -2.909 1.535 1204TIP3 H242457 -0.112 -3.010 1.428 1205TIP3 OH242458 -0.350 -3.746 1.409 1205TIP3 H142459 -0.335 -3.651 1.430 1205TIP3 H242460 -0.433 -3.743 1.361 1205TIP3 OH242461 0.984 -2.689 2.388 1205TIP3 H142462 0.965 -2.609 2.336 1205TIP3 H242463 1.077 -2.673 2.411 1205TIP3 OH242464 -0.334 -4.239 2.301 1205TIP3 H142465 -0.294 -4.246 2.213 1205TIP3 H242466 -0.315 -4.328 2.334 1205TIP3 OH242467 -0.372 -2.896 1.912 1205TIP3 H142468 -0.444 -2.837 1.940 1205TIP3 H242469 -0.323 -2.838 1.851 1205TIP3 OH242470 -0.425 -2.599 3.029 1205TIP3 H142471 -0.368 -2.627 3.103 1205TIP3 H242472 -0.465 -2.683 3.000 1205TIP3 OH242473 0.039 -2.695 3.208 1205TIP3 H142474 0.112 -2.755 3.228 1205TIP3 H242475 0.021 -2.718 3.116 1205TIP3 OH242476 0.449 -2.768 1.366 1205TIP3 H142477 0.373 -2.828 1.348 1205TIP3 H242478 0.519 -2.817 1.321 1205TIP3 OH242479 0.692 -2.865 3.064 1205TIP3 H142480 0.653 -2.946 3.102 1205TIP3 H242481 0.760 -2.842 3.129 1205TIP3 OH242482 0.911 -2.774 1.371 1205TIP3 H142483 0.927 -2.856 1.420 1205TIP3 H242484 0.989 -2.770 1.312 1205TIP3 OH242485 -0.431 -3.234 3.142 1205TIP3 H142486 -0.418 -3.323 3.105 1205TIP3 H242487 -0.507 -3.203 3.089 1206TIP3 OH242488 -0.009 -3.193 1.342 1206TIP3 H142489 0.009 -3.252 1.417 1206TIP3 H242490 0.077 -3.195 1.295 1206TIP3 OH242491 0.232 -3.216 3.075 1206TIP3 H142492 0.203 -3.181 2.989 1206TIP3 H242493 0.239 -3.312 3.058 1206TIP3 OH242494 0.515 -3.061 1.304 1206TIP3 H142495 0.510 -3.065 1.400 1206TIP3 H242496 0.510 -3.156 1.282 1206TIP3 OH242497 0.770 -3.253 2.813 1206TIP3 H142498 0.849 -3.201 2.793 1206TIP3 H242499 0.701 -3.184 2.812 1206TIP3 OH242500 -0.341 -3.526 3.057 1206TIP3 H142501 -0.263 -3.583 3.063 1206TIP3 H242502 -0.349 -3.498 3.150 1206TIP3 OH242503 0.101 -3.385 1.577 1206TIP3 H142504 0.039 -3.437 1.630 1206TIP3 H242505 0.131 -3.453 1.512 1206TIP3 OH242506 0.013 -3.611 2.792 1206TIP3 H142507 -0.033 -3.530 2.820 1206TIP3 H242508 0.086 -3.575 2.739 1206TIP3 OH242509 0.194 -3.584 1.401 1206TIP3 H142510 0.190 -3.575 1.304 1206TIP3 H242511 0.290 -3.587 1.416 1206TIP3 OH242512 0.551 -3.339 3.156 1206TIP3 H142513 0.642 -3.355 3.126 1206TIP3 H242514 0.529 -3.422 3.199 1206TIP3 OH242515 1.147 -3.332 1.334 1206TIP3 H142516 1.137 -3.374 1.247 1206TIP3 H242517 1.136 -3.237 1.311 1207TIP3 OH242518 0.068 -3.882 2.910 1207TIP3 H142519 0.090 -3.945 2.839 1207TIP3 H242520 0.062 -3.798 2.862 1207TIP3 OH242521 0.118 -4.036 2.655 1207TIP3 H142522 0.172 -3.981 2.594 1207TIP3 H242523 0.027 -4.023 2.620 1207TIP3 OH242524 0.267 -3.489 2.701 1207TIP3 H142525 0.352 -3.496 2.654 1207TIP3 H242526 0.237 -3.401 2.670 1207TIP3 OH242527 0.725 -3.693 3.176 1207TIP3 H142528 0.747 -3.786 3.197 1207TIP3 H242529 0.814 -3.653 3.173 1207TIP3 OH242530 0.824 -3.416 3.026 1207TIP3 H142531 0.789 -3.353 2.959 1207TIP3 H242532 0.915 -3.428 2.992 1207TIP3 OH242533 -0.104 -3.704 3.096 1207TIP3 H142534 -0.164 -3.780 3.086 1207TIP3 H242535 -0.025 -3.734 3.049 1207TIP3 OH242536 0.167 -4.276 2.774 1207TIP3 H142537 0.178 -4.185 2.741 1207TIP3 H242538 0.076 -4.292 2.748 1207TIP3 OH242539 0.315 -3.844 3.072 1207TIP3 H142540 0.287 -3.872 3.161 1207TIP3 H242541 0.233 -3.865 3.023 1207TIP3 OH242542 0.572 -3.947 2.969 1207TIP3 H142543 0.484 -3.931 3.007 1207TIP3 H242544 0.611 -4.010 3.033 1207TIP3 OH242545 0.745 -4.138 3.137 1207TIP3 H142546 0.732 -4.225 3.178 1207TIP3 H242547 0.733 -4.077 3.212 1208TIP3 OH242548 -0.271 -3.933 3.045 1208TIP3 H142549 -0.270 -4.021 3.003 1208TIP3 H242550 -0.296 -3.956 3.136 1208TIP3 OH242551 0.278 -4.146 3.181 1208TIP3 H142552 0.255 -4.229 3.135 1208TIP3 H242553 0.192 -4.101 3.189 1208TIP3 OH242554 0.170 -2.467 1.529 1208TIP3 H142555 0.264 -2.467 1.513 1208TIP3 H242556 0.135 -2.424 1.450 1208TIP3 OH242557 -0.437 -3.023 1.469 1208TIP3 H142558 -0.342 -3.000 1.478 1208TIP3 H242559 -0.434 -3.097 1.405 1208TIP3 OH242560 -0.526 -2.502 1.937 1208TIP3 H142561 -0.601 -2.534 1.885 1208TIP3 H242562 -0.521 -2.567 2.010 1208TIP3 OH242563 -0.493 -2.696 2.140 1208TIP3 H142564 -0.519 -2.781 2.178 1208TIP3 H242565 -0.465 -2.648 2.220 1208TIP3 OH242566 1.256 -2.573 2.438 1208TIP3 H142567 1.272 -2.574 2.533 1208TIP3 H242568 1.340 -2.542 2.404 1208TIP3 OH242569 1.246 -2.628 2.725 1208TIP3 H142570 1.194 -2.702 2.689 1208TIP3 H242571 1.301 -2.675 2.789 1208TIP3 OH242572 1.045 -3.086 3.156 1208TIP3 H142573 0.956 -3.076 3.194 1208TIP3 H242574 1.090 -3.005 3.184 1208TIP3 OH242575 1.185 -3.195 1.728 1208TIP3 H142576 1.276 -3.162 1.743 1208TIP3 H242577 1.178 -3.258 1.801 1209TIP3 OH242578 1.236 -3.399 1.929 1209TIP3 H142579 1.166 -3.455 1.969 1209TIP3 H242580 1.302 -3.391 2.000 1209TIP3 OH242581 1.203 -3.149 2.424 1209TIP3 H142582 1.265 -3.199 2.368 1209TIP3 H242583 1.217 -3.058 2.392 1209TIP3 OH242584 1.075 -2.858 2.648 1209TIP3 H142585 1.002 -2.816 2.697 1209TIP3 H242586 1.030 -2.893 2.569 1209TIP3 OH242587 1.255 -3.455 1.584 1209TIP3 H142588 1.206 -3.426 1.505 1209TIP3 H242589 1.244 -3.378 1.642 1209TIP3 OH242590 1.083 -3.699 1.409 1209TIP3 H142591 1.111 -3.638 1.339 1209TIP3 H242592 1.059 -3.779 1.359 1209TIP3 OH242593 1.024 -3.583 2.006 1209TIP3 H142594 1.018 -3.678 1.988 1209TIP3 H242595 0.987 -3.576 2.097 1209TIP3 OH242596 -0.490 -3.370 2.376 1209TIP3 H142597 -0.467 -3.358 2.282 1209TIP3 H242598 -0.401 -3.385 2.414 1209TIP3 OH242599 1.086 -3.394 2.926 1209TIP3 H142600 1.162 -3.454 2.936 1209TIP3 H242601 1.128 -3.311 2.900 1209TIP3 OH242602 1.242 -3.589 3.048 1209TIP3 H142603 1.163 -3.638 3.020 1209TIP3 H242604 1.312 -3.656 3.037 1209TIP3 OH242605 1.025 -3.968 1.326 1209TIP3 H142606 1.086 -4.012 1.388 1209TIP3 H242607 0.944 -4.020 1.336 1210TIP3 OH242608 1.008 -3.827 1.827 1210TIP3 H142609 1.025 -3.924 1.832 1210TIP3 H242610 1.089 -3.797 1.784 1210TIP3 OH242611 1.035 -3.777 2.366 1210TIP3 H142612 1.132 -3.765 2.360 1210TIP3 H242613 1.024 -3.774 2.463 1210TIP3 OH242614 1.049 -3.705 2.652 1210TIP3 H142615 0.965 -3.662 2.677 1210TIP3 H242616 1.105 -3.629 2.629 1210TIP3 OH242617 1.268 -4.277 3.230 1210TIP3 H142618 1.310 -4.359 3.206 1210TIP3 H242619 1.266 -4.220 3.150 1210TIP3 OH242620 1.037 -4.098 1.835 1210TIP3 H142621 1.066 -4.149 1.912 1210TIP3 H242622 0.977 -4.162 1.792 1210TIP3 OH242623 -0.434 -3.990 2.306 1210TIP3 H142624 -0.402 -4.083 2.308 1210TIP3 H242625 -0.353 -3.942 2.331 1210TIP3 OH242626 -0.561 -3.733 2.418 1210TIP3 H142627 -0.511 -3.740 2.335 1210TIP3 H242628 -0.532 -3.646 2.448 1210TIP3 OH242629 1.242 -4.113 3.015 1210TIP3 H142630 1.158 -4.064 3.021 1210TIP3 H242631 1.237 -4.142 2.922 1210TIP3 OH242632 1.250 -4.057 1.492 1210TIP3 H142633 1.270 -4.143 1.450 1210TIP3 H242634 1.337 -4.015 1.498 1210TIP3 OH242635 -0.515 -4.101 1.807 1210TIP3 H142636 -0.610 -4.093 1.786 1210TIP3 H242637 -0.475 -4.033 1.748 1211TIP3 OH242638 0.943 -2.568 2.018 1211TIP3 H142639 0.991 -2.592 1.936 1211TIP3 H242640 1.014 -2.530 2.072 1211TIP3 OH242641 -0.532 -4.121 2.667 1211TIP3 H142642 -0.522 -4.216 2.689 1211TIP3 H242643 -0.552 -4.128 2.572 1211TIP3 OH242644 -0.317 -2.907 3.091 1211TIP3 H142645 -0.389 -2.897 3.026 1211TIP3 H242646 -0.362 -2.895 3.175 1211TIP3 OH242647 -0.030 -2.799 2.659 1211TIP3 H142648 -0.062 -2.714 2.624 1211TIP3 H242649 0.065 -2.789 2.640 1211TIP3 OH242650 0.420 -2.670 2.958 1211TIP3 H142651 0.435 -2.684 3.053 1211TIP3 H242652 0.502 -2.622 2.932 1211TIP3 OH242653 0.648 -2.523 2.882 1211TIP3 H142654 0.717 -2.587 2.861 1211TIP3 H242655 0.678 -2.491 2.970 1211TIP3 OH242656 1.111 -4.276 2.794 1211TIP3 H142657 1.056 -4.217 2.739 1211TIP3 H242658 1.124 -4.351 2.733 1211TIP3 OH242659 -0.295 -2.506 2.694 1211TIP3 H142660 -0.349 -2.441 2.645 1211TIP3 H242661 -0.333 -2.494 2.782 1211TIP3 OH242662 -0.039 -2.526 2.550 1211TIP3 H142663 -0.125 -2.505 2.592 1211TIP3 H242664 -0.039 -2.465 2.474 1211TIP3 OH242665 0.430 -2.525 2.500 1211TIP3 H142666 0.387 -2.481 2.424 1211TIP3 H242667 0.438 -2.451 2.563 1212TIP3 OH242668 0.662 -2.654 2.594 1212TIP3 H142669 0.578 -2.618 2.560 1212TIP3 H242670 0.719 -2.576 2.591 1212TIP3 OH242671 0.918 -2.481 2.613 1212TIP3 H142672 0.911 -2.386 2.591 1212TIP3 H242673 0.945 -2.517 2.526 1212TIP3 OH242674 -0.336 -2.591 2.373 1212TIP3 H142675 -0.330 -2.638 2.457 1212TIP3 H242676 -0.258 -2.624 2.325 1212TIP3 OH242677 -0.138 -2.746 2.229 1212TIP3 H142678 -0.154 -2.838 2.258 1212TIP3 H242679 -0.047 -2.730 2.259 1212TIP3 OH242680 0.141 -2.699 2.317 1212TIP3 H142681 0.161 -2.792 2.294 1212TIP3 H242682 0.146 -2.702 2.413 1212TIP3 OH242683 0.475 -4.113 2.252 1212TIP3 H142684 0.410 -4.182 2.274 1212TIP3 H242685 0.527 -4.155 2.182 1212TIP3 OH242686 0.981 -4.330 2.292 1212TIP3 H142687 1.055 -4.297 2.238 1212TIP3 H242688 0.905 -4.295 2.244 1212TIP3 OH242689 1.190 -4.223 2.072 1212TIP3 H142690 1.253 -4.247 2.003 1212TIP3 H242691 1.216 -4.130 2.089 1212TIP3 OH242692 -0.294 -4.282 1.981 1212TIP3 H142693 -0.385 -4.302 1.957 1212TIP3 H242694 -0.261 -4.367 2.012 1212TIP3 OH242695 -0.435 -4.291 1.604 1212TIP3 H142696 -0.389 -4.244 1.531 1212TIP3 H242697 -0.472 -4.216 1.653 1213TIP3 OH242698 0.158 -4.222 2.016 1213TIP3 H142699 0.246 -4.237 1.979 1213TIP3 H242700 0.138 -4.303 2.064 1213TIP3 OH242701 0.720 -4.270 2.144 1213TIP3 H142702 0.747 -4.251 2.054 1213TIP3 H242703 0.700 -4.365 2.142 1213TIP3 OH242704 0.817 -4.273 1.745 1213TIP3 H142705 0.746 -4.213 1.717 1213TIP3 H242706 0.781 -4.360 1.728 1213TIP3 OH242707 -0.393 -2.697 1.707 1213TIP3 H142708 -0.456 -2.703 1.633 1213TIP3 H242709 -0.390 -2.601 1.719 1213TIP3 OH242710 -0.244 -4.129 1.448 1213TIP3 H142711 -0.174 -4.160 1.388 1213TIP3 H242712 -0.191 -4.074 1.510 1213TIP3 OH242713 0.278 -4.061 1.676 1213TIP3 H142714 0.287 -4.143 1.728 1213TIP3 H242715 0.301 -3.991 1.740 1213TIP3 OH242716 0.486 -2.500 1.504 1213TIP3 H142717 0.581 -2.526 1.515 1213TIP3 H242718 0.457 -2.578 1.452 1213TIP3 OH242719 1.128 -2.610 1.776 1213TIP3 H142720 1.104 -2.694 1.732 1213TIP3 H242721 1.123 -2.548 1.702 1213TIP3 OH242722 -0.338 -4.177 2.918 1213TIP3 H142723 -0.374 -4.256 2.961 1213TIP3 H242724 -0.250 -4.211 2.896 1213TIP3 OH242725 -0.038 -4.280 3.187 1213TIP3 H142726 0.050 -4.306 3.151 1213TIP3 H242727 -0.058 -4.356 3.243 1214TIP3 OH242728 -0.252 -2.609 1.387 1214TIP3 H142729 -0.274 -2.568 1.473 1214TIP3 H242730 -0.169 -2.656 1.406 1214TIP3 OH242731 1.077 -2.734 3.016 1214TIP3 H142732 1.003 -2.753 2.955 1214TIP3 H242733 1.059 -2.640 3.036 1214TIP3 OH242734 2.497 -3.366 2.031 1214TIP3 H142735 2.496 -3.269 2.039 1214TIP3 H242736 2.420 -3.381 1.974 1214TIP3 OH242737 2.387 -3.425 2.339 1214TIP3 H142738 2.376 -3.490 2.409 1214TIP3 H242739 2.355 -3.476 2.263 1214TIP3 OH242740 1.620 -3.457 2.511 1214TIP3 H142741 1.629 -3.545 2.554 1214TIP3 H242742 1.704 -3.416 2.538 1214TIP3 OH242743 2.751 -3.148 2.169 1214TIP3 H142744 2.712 -3.218 2.222 1214TIP3 H242745 2.778 -3.085 2.238 1214TIP3 OH242746 1.695 -3.002 2.355 1214TIP3 H142747 1.673 -3.094 2.330 1214TIP3 H242748 1.789 -3.013 2.376 1214TIP3 OH242749 1.387 -3.664 1.892 1214TIP3 H142750 1.352 -3.574 1.901 1214TIP3 H242751 1.315 -3.707 1.844 1214TIP3 OH242752 1.483 -3.432 2.096 1214TIP3 H142753 1.502 -3.516 2.141 1214TIP3 H242754 1.561 -3.423 2.039 1214TIP3 OH242755 2.456 -2.612 2.225 1214TIP3 H142756 2.515 -2.684 2.194 1214TIP3 H242757 2.428 -2.646 2.311 1215TIP3 OH242758 2.232 -3.171 2.397 1215TIP3 H142759 2.263 -3.240 2.336 1215TIP3 H242760 2.315 -3.156 2.446 1215TIP3 OH242761 3.086 -4.017 2.449 1215TIP3 H142762 3.121 -3.972 2.527 1215TIP3 H242763 3.151 -3.989 2.382 1215TIP3 OH242764 2.559 -3.741 2.445 1215TIP3 H142765 2.577 -3.836 2.443 1215TIP3 H242766 2.549 -3.722 2.351 1215TIP3 OH242767 2.646 -3.922 1.988 1215TIP3 H142768 2.708 -3.965 2.051 1215TIP3 H242769 2.707 -3.877 1.928 1215TIP3 OH242770 1.561 -3.691 2.228 1215TIP3 H142771 1.637 -3.731 2.274 1215TIP3 H242772 1.569 -3.734 2.141 1215TIP3 OH242773 2.059 -3.523 2.151 1215TIP3 H142774 2.128 -3.579 2.191 1215TIP3 H242775 2.008 -3.590 2.099 1215TIP3 OH242776 3.179 -3.842 2.724 1215TIP3 H142777 3.105 -3.796 2.682 1215TIP3 H242778 3.133 -3.899 2.787 1215TIP3 OH242779 2.489 -3.080 1.908 1215TIP3 H142780 2.455 -3.105 1.821 1215TIP3 H242781 2.441 -2.997 1.926 1215TIP3 OH242782 2.032 -3.272 2.583 1215TIP3 H142783 1.957 -3.214 2.604 1215TIP3 H242784 2.091 -3.212 2.533 1215TIP3 OH242785 2.835 -4.015 2.190 1215TIP3 H142786 2.785 -4.061 2.258 1215TIP3 H242787 2.885 -3.950 2.244 1216TIP3 OH242788 1.831 -3.082 2.655 1216TIP3 H142789 1.827 -2.990 2.622 1216TIP3 H242790 1.743 -3.089 2.697 1216TIP3 OH242791 1.460 -3.112 1.742 1216TIP3 H142792 1.443 -3.062 1.660 1216TIP3 H242793 1.478 -3.041 1.807 1216TIP3 OH242794 2.806 -2.968 2.417 1216TIP3 H142795 2.710 -2.955 2.420 1216TIP3 H242796 2.835 -2.881 2.383 1216TIP3 OH242797 2.849 -4.107 2.593 1216TIP3 H142798 2.768 -4.078 2.548 1216TIP3 H242799 2.914 -4.097 2.522 1216TIP3 OH242800 2.137 -4.306 2.317 1216TIP3 H142801 2.133 -4.400 2.298 1216TIP3 H242802 2.044 -4.277 2.318 1216TIP3 OH242803 2.638 -2.775 2.078 1216TIP3 H142804 2.686 -2.853 2.044 1216TIP3 H242805 2.703 -2.704 2.063 1216TIP3 OH242806 2.783 -2.988 1.936 1216TIP3 H142807 2.728 -3.033 1.870 1216TIP3 H242808 2.777 -3.051 2.010 1216TIP3 OH242809 2.925 -3.109 2.785 1216TIP3 H142810 2.921 -3.167 2.707 1216TIP3 H242811 2.940 -3.022 2.744 1216TIP3 OH242812 2.362 -3.415 1.757 1216TIP3 H142813 2.295 -3.355 1.719 1216TIP3 H242814 2.432 -3.410 1.690 1216TIP3 OH242815 2.390 -3.595 1.461 1216TIP3 H142816 2.460 -3.565 1.522 1216TIP3 H242817 2.441 -3.653 1.403 1217TIP3 OH242818 3.109 -3.489 2.579 1217TIP3 H142819 3.038 -3.421 2.582 1217TIP3 H242820 3.160 -3.457 2.502 1217TIP3 OH242821 2.713 -3.414 1.863 1217TIP3 H142822 2.644 -3.392 1.930 1217TIP3 H242823 2.772 -3.471 1.916 1217TIP3 OH242824 2.704 -3.530 2.811 1217TIP3 H142825 2.691 -3.432 2.821 1217TIP3 H242826 2.642 -3.541 2.736 1217TIP3 OH242827 1.872 -3.339 2.041 1217TIP3 H142828 1.840 -3.383 1.960 1217TIP3 H242829 1.937 -3.404 2.074 1217TIP3 OH242830 2.010 -2.996 2.315 1217TIP3 H142831 1.997 -3.037 2.228 1217TIP3 H242832 2.089 -3.043 2.348 1217TIP3 OH242833 1.933 -3.487 2.411 1217TIP3 H142834 1.975 -3.481 2.324 1217TIP3 H242835 1.963 -3.408 2.457 1217TIP3 OH242836 2.523 -2.904 2.449 1217TIP3 H142837 2.530 -2.835 2.518 1217TIP3 H242838 2.504 -2.985 2.498 1217TIP3 OH242839 2.014 -3.027 2.876 1217TIP3 H142840 1.963 -2.957 2.921 1217TIP3 H242841 1.953 -3.053 2.805 1217TIP3 OH242842 2.609 -3.472 1.609 1217TIP3 H142843 2.656 -3.443 1.691 1217TIP3 H242844 2.658 -3.420 1.541 1217TIP3 OH242845 1.717 -3.389 2.792 1217TIP3 H142846 1.712 -3.329 2.868 1217TIP3 H242847 1.623 -3.400 2.768 1218TIP3 OH242848 2.355 -2.810 1.966 1218TIP3 H142849 2.400 -2.779 2.046 1218TIP3 H242850 2.305 -2.732 1.938 1218TIP3 OH242851 1.827 -2.808 2.955 1218TIP3 H142852 1.815 -2.802 2.858 1218TIP3 H242853 1.738 -2.833 2.986 1218TIP3 OH242854 2.930 -4.325 1.532 1218TIP3 H142855 2.882 -4.323 1.617 1218TIP3 H242856 3.005 -4.268 1.553 1218TIP3 OH242857 1.766 -3.462 1.797 1218TIP3 H142858 1.742 -3.389 1.736 1218TIP3 H242859 1.705 -3.532 1.771 1218TIP3 OH242860 3.090 -2.882 1.412 1218TIP3 H142861 3.105 -2.789 1.436 1218TIP3 H242862 3.177 -2.923 1.432 1218TIP3 OH242863 1.370 -3.195 2.667 1218TIP3 H142864 1.328 -3.196 2.579 1218TIP3 H242865 1.385 -3.290 2.684 1218TIP3 OH242866 1.376 -2.903 2.359 1218TIP3 H142867 1.468 -2.933 2.365 1218TIP3 H242868 1.371 -2.843 2.435 1218TIP3 OH242869 3.200 -2.858 2.936 1218TIP3 H142870 3.184 -2.954 2.927 1218TIP3 H242871 3.112 -2.826 2.964 1218TIP3 OH242872 2.279 -2.921 2.817 1218TIP3 H142873 2.288 -2.838 2.868 1218TIP3 H242874 2.188 -2.948 2.840 1218TIP3 OH242875 2.309 -2.538 1.815 1218TIP3 H142876 2.307 -2.530 1.718 1218TIP3 H242877 2.313 -2.446 1.844 1219TIP3 OH242878 1.689 -2.624 1.977 1219TIP3 H142879 1.703 -2.670 2.062 1219TIP3 H242880 1.606 -2.664 1.947 1219TIP3 OH242881 2.640 -2.595 1.533 1219TIP3 H142882 2.695 -2.662 1.488 1219TIP3 H242883 2.632 -2.634 1.623 1219TIP3 OH242884 2.577 -2.653 1.814 1219TIP3 H142885 2.482 -2.640 1.826 1219TIP3 H242886 2.592 -2.726 1.876 1219TIP3 OH242887 1.589 -3.041 2.792 1219TIP3 H142888 1.617 -3.089 2.872 1219TIP3 H242889 1.516 -3.095 2.758 1219TIP3 OH242890 2.369 -4.261 2.743 1219TIP3 H142891 2.383 -4.312 2.823 1219TIP3 H242892 2.275 -4.277 2.726 1219TIP3 OH242893 2.662 -3.864 2.784 1219TIP3 H142894 2.603 -3.879 2.860 1219TIP3 H242895 2.655 -3.768 2.770 1219TIP3 OH242896 2.764 -3.362 1.410 1219TIP3 H142897 2.743 -3.379 1.316 1219TIP3 H242898 2.857 -3.337 1.403 1219TIP3 OH242899 2.329 -3.994 1.454 1219TIP3 H142900 2.275 -4.004 1.536 1219TIP3 H242901 2.279 -4.054 1.395 1219TIP3 OH242902 1.897 -3.697 1.995 1219TIP3 H142903 1.808 -3.735 2.008 1219TIP3 H242904 1.923 -3.741 1.913 1219TIP3 OH242905 2.450 -3.651 1.875 1219TIP3 H142906 2.409 -3.569 1.842 1219TIP3 H242907 2.516 -3.669 1.806 1220TIP3 OH242908 2.369 -3.627 3.033 1220TIP3 H142909 2.311 -3.706 3.042 1220TIP3 H242910 2.457 -3.665 3.042 1220TIP3 OH242911 2.541 -3.711 2.152 1220TIP3 H142912 2.507 -3.653 2.080 1220TIP3 H242913 2.558 -3.792 2.100 1220TIP3 OH242914 1.618 -3.691 2.687 1220TIP3 H142915 1.668 -3.676 2.768 1220TIP3 H242916 1.611 -3.788 2.688 1220TIP3 OH242917 1.966 -3.945 1.354 1220TIP3 H142918 1.931 -3.981 1.437 1220TIP3 H242919 1.887 -3.928 1.301 1220TIP3 OH242920 1.312 -3.971 2.067 1220TIP3 H142921 1.376 -3.952 2.138 1220TIP3 H242922 1.369 -3.987 1.991 1220TIP3 OH242923 1.469 -3.912 1.626 1220TIP3 H142924 1.526 -3.862 1.565 1220TIP3 H242925 1.400 -3.845 1.646 1220TIP3 OH242926 2.486 -3.550 2.629 1220TIP3 H142927 2.505 -3.615 2.557 1220TIP3 H242928 2.407 -3.587 2.671 1220TIP3 OH242929 2.130 -3.949 2.105 1220TIP3 H142930 2.036 -3.940 2.128 1220TIP3 H242931 2.169 -3.964 2.192 1220TIP3 OH242932 1.616 -3.826 1.975 1220TIP3 H142933 1.541 -3.799 1.919 1220TIP3 H242934 1.654 -3.904 1.930 1220TIP3 OH242935 1.987 -3.798 1.730 1220TIP3 H142936 2.082 -3.782 1.742 1220TIP3 H242937 1.959 -3.730 1.667 1221TIP3 OH242938 2.599 -4.034 2.401 1221TIP3 H142939 2.533 -4.035 2.473 1221TIP3 H242940 2.544 -4.064 2.327 1221TIP3 OH242941 1.830 -3.668 1.512 1221TIP3 H142942 1.774 -3.696 1.438 1221TIP3 H242943 1.913 -3.649 1.465 1221TIP3 OH242944 1.696 -3.195 3.011 1221TIP3 H142945 1.763 -3.183 3.082 1221TIP3 H242946 1.615 -3.196 3.065 1221TIP3 OH242947 2.272 -3.693 2.288 1221TIP3 H142948 2.337 -3.748 2.241 1221TIP3 H242949 2.239 -3.754 2.357 1221TIP3 OH242950 1.787 -4.053 1.900 1221TIP3 H142951 1.750 -4.135 1.936 1221TIP3 H242952 1.875 -4.080 1.872 1221TIP3 OH242953 2.146 -3.829 2.516 1221TIP3 H142954 2.058 -3.790 2.505 1221TIP3 H242955 2.176 -3.798 2.604 1221TIP3 OH242956 2.178 -3.209 1.696 1221TIP3 H142957 2.102 -3.260 1.661 1221TIP3 H242958 2.159 -3.206 1.793 1221TIP3 OH242959 2.900 -3.298 2.570 1221TIP3 H142960 2.950 -3.242 2.507 1221TIP3 H242961 2.815 -3.307 2.522 1221TIP3 OH242962 2.596 -3.930 1.457 1221TIP3 H142963 2.498 -3.939 1.460 1221TIP3 H242964 2.614 -3.863 1.526 1221TIP3 OH242965 2.355 -3.207 2.834 1221TIP3 H142966 2.308 -3.239 2.912 1221TIP3 H242967 2.318 -3.117 2.824 1222TIP3 OH242968 2.661 -3.749 1.673 1222TIP3 H142969 2.748 -3.762 1.716 1222TIP3 H242970 2.670 -3.660 1.635 1222TIP3 OH242971 1.709 -3.275 2.283 1222TIP3 H142972 1.757 -3.290 2.200 1222TIP3 H242973 1.702 -3.365 2.319 1222TIP3 OH242974 2.419 -3.073 1.589 1222TIP3 H142975 2.393 -2.987 1.628 1222TIP3 H242976 2.343 -3.129 1.616 1222TIP3 OH242977 1.409 -3.439 2.810 1222TIP3 H142978 1.436 -3.490 2.889 1222TIP3 H242979 1.363 -3.505 2.756 1222TIP3 OH242980 2.112 -3.495 3.006 1222TIP3 H142981 2.068 -3.520 2.922 1222TIP3 H242982 2.204 -3.519 2.985 1222TIP3 OH242983 2.572 -2.961 2.777 1222TIP3 H142984 2.476 -2.947 2.770 1222TIP3 H242985 2.591 -2.926 2.865 1222TIP3 OH242986 3.123 -3.746 1.653 1222TIP3 H142987 3.066 -3.765 1.575 1222TIP3 H242988 3.134 -3.650 1.639 1222TIP3 OH242989 3.158 -3.157 2.936 1222TIP3 H142990 3.063 -3.141 2.914 1222TIP3 H242991 3.194 -3.168 2.846 1222TIP3 OH242992 2.943 -2.883 1.663 1222TIP3 H142993 2.919 -2.960 1.717 1222TIP3 H242994 2.996 -2.921 1.592 1222TIP3 OH242995 2.668 -3.351 2.401 1222TIP3 H142996 2.574 -3.365 2.376 1222TIP3 H242997 2.710 -3.423 2.349 1223TIP3 OH242998 1.931 -2.942 2.004 1223TIP3 H142999 1.973 -2.855 1.991 1223TIP3 H243000 1.839 -2.923 1.980 1223TIP3 OH243001 1.530 -3.463 1.465 1223TIP3 H143002 1.588 -3.396 1.505 1223TIP3 H243003 1.442 -3.434 1.498 1223TIP3 OH243004 2.115 -3.172 1.968 1223TIP3 H143005 2.081 -3.082 1.981 1223TIP3 H243006 2.045 -3.225 2.010 1223TIP3 OH243007 2.130 -2.747 2.602 1223TIP3 H143008 2.186 -2.672 2.573 1223TIP3 H243009 2.193 -2.796 2.658 1223TIP3 OH243010 1.975 -2.652 1.928 1223TIP3 H143011 1.879 -2.637 1.934 1223TIP3 H243012 2.010 -2.563 1.949 1223TIP3 OH243013 2.476 -3.176 2.563 1223TIP3 H143014 2.448 -3.199 2.654 1223TIP3 H243015 2.549 -3.238 2.547 1223TIP3 OH243016 2.689 -3.040 1.451 1223TIP3 H143017 2.730 -3.087 1.526 1223TIP3 H243018 2.596 -3.055 1.474 1223TIP3 OH243019 2.769 -2.716 2.800 1223TIP3 H143020 2.693 -2.754 2.752 1223TIP3 H243021 2.784 -2.633 2.749 1223TIP3 OH243022 3.163 -2.615 1.504 1223TIP3 H143023 3.231 -2.550 1.481 1223TIP3 H243024 3.085 -2.557 1.506 1223TIP3 OH243025 1.563 -3.963 2.763 1223TIP3 H143026 1.481 -3.949 2.713 1223TIP3 H243027 1.549 -4.055 2.790 1224TIP3 OH243028 2.785 -3.180 1.689 1224TIP3 H143029 2.757 -3.252 1.748 1224TIP3 H243030 2.882 -3.182 1.699 1224TIP3 OH243031 1.527 -2.803 2.606 1224TIP3 H143032 1.556 -2.894 2.622 1224TIP3 H243033 1.549 -2.762 2.691 1224TIP3 OH243034 2.113 -2.936 1.309 1224TIP3 H143035 2.140 -3.015 1.258 1224TIP3 H243036 2.069 -2.977 1.386 1224TIP3 OH243037 1.997 -2.985 1.579 1224TIP3 H143038 2.048 -3.038 1.643 1224TIP3 H243039 2.011 -2.894 1.612 1224TIP3 OH243040 1.680 -3.241 1.619 1224TIP3 H143041 1.608 -3.203 1.672 1224TIP3 H243042 1.727 -3.161 1.591 1224TIP3 OH243043 2.436 -4.003 2.632 1224TIP3 H143044 2.507 -3.983 2.695 1224TIP3 H243045 2.403 -4.089 2.662 1224TIP3 OH243046 2.526 -4.059 1.744 1224TIP3 H143047 2.524 -3.998 1.669 1224TIP3 H243048 2.555 -4.001 1.816 1224TIP3 OH243049 2.292 -2.821 1.643 1224TIP3 H143050 2.209 -2.773 1.659 1224TIP3 H243051 2.326 -2.776 1.564 1224TIP3 OH243052 2.256 -3.857 1.855 1224TIP3 H143053 2.326 -3.789 1.868 1224TIP3 H243054 2.214 -3.863 1.943 1224TIP3 OH243055 2.273 -3.765 2.762 1224TIP3 H143056 2.297 -3.705 2.833 1224TIP3 H243057 2.341 -3.833 2.761 1225TIP3 OH243058 2.332 -4.168 1.956 1225TIP3 H143059 2.290 -4.089 1.993 1225TIP3 H243060 2.377 -4.130 1.878 1225TIP3 OH243061 2.013 -2.715 1.643 1225TIP3 H143062 2.005 -2.635 1.587 1225TIP3 H243063 1.998 -2.680 1.732 1225TIP3 OH243064 1.874 -4.049 1.602 1225TIP3 H143065 1.878 -3.966 1.653 1225TIP3 H243066 1.959 -4.089 1.627 1225TIP3 OH243067 2.932 -3.964 2.840 1225TIP3 H143068 2.838 -3.940 2.838 1225TIP3 H243069 2.941 -3.993 2.748 1225TIP3 OH243070 2.767 -3.574 2.249 1225TIP3 H143071 2.686 -3.618 2.220 1225TIP3 H243072 2.816 -3.647 2.294 1225TIP3 OH243073 1.723 -2.961 1.496 1225TIP3 H143074 1.797 -2.911 1.535 1225TIP3 H243075 1.772 -3.010 1.428 1225TIP3 OH243076 1.538 -3.745 1.406 1225TIP3 H143077 1.552 -3.651 1.429 1225TIP3 H243078 1.451 -3.743 1.365 1225TIP3 OH243079 2.870 -2.690 2.389 1225TIP3 H143080 2.850 -2.606 2.343 1225TIP3 H243081 2.962 -2.674 2.415 1225TIP3 OH243082 1.600 -4.238 2.323 1225TIP3 H143083 1.642 -4.218 2.238 1225TIP3 H243084 1.582 -4.332 2.315 1225TIP3 OH243085 1.519 -2.889 1.914 1225TIP3 H143086 1.441 -2.837 1.937 1225TIP3 H243087 1.557 -2.837 1.842 1226TIP3 OH243088 1.462 -2.599 3.027 1226TIP3 H143089 1.517 -2.626 3.102 1226TIP3 H243090 1.421 -2.684 3.000 1226TIP3 OH243091 1.925 -2.697 3.209 1226TIP3 H143092 2.000 -2.756 3.225 1226TIP3 H243093 1.905 -2.717 3.116 1226TIP3 OH243094 2.335 -2.767 1.360 1226TIP3 H143095 2.258 -2.827 1.349 1226TIP3 H243096 2.405 -2.822 1.321 1226TIP3 OH243097 2.573 -2.862 3.065 1226TIP3 H143098 2.539 -2.945 3.103 1226TIP3 H243099 2.645 -2.839 3.126 1226TIP3 OH243100 2.798 -2.774 1.370 1226TIP3 H143101 2.810 -2.857 1.420 1226TIP3 H243102 2.876 -2.773 1.312 1226TIP3 OH243103 1.455 -3.236 3.141 1226TIP3 H143104 1.465 -3.326 3.104 1226TIP3 H243105 1.379 -3.204 3.089 1226TIP3 OH243106 1.877 -3.193 1.342 1226TIP3 H143107 1.893 -3.252 1.417 1226TIP3 H243108 1.963 -3.197 1.296 1226TIP3 OH243109 2.122 -3.219 3.072 1226TIP3 H143110 2.087 -3.180 2.990 1226TIP3 H243111 2.120 -3.315 3.054 1226TIP3 OH243112 2.402 -3.060 1.304 1226TIP3 H143113 2.396 -3.065 1.401 1226TIP3 H243114 2.396 -3.155 1.281 1226TIP3 OH243115 2.664 -3.263 2.846 1226TIP3 H143116 2.731 -3.200 2.815 1226TIP3 H243117 2.583 -3.210 2.836 1227TIP3 OH243118 1.541 -3.520 3.057 1227TIP3 H143119 1.612 -3.586 3.057 1227TIP3 H243120 1.535 -3.500 3.152 1227TIP3 OH243121 1.986 -3.385 1.577 1227TIP3 H143122 1.925 -3.436 1.632 1227TIP3 H243123 2.015 -3.453 1.512 1227TIP3 OH243124 1.918 -3.605 2.800 1227TIP3 H143125 1.853 -3.533 2.809 1227TIP3 H243126 1.962 -3.579 2.717 1227TIP3 OH243127 2.080 -3.583 1.401 1227TIP3 H143128 2.076 -3.575 1.304 1227TIP3 H243129 2.176 -3.588 1.416 1227TIP3 OH243130 2.437 -3.331 3.164 1227TIP3 H143131 2.523 -3.334 3.122 1227TIP3 H243132 2.412 -3.424 3.172 1227TIP3 OH243133 3.033 -3.332 1.333 1227TIP3 H143134 3.021 -3.374 1.247 1227TIP3 H243135 3.021 -3.237 1.309 1227TIP3 OH243136 1.969 -3.875 2.913 1227TIP3 H143137 1.965 -3.943 2.844 1227TIP3 H243138 1.949 -3.795 2.861 1227TIP3 OH243139 1.990 -4.041 2.648 1227TIP3 H143140 2.051 -3.988 2.594 1227TIP3 H243141 1.908 -4.023 2.597 1227TIP3 OH243142 2.177 -3.479 2.705 1227TIP3 H143143 2.238 -3.489 2.632 1227TIP3 H243144 2.125 -3.401 2.675 1227TIP3 OH243145 2.657 -3.678 3.171 1227TIP3 H143146 2.628 -3.771 3.169 1227TIP3 H243147 2.745 -3.690 3.213 1228TIP3 OH243148 1.797 -3.700 3.103 1228TIP3 H143149 1.736 -3.775 3.092 1228TIP3 H243150 1.869 -3.726 3.044 1228TIP3 OH243151 2.062 -4.282 2.779 1228TIP3 H143152 2.060 -4.190 2.743 1228TIP3 H243153 1.973 -4.311 2.753 1228TIP3 OH243154 2.200 -3.843 3.075 1228TIP3 H143155 2.159 -3.873 3.158 1228TIP3 H243156 2.125 -3.860 3.014 1228TIP3 OH243157 2.466 -3.934 2.980 1228TIP3 H143158 2.371 -3.934 3.003 1228TIP3 H243159 2.498 -4.010 3.032 1228TIP3 OH243160 2.631 -4.121 3.157 1228TIP3 H143161 2.616 -4.214 3.180 1228TIP3 H243162 2.605 -4.075 3.238 1228TIP3 OH243163 1.663 -3.957 3.076 1228TIP3 H143164 1.638 -4.017 3.003 1228TIP3 H243165 1.621 -4.000 3.152 1228TIP3 OH243166 2.168 -4.142 3.182 1228TIP3 H143167 2.145 -4.226 3.137 1228TIP3 H243168 2.081 -4.098 3.188 1228TIP3 OH243169 2.058 -2.461 1.512 1228TIP3 H143170 2.154 -2.448 1.520 1228TIP3 H243171 2.041 -2.414 1.429 1228TIP3 OH243172 1.448 -3.021 1.467 1228TIP3 H143173 1.544 -3.001 1.478 1228TIP3 H243174 1.451 -3.098 1.407 1228TIP3 OH243175 1.348 -2.501 1.938 1228TIP3 H143176 1.277 -2.538 1.883 1228TIP3 H243177 1.357 -2.570 2.007 1229TIP3 OH243178 1.387 -2.699 2.137 1229TIP3 H143179 1.357 -2.786 2.168 1229TIP3 H243180 1.421 -2.663 2.220 1229TIP3 OH243181 3.141 -2.576 2.441 1229TIP3 H143182 3.149 -2.569 2.538 1229TIP3 H243183 3.228 -2.547 2.413 1229TIP3 OH243184 3.134 -2.617 2.722 1229TIP3 H143185 3.074 -2.690 2.698 1229TIP3 H243186 3.182 -2.655 2.797 1229TIP3 OH243187 2.933 -3.080 3.161 1229TIP3 H143188 2.844 -3.066 3.198 1229TIP3 H243189 2.978 -2.998 3.184 1229TIP3 OH243190 3.071 -3.194 1.727 1229TIP3 H143191 3.162 -3.162 1.744 1229TIP3 H243192 3.062 -3.258 1.800 1229TIP3 OH243193 3.116 -3.398 1.925 1229TIP3 H143194 3.050 -3.455 1.968 1229TIP3 H243195 3.185 -3.387 1.993 1229TIP3 OH243196 3.089 -3.151 2.426 1229TIP3 H143197 3.150 -3.197 2.366 1229TIP3 H243198 3.099 -3.059 2.396 1229TIP3 OH243199 2.961 -2.861 2.651 1229TIP3 H143200 2.889 -2.815 2.698 1229TIP3 H243201 2.916 -2.893 2.570 1229TIP3 OH243202 3.143 -3.454 1.583 1229TIP3 H143203 3.091 -3.426 1.505 1229TIP3 H243204 3.129 -3.379 1.643 1229TIP3 OH243205 2.971 -3.699 1.409 1229TIP3 H143206 2.996 -3.639 1.338 1229TIP3 H243207 2.944 -3.779 1.360 1230TIP3 OH243208 2.912 -3.584 2.008 1230TIP3 H143209 2.903 -3.679 1.988 1230TIP3 H243210 2.872 -3.577 2.096 1230TIP3 OH243211 1.395 -3.361 2.377 1230TIP3 H143212 1.421 -3.364 2.283 1230TIP3 H243213 1.479 -3.385 2.420 1230TIP3 OH243214 3.065 -3.584 3.021 1230TIP3 H143215 3.042 -3.653 2.957 1230TIP3 H243216 3.161 -3.601 3.030 1230TIP3 OH243217 2.911 -3.968 1.326 1230TIP3 H143218 2.969 -4.013 1.390 1230TIP3 H243219 2.829 -4.018 1.334 1230TIP3 OH243220 2.894 -3.827 1.827 1230TIP3 H143221 2.911 -3.924 1.832 1230TIP3 H243222 2.976 -3.797 1.783 1230TIP3 OH243223 2.919 -3.774 2.366 1230TIP3 H143224 3.017 -3.767 2.363 1230TIP3 H243225 2.905 -3.776 2.462 1230TIP3 OH243226 2.933 -3.702 2.657 1230TIP3 H143227 2.851 -3.660 2.687 1230TIP3 H243228 2.985 -3.625 2.626 1230TIP3 OH243229 1.386 -3.836 3.019 1230TIP3 H143230 1.479 -3.860 3.007 1230TIP3 H243231 1.344 -3.923 3.022 1230TIP3 OH243232 3.146 -4.275 3.225 1230TIP3 H143233 3.205 -4.349 3.207 1230TIP3 H243234 3.155 -4.215 3.147 1230TIP3 OH243235 2.923 -4.098 1.834 1230TIP3 H143236 2.945 -4.150 1.913 1230TIP3 H243237 2.861 -4.159 1.789 1231TIP3 OH243238 1.488 -3.991 2.312 1231TIP3 H143239 1.527 -4.081 2.325 1231TIP3 H243240 1.568 -3.940 2.336 1231TIP3 OH243241 1.315 -3.721 2.389 1231TIP3 H143242 1.388 -3.743 2.328 1231TIP3 H243243 1.359 -3.654 2.443 1231TIP3 OH243244 3.131 -4.106 3.010 1231TIP3 H143245 3.045 -4.061 3.010 1231TIP3 H243246 3.127 -4.146 2.921 1231TIP3 OH243247 3.137 -4.059 1.498 1231TIP3 H143248 3.154 -4.143 1.449 1231TIP3 H243249 3.223 -4.014 1.494 1231TIP3 OH243250 1.369 -4.107 1.799 1231TIP3 H143251 1.275 -4.090 1.786 1231TIP3 H243252 1.411 -4.035 1.748 1231TIP3 OH243253 2.829 -2.564 2.016 1231TIP3 H143254 2.877 -2.592 1.937 1231TIP3 H243255 2.899 -2.534 2.074 1231TIP3 OH243256 1.362 -4.149 2.653 1231TIP3 H143257 1.303 -4.219 2.684 1231TIP3 H243258 1.327 -4.128 2.565 1231TIP3 OH243259 1.570 -2.899 3.093 1231TIP3 H143260 1.500 -2.900 3.026 1231TIP3 H243261 1.520 -2.898 3.175 1231TIP3 OH243262 1.854 -2.797 2.658 1231TIP3 H143263 1.823 -2.712 2.622 1231TIP3 H243264 1.950 -2.788 2.640 1231TIP3 OH243265 2.304 -2.669 2.958 1231TIP3 H143266 2.321 -2.684 3.052 1231TIP3 H243267 2.385 -2.622 2.931 1232TIP3 OH243268 2.530 -2.526 2.885 1232TIP3 H143269 2.601 -2.586 2.855 1232TIP3 H243270 2.570 -2.490 2.966 1232TIP3 OH243271 2.992 -4.276 2.804 1232TIP3 H143272 2.941 -4.214 2.748 1232TIP3 H243273 3.013 -4.343 2.738 1232TIP3 OH243274 1.592 -2.502 2.691 1232TIP3 H143275 1.532 -2.440 2.646 1232TIP3 H243276 1.557 -2.499 2.780 1232TIP3 OH243277 1.842 -2.525 2.546 1232TIP3 H143278 1.755 -2.507 2.590 1232TIP3 H243279 1.844 -2.457 2.477 1232TIP3 OH243280 2.317 -2.527 2.502 1232TIP3 H143281 2.279 -2.482 2.425 1232TIP3 H243282 2.326 -2.452 2.565 1232TIP3 OH243283 2.556 -2.650 2.593 1232TIP3 H143284 2.472 -2.614 2.559 1232TIP3 H243285 2.612 -2.571 2.591 1232TIP3 OH243286 2.805 -2.490 2.627 1232TIP3 H143287 2.817 -2.393 2.624 1232TIP3 H243288 2.842 -2.516 2.542 1232TIP3 OH243289 1.550 -2.623 2.385 1232TIP3 H143290 1.548 -2.673 2.470 1232TIP3 H243291 1.625 -2.667 2.341 1232TIP3 OH243292 1.751 -2.747 2.230 1232TIP3 H143293 1.736 -2.841 2.255 1232TIP3 H243294 1.843 -2.733 2.260 1232TIP3 OH243295 2.028 -2.701 2.317 1232TIP3 H143296 2.046 -2.794 2.295 1232TIP3 H243297 2.034 -2.705 2.414 1233TIP3 OH243298 2.357 -4.108 2.251 1233TIP3 H143299 2.288 -4.172 2.277 1233TIP3 H243300 2.405 -4.156 2.182 1233TIP3 OH243301 2.884 -4.328 2.294 1233TIP3 H143302 2.944 -4.289 2.228 1233TIP3 H243303 2.797 -4.306 2.258 1233TIP3 OH243304 3.084 -4.226 2.077 1233TIP3 H143305 3.134 -4.246 1.997 1233TIP3 H243306 3.099 -4.130 2.086 1233TIP3 OH243307 1.590 -4.280 1.976 1233TIP3 H143308 1.500 -4.310 1.959 1233TIP3 H243309 1.632 -4.358 2.014 1233TIP3 OH243310 1.448 -4.291 1.602 1233TIP3 H143311 1.498 -4.243 1.532 1233TIP3 H243312 1.417 -4.217 1.657 1233TIP3 OH243313 2.055 -4.248 1.983 1233TIP3 H143314 2.150 -4.229 1.993 1233TIP3 H243315 2.030 -4.288 2.067 1233TIP3 OH243316 2.607 -4.267 2.145 1233TIP3 H143317 2.627 -4.259 2.052 1233TIP3 H243318 2.582 -4.360 2.155 1233TIP3 OH243319 2.709 -4.273 1.736 1233TIP3 H143320 2.634 -4.212 1.719 1233TIP3 H243321 2.667 -4.359 1.734 1233TIP3 OH243322 1.492 -2.696 1.708 1233TIP3 H143323 1.431 -2.707 1.634 1233TIP3 H243324 1.492 -2.600 1.715 1233TIP3 OH243325 1.644 -4.126 1.447 1233TIP3 H143326 1.715 -4.160 1.390 1233TIP3 H243327 1.696 -4.075 1.513 1234TIP3 OH243328 2.170 -4.059 1.673 1234TIP3 H143329 2.174 -4.146 1.718 1234TIP3 H243330 2.180 -3.994 1.744 1234TIP3 OH243331 2.362 -2.514 1.521 1234TIP3 H143332 2.460 -2.512 1.515 1234TIP3 H243333 2.341 -2.578 1.452 1234TIP3 OH243334 3.014 -2.611 1.778 1234TIP3 H143335 2.989 -2.695 1.735 1234TIP3 H243336 3.006 -2.549 1.703 1234TIP3 OH243337 1.552 -4.180 2.928 1234TIP3 H143338 1.513 -4.259 2.968 1234TIP3 H243339 1.641 -4.214 2.909 1234TIP3 OH243340 1.849 -4.278 3.190 1234TIP3 H143341 1.935 -4.306 3.151 1234TIP3 H243342 1.823 -4.358 3.237 1234TIP3 OH243343 1.636 -2.605 1.388 1234TIP3 H143344 1.615 -2.572 1.476 1234TIP3 H243345 1.716 -2.657 1.402 1234TIP3 OH243346 2.961 -2.718 3.026 1234TIP3 H143347 2.891 -2.728 2.960 1234TIP3 H243348 2.977 -2.622 3.025 1234TIP3 OH243349 4.213 -3.458 2.344 1234TIP3 H143350 4.291 -3.430 2.395 1234TIP3 H243351 4.248 -3.459 2.254 1234TIP3 OH243352 3.514 -3.464 2.505 1234TIP3 H143353 3.515 -3.539 2.567 1234TIP3 H243354 3.588 -3.410 2.539 1234TIP3 OH243355 3.582 -2.999 2.352 1234TIP3 H143356 3.557 -3.091 2.328 1234TIP3 H243357 3.674 -3.013 2.377 1235TIP3 OH243358 3.279 -3.662 1.893 1235TIP3 H143359 3.241 -3.573 1.901 1235TIP3 H243360 3.207 -3.710 1.852 1235TIP3 OH243361 3.361 -3.414 2.078 1235TIP3 H143362 3.375 -3.497 2.127 1235TIP3 H243363 3.445 -3.404 2.031 1235TIP3 OH243364 4.120 -3.171 2.404 1235TIP3 H143365 4.146 -3.245 2.347 1235TIP3 H243366 4.204 -3.151 2.447 1235TIP3 OH243367 3.742 -3.941 2.155 1235TIP3 H143368 3.759 -3.856 2.110 1235TIP3 H243369 3.708 -3.993 2.079 1235TIP3 OH243370 3.411 -3.663 2.202 1235TIP3 H143371 3.473 -3.711 2.259 1235TIP3 H243372 3.420 -3.712 2.119 1235TIP3 OH243373 3.951 -3.529 2.151 1235TIP3 H143374 4.027 -3.580 2.185 1235TIP3 H243375 3.902 -3.598 2.103 1235TIP3 OH243376 3.620 -4.056 2.573 1235TIP3 H143377 3.588 -4.002 2.499 1235TIP3 H243378 3.553 -4.033 2.641 1235TIP3 OH243379 3.915 -3.275 2.583 1235TIP3 H143380 3.843 -3.214 2.607 1235TIP3 H243381 3.981 -3.215 2.544 1235TIP3 OH243382 3.584 -3.856 2.364 1235TIP3 H143383 3.647 -3.795 2.407 1235TIP3 H243384 3.640 -3.890 2.291 1235TIP3 OH243385 3.715 -3.084 2.653 1235TIP3 H143386 3.714 -2.991 2.622 1235TIP3 H243387 3.628 -3.086 2.697 1236TIP3 OH243388 3.348 -3.112 1.741 1236TIP3 H143389 3.327 -3.062 1.661 1236TIP3 H243390 3.364 -3.042 1.808 1236TIP3 OH243391 4.046 4.379 2.291 1236TIP3 H143392 4.045 4.283 2.306 1236TIP3 H243393 3.960 4.410 2.325 1236TIP3 OH243394 4.264 -3.433 1.743 1236TIP3 H143395 4.199 -3.361 1.732 1236TIP3 H243396 4.334 -3.403 1.685 1236TIP3 OH243397 4.287 -3.582 1.464 1236TIP3 H143398 4.369 -3.582 1.516 1236TIP3 H243399 4.297 -3.660 1.408 1236TIP3 OH243400 3.758 -3.339 2.042 1236TIP3 H143401 3.728 -3.382 1.960 1236TIP3 H243402 3.823 -3.403 2.075 1236TIP3 OH243403 3.898 -2.999 2.316 1236TIP3 H143404 3.888 -3.040 2.229 1236TIP3 H243405 3.977 -3.045 2.351 1236TIP3 OH243406 3.816 -3.457 2.390 1236TIP3 H143407 3.876 -3.458 2.312 1236TIP3 H243408 3.858 -3.391 2.448 1236TIP3 OH243409 3.902 -3.023 2.873 1236TIP3 H143410 3.851 -2.955 2.921 1236TIP3 H243411 3.840 -3.048 2.803 1236TIP3 OH243412 3.595 -3.390 2.790 1236TIP3 H143413 3.600 -3.327 2.864 1236TIP3 H243414 3.500 -3.395 2.774 1236TIP3 OH243415 4.251 -2.815 1.960 1236TIP3 H143416 4.299 -2.765 2.028 1236TIP3 H243417 4.199 -2.745 1.918 1237TIP3 OH243418 3.714 -2.811 2.954 1237TIP3 H143419 3.702 -2.802 2.857 1237TIP3 H243420 3.622 -2.825 2.984 1237TIP3 OH243421 3.649 -3.463 1.796 1237TIP3 H143422 3.630 -3.387 1.738 1237TIP3 H243423 3.583 -3.527 1.766 1237TIP3 OH243424 3.257 -3.195 2.666 1237TIP3 H143425 3.213 -3.194 2.579 1237TIP3 H243426 3.269 -3.291 2.682 1237TIP3 OH243427 3.262 -2.902 2.359 1237TIP3 H143428 3.354 -2.930 2.368 1237TIP3 H243429 3.253 -2.842 2.434 1237TIP3 OH243430 4.173 -2.921 2.823 1237TIP3 H143431 4.180 -2.832 2.861 1237TIP3 H243432 4.082 -2.948 2.845 1237TIP3 OH243433 4.176 -2.533 1.811 1237TIP3 H143434 4.207 -2.538 1.720 1237TIP3 H243435 4.212 -2.450 1.844 1237TIP3 OH243436 3.573 -2.622 1.979 1237TIP3 H143437 3.589 -2.669 2.063 1237TIP3 H243438 3.492 -2.665 1.948 1237TIP3 OH243439 3.477 -3.044 2.789 1237TIP3 H143440 3.500 -3.089 2.872 1237TIP3 H243441 3.399 -3.093 2.758 1237TIP3 OH243442 3.795 -4.219 2.382 1237TIP3 H143443 3.711 -4.238 2.339 1237TIP3 H243444 3.776 -4.135 2.425 1237TIP3 OH243445 4.223 -4.291 2.743 1237TIP3 H143446 4.251 -4.356 2.812 1237TIP3 H243447 4.131 -4.279 2.768 1238TIP3 OH243448 4.227 -3.991 1.464 1238TIP3 H143449 4.161 -4.003 1.534 1238TIP3 H243450 4.189 -4.050 1.396 1238TIP3 OH243451 3.778 -3.714 2.509 1238TIP3 H143452 3.718 -3.701 2.584 1238TIP3 H243453 3.788 -3.624 2.473 1238TIP3 OH243454 3.774 -3.711 1.999 1238TIP3 H143455 3.679 -3.717 1.982 1238TIP3 H243456 3.809 -3.726 1.909 1238TIP3 OH243457 4.293 -3.682 1.887 1238TIP3 H143458 4.266 -3.589 1.875 1238TIP3 H243459 4.317 -3.707 1.798 1238TIP3 OH243460 4.250 -3.626 3.029 1238TIP3 H143461 4.193 -3.706 3.041 1238TIP3 H243462 4.337 -3.670 3.032 1238TIP3 OH243463 3.517 -3.697 2.692 1238TIP3 H143464 3.547 -3.669 2.780 1238TIP3 H243465 3.478 -3.784 2.712 1238TIP3 OH243466 3.861 -3.939 1.352 1238TIP3 H143467 3.821 -3.978 1.431 1238TIP3 H243468 3.784 -3.924 1.294 1238TIP3 OH243469 3.197 -3.956 2.057 1238TIP3 H143470 3.255 -3.957 2.135 1238TIP3 H243471 3.252 -3.993 1.987 1238TIP3 OH243472 3.358 -3.910 1.629 1238TIP3 H143473 3.411 -3.860 1.564 1238TIP3 H243474 3.286 -3.847 1.646 1238TIP3 OH243475 4.350 -3.572 2.634 1238TIP3 H143476 4.380 -3.638 2.567 1238TIP3 H243477 4.272 -3.617 2.669 1239TIP3 OH243478 4.047 -3.972 2.097 1239TIP3 H143479 3.955 -3.963 2.126 1239TIP3 H243480 4.095 -3.957 2.180 1239TIP3 OH243481 3.507 -3.827 1.968 1239TIP3 H143482 3.427 -3.798 1.921 1239TIP3 H243483 3.535 -3.908 1.920 1239TIP3 OH243484 3.865 -3.791 1.736 1239TIP3 H143485 3.961 -3.788 1.741 1239TIP3 H243486 3.843 -3.731 1.662 1239TIP3 OH243487 3.722 -3.670 1.511 1239TIP3 H143488 3.662 -3.694 1.439 1239TIP3 H243489 3.804 -3.653 1.461 1239TIP3 OH243490 3.576 -3.204 3.014 1239TIP3 H143491 3.648 -3.193 3.079 1239TIP3 H243492 3.501 -3.176 3.068 1239TIP3 OH243493 4.141 -3.736 2.239 1239TIP3 H143494 4.220 -3.770 2.197 1239TIP3 H243495 4.164 -3.743 2.333 1239TIP3 OH243496 3.668 -4.066 1.907 1239TIP3 H143497 3.622 -4.152 1.917 1239TIP3 H243498 3.750 -4.092 1.864 1239TIP3 OH243499 4.048 -3.859 2.513 1239TIP3 H143500 3.979 -3.792 2.496 1239TIP3 H243501 4.101 -3.816 2.582 1239TIP3 OH243502 4.073 -3.225 1.701 1239TIP3 H143503 3.995 -3.271 1.664 1239TIP3 H243504 4.049 -3.214 1.796 1239TIP3 OH243505 4.205 -3.224 2.824 1239TIP3 H143506 4.184 -3.233 2.917 1239TIP3 H243507 4.214 -3.128 2.812 1240TIP3 OH243508 3.579 -3.271 2.279 1240TIP3 H143509 3.635 -3.281 2.200 1240TIP3 H243510 3.590 -3.357 2.322 1240TIP3 OH243511 4.287 -3.082 1.597 1240TIP3 H143512 4.260 -2.993 1.627 1240TIP3 H243513 4.211 -3.135 1.629 1240TIP3 OH243514 3.305 -3.443 2.803 1240TIP3 H143515 3.326 -3.491 2.885 1240TIP3 H243516 3.247 -3.504 2.754 1240TIP3 OH243517 4.001 -3.494 3.007 1240TIP3 H143518 3.967 -3.523 2.921 1240TIP3 H243519 4.096 -3.518 2.999 1240TIP3 OH243520 3.815 -2.943 2.003 1240TIP3 H143521 3.858 -2.857 1.992 1240TIP3 H243522 3.723 -2.922 1.982 1240TIP3 OH243523 3.415 -3.463 1.466 1240TIP3 H143524 3.473 -3.394 1.505 1240TIP3 H243525 3.328 -3.435 1.498 1240TIP3 OH243526 3.994 -3.174 1.964 1240TIP3 H143527 3.968 -3.082 1.980 1240TIP3 H243528 3.923 -3.223 2.008 1240TIP3 OH243529 4.020 -2.743 2.606 1240TIP3 H143530 4.078 -2.672 2.572 1240TIP3 H243531 4.083 -2.796 2.655 1240TIP3 OH243532 3.859 -2.652 1.924 1240TIP3 H143533 3.764 -2.637 1.936 1240TIP3 H243534 3.896 -2.565 1.949 1240TIP3 OH243535 3.435 -3.959 2.768 1240TIP3 H143536 3.344 -3.941 2.736 1240TIP3 H243537 3.420 -4.046 2.810 1241TIP3 OH243538 3.416 -2.802 2.604 1241TIP3 H143539 3.442 -2.892 2.627 1241TIP3 H243540 3.424 -2.759 2.691 1241TIP3 OH243541 3.993 -2.933 1.309 1241TIP3 H143542 4.029 -3.008 1.258 1241TIP3 H243543 3.957 -2.978 1.387 1241TIP3 OH243544 3.885 -2.990 1.584 1241TIP3 H143545 3.934 -3.041 1.651 1241TIP3 H243546 3.899 -2.898 1.614 1241TIP3 OH243547 3.566 -3.241 1.619 1241TIP3 H143548 3.493 -3.203 1.672 1241TIP3 H243549 3.614 -3.161 1.591 1241TIP3 OH243550 4.329 -3.932 2.679 1241TIP3 H143551 4.393 -4.004 2.667 1241TIP3 H243552 4.268 -3.960 2.609 1241TIP3 OH243553 4.169 -2.823 1.637 1241TIP3 H143554 4.088 -2.772 1.657 1241TIP3 H243555 4.209 -2.770 1.568 1241TIP3 OH243556 4.118 -3.879 1.847 1241TIP3 H143557 4.186 -3.813 1.872 1241TIP3 H243558 4.085 -3.900 1.937 1241TIP3 OH243559 4.149 -3.762 2.775 1241TIP3 H143560 4.185 -3.704 2.842 1241TIP3 H243561 4.220 -3.828 2.762 1241TIP3 OH243562 4.200 -4.171 1.968 1241TIP3 H143563 4.172 -4.085 2.007 1241TIP3 H243564 4.272 -4.145 1.908 1241TIP3 OH243565 3.894 -2.717 1.641 1241TIP3 H143566 3.890 -2.635 1.589 1241TIP3 H243567 3.882 -2.683 1.732 1242TIP3 OH243568 3.766 -4.051 1.595 1242TIP3 H143569 3.767 -3.967 1.645 1242TIP3 H243570 3.856 -4.083 1.614 1242TIP3 OH243571 3.611 -2.959 1.495 1242TIP3 H143572 3.685 -2.912 1.537 1242TIP3 H243573 3.660 -3.011 1.429 1242TIP3 OH243574 3.423 -3.745 1.408 1242TIP3 H143575 3.435 -3.650 1.430 1242TIP3 H243576 3.338 -3.744 1.363 1242TIP3 OH243577 3.443 -4.241 2.306 1242TIP3 H143578 3.476 -4.241 2.215 1242TIP3 H243579 3.459 -4.335 2.328 1242TIP3 OH243580 3.405 -2.890 1.913 1242TIP3 H143581 3.328 -2.838 1.940 1242TIP3 H243582 3.441 -2.836 1.841 1242TIP3 OH243583 3.376 -2.630 3.018 1242TIP3 H143584 3.391 -2.613 3.112 1242TIP3 H243585 3.286 -2.665 3.016 1242TIP3 OH243586 3.815 -2.693 3.208 1242TIP3 H143587 3.883 -2.760 3.227 1242TIP3 H243588 3.791 -2.718 3.117 1242TIP3 OH243589 4.230 -2.768 1.342 1242TIP3 H143590 4.147 -2.821 1.341 1242TIP3 H243591 4.294 -2.840 1.327 1242TIP3 OH243592 3.315 -3.247 3.150 1242TIP3 H143593 3.349 -3.322 3.100 1242TIP3 H243594 3.256 -3.204 3.085 1242TIP3 OH243595 3.763 -3.192 1.342 1242TIP3 H143596 3.780 -3.252 1.417 1242TIP3 H243597 3.848 -3.196 1.295 1243TIP3 OH243598 4.008 -3.214 3.073 1243TIP3 H143599 3.979 -3.181 2.986 1243TIP3 H243600 4.015 -3.310 3.058 1243TIP3 OH243601 4.260 -3.060 1.298 1243TIP3 H143602 4.278 -3.050 1.393 1243TIP3 H243603 4.244 -3.155 1.291 1243TIP3 OH243604 3.411 -3.533 3.063 1243TIP3 H143605 3.492 -3.586 3.055 1243TIP3 H243606 3.422 -3.499 3.153 1243TIP3 OH243607 3.870 -3.386 1.573 1243TIP3 H143608 3.809 -3.437 1.628 1243TIP3 H243609 3.902 -3.455 1.512 1243TIP3 OH243610 3.795 -3.605 2.803 1243TIP3 H143611 3.739 -3.526 2.818 1243TIP3 H243612 3.854 -3.574 2.733 1243TIP3 OH243613 3.978 -3.585 1.404 1243TIP3 H143614 3.969 -3.579 1.308 1243TIP3 H243615 4.074 -3.573 1.415 1243TIP3 OH243616 4.284 -3.359 3.172 1243TIP3 H143617 4.355 -3.390 3.115 1243TIP3 H243618 4.266 -3.439 3.224 1243TIP3 OH243619 3.851 -3.880 2.915 1243TIP3 H143620 3.865 -3.943 2.842 1243TIP3 H243621 3.840 -3.797 2.866 1243TIP3 OH243622 3.890 -4.037 2.652 1243TIP3 H143623 3.943 -3.978 2.593 1243TIP3 H243624 3.799 -4.023 2.619 1243TIP3 OH243625 4.066 -3.493 2.690 1243TIP3 H143626 4.136 -3.492 2.624 1243TIP3 H243627 4.029 -3.404 2.678 1244TIP3 OH243628 3.666 -3.695 3.093 1244TIP3 H143629 3.621 -3.782 3.093 1244TIP3 H243630 3.749 -3.717 3.049 1244TIP3 OH243631 3.932 -4.273 2.778 1244TIP3 H143632 3.950 -4.186 2.737 1244TIP3 H243633 3.839 -4.281 2.753 1244TIP3 OH243634 4.105 -3.855 3.069 1244TIP3 H143635 4.070 -3.886 3.154 1244TIP3 H243636 4.030 -3.876 3.011 1244TIP3 OH243637 3.549 -3.956 3.083 1244TIP3 H143638 3.525 -4.016 3.010 1244TIP3 H243639 3.506 -3.998 3.159 1244TIP3 OH243640 4.051 -4.153 3.183 1244TIP3 H143641 4.027 -4.234 3.134 1244TIP3 H243642 3.969 -4.102 3.183 1244TIP3 OH243643 3.955 -2.459 1.514 1244TIP3 H143644 4.051 -2.458 1.520 1244TIP3 H243645 3.941 -2.417 1.429 1244TIP3 OH243646 3.334 -3.020 1.464 1244TIP3 H143647 3.430 -3.002 1.478 1244TIP3 H243648 3.336 -3.099 1.407 1244TIP3 OH243649 3.233 -2.500 1.938 1244TIP3 H143650 3.162 -2.538 1.884 1244TIP3 H243651 3.243 -2.569 2.007 1244TIP3 OH243652 3.273 -2.698 2.136 1244TIP3 H143653 3.243 -2.785 2.168 1244TIP3 H243654 3.305 -2.662 2.220 1244TIP3 OH243655 3.280 -3.368 2.377 1244TIP3 H143656 3.304 -3.359 2.284 1244TIP3 H243657 3.368 -3.386 2.417 1245TIP3 OH243658 3.258 -3.825 3.041 1245TIP3 H143659 3.348 -3.841 3.010 1245TIP3 H243660 3.216 -3.911 3.024 1245TIP3 OH243661 3.341 -3.991 2.299 1245TIP3 H143662 3.374 -4.083 2.309 1245TIP3 H243663 3.417 -3.940 2.333 1245TIP3 OH243664 3.203 -3.729 2.402 1245TIP3 H143665 3.260 -3.735 2.323 1245TIP3 H243666 3.241 -3.652 2.446 1245TIP3 OH243667 3.256 -4.102 1.806 1245TIP3 H143668 3.161 -4.094 1.786 1245TIP3 H243669 3.296 -4.034 1.748 1245TIP3 OH243670 3.230 -4.124 2.661 1245TIP3 H143671 3.234 -4.218 2.686 1245TIP3 H243672 3.214 -4.131 2.566 1245TIP3 OH243673 3.443 -2.928 3.094 1245TIP3 H143674 3.388 -2.888 3.024 1245TIP3 H243675 3.413 -2.881 3.172 1245TIP3 OH243676 3.742 -2.799 2.657 1245TIP3 H143677 3.707 -2.714 2.624 1245TIP3 H243678 3.837 -2.786 2.639 1245TIP3 OH243679 4.220 -2.634 2.947 1245TIP3 H143680 4.204 -2.671 3.035 1245TIP3 H243681 4.314 -2.613 2.953 1245TIP3 OH243682 3.472 -2.498 2.684 1245TIP3 H143683 3.402 -2.440 2.649 1245TIP3 H243684 3.448 -2.499 2.777 1245TIP3 OH243685 3.727 -2.521 2.549 1245TIP3 H143686 3.641 -2.507 2.593 1245TIP3 H243687 3.726 -2.454 2.480 1246TIP3 OH243688 4.196 -2.548 2.503 1246TIP3 H143689 4.178 -2.499 2.421 1246TIP3 H243690 4.258 -2.490 2.549 1246TIP3 OH243691 3.437 -2.621 2.383 1246TIP3 H143692 3.432 -2.668 2.470 1246TIP3 H243693 3.511 -2.668 2.342 1246TIP3 OH243694 3.638 -2.748 2.227 1246TIP3 H143695 3.621 -2.841 2.255 1246TIP3 H243696 3.728 -2.734 2.261 1246TIP3 OH243697 3.912 -2.699 2.318 1246TIP3 H143698 3.934 -2.791 2.295 1246TIP3 H243699 3.921 -2.702 2.414 1246TIP3 OH243700 4.255 -4.141 2.255 1246TIP3 H143701 4.179 -4.199 2.270 1246TIP3 H243702 4.291 -4.176 2.173 1246TIP3 OH243703 3.478 -4.283 1.980 1246TIP3 H143704 3.387 -4.306 1.957 1246TIP3 H243705 3.512 -4.366 2.016 1246TIP3 OH243706 3.338 -4.291 1.603 1246TIP3 H143707 3.382 -4.243 1.531 1246TIP3 H243708 3.299 -4.217 1.653 1246TIP3 OH243709 3.937 -4.252 1.981 1246TIP3 H143710 4.030 -4.224 1.991 1246TIP3 H243711 3.919 -4.288 2.069 1246TIP3 OH243712 3.381 -2.696 1.707 1246TIP3 H143713 3.316 -2.709 1.637 1246TIP3 H243714 3.377 -2.600 1.716 1246TIP3 OH243715 3.528 -4.128 1.447 1246TIP3 H143716 3.598 -4.161 1.388 1246TIP3 H243717 3.581 -4.074 1.509 1247TIP3 OH243718 4.050 -4.071 1.670 1247TIP3 H143719 4.065 -4.153 1.720 1247TIP3 H243720 4.062 -4.002 1.739 1247TIP3 OH243721 4.262 -2.530 1.515 1247TIP3 H143722 4.351 -2.495 1.499 1247TIP3 H243723 4.250 -2.592 1.441 1247TIP3 OH243724 3.439 -4.180 2.925 1247TIP3 H143725 3.397 -4.261 2.957 1247TIP3 H243726 3.529 -4.214 2.911 1247TIP3 OH243727 3.731 -4.278 3.191 1247TIP3 H143728 3.818 -4.305 3.154 1247TIP3 H243729 3.706 -4.358 3.239 1247TIP3 OH243730 3.526 -2.597 1.388 1247TIP3 H143731 3.499 -2.577 1.478 1247TIP3 H243732 3.599 -2.660 1.402 1247TIP3 OH243733 -3.159 -1.480 2.030 1247TIP3 H143734 -3.164 -1.383 2.035 1247TIP3 H243735 -3.235 -1.500 1.973 1247TIP3 OH243736 -3.273 -1.537 2.338 1247TIP3 H143737 -3.276 -1.595 2.415 1247TIP3 H243738 -3.300 -1.598 2.267 1247TIP3 OH243739 -4.027 -1.577 2.501 1247TIP3 H143740 -4.031 -1.650 2.565 1247TIP3 H243741 -3.957 -1.522 2.540 1247TIP3 OH243742 -2.904 -1.253 2.171 1247TIP3 H143743 -2.940 -1.331 2.215 1247TIP3 H243744 -2.879 -1.198 2.246 1247TIP3 OH243745 -3.952 -1.115 2.359 1247TIP3 H143746 -3.977 -1.208 2.343 1247TIP3 H243747 -3.862 -1.124 2.393 1248TIP3 OH243748 -4.215 -1.740 1.767 1248TIP3 H143749 -4.239 -1.664 1.821 1248TIP3 H243750 -4.296 -1.793 1.773 1248TIP3 OH243751 -4.206 -1.547 2.052 1248TIP3 H143752 -4.185 -1.600 2.130 1248TIP3 H243753 -4.126 -1.495 2.040 1248TIP3 OH243754 -3.171 -0.747 2.211 1248TIP3 H143755 -3.126 -0.832 2.214 1248TIP3 H243756 -3.218 -0.747 2.296 1248TIP3 OH243757 -3.433 -1.293 2.397 1248TIP3 H143758 -3.398 -1.364 2.341 1248TIP3 H243759 -3.355 -1.276 2.453 1248TIP3 OH243760 -2.561 -2.133 2.457 1248TIP3 H143761 -2.533 -2.073 2.528 1248TIP3 H243762 -2.499 -2.108 2.386 1248TIP3 OH243763 -3.098 -1.851 2.445 1248TIP3 H143764 -3.083 -1.947 2.451 1248TIP3 H243765 -3.105 -1.839 2.349 1248TIP3 OH243766 -3.800 -2.052 2.152 1248TIP3 H143767 -3.784 -1.967 2.106 1248TIP3 H243768 -3.834 -2.105 2.078 1248TIP3 OH243769 -3.014 -2.033 1.985 1248TIP3 H143770 -2.955 -2.076 2.051 1248TIP3 H243771 -2.948 -1.991 1.928 1248TIP3 OH243772 -4.140 -1.782 2.207 1248TIP3 H143773 -4.077 -1.819 2.271 1248TIP3 H243774 -4.117 -1.833 2.127 1248TIP3 OH243775 -3.594 -1.640 2.152 1248TIP3 H143776 -3.523 -1.694 2.191 1248TIP3 H243777 -3.644 -1.706 2.102 1249TIP3 OH243778 -2.487 -1.997 2.706 1249TIP3 H143779 -2.546 -1.925 2.677 1249TIP3 H243780 -2.507 -2.000 2.800 1249TIP3 OH243781 -3.918 -2.169 2.569 1249TIP3 H143782 -3.964 -2.126 2.496 1249TIP3 H243783 -3.981 -2.153 2.642 1249TIP3 OH243784 -3.177 -1.201 1.910 1249TIP3 H143785 -3.198 -1.225 1.819 1249TIP3 H243786 -3.220 -1.115 1.921 1249TIP3 OH243787 -3.662 -1.353 2.588 1249TIP3 H143788 -3.726 -1.289 2.623 1249TIP3 H243789 -3.594 -1.294 2.554 1249TIP3 OH243790 -2.832 -2.110 2.187 1249TIP3 H143791 -2.869 -2.171 2.252 1249TIP3 H243792 -2.778 -2.052 2.243 1249TIP3 OH243793 -3.958 -1.963 2.360 1249TIP3 H143794 -3.893 -1.908 2.408 1249TIP3 H243795 -3.900 -2.001 2.290 1249TIP3 OH243796 -4.184 -1.237 1.746 1249TIP3 H143797 -4.263 -1.215 1.692 1249TIP3 H243798 -4.189 -1.171 1.818 1249TIP3 OH243799 -2.848 -1.013 2.346 1249TIP3 H143800 -2.933 -1.037 2.391 1249TIP3 H243801 -2.805 -0.962 2.416 1249TIP3 OH243802 -2.818 -2.194 2.572 1249TIP3 H143803 -2.895 -2.157 2.525 1249TIP3 H243804 -2.746 -2.176 2.510 1249TIP3 OH243805 -3.505 -2.424 2.277 1249TIP3 H143806 -3.528 -2.518 2.271 1249TIP3 H243807 -3.588 -2.386 2.314 1250TIP3 OH243808 -2.882 -1.062 1.967 1250TIP3 H143809 -2.907 -1.097 1.879 1250TIP3 H243810 -2.897 -1.143 2.020 1250TIP3 OH243811 -2.725 -1.215 2.786 1250TIP3 H143812 -2.731 -1.284 2.716 1250TIP3 H243813 -2.698 -1.136 2.737 1250TIP3 OH243814 -3.295 -1.527 1.756 1250TIP3 H143815 -3.361 -1.470 1.714 1250TIP3 H243816 -3.223 -1.525 1.690 1250TIP3 OH243817 -3.267 -1.712 1.465 1250TIP3 H143818 -3.195 -1.678 1.521 1250TIP3 H243819 -3.217 -1.767 1.404 1250TIP3 OH243820 -2.546 -1.603 2.581 1250TIP3 H143821 -2.617 -1.536 2.590 1250TIP3 H243822 -2.498 -1.569 2.503 1250TIP3 OH243823 -2.944 -1.528 1.862 1250TIP3 H143824 -3.013 -1.509 1.929 1250TIP3 H243825 -2.884 -1.586 1.912 1250TIP3 OH243826 -2.961 -1.674 2.746 1250TIP3 H143827 -2.956 -1.593 2.798 1250TIP3 H243828 -3.028 -1.647 2.682 1250TIP3 OH243829 -3.780 -1.450 2.039 1250TIP3 H143830 -3.815 -1.495 1.959 1250TIP3 H243831 -3.718 -1.516 2.075 1250TIP3 OH243832 -3.645 -1.110 2.308 1250TIP3 H143833 -3.655 -1.157 2.224 1250TIP3 H243834 -3.571 -1.159 2.350 1250TIP3 OH243835 -3.724 -1.561 2.397 1250TIP3 H143836 -3.664 -1.557 2.320 1250TIP3 H243837 -3.689 -1.490 2.455 1251TIP3 OH243838 -3.110 -1.023 2.448 1251TIP3 H143839 -3.133 -0.954 2.514 1251TIP3 H243840 -3.150 -1.102 2.488 1251TIP3 OH243841 -3.049 -1.577 1.603 1251TIP3 H143842 -2.999 -1.556 1.685 1251TIP3 H243843 -2.994 -1.533 1.534 1251TIP3 OH243844 -3.956 -1.516 2.794 1251TIP3 H143845 -3.943 -1.445 2.860 1251TIP3 H243846 -4.051 -1.506 2.778 1251TIP3 OH243847 -3.274 -0.909 1.964 1251TIP3 H143848 -3.273 -0.881 2.056 1251TIP3 H243849 -3.348 -0.856 1.929 1251TIP3 OH243850 -2.705 -2.411 1.559 1251TIP3 H143851 -2.791 -2.399 1.602 1251TIP3 H243852 -2.668 -2.321 1.561 1251TIP3 OH243853 -3.894 -1.578 1.796 1251TIP3 H143854 -3.914 -1.502 1.739 1251TIP3 H243855 -3.961 -1.643 1.767 1251TIP3 OH243856 -4.273 -1.291 2.651 1251TIP3 H143857 -4.291 -1.325 2.562 1251TIP3 H243858 -4.296 -1.367 2.707 1251TIP3 OH243859 -4.281 -1.015 2.344 1251TIP3 H143860 -4.198 -1.059 2.367 1251TIP3 H243861 -4.300 -0.968 2.426 1251TIP3 OH243862 -2.444 -0.956 2.936 1251TIP3 H143863 -2.453 -1.052 2.922 1251TIP3 H243864 -2.534 -0.933 2.967 1251TIP3 OH243865 -3.391 -1.047 2.821 1251TIP3 H143866 -3.383 -0.953 2.845 1251TIP3 H243867 -3.488 -1.044 2.801 1252TIP3 OH243868 -3.364 -0.641 1.819 1252TIP3 H143869 -3.347 -0.650 1.725 1252TIP3 H243870 -3.334 -0.552 1.841 1252TIP3 OH243871 -3.976 -0.740 1.980 1252TIP3 H143872 -3.951 -0.783 2.064 1252TIP3 H243873 -4.055 -0.792 1.958 1252TIP3 OH243874 -3.007 -0.741 1.506 1252TIP3 H143875 -2.969 -0.818 1.461 1252TIP3 H243876 -3.002 -0.770 1.599 1252TIP3 OH243877 -3.071 -0.758 1.812 1252TIP3 H143878 -3.167 -0.759 1.826 1252TIP3 H243879 -3.049 -0.841 1.854 1252TIP3 OH243880 -2.765 -1.820 2.978 1252TIP3 H143881 -2.815 -1.782 2.905 1252TIP3 H243882 -2.759 -1.914 2.950 1252TIP3 OH243883 -4.034 -1.172 2.748 1252TIP3 H143884 -4.005 -1.191 2.839 1252TIP3 H243885 -4.122 -1.211 2.740 1252TIP3 OH243886 -3.748 -2.309 2.368 1252TIP3 H143887 -3.830 -2.317 2.317 1252TIP3 H243888 -3.772 -2.235 2.427 1252TIP3 OH243889 -3.311 -2.349 2.736 1252TIP3 H143890 -3.258 -2.405 2.796 1252TIP3 H243891 -3.401 -2.385 2.744 1252TIP3 OH243892 -2.994 -1.971 2.784 1252TIP3 H143893 -3.055 -1.987 2.858 1252TIP3 H243894 -3.002 -1.875 2.769 1252TIP3 OH243895 -2.880 -1.479 1.398 1252TIP3 H143896 -2.897 -1.498 1.304 1252TIP3 H243897 -2.788 -1.451 1.396 1253TIP3 OH243898 -3.333 -2.097 1.459 1253TIP3 H143899 -3.379 -2.115 1.542 1253TIP3 H243900 -3.370 -2.167 1.402 1253TIP3 OH243901 -3.763 -1.827 2.508 1253TIP3 H143902 -3.821 -1.817 2.585 1253TIP3 H243903 -3.754 -1.735 2.476 1253TIP3 OH243904 -3.769 -1.824 1.997 1253TIP3 H143905 -3.864 -1.828 1.977 1253TIP3 H243906 -3.732 -1.840 1.908 1253TIP3 OH243907 -3.207 -1.765 1.876 1253TIP3 H143908 -3.248 -1.683 1.839 1253TIP3 H243909 -3.138 -1.782 1.810 1253TIP3 OH243910 -3.288 -1.746 3.011 1253TIP3 H143911 -3.338 -1.823 3.047 1253TIP3 H243912 -3.200 -1.759 3.050 1253TIP3 OH243913 -3.122 -1.826 2.152 1253TIP3 H143914 -3.151 -1.770 2.078 1253TIP3 H243915 -3.098 -1.907 2.103 1253TIP3 OH243916 -4.023 -1.816 2.690 1253TIP3 H143917 -4.002 -1.771 2.773 1253TIP3 H243918 -4.050 -1.903 2.721 1253TIP3 OH243919 -3.688 -2.047 1.355 1253TIP3 H143920 -3.726 -2.092 1.433 1253TIP3 H243921 -3.764 -2.041 1.296 1253TIP3 OH243922 -4.322 -2.054 2.052 1253TIP3 H143923 -4.311 -2.073 2.146 1253TIP3 H243924 -4.274 -2.126 2.011 1253TIP3 OH243925 -4.210 -2.013 1.639 1253TIP3 H143926 -4.147 -1.984 1.570 1253TIP3 H243927 -4.289 -1.968 1.611 1254TIP3 OH243928 -3.213 -1.657 2.601 1254TIP3 H143929 -3.170 -1.729 2.550 1254TIP3 H243930 -3.253 -1.707 2.674 1254TIP3 OH243931 -3.490 -2.062 2.101 1254TIP3 H143932 -3.585 -2.069 2.124 1254TIP3 H243933 -3.448 -2.083 2.186 1254TIP3 OH243934 -4.042 -1.937 1.962 1254TIP3 H143935 -4.115 -1.924 1.900 1254TIP3 H243936 -4.001 -2.019 1.930 1254TIP3 OH243937 -3.672 -1.905 1.737 1254TIP3 H143938 -3.575 -1.901 1.742 1254TIP3 H243939 -3.694 -1.846 1.663 1254TIP3 OH243940 -3.052 -2.149 2.403 1254TIP3 H143941 -3.117 -2.148 2.476 1254TIP3 H243942 -3.107 -2.183 2.331 1254TIP3 OH243943 -3.826 -1.778 1.513 1254TIP3 H143944 -3.883 -1.814 1.443 1254TIP3 H243945 -3.744 -1.761 1.463 1254TIP3 OH243946 -2.751 -0.572 3.068 1254TIP3 H143947 -2.728 -0.526 2.985 1254TIP3 H243948 -2.681 -0.540 3.127 1254TIP3 OH243949 -3.953 -1.322 3.014 1254TIP3 H143950 -3.892 -1.303 3.088 1254TIP3 H243951 -4.038 -1.298 3.056 1254TIP3 OH243952 -3.389 -1.808 2.283 1254TIP3 H143953 -3.316 -1.851 2.236 1254TIP3 H243954 -3.405 -1.871 2.357 1254TIP3 OH243955 -3.874 -2.171 1.908 1254TIP3 H143956 -3.915 -2.258 1.911 1254TIP3 H243957 -3.792 -2.191 1.859 1255TIP3 OH243958 -3.493 -1.964 2.506 1255TIP3 H143959 -3.569 -1.904 2.507 1255TIP3 H243960 -3.443 -1.936 2.586 1255TIP3 OH243961 -3.481 -1.319 1.696 1255TIP3 H143962 -3.555 -1.373 1.661 1255TIP3 H243963 -3.497 -1.320 1.793 1255TIP3 OH243964 -2.756 -1.403 2.571 1255TIP3 H143965 -2.705 -1.357 2.501 1255TIP3 H243966 -2.840 -1.423 2.526 1255TIP3 OH243967 -3.063 -2.046 1.481 1255TIP3 H143968 -3.161 -2.042 1.470 1255TIP3 H243969 -3.043 -1.966 1.533 1255TIP3 OH243970 -3.310 -1.316 2.826 1255TIP3 H143971 -3.343 -1.349 2.911 1255TIP3 H243972 -3.345 -1.225 2.826 1255TIP3 OH243973 -2.994 -1.853 1.683 1255TIP3 H143974 -2.905 -1.874 1.718 1255TIP3 H243975 -2.978 -1.772 1.632 1255TIP3 OH243976 -3.983 -1.400 2.263 1255TIP3 H143977 -3.910 -1.400 2.199 1255TIP3 H243978 -3.960 -1.475 2.320 1255TIP3 OH243979 -3.236 -1.188 1.592 1255TIP3 H143980 -3.263 -1.103 1.629 1255TIP3 H243981 -3.311 -1.245 1.615 1255TIP3 OH243982 -4.244 -1.540 2.830 1255TIP3 H143983 -4.232 -1.603 2.904 1255TIP3 H243984 -4.290 -1.595 2.763 1255TIP3 OH243985 -3.540 -1.604 3.005 1255TIP3 H143986 -3.581 -1.631 2.921 1255TIP3 H243987 -3.448 -1.631 2.992 1256TIP3 OH243988 -3.092 -1.056 2.775 1256TIP3 H143989 -3.190 -1.057 2.770 1256TIP3 H243990 -3.078 -1.038 2.869 1256TIP3 OH243991 -2.539 -1.851 1.653 1256TIP3 H143992 -2.588 -1.877 1.573 1256TIP3 H243993 -2.524 -1.757 1.630 1256TIP3 OH243994 -2.490 -1.254 2.934 1256TIP3 H143995 -2.584 -1.233 2.915 1256TIP3 H243996 -2.457 -1.273 2.844 1256TIP3 OH243997 -2.695 -1.002 1.666 1256TIP3 H143998 -2.723 -1.088 1.699 1256TIP3 H243999 -2.661 -1.024 1.579 1256TIP3 OH244000 -2.987 -1.463 2.399 1256TIP3 H144001 -3.080 -1.478 2.377 1256TIP3 H244002 -2.945 -1.538 2.351 1256TIP3 OH244003 -3.726 -1.059 1.993 1256TIP3 H144004 -3.688 -0.970 1.997 1256TIP3 H244005 -3.820 -1.039 1.985 1256TIP3 OH244006 -4.156 -1.559 1.475 1256TIP3 H144007 -4.081 -1.508 1.512 1256TIP3 H244008 -4.228 -1.498 1.492 1256TIP3 OH244009 -3.542 -1.285 1.971 1256TIP3 H144010 -3.580 -1.196 1.980 1256TIP3 H244011 -3.613 -1.339 2.009 1256TIP3 OH244012 -3.680 -0.765 1.923 1256TIP3 H144013 -3.776 -0.756 1.936 1256TIP3 H244014 -3.648 -0.677 1.951 1256TIP3 OH244015 -3.184 -1.285 2.558 1256TIP3 H144016 -3.217 -1.308 2.647 1256TIP3 H244017 -3.114 -1.350 2.545 1257TIP3 OH244018 -2.976 -1.130 1.454 1257TIP3 H144019 -2.923 -1.179 1.518 1257TIP3 H244020 -3.064 -1.162 1.477 1257TIP3 OH244021 -2.889 -0.833 2.795 1257TIP3 H144022 -2.970 -0.876 2.760 1257TIP3 H244023 -2.882 -0.753 2.740 1257TIP3 OH244024 -4.100 -2.084 2.771 1257TIP3 H144025 -4.185 -2.049 2.741 1257TIP3 H244026 -4.122 -2.171 2.810 1257TIP3 OH244027 -2.866 -1.272 1.704 1257TIP3 H144028 -2.904 -1.349 1.749 1257TIP3 H244029 -2.772 -1.296 1.703 1257TIP3 OH244030 -4.127 -0.922 2.625 1257TIP3 H144031 -4.090 -1.012 2.628 1257TIP3 H244032 -4.075 -0.883 2.696 1257TIP3 OH244033 -3.545 -1.049 1.311 1257TIP3 H144034 -3.516 -1.123 1.255 1257TIP3 H244035 -3.588 -1.096 1.384 1257TIP3 OH244036 -3.664 -1.100 1.582 1257TIP3 H144037 -3.613 -1.155 1.643 1257TIP3 H244038 -3.648 -1.010 1.615 1257TIP3 OH244039 -3.988 -1.359 1.613 1257TIP3 H144040 -4.056 -1.317 1.671 1257TIP3 H244041 -3.936 -1.280 1.590 1257TIP3 OH244042 -3.211 -2.107 2.622 1257TIP3 H144043 -3.148 -2.081 2.691 1257TIP3 H244044 -3.260 -2.181 2.664 1257TIP3 OH244045 -3.150 -2.162 1.747 1257TIP3 H144046 -3.127 -2.114 1.666 1257TIP3 H244047 -3.100 -2.113 1.814 1258TIP3 OH244048 -3.359 -0.918 1.648 1258TIP3 H144049 -3.452 -0.889 1.652 1258TIP3 H244050 -3.336 -0.899 1.556 1258TIP3 OH244051 -3.407 -1.965 1.842 1258TIP3 H144052 -3.330 -1.906 1.854 1258TIP3 H244053 -3.433 -1.981 1.934 1258TIP3 OH244054 -3.367 -1.866 2.757 1258TIP3 H144055 -3.359 -1.818 2.842 1258TIP3 H244056 -3.317 -1.947 2.776 1258TIP3 OH244057 -3.346 -2.263 1.936 1258TIP3 H144058 -3.365 -2.193 2.001 1258TIP3 H244059 -3.273 -2.222 1.885 1258TIP3 OH244060 -3.639 -0.829 1.643 1258TIP3 H144061 -3.657 -0.751 1.589 1258TIP3 H244062 -3.657 -0.796 1.734 1258TIP3 OH244063 -3.775 -2.163 1.595 1258TIP3 H144064 -3.764 -2.082 1.648 1258TIP3 H244065 -3.693 -2.211 1.619 1258TIP3 OH244066 -2.741 -2.072 2.847 1258TIP3 H144067 -2.837 -2.059 2.830 1258TIP3 H244068 -2.714 -2.096 2.757 1258TIP3 OH244069 -2.890 -1.687 2.251 1258TIP3 H144070 -2.971 -1.733 2.221 1258TIP3 H244071 -2.841 -1.760 2.295 1258TIP3 OH244072 -3.933 -1.073 1.495 1258TIP3 H144073 -3.856 -1.031 1.538 1258TIP3 H244074 -3.887 -1.128 1.430 1258TIP3 OH244075 -4.115 -1.860 1.417 1258TIP3 H144076 -4.107 -1.765 1.433 1258TIP3 H244077 -4.193 -1.868 1.361 1259TIP3 OH244078 -4.026 -2.361 2.283 1259TIP3 H144079 -4.058 -2.364 2.191 1259TIP3 H244080 -4.068 -2.442 2.321 1259TIP3 OH244081 -4.137 -0.998 1.910 1259TIP3 H144082 -4.226 -0.960 1.918 1259TIP3 H244083 -4.104 -0.955 1.830 1259TIP3 OH244084 -4.215 -0.720 3.034 1259TIP3 H144085 -4.150 -0.720 3.108 1259TIP3 H244086 -4.214 -0.815 3.016 1259TIP3 OH244087 -3.737 -0.814 3.185 1259TIP3 H144088 -3.667 -0.874 3.213 1259TIP3 H244089 -3.749 -0.842 3.093 1259TIP3 OH244090 -3.322 -0.884 1.370 1259TIP3 H144091 -3.395 -0.945 1.345 1259TIP3 H244092 -3.247 -0.928 1.326 1259TIP3 OH244093 -3.077 -0.981 3.062 1259TIP3 H144094 -3.121 -1.059 3.100 1259TIP3 H244095 -3.011 -0.959 3.131 1259TIP3 OH244096 -4.202 -1.311 3.099 1259TIP3 H144097 -4.188 -1.399 3.061 1259TIP3 H244098 -4.289 -1.287 3.065 1259TIP3 OH244099 -3.781 -1.307 1.342 1259TIP3 H144100 -3.760 -1.367 1.416 1259TIP3 H244101 -3.697 -1.309 1.293 1259TIP3 OH244102 -3.546 -1.322 3.057 1259TIP3 H144103 -3.583 -1.299 2.971 1259TIP3 H244104 -3.535 -1.419 3.050 1259TIP3 OH244105 -3.260 -1.174 1.304 1259TIP3 H144106 -3.258 -1.182 1.401 1259TIP3 H244107 -3.261 -1.269 1.279 1260TIP3 OH244108 -3.001 -1.369 2.812 1260TIP3 H144109 -2.925 -1.311 2.798 1260TIP3 H244110 -3.075 -1.306 2.813 1260TIP3 OH244111 -4.140 -1.649 3.073 1260TIP3 H144112 -4.056 -1.698 3.061 1260TIP3 H244113 -4.126 -1.611 3.161 1260TIP3 OH244114 -3.673 -1.498 1.576 1260TIP3 H144115 -3.731 -1.552 1.631 1260TIP3 H244116 -3.641 -1.564 1.511 1260TIP3 OH244117 -3.746 -1.721 2.805 1260TIP3 H144118 -3.807 -1.646 2.818 1260TIP3 H244119 -3.684 -1.684 2.739 1260TIP3 OH244120 -3.576 -1.696 1.402 1260TIP3 H144121 -3.578 -1.689 1.304 1260TIP3 H244122 -3.480 -1.702 1.418 1260TIP3 OH244123 -3.222 -1.453 3.156 1260TIP3 H144124 -3.132 -1.469 3.126 1260TIP3 H244125 -3.245 -1.538 3.195 1260TIP3 OH244126 -3.691 -1.992 2.915 1260TIP3 H144127 -3.684 -2.058 2.843 1260TIP3 H244128 -3.711 -1.911 2.865 1260TIP3 OH244129 -3.657 -2.146 2.661 1260TIP3 H144130 -3.605 -2.094 2.596 1260TIP3 H244131 -3.748 -2.143 2.624 1260TIP3 OH244132 -3.512 -1.589 2.684 1260TIP3 H144133 -3.424 -1.594 2.643 1260TIP3 H244134 -3.540 -1.498 2.663 1260TIP3 OH244135 -3.045 -1.809 3.181 1260TIP3 H144136 -3.020 -1.903 3.188 1260TIP3 H244137 -2.957 -1.768 3.172 1261TIP3 OH244138 -2.948 -1.530 3.027 1261TIP3 H144139 -2.982 -1.469 2.959 1261TIP3 H244140 -2.858 -1.546 2.991 1261TIP3 OH244141 -3.876 -1.806 3.096 1261TIP3 H144142 -3.930 -1.887 3.093 1261TIP3 H244143 -3.797 -1.831 3.046 1261TIP3 OH244144 -3.586 -2.414 2.697 1261TIP3 H144145 -3.603 -2.319 2.678 1261TIP3 H244146 -3.655 -2.456 2.641 1261TIP3 OH244147 -3.459 -1.965 3.073 1261TIP3 H144148 -3.500 -1.978 3.161 1261TIP3 H244149 -3.539 -1.980 3.017 1261TIP3 OH244150 -3.204 -2.051 2.960 1261TIP3 H144151 -3.292 -2.046 3.002 1261TIP3 H244152 -3.157 -2.113 3.019 1261TIP3 OH244153 -3.026 -2.200 3.132 1261TIP3 H144154 -3.031 -2.296 3.146 1261TIP3 H244155 -3.037 -2.163 3.221 1261TIP3 OH244156 -4.014 -2.059 3.077 1261TIP3 H144157 -4.017 -2.131 3.013 1261TIP3 H244158 -4.033 -2.105 3.161 1261TIP3 OH244159 -3.593 -2.467 2.980 1261TIP3 H144160 -3.533 -2.543 2.976 1261TIP3 H244161 -3.603 -2.447 2.885 1261TIP3 OH244162 -3.514 -2.315 3.208 1261TIP3 H144163 -3.533 -2.355 3.121 1261TIP3 H244164 -3.570 -2.235 3.204 1261TIP3 OH244165 -3.596 -0.557 1.518 1261TIP3 H144166 -3.503 -0.577 1.507 1261TIP3 H244167 -3.621 -0.532 1.428 1262TIP3 OH244168 -4.201 -1.087 1.420 1262TIP3 H144169 -4.121 -1.089 1.476 1262TIP3 H244170 -4.213 -1.179 1.396 1262TIP3 OH244171 -4.274 -0.807 2.132 1262TIP3 H144172 -4.276 -0.896 2.173 1262TIP3 H244173 -4.241 -0.756 2.208 1262TIP3 OH244174 -2.535 -0.694 2.428 1262TIP3 H144175 -2.518 -0.700 2.523 1262TIP3 H244176 -2.448 -0.670 2.394 1262TIP3 OH244177 -2.525 -0.740 2.726 1262TIP3 H144178 -2.577 -0.813 2.688 1262TIP3 H244179 -2.470 -0.789 2.789 1262TIP3 OH244180 -2.726 -1.199 3.153 1262TIP3 H144181 -2.814 -1.192 3.193 1262TIP3 H244182 -2.681 -1.119 3.186 1262TIP3 OH244183 -2.592 -1.317 1.726 1262TIP3 H144184 -2.503 -1.278 1.737 1262TIP3 H244185 -2.591 -1.383 1.798 1262TIP3 OH244186 -2.543 -1.509 1.928 1262TIP3 H144187 -2.606 -1.572 1.969 1262TIP3 H244188 -2.471 -1.504 1.994 1262TIP3 OH244189 -2.577 -1.255 2.416 1262TIP3 H144190 -2.515 -1.312 2.368 1262TIP3 H244191 -2.542 -1.166 2.394 1262TIP3 OH244192 -2.698 -0.961 2.637 1262TIP3 H144193 -2.766 -0.926 2.698 1262TIP3 H244194 -2.746 -1.027 2.586 1262TIP3 OH244195 -2.528 -1.553 1.556 1262TIP3 H144196 -2.564 -1.519 1.474 1262TIP3 H244197 -2.539 -1.478 1.616 1263TIP3 OH244198 -2.690 -1.807 1.399 1263TIP3 H144199 -2.658 -1.755 1.324 1263TIP3 H244200 -2.708 -1.894 1.357 1263TIP3 OH244201 -2.749 -1.699 2.006 1263TIP3 H144202 -2.752 -1.795 1.989 1263TIP3 H244203 -2.786 -1.693 2.096 1263TIP3 OH244204 -4.257 -1.451 2.405 1263TIP3 H144205 -4.219 -1.425 2.319 1263TIP3 H244206 -4.178 -1.489 2.448 1263TIP3 OH244207 -2.686 -1.506 2.920 1263TIP3 H144208 -2.614 -1.570 2.937 1263TIP3 H244209 -2.636 -1.424 2.905 1263TIP3 OH244210 -2.532 -1.697 3.043 1263TIP3 H144211 -2.610 -1.752 3.020 1263TIP3 H244212 -2.460 -1.763 3.040 1263TIP3 OH244213 -2.742 -2.077 1.336 1263TIP3 H144214 -2.680 -2.130 1.388 1263TIP3 H244215 -2.818 -2.135 1.322 1263TIP3 OH244216 -2.758 -1.950 1.825 1263TIP3 H144217 -2.733 -2.045 1.828 1263TIP3 H244218 -2.679 -1.912 1.781 1263TIP3 OH244219 -2.737 -1.887 2.368 1263TIP3 H144220 -2.639 -1.879 2.364 1263TIP3 H244221 -2.750 -1.888 2.464 1263TIP3 OH244222 -2.720 -1.820 2.651 1263TIP3 H144223 -2.806 -1.781 2.676 1263TIP3 H244224 -2.667 -1.741 2.629 1263TIP3 OH244225 -4.286 -1.959 3.007 1263TIP3 H144226 -4.196 -1.995 3.014 1263TIP3 H244227 -4.343 -2.032 3.035 1264TIP3 OH244228 -2.468 -2.403 3.177 1264TIP3 H144229 -2.422 -2.473 3.126 1264TIP3 H244230 -2.460 -2.326 3.118 1264TIP3 OH244231 -2.713 -2.228 1.823 1264TIP3 H144232 -2.701 -2.262 1.913 1264TIP3 H244233 -2.792 -2.279 1.794 1264TIP3 OH244234 -4.195 -2.096 2.328 1264TIP3 H144235 -4.164 -2.188 2.326 1264TIP3 H244236 -4.112 -2.047 2.343 1264TIP3 OH244237 -4.352 -1.835 2.396 1264TIP3 H144238 -4.298 -1.896 2.342 1264TIP3 H244239 -4.306 -1.751 2.382 1264TIP3 OH244240 -2.526 -2.197 3.002 1264TIP3 H144241 -2.615 -2.157 3.007 1264TIP3 H244242 -2.538 -2.254 2.924 1264TIP3 OH244243 -2.515 -2.184 1.493 1264TIP3 H144244 -2.484 -2.260 1.441 1264TIP3 H244245 -2.437 -2.126 1.490 1264TIP3 OH244246 -4.313 -2.229 1.763 1264TIP3 H144247 -4.398 -2.199 1.727 1264TIP3 H244248 -4.254 -2.158 1.729 1264TIP3 OH244249 -4.292 -2.333 2.598 1264TIP3 H144250 -4.359 -2.340 2.670 1264TIP3 H244251 -4.335 -2.280 2.530 1264TIP3 OH244252 -4.104 -0.983 3.059 1264TIP3 H144253 -4.161 -1.034 3.002 1264TIP3 H244254 -4.121 -1.023 3.147 1264TIP3 OH244255 -3.352 -0.769 2.962 1264TIP3 H144256 -3.340 -0.803 3.052 1264TIP3 H244257 -3.264 -0.738 2.937 1265TIP3 OH244258 -3.114 -0.632 2.877 1265TIP3 H144259 -3.052 -0.705 2.864 1265TIP3 H244260 -3.092 -0.603 2.967 1265TIP3 OH244261 -2.641 -2.377 2.803 1265TIP3 H144262 -2.720 -2.358 2.750 1265TIP3 H244263 -2.617 -2.466 2.770 1265TIP3 OH244264 -4.072 -0.601 2.682 1265TIP3 H144265 -4.142 -0.551 2.637 1265TIP3 H244266 -4.106 -0.608 2.772 1265TIP3 OH244267 -3.819 -0.668 2.510 1265TIP3 H144268 -3.883 -0.670 2.583 1265TIP3 H244269 -3.816 -0.575 2.486 1265TIP3 OH244270 -3.323 -0.640 2.486 1265TIP3 H144271 -3.391 -0.608 2.424 1265TIP3 H244272 -3.347 -0.592 2.567 1265TIP3 OH244273 -3.103 -0.768 2.587 1265TIP3 H144274 -3.191 -0.736 2.559 1265TIP3 H244275 -3.055 -0.684 2.593 1265TIP3 OH244276 -2.838 -0.612 2.588 1265TIP3 H144277 -2.853 -0.516 2.581 1265TIP3 H244278 -2.805 -0.632 2.499 1265TIP3 OH244279 -4.125 -0.733 2.380 1265TIP3 H144280 -4.134 -0.773 2.469 1265TIP3 H244281 -4.044 -0.777 2.349 1265TIP3 OH244282 -3.903 -0.866 2.228 1265TIP3 H144283 -3.923 -0.955 2.264 1265TIP3 H244284 -3.825 -0.842 2.281 1265TIP3 OH244285 -3.612 -0.816 2.331 1265TIP3 H144286 -3.613 -0.912 2.315 1265TIP3 H244287 -3.640 -0.814 2.425 1266TIP3 OH244288 -3.298 -2.227 2.249 1266TIP3 H144289 -3.366 -2.295 2.262 1266TIP3 H244290 -3.237 -2.272 2.188 1266TIP3 OH244291 -2.802 -2.422 2.296 1266TIP3 H144292 -2.725 -2.381 2.253 1266TIP3 H244293 -2.875 -2.396 2.238 1266TIP3 OH244294 -2.594 -2.315 2.082 1266TIP3 H144295 -2.523 -2.357 2.030 1266TIP3 H244296 -2.561 -2.223 2.089 1266TIP3 OH244297 -4.108 -2.369 2.002 1266TIP3 H144298 -4.180 -2.399 1.945 1266TIP3 H244299 -4.045 -2.443 1.992 1266TIP3 OH244300 -4.183 -2.408 1.582 1266TIP3 H144301 -4.130 -2.343 1.533 1266TIP3 H244302 -4.232 -2.351 1.644 1266TIP3 OH244303 -3.616 -2.372 1.993 1266TIP3 H144304 -3.525 -2.343 1.976 1266TIP3 H244305 -3.615 -2.383 2.089 1266TIP3 OH244306 -3.056 -2.368 2.132 1266TIP3 H144307 -3.029 -2.384 2.041 1266TIP3 H244308 -3.093 -2.455 2.157 1266TIP3 OH244309 -2.945 -2.368 1.734 1266TIP3 H144310 -3.027 -2.319 1.715 1266TIP3 H244311 -2.979 -2.459 1.743 1266TIP3 OH244312 -4.191 -0.805 1.689 1266TIP3 H144313 -4.248 -0.824 1.613 1266TIP3 H244314 -4.183 -0.709 1.684 1266TIP3 OH244315 -4.005 -2.220 1.436 1266TIP3 H144316 -3.948 -2.279 1.384 1266TIP3 H244317 -3.943 -2.191 1.506 1267TIP3 OH244318 -3.501 -2.204 1.698 1267TIP3 H144319 -3.464 -2.264 1.765 1267TIP3 H244320 -3.476 -2.118 1.736 1267TIP3 OH244321 -3.264 -0.606 1.510 1267TIP3 H144322 -3.172 -0.637 1.502 1267TIP3 H244323 -3.306 -0.679 1.461 1267TIP3 OH244324 -2.673 -0.716 1.804 1267TIP3 H144325 -2.681 -0.799 1.755 1267TIP3 H244326 -2.635 -0.656 1.739 1267TIP3 OH244327 -4.081 -2.329 2.954 1267TIP3 H144328 -4.126 -2.405 2.994 1267TIP3 H244329 -3.989 -2.343 2.984 1267TIP3 OH244330 -3.847 -2.392 3.130 1267TIP3 H144331 -3.764 -2.426 3.091 1267TIP3 H244332 -3.886 -2.471 3.170 1267TIP3 OH244333 -4.012 -0.707 1.385 1267TIP3 H144334 -4.039 -0.689 1.477 1267TIP3 H244335 -3.943 -0.775 1.397 1267TIP3 OH244336 -3.028 -2.478 3.144 1267TIP3 H144337 -3.030 -2.521 3.231 1267TIP3 H244338 -2.933 -2.485 3.121 1267TIP3 OH244339 -2.694 -0.849 3.015 1267TIP3 H144340 -2.770 -0.868 2.957 1267TIP3 H244341 -2.712 -0.755 3.037 1267TIP3 OH244342 -1.390 -1.543 2.322 1267TIP3 H144343 -1.384 -1.581 2.411 1267TIP3 H244344 -1.423 -1.620 2.272 1267TIP3 OH244345 -2.145 -1.577 2.505 1267TIP3 H144346 -2.143 -1.653 2.566 1267TIP3 H244347 -2.071 -1.525 2.539 1268TIP3 OH244348 -1.058 -1.254 2.163 1268TIP3 H144349 -1.046 -1.331 2.220 1268TIP3 H244350 -0.989 -1.195 2.193 1268TIP3 OH244351 -2.079 -1.117 2.357 1268TIP3 H144352 -2.098 -1.210 2.329 1268TIP3 H244353 -1.984 -1.125 2.373 1268TIP3 OH244354 -2.380 -1.775 1.897 1268TIP3 H144355 -2.418 -1.686 1.900 1268TIP3 H244356 -2.446 -1.824 1.846 1268TIP3 OH244357 -2.296 -1.528 2.080 1268TIP3 H144358 -2.280 -1.613 2.125 1268TIP3 H244359 -2.215 -1.518 2.029 1268TIP3 OH244360 -1.334 -0.771 2.220 1268TIP3 H144361 -1.259 -0.830 2.199 1268TIP3 H244362 -1.346 -0.787 2.315 1268TIP3 OH244363 -1.540 -1.288 2.395 1268TIP3 H144364 -1.507 -1.356 2.335 1268TIP3 H244365 -1.458 -1.270 2.445 1268TIP3 OH244366 -0.656 -2.133 2.443 1268TIP3 H144367 -0.636 -2.071 2.515 1268TIP3 H244368 -0.598 -2.097 2.374 1268TIP3 OH244369 -1.219 -1.854 2.443 1268TIP3 H144370 -1.194 -1.948 2.446 1268TIP3 H244371 -1.213 -1.835 2.348 1268TIP3 OH244372 -1.915 -2.051 2.153 1268TIP3 H144373 -1.899 -1.966 2.107 1268TIP3 H244374 -1.949 -2.103 2.078 1268TIP3 OH244375 -1.126 -2.029 1.982 1268TIP3 H144376 -1.069 -2.073 2.049 1268TIP3 H244377 -1.058 -1.987 1.927 1269TIP3 OH244378 -2.245 -1.779 2.203 1269TIP3 H144379 -2.181 -1.827 2.258 1269TIP3 H244380 -2.237 -1.826 2.119 1269TIP3 OH244381 -1.701 -1.639 2.144 1269TIP3 H144382 -1.636 -1.697 2.189 1269TIP3 H244383 -1.755 -1.705 2.096 1269TIP3 OH244384 -0.602 -1.998 2.705 1269TIP3 H144385 -0.659 -1.925 2.674 1269TIP3 H244386 -0.624 -1.999 2.799 1269TIP3 OH244387 -2.034 -2.173 2.568 1269TIP3 H144388 -2.074 -2.123 2.495 1269TIP3 H244389 -2.099 -2.158 2.639 1269TIP3 OH244390 -1.354 -1.242 1.957 1269TIP3 H144391 -1.282 -1.204 2.009 1269TIP3 H244392 -1.385 -1.163 1.909 1269TIP3 OH244393 -1.740 -1.384 2.581 1269TIP3 H144394 -1.814 -1.323 2.605 1269TIP3 H244395 -1.678 -1.324 2.535 1269TIP3 OH244396 -0.950 -2.114 2.187 1269TIP3 H144397 -0.984 -2.167 2.260 1269TIP3 H244398 -0.892 -2.051 2.234 1269TIP3 OH244399 -2.074 -1.967 2.362 1269TIP3 H144400 -2.008 -1.911 2.408 1269TIP3 H244401 -2.017 -2.004 2.291 1269TIP3 OH244402 -1.942 -1.197 2.654 1269TIP3 H144403 -1.945 -1.106 2.620 1269TIP3 H244404 -2.028 -1.202 2.699 1269TIP3 OH244405 -2.326 -1.213 1.735 1269TIP3 H144406 -2.335 -1.165 1.652 1269TIP3 H244407 -2.303 -1.140 1.797 1270TIP3 OH244408 -0.962 -1.072 2.433 1270TIP3 H144409 -1.058 -1.073 2.416 1270TIP3 H244410 -0.933 -1.004 2.371 1270TIP3 OH244411 -0.924 -2.193 2.567 1270TIP3 H144412 -1.003 -2.153 2.525 1270TIP3 H244413 -0.855 -2.173 2.501 1270TIP3 OH244414 -1.620 -2.424 2.276 1270TIP3 H144415 -1.643 -2.518 2.273 1270TIP3 H244416 -1.701 -2.384 2.313 1270TIP3 OH244417 -1.090 -0.890 2.074 1270TIP3 H144418 -1.059 -0.969 2.027 1270TIP3 H244419 -1.096 -0.826 2.002 1270TIP3 OH244420 -0.835 -1.217 2.786 1270TIP3 H144421 -0.846 -1.284 2.715 1270TIP3 H244422 -0.822 -1.136 2.734 1270TIP3 OH244423 -1.362 -1.721 1.477 1270TIP3 H144424 -1.285 -1.680 1.517 1270TIP3 H244425 -1.334 -1.722 1.383 1270TIP3 OH244426 -0.660 -1.602 2.581 1270TIP3 H144427 -0.730 -1.535 2.584 1270TIP3 H244428 -0.610 -1.574 2.501 1270TIP3 OH244429 -1.086 -1.556 1.889 1270TIP3 H144430 -1.106 -1.463 1.897 1270TIP3 H244431 -0.999 -1.550 1.844 1270TIP3 OH244432 -1.077 -1.675 2.748 1270TIP3 H144433 -1.069 -1.592 2.798 1270TIP3 H244434 -1.137 -1.646 2.678 1270TIP3 OH244435 -1.905 -1.452 2.041 1270TIP3 H144436 -1.935 -1.494 1.957 1270TIP3 H244437 -1.837 -1.515 2.071 1271TIP3 OH244438 -1.768 -1.115 2.319 1271TIP3 H144439 -1.773 -1.143 2.226 1271TIP3 H244440 -1.685 -1.158 2.347 1271TIP3 OH244441 -1.839 -1.572 2.390 1271TIP3 H144442 -1.783 -1.566 2.310 1271TIP3 H244443 -1.800 -1.504 2.448 1271TIP3 OH244444 -1.255 -1.018 2.451 1271TIP3 H144445 -1.240 -0.955 2.524 1271TIP3 H244446 -1.265 -1.103 2.497 1271TIP3 OH244447 -1.756 -1.139 2.874 1271TIP3 H144448 -1.808 -1.072 2.921 1271TIP3 H244449 -1.819 -1.166 2.804 1271TIP3 OH244450 -2.063 -1.497 2.785 1271TIP3 H144451 -2.058 -1.441 2.865 1271TIP3 H244452 -2.158 -1.513 2.778 1271TIP3 OH244453 -1.400 -0.919 1.970 1271TIP3 H144454 -1.382 -0.877 2.054 1271TIP3 H244455 -1.453 -0.854 1.923 1271TIP3 OH244456 -1.946 -0.919 2.956 1271TIP3 H144457 -1.956 -0.916 2.859 1271TIP3 H244458 -2.034 -0.948 2.987 1271TIP3 OH244459 -0.820 -2.414 1.564 1271TIP3 H144460 -0.903 -2.394 1.610 1271TIP3 H244461 -0.782 -2.325 1.551 1271TIP3 OH244462 -2.013 -1.579 1.803 1271TIP3 H144463 -2.022 -1.507 1.737 1271TIP3 H244464 -2.071 -1.645 1.764 1271TIP3 OH244465 -2.406 -1.311 2.668 1271TIP3 H144466 -2.440 -1.317 2.576 1271TIP3 H244467 -2.386 -1.405 2.687 1272TIP3 OH244468 -2.398 -1.021 2.362 1272TIP3 H144469 -2.305 -1.049 2.362 1272TIP3 H244470 -2.397 -0.956 2.434 1272TIP3 OH244471 -0.557 -0.955 2.939 1272TIP3 H144472 -0.563 -1.049 2.914 1272TIP3 H244473 -0.650 -0.936 2.965 1272TIP3 OH244474 -1.492 -1.035 2.818 1272TIP3 H144475 -1.486 -0.951 2.868 1272TIP3 H244476 -1.582 -1.064 2.840 1272TIP3 OH244477 -2.079 -0.740 1.978 1272TIP3 H144478 -2.061 -0.784 2.063 1272TIP3 H244479 -2.167 -0.769 1.956 1272TIP3 OH244480 -0.880 -1.820 2.979 1272TIP3 H144481 -0.927 -1.781 2.904 1272TIP3 H244482 -0.873 -1.913 2.951 1272TIP3 OH244483 -2.184 -1.154 2.795 1272TIP3 H144484 -2.153 -1.203 2.874 1272TIP3 H244485 -2.254 -1.212 2.759 1272TIP3 OH244486 -1.862 -2.310 2.369 1272TIP3 H144487 -1.944 -2.315 2.316 1272TIP3 H244488 -1.884 -2.235 2.426 1272TIP3 OH244489 -1.425 -2.351 2.732 1272TIP3 H144490 -1.372 -2.403 2.796 1272TIP3 H244491 -1.515 -2.385 2.745 1272TIP3 OH244492 -1.110 -1.973 2.783 1272TIP3 H144493 -1.169 -1.987 2.859 1272TIP3 H244494 -1.114 -1.877 2.769 1272TIP3 OH244495 -1.441 -2.102 1.450 1272TIP3 H144496 -1.496 -2.095 1.529 1272TIP3 H244497 -1.492 -2.161 1.393 1273TIP3 OH244498 -1.877 -1.830 2.507 1273TIP3 H144499 -1.931 -1.817 2.586 1273TIP3 H244500 -1.867 -1.738 2.473 1273TIP3 OH244501 -1.880 -1.822 1.996 1273TIP3 H144502 -1.976 -1.829 1.979 1273TIP3 H244503 -1.845 -1.840 1.907 1273TIP3 OH244504 -1.350 -1.716 1.856 1273TIP3 H144505 -1.383 -1.678 1.773 1273TIP3 H244506 -1.258 -1.736 1.829 1273TIP3 OH244507 -1.403 -1.743 3.013 1273TIP3 H144508 -1.453 -1.821 3.046 1273TIP3 H244509 -1.314 -1.759 3.051 1273TIP3 OH244510 -1.245 -1.826 2.139 1273TIP3 H144511 -1.260 -1.766 2.064 1273TIP3 H244512 -1.212 -1.905 2.092 1273TIP3 OH244513 -2.148 -1.810 2.695 1273TIP3 H144514 -2.108 -1.785 2.779 1273TIP3 H244515 -2.176 -1.901 2.714 1273TIP3 OH244516 -1.802 -2.047 1.346 1273TIP3 H144517 -1.844 -2.090 1.422 1273TIP3 H244518 -1.877 -2.039 1.284 1273TIP3 OH244519 -2.460 -2.069 2.059 1273TIP3 H144520 -2.395 -2.070 2.132 1273TIP3 H244521 -2.409 -2.102 1.983 1273TIP3 OH244522 -2.295 -2.017 1.630 1273TIP3 H144523 -2.245 -1.972 1.559 1273TIP3 H244524 -2.368 -1.954 1.641 1273TIP3 OH244525 -1.328 -1.656 2.595 1273TIP3 H144526 -1.284 -1.727 2.543 1273TIP3 H244527 -1.357 -1.704 2.673 1274TIP3 OH244528 -1.605 -2.064 2.099 1274TIP3 H144529 -1.699 -2.066 2.122 1274TIP3 H244530 -1.563 -2.082 2.184 1274TIP3 OH244531 -2.151 -1.942 1.969 1274TIP3 H144532 -2.230 -1.913 1.919 1274TIP3 H244533 -2.120 -2.019 1.918 1274TIP3 OH244534 -1.784 -1.898 1.733 1274TIP3 H144535 -1.687 -1.892 1.734 1274TIP3 H244536 -1.810 -1.847 1.654 1274TIP3 OH244537 -1.165 -2.152 2.405 1274TIP3 H144538 -1.231 -2.148 2.477 1274TIP3 H244539 -1.221 -2.181 2.331 1274TIP3 OH244540 -1.927 -1.786 1.498 1274TIP3 H144541 -1.987 -1.821 1.431 1274TIP3 H244542 -1.848 -1.765 1.446 1274TIP3 OH244543 -0.868 -0.569 3.068 1274TIP3 H144544 -0.844 -0.527 2.983 1274TIP3 H244545 -0.793 -0.543 3.125 1274TIP3 OH244546 -2.075 -1.308 3.010 1274TIP3 H144547 -2.007 -1.301 3.080 1274TIP3 H244548 -2.155 -1.311 3.067 1274TIP3 OH244549 -1.504 -1.808 2.281 1274TIP3 H144550 -1.429 -1.848 2.235 1274TIP3 H244551 -1.516 -1.869 2.356 1274TIP3 OH244552 -1.973 -2.167 1.901 1274TIP3 H144553 -2.029 -2.245 1.911 1274TIP3 H244554 -1.894 -2.203 1.859 1274TIP3 OH244555 -1.608 -1.965 2.507 1274TIP3 H144556 -1.683 -1.904 2.509 1274TIP3 H244557 -1.557 -1.939 2.586 1275TIP3 OH244558 -1.563 -1.378 1.727 1275TIP3 H144559 -1.594 -1.383 1.635 1275TIP3 H244560 -1.575 -1.284 1.744 1275TIP3 OH244561 -0.871 -1.405 2.572 1275TIP3 H144562 -0.818 -1.354 2.507 1275TIP3 H244563 -0.954 -1.420 2.522 1275TIP3 OH244564 -1.182 -2.032 1.498 1275TIP3 H144565 -1.273 -2.018 1.465 1275TIP3 H244566 -1.158 -1.943 1.531 1275TIP3 OH244567 -1.428 -1.323 2.829 1275TIP3 H144568 -1.459 -1.355 2.915 1275TIP3 H244569 -1.458 -1.231 2.828 1275TIP3 OH244570 -1.115 -1.818 1.677 1275TIP3 H144571 -1.034 -1.855 1.717 1275TIP3 H244572 -1.076 -1.746 1.624 1275TIP3 OH244573 -2.078 -1.385 2.278 1275TIP3 H144574 -2.023 -1.395 2.198 1275TIP3 H244575 -2.067 -1.471 2.321 1275TIP3 OH244576 -2.356 -1.555 2.807 1275TIP3 H144577 -2.335 -1.601 2.891 1275TIP3 H244578 -2.411 -1.620 2.760 1275TIP3 OH244579 -1.655 -1.605 3.002 1275TIP3 H144580 -1.687 -1.631 2.914 1275TIP3 H244581 -1.562 -1.635 2.996 1275TIP3 OH244582 -1.201 -1.064 2.775 1275TIP3 H144583 -1.298 -1.057 2.768 1275TIP3 H244584 -1.186 -1.039 2.868 1275TIP3 OH244585 -0.652 -1.843 1.636 1275TIP3 H144586 -0.709 -1.863 1.560 1275TIP3 H244587 -0.647 -1.745 1.629 1276TIP3 OH244588 -0.603 -1.252 2.934 1276TIP3 H144589 -0.696 -1.233 2.911 1276TIP3 H244590 -0.567 -1.276 2.846 1276TIP3 OH244591 -1.100 -1.466 2.403 1276TIP3 H144592 -1.191 -1.479 2.373 1276TIP3 H244593 -1.056 -1.539 2.354 1276TIP3 OH244594 -1.843 -1.045 2.011 1276TIP3 H144595 -1.794 -0.966 1.982 1276TIP3 H244596 -1.927 -1.030 1.967 1276TIP3 OH244597 -2.247 -1.575 1.458 1276TIP3 H144598 -2.188 -1.512 1.504 1276TIP3 H244599 -2.334 -1.546 1.488 1276TIP3 OH244600 -1.661 -1.298 1.989 1276TIP3 H144601 -1.681 -1.204 1.974 1276TIP3 H244602 -1.750 -1.334 2.000 1276TIP3 OH244603 -1.641 -0.861 2.604 1276TIP3 H144604 -1.585 -0.789 2.571 1276TIP3 H244605 -1.578 -0.912 2.656 1276TIP3 OH244606 -1.791 -0.777 1.923 1276TIP3 H144607 -1.880 -0.764 1.886 1276TIP3 H244608 -1.758 -0.686 1.922 1276TIP3 OH244609 -1.299 -1.290 2.558 1276TIP3 H144610 -1.326 -1.318 2.647 1276TIP3 H244611 -1.224 -1.349 2.540 1276TIP3 OH244612 -1.008 -0.828 2.802 1276TIP3 H144613 -1.081 -0.876 2.758 1276TIP3 H244614 -0.995 -0.752 2.742 1276TIP3 OH244615 -2.221 -2.091 2.767 1276TIP3 H144616 -2.312 -2.067 2.740 1276TIP3 H244617 -2.235 -2.179 2.807 1277TIP3 OH244618 -2.248 -0.917 2.608 1277TIP3 H144619 -2.213 -1.007 2.619 1277TIP3 H244620 -2.220 -0.877 2.692 1277TIP3 OH244621 -2.120 -1.380 1.630 1277TIP3 H144622 -2.181 -1.323 1.679 1277TIP3 H244623 -2.054 -1.318 1.595 1277TIP3 OH244624 -1.326 -2.108 2.622 1277TIP3 H144625 -1.261 -2.081 2.689 1277TIP3 H244626 -1.372 -2.183 2.664 1277TIP3 OH244627 -1.260 -2.164 1.738 1277TIP3 H144628 -1.239 -2.114 1.656 1277TIP3 H244629 -1.212 -2.112 1.804 1277TIP3 OH244630 -1.475 -0.973 1.667 1277TIP3 H144631 -1.564 -0.940 1.651 1277TIP3 H244632 -1.423 -0.921 1.604 1277TIP3 OH244633 -1.514 -1.964 1.842 1277TIP3 H144634 -1.443 -1.898 1.852 1277TIP3 H244635 -1.542 -1.979 1.934 1277TIP3 OH244636 -1.485 -1.875 2.759 1277TIP3 H144637 -1.476 -1.822 2.840 1277TIP3 H244638 -1.429 -1.951 2.778 1277TIP3 OH244639 -1.460 -2.265 1.932 1277TIP3 H144640 -1.479 -2.198 2.000 1277TIP3 H244641 -1.386 -2.222 1.885 1277TIP3 OH244642 -1.883 -2.163 1.588 1277TIP3 H144643 -1.893 -2.082 1.641 1277TIP3 H244644 -1.798 -2.197 1.620 1277TIP3 OH244645 -0.856 -2.073 2.847 1277TIP3 H144646 -0.951 -2.060 2.829 1277TIP3 H244647 -0.827 -2.093 2.757 1278TIP3 OH244648 -1.017 -1.688 2.264 1278TIP3 H144649 -1.078 -1.737 2.208 1278TIP3 H244650 -0.948 -1.755 2.283 1278TIP3 OH244651 -2.230 -1.860 1.408 1278TIP3 H144652 -2.221 -1.763 1.419 1278TIP3 H244653 -2.298 -1.865 1.338 1278TIP3 OH244654 -0.909 -0.768 2.400 1278TIP3 H144655 -0.915 -0.719 2.317 1278TIP3 H244656 -0.813 -0.781 2.408 1278TIP3 OH244657 -2.142 -2.352 2.286 1278TIP3 H144658 -2.158 -2.354 2.190 1278TIP3 H244659 -2.175 -2.439 2.315 1278TIP3 OH244660 -2.269 -0.979 1.877 1278TIP3 H144661 -2.334 -0.914 1.905 1278TIP3 H244662 -2.202 -0.926 1.831 1278TIP3 OH244663 -2.311 -0.712 3.028 1278TIP3 H144664 -2.253 -0.740 3.101 1278TIP3 H244665 -2.349 -0.797 3.000 1278TIP3 OH244666 -1.842 -0.806 3.207 1278TIP3 H144667 -1.773 -0.871 3.228 1278TIP3 H244668 -1.865 -0.832 3.116 1278TIP3 OH244669 -1.198 -0.977 3.066 1278TIP3 H144670 -1.237 -1.061 3.099 1278TIP3 H244671 -1.127 -0.960 3.130 1278TIP3 OH244672 -2.316 -1.349 3.140 1278TIP3 H144673 -2.306 -1.440 3.109 1278TIP3 H244674 -2.393 -1.319 3.087 1278TIP3 OH244675 -1.653 -1.330 3.075 1278TIP3 H144676 -1.683 -1.298 2.988 1278TIP3 H244677 -1.645 -1.427 3.060 1279TIP3 OH244678 -1.116 -1.368 2.815 1279TIP3 H144679 -1.037 -1.318 2.790 1279TIP3 H244680 -1.185 -1.300 2.811 1279TIP3 OH244681 -2.230 -1.635 3.057 1279TIP3 H144682 -2.156 -1.699 3.056 1279TIP3 H244683 -2.234 -1.615 3.152 1279TIP3 OH244684 -1.798 -1.494 1.575 1279TIP3 H144685 -1.836 -1.565 1.627 1279TIP3 H244686 -1.754 -1.543 1.503 1279TIP3 OH244687 -1.868 -1.724 2.797 1279TIP3 H144688 -1.916 -1.643 2.821 1279TIP3 H244689 -1.798 -1.689 2.739 1279TIP3 OH244690 -1.661 -1.689 1.399 1279TIP3 H144691 -1.660 -1.678 1.303 1279TIP3 H244692 -1.566 -1.679 1.418 1279TIP3 OH244693 -1.332 -1.451 3.159 1279TIP3 H144694 -1.244 -1.472 3.123 1279TIP3 H244695 -1.359 -1.537 3.194 1279TIP3 OH244696 -1.806 -1.993 2.915 1279TIP3 H144697 -1.797 -2.059 2.844 1279TIP3 H244698 -1.824 -1.913 2.863 1279TIP3 OH244699 -1.772 -2.146 2.661 1279TIP3 H144700 -1.719 -2.095 2.597 1279TIP3 H244701 -1.862 -2.143 2.623 1279TIP3 OH244702 -1.618 -1.602 2.701 1279TIP3 H144703 -1.534 -1.612 2.654 1279TIP3 H244704 -1.647 -1.514 2.669 1279TIP3 OH244705 -1.158 -1.808 3.181 1279TIP3 H144706 -1.136 -1.902 3.190 1279TIP3 H244707 -1.069 -1.770 3.170 1280TIP3 OH244708 -1.063 -1.528 3.030 1280TIP3 H144709 -1.096 -1.468 2.959 1280TIP3 H244710 -0.974 -1.546 2.995 1280TIP3 OH244711 -1.985 -1.808 3.093 1280TIP3 H144712 -2.037 -1.890 3.095 1280TIP3 H244713 -1.903 -1.838 3.050 1280TIP3 OH244714 -1.700 -2.414 2.696 1280TIP3 H144715 -1.716 -2.318 2.679 1280TIP3 H244716 -1.769 -2.455 2.641 1280TIP3 OH244717 -1.574 -1.955 3.075 1280TIP3 H144718 -1.609 -1.979 3.163 1280TIP3 H244719 -1.652 -1.976 3.020 1280TIP3 OH244720 -1.319 -2.051 2.962 1280TIP3 H144721 -1.408 -2.048 3.002 1280TIP3 H244722 -1.273 -2.115 3.019 1280TIP3 OH244723 -1.135 -2.203 3.134 1280TIP3 H144724 -1.150 -2.299 3.149 1280TIP3 H244725 -1.152 -2.163 3.221 1280TIP3 OH244726 -2.118 -2.062 3.078 1280TIP3 H144727 -2.124 -2.133 3.012 1280TIP3 H244728 -2.138 -2.111 3.161 1280TIP3 OH244729 -1.715 -2.464 2.977 1280TIP3 H144730 -1.657 -2.541 2.983 1280TIP3 H244731 -1.717 -2.450 2.880 1280TIP3 OH244732 -1.620 -2.278 3.161 1280TIP3 H144733 -1.650 -2.338 3.090 1280TIP3 H244734 -1.691 -2.211 3.165 1280TIP3 OH244735 -2.443 -0.611 1.941 1280TIP3 H144736 -2.512 -0.654 1.888 1280TIP3 H244737 -2.418 -0.681 2.004 1281TIP3 OH244738 -2.394 -0.819 2.135 1281TIP3 H144739 -2.404 -0.908 2.172 1281TIP3 H244740 -2.349 -0.775 2.209 1281TIP3 OH244741 -0.629 -0.672 2.442 1281TIP3 H144742 -0.603 -0.697 2.532 1281TIP3 H244743 -0.544 -0.664 2.397 1281TIP3 OH244744 -0.640 -0.741 2.731 1281TIP3 H144745 -0.692 -0.812 2.689 1281TIP3 H244746 -0.582 -0.794 2.788 1281TIP3 OH244747 -0.839 -1.196 3.155 1281TIP3 H144748 -0.927 -1.193 3.195 1281TIP3 H244749 -0.795 -1.115 3.186 1281TIP3 OH244750 -0.681 -1.261 2.423 1281TIP3 H144751 -0.623 -1.315 2.366 1281TIP3 H244752 -0.666 -1.172 2.386 1281TIP3 OH244753 -0.810 -0.967 2.647 1281TIP3 H144754 -0.886 -0.933 2.695 1281TIP3 H244755 -0.853 -1.007 2.568 1281TIP3 OH244756 -0.821 -1.712 2.035 1281TIP3 H144757 -0.856 -1.756 1.957 1281TIP3 H244758 -0.889 -1.649 2.058 1281TIP3 OH244759 -2.378 -1.473 2.378 1281TIP3 H144760 -2.354 -1.474 2.284 1281TIP3 H244761 -2.292 -1.498 2.418 1281TIP3 OH244762 -0.801 -1.505 2.926 1281TIP3 H144763 -0.727 -1.569 2.932 1281TIP3 H244764 -0.755 -1.425 2.899 1281TIP3 OH244765 -0.647 -1.698 3.052 1281TIP3 H144766 -0.725 -1.750 3.021 1281TIP3 H244767 -0.575 -1.763 3.042 1282TIP3 OH244768 -0.854 -2.058 1.344 1282TIP3 H144769 -0.797 -2.119 1.392 1282TIP3 H244770 -0.933 -2.108 1.319 1282TIP3 OH244771 -0.888 -1.936 1.822 1282TIP3 H144772 -0.853 -2.027 1.828 1282TIP3 H244773 -0.812 -1.892 1.780 1282TIP3 OH244774 -0.851 -1.896 2.369 1282TIP3 H144775 -0.755 -1.879 2.356 1282TIP3 H244776 -0.858 -1.885 2.465 1282TIP3 OH244777 -0.834 -1.818 2.655 1282TIP3 H144778 -0.920 -1.777 2.675 1282TIP3 H244779 -0.780 -1.741 2.628 1282TIP3 OH244780 -2.385 -1.943 3.017 1282TIP3 H144781 -2.291 -1.969 3.021 1282TIP3 H244782 -2.428 -2.030 3.024 1282TIP3 OH244783 -0.578 -2.405 3.180 1282TIP3 H144784 -0.537 -2.473 3.123 1282TIP3 H244785 -0.576 -2.327 3.121 1282TIP3 OH244786 -0.828 -2.220 1.823 1282TIP3 H144787 -0.811 -2.254 1.912 1282TIP3 H244788 -0.905 -2.273 1.795 1282TIP3 OH244789 -2.309 -2.110 2.301 1282TIP3 H144790 -2.262 -2.195 2.304 1282TIP3 H244791 -2.239 -2.050 2.332 1282TIP3 OH244792 -2.455 -1.841 2.401 1282TIP3 H144793 -2.396 -1.850 2.324 1282TIP3 H244794 -2.414 -1.766 2.447 1282TIP3 OH244795 -0.642 -2.199 3.006 1282TIP3 H144796 -0.730 -2.157 3.005 1282TIP3 H244797 -0.649 -2.254 2.925 1283TIP3 OH244798 -0.632 -2.190 1.493 1283TIP3 H144799 -0.592 -2.260 1.438 1283TIP3 H244800 -0.557 -2.128 1.503 1283TIP3 OH244801 -2.404 -2.205 1.809 1283TIP3 H144802 -2.498 -2.203 1.784 1283TIP3 H244803 -2.363 -2.148 1.741 1283TIP3 OH244804 -2.399 -2.318 2.624 1283TIP3 H144805 -2.471 -2.348 2.681 1283TIP3 H244806 -2.449 -2.268 2.556 1283TIP3 OH244807 -2.201 -1.008 3.091 1283TIP3 H144808 -2.272 -1.014 3.026 1283TIP3 H244809 -2.248 -1.016 3.175 1283TIP3 OH244810 -1.918 -0.911 2.658 1283TIP3 H144811 -1.947 -0.826 2.621 1283TIP3 H244812 -1.822 -0.905 2.640 1283TIP3 OH244813 -1.468 -0.781 2.959 1283TIP3 H144814 -1.450 -0.799 3.053 1283TIP3 H244815 -1.385 -0.737 2.932 1283TIP3 OH244816 -1.240 -0.632 2.881 1283TIP3 H144817 -1.172 -0.696 2.853 1283TIP3 H244818 -1.207 -0.606 2.969 1283TIP3 OH244819 -0.757 -2.378 2.804 1283TIP3 H144820 -0.834 -2.356 2.750 1283TIP3 H244821 -0.732 -2.466 2.770 1283TIP3 OH244822 -2.179 -0.616 2.690 1283TIP3 H144823 -2.240 -0.554 2.645 1283TIP3 H244824 -2.215 -0.614 2.780 1283TIP3 OH244825 -1.930 -0.640 2.548 1283TIP3 H144826 -2.016 -0.620 2.590 1283TIP3 H244827 -1.925 -0.575 2.476 1284TIP3 OH244828 -1.454 -0.640 2.499 1284TIP3 H144829 -1.490 -0.597 2.419 1284TIP3 H244830 -1.445 -0.565 2.559 1284TIP3 OH244831 -1.223 -0.769 2.598 1284TIP3 H144832 -1.306 -0.737 2.560 1284TIP3 H244833 -1.165 -0.693 2.586 1284TIP3 OH244834 -0.966 -0.599 2.618 1284TIP3 H144835 -0.979 -0.509 2.584 1284TIP3 H244836 -0.942 -0.648 2.537 1284TIP3 OH244837 -2.233 -0.739 2.384 1284TIP3 H144838 -2.230 -0.784 2.471 1284TIP3 H244839 -2.153 -0.777 2.342 1284TIP3 OH244840 -2.026 -0.858 2.240 1284TIP3 H144841 -2.032 -0.954 2.257 1284TIP3 H244842 -1.931 -0.841 2.259 1284TIP3 OH244843 -1.745 -0.805 2.315 1284TIP3 H144844 -1.718 -0.894 2.286 1284TIP3 H244845 -1.737 -0.814 2.411 1284TIP3 OH244846 -1.412 -2.226 2.247 1284TIP3 H144847 -1.480 -2.295 2.260 1284TIP3 H244848 -1.347 -2.272 2.190 1284TIP3 OH244849 -0.914 -2.424 2.294 1284TIP3 H144850 -0.837 -2.379 2.253 1284TIP3 H244851 -0.987 -2.392 2.240 1284TIP3 OH244852 -0.710 -2.316 2.075 1284TIP3 H144853 -0.634 -2.352 2.027 1284TIP3 H244854 -0.674 -2.227 2.097 1284TIP3 OH244855 -2.176 -2.358 2.007 1284TIP3 H144856 -2.261 -2.368 1.959 1284TIP3 H244857 -2.133 -2.443 1.988 1285TIP3 OH244858 -2.291 -2.410 1.594 1285TIP3 H144859 -2.240 -2.346 1.539 1285TIP3 H244860 -2.336 -2.351 1.656 1285TIP3 OH244861 -1.728 -2.379 1.988 1285TIP3 H144862 -1.639 -2.342 1.978 1285TIP3 H244863 -1.734 -2.387 2.084 1285TIP3 OH244864 -1.177 -2.367 2.130 1285TIP3 H144865 -1.139 -2.381 2.042 1285TIP3 H244866 -1.205 -2.457 2.154 1285TIP3 OH244867 -1.059 -2.373 1.733 1285TIP3 H144868 -1.137 -2.318 1.710 1285TIP3 H244869 -1.099 -2.461 1.745 1285TIP3 OH244870 -2.131 -2.239 1.448 1285TIP3 H144871 -2.075 -2.263 1.372 1285TIP3 H244872 -2.066 -2.190 1.502 1285TIP3 OH244873 -1.619 -2.224 1.692 1285TIP3 H144874 -1.578 -2.269 1.769 1285TIP3 H244875 -1.595 -2.132 1.715 1285TIP3 OH244876 -1.418 -0.723 1.538 1285TIP3 H144877 -1.378 -0.636 1.541 1285TIP3 H244878 -1.465 -0.722 1.454 1285TIP3 OH244879 -2.197 -2.332 2.957 1285TIP3 H144880 -2.236 -2.414 2.992 1285TIP3 H244881 -2.104 -2.345 2.983 1285TIP3 OH244882 -1.958 -2.393 3.129 1285TIP3 H144883 -1.876 -2.428 3.089 1285TIP3 H244884 -1.992 -2.473 3.174 1285TIP3 OH244885 -1.145 -2.483 3.147 1285TIP3 H144886 -1.142 -2.524 3.235 1285TIP3 H244887 -1.051 -2.486 3.120 1286TIP3 OH244888 -0.815 -0.849 3.022 1286TIP3 H144889 -0.882 -0.869 2.954 1286TIP3 H244890 -0.829 -0.754 3.033 1286TIP3 OH244891 0.615 -1.479 2.025 1286TIP3 H144892 0.614 -1.383 2.038 1286TIP3 H244893 0.544 -1.491 1.961 1286TIP3 OH244894 0.500 -1.538 2.336 1286TIP3 H144895 0.494 -1.593 2.415 1286TIP3 H244896 0.468 -1.598 2.267 1286TIP3 OH244897 -0.264 -1.570 2.512 1286TIP3 H144898 -0.259 -1.652 2.563 1286TIP3 H244899 -0.180 -1.527 2.535 1286TIP3 OH244900 0.865 -1.267 2.166 1286TIP3 H144901 0.826 -1.333 2.224 1286TIP3 H244902 0.889 -1.198 2.229 1286TIP3 OH244903 -0.192 -1.124 2.360 1286TIP3 H144904 -0.214 -1.215 2.331 1286TIP3 H244905 -0.096 -1.133 2.369 1286TIP3 OH244906 -0.521 -1.755 1.891 1286TIP3 H144907 -0.576 -1.676 1.904 1286TIP3 H244908 -0.577 -1.804 1.829 1286TIP3 OH244909 -0.416 -1.514 2.098 1286TIP3 H144910 -0.440 -1.606 2.114 1286TIP3 H244911 -0.347 -1.524 2.033 1286TIP3 OH244912 0.583 -0.697 2.248 1286TIP3 H144913 0.615 -0.750 2.174 1286TIP3 H244914 0.551 -0.764 2.309 1286TIP3 OH244915 0.342 -1.285 2.398 1286TIP3 H144916 0.372 -1.352 2.334 1286TIP3 H244917 0.426 -1.270 2.445 1287TIP3 OH244918 1.214 -2.136 2.459 1287TIP3 H144919 1.236 -2.072 2.528 1287TIP3 H244920 1.272 -2.106 2.386 1287TIP3 OH244921 0.678 -1.852 2.446 1287TIP3 H144922 0.687 -1.949 2.450 1287TIP3 H244923 0.668 -1.838 2.350 1287TIP3 OH244924 0.758 -2.037 1.981 1287TIP3 H144925 0.815 -2.078 2.049 1287TIP3 H244926 0.823 -1.988 1.929 1287TIP3 OH244927 -0.320 -1.778 2.224 1287TIP3 H144928 -0.282 -1.855 2.271 1287TIP3 H244929 -0.331 -1.816 2.136 1287TIP3 OH244930 0.177 -1.637 2.148 1287TIP3 H144931 0.247 -1.693 2.188 1287TIP3 H244932 0.124 -1.704 2.099 1287TIP3 OH244933 1.286 -1.995 2.707 1287TIP3 H144934 1.227 -1.925 2.676 1287TIP3 H244935 1.261 -2.001 2.800 1287TIP3 OH244936 -0.139 -2.151 2.568 1287TIP3 H144937 -0.185 -2.127 2.484 1287TIP3 H244938 -0.211 -2.135 2.631 1287TIP3 OH244939 0.593 -1.193 1.907 1287TIP3 H144940 0.574 -1.214 1.814 1287TIP3 H244941 0.558 -1.104 1.915 1287TIP3 OH244942 0.149 -1.383 2.584 1287TIP3 H144943 0.074 -1.325 2.606 1287TIP3 H244944 0.208 -1.324 2.534 1287TIP3 OH244945 0.941 -2.112 2.188 1287TIP3 H144946 0.897 -2.168 2.253 1287TIP3 H244947 0.990 -2.050 2.244 1288TIP3 OH244948 -0.054 -1.196 2.658 1288TIP3 H144949 -0.061 -1.106 2.620 1288TIP3 H244950 -0.142 -1.206 2.696 1288TIP3 OH244951 0.922 -1.079 2.422 1288TIP3 H144952 0.824 -1.070 2.420 1288TIP3 H244953 0.948 -0.995 2.380 1288TIP3 OH244954 0.953 -2.194 2.572 1288TIP3 H144955 0.875 -2.156 2.527 1288TIP3 H244956 1.024 -2.177 2.508 1288TIP3 OH244957 0.257 -2.419 2.290 1288TIP3 H144958 0.238 -2.513 2.274 1288TIP3 H244959 0.169 -2.385 2.313 1288TIP3 OH244960 0.780 -0.889 2.082 1288TIP3 H144961 0.803 -0.961 2.021 1288TIP3 H244962 0.761 -0.816 2.023 1288TIP3 OH244963 0.900 -1.114 1.913 1288TIP3 H144964 0.831 -1.156 1.860 1288TIP3 H244965 0.893 -1.164 1.997 1288TIP3 OH244966 1.053 -1.219 2.786 1288TIP3 H144967 1.038 -1.283 2.714 1288TIP3 H244968 1.061 -1.135 2.737 1288TIP3 OH244969 0.503 -1.531 1.724 1288TIP3 H144970 0.432 -1.469 1.698 1288TIP3 H244971 0.570 -1.506 1.659 1288TIP3 OH244972 1.228 -1.600 2.578 1288TIP3 H144973 1.154 -1.537 2.587 1288TIP3 H244974 1.273 -1.564 2.500 1288TIP3 OH244975 0.819 -1.541 1.832 1288TIP3 H144976 0.757 -1.508 1.900 1288TIP3 H244977 0.889 -1.580 1.888 1289TIP3 OH244978 0.812 -1.675 2.748 1289TIP3 H144979 0.816 -1.592 2.798 1289TIP3 H244980 0.746 -1.648 2.681 1289TIP3 OH244981 -0.007 -1.453 2.017 1289TIP3 H144982 -0.035 -1.516 1.949 1289TIP3 H244983 0.049 -1.510 2.072 1289TIP3 OH244984 0.120 -1.117 2.297 1289TIP3 H144985 0.130 -1.162 2.211 1289TIP3 H244986 0.199 -1.153 2.343 1289TIP3 OH244987 0.043 -1.572 2.392 1289TIP3 H144988 0.101 -1.570 2.314 1289TIP3 H244989 0.086 -1.509 2.452 1289TIP3 OH244990 0.637 -1.020 2.450 1289TIP3 H144991 0.641 -0.953 2.520 1289TIP3 H244992 0.617 -1.102 2.498 1289TIP3 OH244993 0.129 -1.140 2.874 1289TIP3 H144994 0.077 -1.071 2.920 1289TIP3 H244995 0.068 -1.167 2.803 1289TIP3 OH244996 -0.171 -1.497 2.788 1289TIP3 H144997 -0.174 -1.443 2.869 1289TIP3 H244998 -0.266 -1.512 2.770 1289TIP3 OH244999 -0.062 -0.916 2.956 1289TIP3 H145000 -0.069 -0.914 2.859 1289TIP3 H245001 -0.149 -0.950 2.984 1289TIP3 OH245002 1.067 -2.411 1.561 1289TIP3 H145003 0.980 -2.399 1.605 1289TIP3 H245004 1.103 -2.321 1.561 1289TIP3 OH245005 -0.120 -1.555 1.734 1289TIP3 H145006 -0.159 -1.481 1.780 1289TIP3 H245007 -0.174 -1.631 1.762 1290TIP3 OH245008 -0.517 -1.309 2.668 1290TIP3 H145009 -0.557 -1.308 2.578 1290TIP3 H245010 -0.501 -1.405 2.680 1290TIP3 OH245011 -0.510 -1.008 2.357 1290TIP3 H145012 -0.419 -1.043 2.353 1290TIP3 H245013 -0.507 -0.955 2.437 1290TIP3 OH245014 1.329 -0.957 2.938 1290TIP3 H145015 1.317 -1.051 2.919 1290TIP3 H245016 1.238 -0.933 2.966 1290TIP3 OH245017 0.394 -1.036 2.819 1290TIP3 H145018 0.400 -0.951 2.868 1290TIP3 H245019 0.303 -1.064 2.839 1290TIP3 OH245020 1.009 -1.820 2.978 1290TIP3 H145021 0.955 -1.780 2.908 1290TIP3 H245022 1.012 -1.913 2.950 1290TIP3 OH245023 -0.303 -1.150 2.798 1290TIP3 H145024 -0.268 -1.205 2.872 1290TIP3 H245025 -0.369 -1.208 2.757 1290TIP3 OH245026 -0.016 -2.324 2.351 1290TIP3 H145027 -0.098 -2.316 2.299 1290TIP3 H245028 -0.024 -2.243 2.404 1290TIP3 OH245029 0.461 -2.350 2.732 1290TIP3 H145030 0.513 -2.404 2.795 1290TIP3 H245031 0.370 -2.383 2.745 1290TIP3 OH245032 0.779 -1.971 2.786 1290TIP3 H145033 0.715 -1.987 2.858 1290TIP3 H245034 0.769 -1.875 2.769 1290TIP3 OH245035 0.008 -1.853 2.504 1290TIP3 H145036 -0.075 -1.856 2.553 1290TIP3 H245037 -0.008 -1.778 2.444 1291TIP3 OH245038 0.004 -1.805 1.986 1291TIP3 H145039 -0.087 -1.840 1.998 1291TIP3 H245040 0.034 -1.865 1.916 1291TIP3 OH245041 0.562 -1.767 1.872 1291TIP3 H145042 0.525 -1.683 1.839 1291TIP3 H245043 0.637 -1.776 1.812 1291TIP3 OH245044 0.483 -1.745 3.011 1291TIP3 H145045 0.433 -1.821 3.045 1291TIP3 H245046 0.571 -1.759 3.051 1291TIP3 OH245047 0.654 -1.827 2.155 1291TIP3 H145048 0.623 -1.767 2.085 1291TIP3 H245049 0.672 -1.907 2.102 1291TIP3 OH245050 -0.271 -1.807 2.701 1291TIP3 H145051 -0.220 -1.788 2.781 1291TIP3 H245052 -0.294 -1.900 2.714 1291TIP3 OH245053 -0.554 -2.083 2.086 1291TIP3 H145054 -0.475 -2.077 2.142 1291TIP3 H245055 -0.518 -2.102 1.999 1291TIP3 OH245056 -0.421 -2.018 1.620 1291TIP3 H145057 -0.362 -1.970 1.558 1291TIP3 H245058 -0.487 -1.950 1.637 1291TIP3 OH245059 0.562 -1.658 2.600 1291TIP3 H145060 0.605 -1.730 2.548 1291TIP3 H245061 0.525 -1.707 2.674 1291TIP3 OH245062 0.249 -2.067 2.104 1291TIP3 H145063 0.154 -2.059 2.123 1291TIP3 H245064 0.287 -2.076 2.193 1291TIP3 OH245065 -0.262 -1.916 1.943 1291TIP3 H145066 -0.355 -1.911 1.917 1291TIP3 H245067 -0.238 -2.008 1.924 1292TIP3 OH245068 0.123 -1.917 1.717 1292TIP3 H145069 0.209 -1.891 1.754 1292TIP3 H245070 0.083 -1.834 1.688 1292TIP3 OH245071 0.719 -2.151 2.400 1292TIP3 H145072 0.655 -2.149 2.474 1292TIP3 H245073 0.660 -2.183 2.329 1292TIP3 OH245074 -0.082 -1.840 1.510 1292TIP3 H145075 -0.123 -1.827 1.423 1292TIP3 H245076 -0.026 -1.763 1.517 1292TIP3 OH245077 1.020 -0.571 3.068 1292TIP3 H145078 1.041 -0.526 2.985 1292TIP3 H245079 1.090 -0.540 3.127 1292TIP3 OH245080 -0.191 -1.306 3.012 1292TIP3 H145081 -0.121 -1.301 3.081 1292TIP3 H245082 -0.270 -1.311 3.068 1292TIP3 OH245083 0.382 -1.809 2.277 1292TIP3 H145084 0.458 -1.856 2.239 1292TIP3 H245085 0.360 -1.865 2.354 1292TIP3 OH245086 -0.084 -2.157 1.904 1292TIP3 H145087 -0.143 -2.227 1.938 1292TIP3 H245088 -0.021 -2.206 1.851 1292TIP3 OH245089 0.271 -1.947 2.508 1292TIP3 H145090 0.183 -1.904 2.509 1292TIP3 H245091 0.310 -1.919 2.593 1292TIP3 OH245092 0.286 -1.333 1.736 1292TIP3 H145093 0.224 -1.377 1.676 1292TIP3 H245094 0.257 -1.355 1.824 1292TIP3 OH245095 1.016 -1.409 2.570 1292TIP3 H145096 1.065 -1.353 2.506 1292TIP3 H245097 0.930 -1.421 2.525 1293TIP3 OH245098 0.658 -2.021 1.501 1293TIP3 H145099 0.581 -1.970 1.476 1293TIP3 H245100 0.719 -1.949 1.531 1293TIP3 OH245101 0.461 -1.322 2.830 1293TIP3 H145102 0.428 -1.355 2.914 1293TIP3 H245103 0.428 -1.231 2.828 1293TIP3 OH245104 0.780 -1.827 1.649 1293TIP3 H145105 0.859 -1.849 1.703 1293TIP3 H245106 0.805 -1.742 1.611 1293TIP3 OH245107 -0.186 -1.388 2.278 1293TIP3 H145108 -0.138 -1.403 2.195 1293TIP3 H245109 -0.192 -1.477 2.315 1293TIP3 OH245110 0.580 -1.216 1.608 1293TIP3 H145111 0.589 -1.265 1.525 1293TIP3 H245112 0.541 -1.133 1.578 1293TIP3 OH245113 -0.479 -1.553 2.813 1293TIP3 H145114 -0.450 -1.606 2.889 1293TIP3 H245115 -0.522 -1.618 2.755 1293TIP3 OH245116 0.227 -1.609 2.999 1293TIP3 H145117 0.198 -1.630 2.908 1293TIP3 H245118 0.320 -1.637 2.993 1293TIP3 OH245119 0.686 -1.064 2.776 1293TIP3 H145120 0.589 -1.057 2.767 1293TIP3 H245121 0.699 -1.038 2.868 1293TIP3 OH245122 1.235 -1.837 1.650 1293TIP3 H145123 1.184 -1.857 1.569 1293TIP3 H245124 1.257 -1.745 1.631 1293TIP3 OH245125 1.283 -1.254 2.932 1293TIP3 H145126 1.189 -1.233 2.913 1293TIP3 H245127 1.316 -1.273 2.842 1294TIP3 OH245128 1.121 -0.947 1.776 1294TIP3 H145129 1.054 -1.016 1.787 1294TIP3 H245130 1.117 -0.926 1.682 1294TIP3 OH245131 0.781 -1.466 2.402 1294TIP3 H145132 0.688 -1.480 2.376 1294TIP3 H245133 0.826 -1.536 2.350 1294TIP3 OH245134 -0.379 -1.498 1.469 1294TIP3 H145135 -0.327 -1.555 1.525 1294TIP3 H245136 -0.471 -1.520 1.498 1294TIP3 OH245137 0.190 -1.237 2.040 1294TIP3 H145138 0.182 -1.175 1.967 1294TIP3 H245139 0.130 -1.310 2.016 1294TIP3 OH245140 0.244 -0.861 2.602 1294TIP3 H145141 0.298 -0.786 2.569 1294TIP3 H245142 0.310 -0.909 2.655 1294TIP3 OH245143 0.587 -1.286 2.560 1294TIP3 H145144 0.557 -1.316 2.647 1294TIP3 H245145 0.659 -1.349 2.540 1294TIP3 OH245146 0.880 -0.829 2.798 1294TIP3 H145147 0.804 -0.875 2.757 1294TIP3 H245148 0.889 -0.750 2.741 1294TIP3 OH245149 -0.339 -2.087 2.776 1294TIP3 H145150 -0.426 -2.066 2.737 1294TIP3 H245151 -0.352 -2.181 2.799 1294TIP3 OH245152 0.940 -1.296 1.652 1294TIP3 H145153 0.885 -1.357 1.702 1294TIP3 H245154 1.015 -1.281 1.711 1294TIP3 OH245155 -0.365 -0.911 2.605 1294TIP3 H145156 -0.332 -1.002 2.606 1294TIP3 H245157 -0.329 -0.878 2.688 1295TIP3 OH245158 0.562 -2.109 2.619 1295TIP3 H145159 0.621 -2.082 2.691 1295TIP3 H245160 0.510 -2.181 2.660 1295TIP3 OH245161 0.635 -2.168 1.733 1295TIP3 H145162 0.651 -2.104 1.661 1295TIP3 H245163 0.667 -2.119 1.811 1295TIP3 OH245164 0.371 -1.972 1.851 1295TIP3 H145165 0.441 -1.905 1.866 1295TIP3 H245166 0.331 -1.981 1.939 1295TIP3 OH245167 0.400 -1.873 2.758 1295TIP3 H145168 0.408 -1.821 2.840 1295TIP3 H245169 0.454 -1.950 2.777 1295TIP3 OH245170 0.427 -2.263 1.941 1295TIP3 H145171 0.399 -2.193 2.002 1295TIP3 H245172 0.491 -2.214 1.886 1295TIP3 OH245173 -0.001 -2.161 1.590 1295TIP3 H145174 -0.003 -2.072 1.630 1295TIP3 H245175 0.087 -2.192 1.613 1295TIP3 OH245176 1.031 -2.073 2.845 1295TIP3 H145177 0.935 -2.059 2.832 1295TIP3 H245178 1.055 -2.095 2.754 1295TIP3 OH245179 0.886 -1.688 2.246 1295TIP3 H145180 0.803 -1.730 2.219 1295TIP3 H245181 0.932 -1.761 2.293 1295TIP3 OH245182 -0.368 -1.850 1.395 1295TIP3 H145183 -0.343 -1.757 1.397 1295TIP3 H245184 -0.459 -1.844 1.363 1295TIP3 OH245185 0.984 -0.795 2.396 1295TIP3 H145186 0.957 -0.725 2.335 1295TIP3 H245187 1.079 -0.777 2.405 1296TIP3 OH245188 -0.428 -0.712 3.031 1296TIP3 H145189 -0.365 -0.745 3.099 1296TIP3 H245190 -0.463 -0.797 2.996 1296TIP3 OH245191 0.038 -0.808 3.208 1296TIP3 H145192 0.111 -0.868 3.228 1296TIP3 H245193 0.020 -0.832 3.115 1296TIP3 OH245194 0.689 -0.977 3.067 1296TIP3 H145195 0.652 -1.061 3.101 1296TIP3 H245196 0.760 -0.958 3.131 1296TIP3 OH245197 -0.433 -1.349 3.143 1296TIP3 H145198 -0.420 -1.439 3.109 1296TIP3 H245199 -0.506 -1.319 3.085 1296TIP3 OH245200 0.229 -1.332 3.075 1296TIP3 H145201 0.202 -1.298 2.988 1296TIP3 H245202 0.238 -1.428 3.058 1296TIP3 OH245203 0.770 -1.369 2.815 1296TIP3 H145204 0.847 -1.314 2.792 1296TIP3 H245205 0.698 -1.303 2.811 1296TIP3 OH245206 -0.344 -1.635 3.058 1296TIP3 H145207 -0.270 -1.698 3.054 1296TIP3 H245208 -0.349 -1.618 3.153 1296TIP3 OH245209 0.024 -1.729 2.791 1296TIP3 H145210 -0.029 -1.649 2.811 1296TIP3 H245211 0.085 -1.694 2.724 1296TIP3 OH245212 0.553 -1.451 3.159 1296TIP3 H145213 0.641 -1.471 3.125 1296TIP3 H245214 0.527 -1.537 3.195 1296TIP3 OH245215 0.082 -1.991 2.914 1296TIP3 H145216 0.089 -2.059 2.845 1296TIP3 H245217 0.061 -1.913 2.861 1297TIP3 OH245218 0.124 -2.149 2.660 1297TIP3 H145219 0.173 -2.092 2.599 1297TIP3 H245220 0.032 -2.141 2.626 1297TIP3 OH245221 0.272 -1.599 2.703 1297TIP3 H145222 0.352 -1.609 2.650 1297TIP3 H245223 0.238 -1.514 2.670 1297TIP3 OH245224 0.726 -1.809 3.178 1297TIP3 H145225 0.748 -1.902 3.193 1297TIP3 H245226 0.814 -1.769 3.173 1297TIP3 OH245227 0.824 -1.529 3.028 1297TIP3 H145228 0.789 -1.469 2.960 1297TIP3 H245229 0.913 -1.546 2.991 1297TIP3 OH245230 -0.097 -1.808 3.092 1297TIP3 H145231 -0.150 -1.890 3.092 1297TIP3 H245232 -0.016 -1.838 3.048 1297TIP3 OH245233 0.188 -2.416 2.697 1297TIP3 H145234 0.172 -2.321 2.680 1297TIP3 H245235 0.118 -2.457 2.642 1297TIP3 OH245236 0.313 -1.958 3.075 1297TIP3 H145237 0.275 -1.978 3.162 1297TIP3 H245238 0.234 -1.974 3.018 1297TIP3 OH245239 0.567 -2.052 2.960 1297TIP3 H145240 0.478 -2.046 3.000 1297TIP3 H245241 0.612 -2.115 3.020 1297TIP3 OH245242 0.753 -2.204 3.134 1297TIP3 H145243 0.735 -2.298 3.151 1297TIP3 H245244 0.733 -2.162 3.220 1297TIP3 OH245245 -0.226 -2.063 3.080 1297TIP3 H145246 -0.240 -2.128 3.010 1297TIP3 H245247 -0.256 -2.112 3.159 1298TIP3 OH245248 0.169 -2.466 2.977 1298TIP3 H145249 0.231 -2.540 2.981 1298TIP3 H245250 0.165 -2.450 2.881 1298TIP3 OH245251 0.263 -2.280 3.164 1298TIP3 H145252 0.235 -2.338 3.091 1298TIP3 H245253 0.196 -2.210 3.163 1298TIP3 OH245254 -0.511 -0.785 2.122 1298TIP3 H145255 -0.525 -0.881 2.120 1298TIP3 H245256 -0.459 -0.773 2.201 1298TIP3 OH245257 1.257 -0.687 2.437 1298TIP3 H145258 1.273 -0.690 2.533 1298TIP3 H245259 1.342 -0.654 2.404 1298TIP3 OH245260 1.247 -0.742 2.725 1298TIP3 H145261 1.193 -0.815 2.689 1298TIP3 H245262 1.300 -0.791 2.790 1298TIP3 OH245263 1.046 -1.200 3.155 1298TIP3 H145264 0.957 -1.192 3.194 1298TIP3 H245265 1.090 -1.119 3.185 1298TIP3 OH245266 1.238 -1.510 1.894 1298TIP3 H145267 1.159 -1.546 1.937 1298TIP3 H245268 1.292 -1.477 1.968 1298TIP3 OH245269 1.207 -1.263 2.427 1298TIP3 H145270 1.265 -1.311 2.365 1298TIP3 H245271 1.212 -1.173 2.392 1298TIP3 OH245272 1.076 -0.973 2.649 1298TIP3 H145273 1.002 -0.931 2.696 1298TIP3 H245274 1.031 -1.005 2.568 1298TIP3 OH245275 1.092 -1.813 1.398 1298TIP3 H145276 1.110 -1.749 1.328 1298TIP3 H245277 1.066 -1.893 1.349 1299TIP3 OH245278 1.023 -1.686 1.995 1299TIP3 H145279 1.015 -1.781 1.979 1299TIP3 H245280 0.987 -1.677 2.085 1299TIP3 OH245281 -0.493 -1.476 2.375 1299TIP3 H145282 -0.471 -1.475 2.279 1299TIP3 H245283 -0.405 -1.502 2.412 1299TIP3 OH245284 1.085 -1.507 2.921 1299TIP3 H145285 1.159 -1.568 2.939 1299TIP3 H245286 1.130 -1.424 2.902 1299TIP3 OH245287 1.241 -1.697 3.042 1299TIP3 H145288 1.161 -1.749 3.020 1299TIP3 H245289 1.311 -1.765 3.040 1299TIP3 OH245290 1.018 -2.094 1.325 1299TIP3 H145291 1.087 -2.128 1.384 1299TIP3 H245292 0.940 -2.141 1.354 1299TIP3 OH245293 1.002 -1.941 1.819 1299TIP3 H145294 1.032 -2.034 1.825 1299TIP3 H245295 1.080 -1.899 1.780 1299TIP3 OH245296 1.035 -1.892 2.368 1299TIP3 H145297 1.131 -1.879 2.366 1299TIP3 H245298 1.019 -1.887 2.464 1299TIP3 OH245299 1.052 -1.820 2.650 1299TIP3 H145300 0.966 -1.783 2.677 1299TIP3 H245301 1.103 -1.739 2.629 1299TIP3 OH245302 -0.500 -1.943 3.024 1299TIP3 H145303 -0.407 -1.969 3.013 1299TIP3 H245304 -0.544 -2.030 3.024 1299TIP3 OH245305 1.309 -2.404 3.180 1299TIP3 H145306 1.348 -2.473 3.123 1299TIP3 H245307 1.310 -2.326 3.120 1300TIP3 OH245308 1.059 -2.225 1.823 1300TIP3 H145309 1.069 -2.257 1.915 1300TIP3 H245310 0.981 -2.276 1.794 1300TIP3 OH245311 -0.567 -1.839 2.395 1300TIP3 H145312 -0.501 -1.864 2.327 1300TIP3 H245313 -0.521 -1.764 2.434 1300TIP3 OH245314 1.245 -2.200 3.004 1300TIP3 H145315 1.158 -2.157 3.010 1300TIP3 H245316 1.231 -2.254 2.924 1300TIP3 OH245317 1.252 -2.181 1.490 1300TIP3 H145318 1.283 -2.256 1.436 1300TIP3 H245319 1.331 -2.125 1.492 1300TIP3 OH245320 -0.521 -2.203 1.810 1300TIP3 H145321 -0.615 -2.196 1.786 1300TIP3 H245322 -0.478 -2.145 1.744 1300TIP3 OH245323 1.036 -0.655 1.966 1300TIP3 H145324 1.013 -0.729 1.907 1300TIP3 H245325 0.980 -0.674 2.042 1300TIP3 OH245326 -0.513 -2.323 2.631 1300TIP3 H145327 -0.594 -2.342 2.680 1300TIP3 H245328 -0.547 -2.270 2.556 1300TIP3 OH245329 -0.316 -1.005 3.093 1300TIP3 H145330 -0.381 -1.019 3.023 1300TIP3 H245331 -0.368 -1.015 3.173 1300TIP3 OH245332 -0.032 -0.909 2.661 1300TIP3 H145333 -0.060 -0.825 2.620 1300TIP3 H245334 0.064 -0.904 2.641 1300TIP3 OH245335 0.418 -0.780 2.960 1300TIP3 H145336 0.437 -0.800 3.053 1300TIP3 H245337 0.500 -0.736 2.931 1301TIP3 OH245338 0.647 -0.634 2.883 1301TIP3 H145339 0.715 -0.698 2.856 1301TIP3 H245340 0.679 -0.607 2.971 1301TIP3 OH245341 1.132 -2.376 2.802 1301TIP3 H145342 1.052 -2.355 2.751 1301TIP3 H245343 1.153 -2.466 2.769 1301TIP3 OH245344 -0.290 -0.615 2.695 1301TIP3 H145345 -0.349 -0.556 2.645 1301TIP3 H245346 -0.333 -0.616 2.781 1301TIP3 OH245347 -0.038 -0.636 2.551 1301TIP3 H145348 -0.127 -0.619 2.589 1301TIP3 H245349 -0.037 -0.578 2.473 1301TIP3 OH245350 0.420 -0.642 2.502 1301TIP3 H145351 0.391 -0.602 2.417 1301TIP3 H245352 0.439 -0.562 2.553 1301TIP3 OH245353 0.659 -0.766 2.598 1301TIP3 H145354 0.577 -0.737 2.555 1301TIP3 H245355 0.716 -0.690 2.583 1301TIP3 OH245356 0.920 -0.596 2.614 1301TIP3 H145357 0.911 -0.503 2.586 1301TIP3 H245358 0.940 -0.639 2.529 1301TIP3 OH245359 -0.339 -0.715 2.388 1301TIP3 H145360 -0.340 -0.772 2.468 1301TIP3 H245361 -0.267 -0.760 2.338 1301TIP3 OH245362 -0.144 -0.857 2.262 1301TIP3 H145363 -0.154 -0.954 2.267 1301TIP3 H245364 -0.047 -0.846 2.269 1301TIP3 OH245365 0.133 -0.818 2.314 1301TIP3 H145366 0.159 -0.909 2.291 1301TIP3 H245367 0.148 -0.817 2.410 1302TIP3 OH245368 0.472 -2.223 2.248 1302TIP3 H145369 0.401 -2.287 2.265 1302TIP3 H245370 0.528 -2.269 2.184 1302TIP3 OH245371 0.970 -2.425 2.294 1302TIP3 H145372 1.045 -2.380 2.252 1302TIP3 H245373 0.894 -2.395 2.240 1302TIP3 OH245374 1.178 -2.316 2.082 1302TIP3 H145375 1.249 -2.356 2.029 1302TIP3 H245376 1.209 -2.223 2.090 1302TIP3 OH245377 -0.275 -2.353 1.999 1302TIP3 H145378 -0.367 -2.370 1.973 1302TIP3 H245379 -0.243 -2.443 2.016 1302TIP3 OH245380 -0.409 -2.407 1.589 1302TIP3 H145381 -0.358 -2.341 1.539 1302TIP3 H245382 -0.449 -2.352 1.658 1302TIP3 OH245383 0.166 -2.388 1.986 1302TIP3 H145384 0.252 -2.343 1.982 1302TIP3 H245385 0.143 -2.376 2.079 1302TIP3 OH245386 0.719 -2.369 2.134 1302TIP3 H145387 0.741 -2.384 2.041 1302TIP3 H245388 0.676 -2.454 2.158 1302TIP3 OH245389 0.830 -2.371 1.732 1302TIP3 H145390 0.750 -2.316 1.722 1302TIP3 H245391 0.792 -2.459 1.746 1302TIP3 OH245392 -0.243 -2.230 1.436 1302TIP3 H145393 -0.176 -2.269 1.378 1302TIP3 H245394 -0.186 -2.181 1.499 1302TIP3 OH245395 0.320 -2.209 1.653 1302TIP3 H145396 0.301 -2.267 1.729 1302TIP3 H245397 0.306 -2.122 1.695 1303TIP3 OH245398 -0.314 -2.333 2.961 1303TIP3 H145399 -0.349 -2.417 2.995 1303TIP3 H245400 -0.219 -2.343 2.980 1303TIP3 OH245401 -0.070 -2.392 3.133 1303TIP3 H145402 0.012 -2.426 3.090 1303TIP3 H245403 -0.106 -2.473 3.171 1303TIP3 OH245404 0.740 -2.484 3.147 1303TIP3 H145405 0.744 -2.524 3.236 1303TIP3 H245406 0.833 -2.486 3.120 1303TIP3 OH245407 1.077 -0.848 3.016 1303TIP3 H145408 1.004 -0.868 2.954 1303TIP3 H245409 1.058 -0.754 3.036 1303TIP3 OH245410 2.496 -1.478 2.030 1303TIP3 H145411 2.497 -1.381 2.035 1303TIP3 H245412 2.424 -1.494 1.967 1303TIP3 OH245413 2.376 -1.537 2.337 1303TIP3 H145414 2.382 -1.591 2.418 1303TIP3 H245415 2.357 -1.604 2.270 1303TIP3 OH245416 1.634 -1.573 2.498 1303TIP3 H145417 1.626 -1.649 2.560 1303TIP3 H245418 1.700 -1.519 2.544 1303TIP3 OH245419 2.755 -1.260 2.167 1303TIP3 H145420 2.714 -1.332 2.216 1303TIP3 H245421 2.774 -1.197 2.238 1303TIP3 OH245422 1.693 -1.121 2.351 1303TIP3 H145423 1.671 -1.210 2.318 1303TIP3 H245424 1.787 -1.133 2.374 1303TIP3 OH245425 1.386 -1.772 1.903 1303TIP3 H145426 1.350 -1.681 1.906 1303TIP3 H245427 1.321 -1.815 1.846 1304TIP3 OH245428 1.461 -1.522 2.084 1304TIP3 H145429 1.474 -1.611 2.122 1304TIP3 H245430 1.539 -1.512 2.029 1304TIP3 OH245431 2.461 -0.725 2.227 1304TIP3 H145432 2.518 -0.799 2.199 1304TIP3 H245433 2.427 -0.758 2.311 1304TIP3 OH245434 2.233 -1.286 2.389 1304TIP3 H145435 2.267 -1.362 2.338 1304TIP3 H245436 2.311 -1.270 2.445 1304TIP3 OH245437 3.096 -2.133 2.455 1304TIP3 H145438 3.119 -2.078 2.531 1304TIP3 H245439 3.162 -2.102 2.390 1304TIP3 OH245440 2.561 -1.850 2.443 1304TIP3 H145441 2.573 -1.946 2.454 1304TIP3 H245442 2.549 -1.844 2.346 1304TIP3 OH245443 1.858 -2.050 2.152 1304TIP3 H145444 1.865 -1.966 2.105 1304TIP3 H245445 1.824 -2.107 2.080 1304TIP3 OH245446 2.642 -2.032 1.986 1304TIP3 H145447 2.701 -2.076 2.051 1304TIP3 H245448 2.708 -1.990 1.929 1304TIP3 OH245449 1.530 -1.774 2.203 1304TIP3 H145450 1.587 -1.829 2.259 1304TIP3 H245451 1.531 -1.824 2.119 1304TIP3 OH245452 2.064 -1.627 2.115 1304TIP3 H145453 2.131 -1.674 2.169 1304TIP3 H245454 1.996 -1.696 2.105 1304TIP3 OH245455 3.174 -1.989 2.707 1304TIP3 H145456 3.104 -1.926 2.682 1304TIP3 H245457 3.145 -2.010 2.797 1305TIP3 OH245458 1.739 -2.172 2.568 1305TIP3 H145459 1.696 -2.123 2.496 1305TIP3 H245460 1.673 -2.159 2.639 1305TIP3 OH245461 2.479 -1.198 1.897 1305TIP3 H145462 2.464 -1.210 1.801 1305TIP3 H245463 2.437 -1.111 1.912 1305TIP3 OH245464 2.030 -1.383 2.579 1305TIP3 H145465 1.957 -1.324 2.607 1305TIP3 H245466 2.093 -1.320 2.539 1305TIP3 OH245467 2.829 -2.111 2.188 1305TIP3 H145468 2.785 -2.170 2.250 1305TIP3 H245469 2.877 -2.050 2.247 1305TIP3 OH245470 1.697 -1.969 2.363 1305TIP3 H145471 1.762 -1.911 2.410 1305TIP3 H245472 1.755 -2.006 2.293 1305TIP3 OH245473 1.829 -1.198 2.652 1305TIP3 H145474 1.826 -1.105 2.622 1305TIP3 H245475 1.743 -1.204 2.697 1305TIP3 OH245476 2.807 -1.080 2.417 1305TIP3 H145477 2.709 -1.072 2.422 1305TIP3 H245478 2.830 -0.993 2.381 1305TIP3 OH245479 2.840 -2.188 2.573 1305TIP3 H145480 2.761 -2.152 2.527 1305TIP3 H245481 2.910 -2.174 2.507 1305TIP3 OH245482 2.152 -2.423 2.278 1305TIP3 H145483 2.129 -2.518 2.272 1305TIP3 H245484 2.070 -2.385 2.314 1305TIP3 OH245485 2.655 -0.890 2.095 1305TIP3 H145486 2.681 -0.967 2.043 1305TIP3 H245487 2.663 -0.818 2.032 1306TIP3 OH245488 2.796 -1.093 1.925 1306TIP3 H145489 2.750 -1.140 1.854 1306TIP3 H245490 2.783 -1.155 1.999 1306TIP3 OH245491 2.935 -1.219 2.786 1306TIP3 H145492 2.924 -1.285 2.715 1306TIP3 H245493 2.947 -1.136 2.736 1306TIP3 OH245494 2.346 -1.523 1.753 1306TIP3 H145495 2.294 -1.457 1.704 1306TIP3 H245496 2.426 -1.525 1.697 1306TIP3 OH245497 2.391 -1.732 1.484 1306TIP3 H145498 2.459 -1.673 1.519 1306TIP3 H245499 2.431 -1.758 1.401 1306TIP3 OH245500 3.114 -1.600 2.578 1306TIP3 H145501 3.039 -1.538 2.589 1306TIP3 H245502 3.157 -1.563 2.498 1306TIP3 OH245503 2.717 -1.526 1.867 1306TIP3 H145504 2.646 -1.506 1.932 1306TIP3 H245505 2.771 -1.589 1.918 1306TIP3 OH245506 2.697 -1.676 2.747 1306TIP3 H145507 2.701 -1.595 2.801 1306TIP3 H245508 2.631 -1.647 2.681 1306TIP3 OH245509 2.005 -1.115 2.319 1306TIP3 H145510 2.000 -1.136 2.225 1306TIP3 H245511 2.087 -1.159 2.347 1306TIP3 OH245512 1.935 -1.566 2.386 1306TIP3 H145513 2.000 -1.556 2.316 1306TIP3 H245514 1.969 -1.505 2.454 1306TIP3 OH245515 2.529 -1.021 2.448 1306TIP3 H145516 2.527 -0.953 2.518 1306TIP3 H245517 2.502 -1.102 2.495 1307TIP3 OH245518 2.015 -1.138 2.872 1307TIP3 H145519 1.964 -1.073 2.923 1307TIP3 H245520 1.950 -1.165 2.805 1307TIP3 OH245521 2.606 -1.586 1.614 1307TIP3 H145522 2.658 -1.552 1.689 1307TIP3 H245523 2.646 -1.536 1.538 1307TIP3 OH245524 1.708 -1.498 2.783 1307TIP3 H145525 1.713 -1.442 2.863 1307TIP3 H245526 1.612 -1.513 2.777 1307TIP3 OH245527 2.359 -0.924 1.967 1307TIP3 H145528 2.399 -0.884 2.044 1307TIP3 H245529 2.312 -0.849 1.927 1307TIP3 OH245530 1.825 -0.921 2.955 1307TIP3 H145531 1.813 -0.918 2.859 1307TIP3 H245532 1.737 -0.947 2.988 1307TIP3 OH245533 2.953 -2.411 1.561 1307TIP3 H145534 2.864 -2.402 1.598 1307TIP3 H245535 2.986 -2.320 1.565 1307TIP3 OH245536 3.063 -0.989 1.462 1307TIP3 H145537 3.092 -0.896 1.461 1307TIP3 H245538 3.146 -1.039 1.456 1307TIP3 OH245539 1.372 -1.309 2.667 1307TIP3 H145540 1.326 -1.307 2.581 1307TIP3 H245541 1.383 -1.405 2.682 1307TIP3 OH245542 1.378 -1.014 2.359 1307TIP3 H145543 1.469 -1.045 2.366 1307TIP3 H245544 1.370 -0.957 2.437 1307TIP3 OH245545 3.213 -0.957 2.934 1307TIP3 H145546 3.203 -1.053 2.922 1307TIP3 H245547 3.124 -0.932 2.966 1308TIP3 OH245548 2.279 -1.033 2.816 1308TIP3 H145549 2.286 -0.952 2.870 1308TIP3 H245550 2.189 -1.064 2.840 1308TIP3 OH245551 2.299 -0.649 1.827 1308TIP3 H145552 2.298 -0.657 1.729 1308TIP3 H245553 2.325 -0.557 1.840 1308TIP3 OH245554 1.642 -0.692 1.980 1308TIP3 H145555 1.687 -0.740 2.052 1308TIP3 H245556 1.590 -0.769 1.945 1308TIP3 OH245557 2.648 -0.725 1.492 1308TIP3 H145558 2.678 -0.800 1.437 1308TIP3 H245559 2.633 -0.762 1.578 1308TIP3 OH245560 2.598 -0.741 1.845 1308TIP3 H145561 2.515 -0.708 1.806 1308TIP3 H245562 2.593 -0.834 1.824 1308TIP3 OH245563 2.892 -1.821 2.979 1308TIP3 H145564 2.845 -1.787 2.902 1308TIP3 H245565 2.908 -1.914 2.953 1308TIP3 OH245566 1.590 -1.155 2.790 1308TIP3 H145567 1.616 -1.201 2.872 1308TIP3 H245568 1.515 -1.209 2.758 1308TIP3 OH245569 1.910 -2.307 2.368 1308TIP3 H145570 1.828 -2.315 2.316 1308TIP3 H245571 1.884 -2.236 2.428 1308TIP3 OH245572 2.346 -2.351 2.732 1308TIP3 H145573 2.398 -2.403 2.796 1308TIP3 H245574 2.256 -2.384 2.745 1308TIP3 OH245575 2.657 -1.975 2.778 1308TIP3 H145576 2.609 -1.992 2.861 1308TIP3 H245577 2.659 -1.878 2.772 1309TIP3 OH245578 2.773 -1.493 1.411 1309TIP3 H145579 2.733 -1.492 1.322 1309TIP3 H245580 2.855 -1.444 1.397 1309TIP3 OH245581 2.330 -2.104 1.460 1309TIP3 H145582 2.277 -2.114 1.540 1309TIP3 H245583 2.284 -2.166 1.400 1309TIP3 OH245584 1.895 -1.830 2.508 1309TIP3 H145585 1.839 -1.821 2.587 1309TIP3 H245586 1.901 -1.737 2.476 1309TIP3 OH245587 1.882 -1.793 1.972 1309TIP3 H145588 1.789 -1.821 1.968 1309TIP3 H245589 1.918 -1.843 1.895 1309TIP3 OH245590 2.451 -1.760 1.875 1309TIP3 H145591 2.407 -1.683 1.833 1309TIP3 H245592 2.518 -1.781 1.808 1309TIP3 OH245593 2.368 -1.745 3.011 1309TIP3 H145594 2.319 -1.821 3.046 1309TIP3 H245595 2.457 -1.758 3.050 1309TIP3 OH245596 2.532 -1.825 2.153 1309TIP3 H145597 2.505 -1.769 2.077 1309TIP3 H245598 2.555 -1.907 2.105 1309TIP3 OH245599 1.629 -1.812 2.691 1309TIP3 H145600 1.658 -1.782 2.778 1309TIP3 H245601 1.594 -1.900 2.711 1309TIP3 OH245602 1.972 -2.055 1.350 1309TIP3 H145603 1.932 -2.093 1.431 1309TIP3 H245604 1.894 -2.035 1.297 1309TIP3 OH245605 1.312 -2.069 2.059 1309TIP3 H145606 1.375 -2.072 2.133 1309TIP3 H245607 1.363 -2.105 1.984 1310TIP3 OH245608 1.470 -2.017 1.632 1310TIP3 H145609 1.521 -1.972 1.561 1310TIP3 H245610 1.399 -1.952 1.646 1310TIP3 OH245611 2.445 -1.658 2.597 1310TIP3 H145612 2.490 -1.731 2.548 1310TIP3 H245613 2.413 -1.705 2.675 1310TIP3 OH245614 2.166 -2.062 2.100 1310TIP3 H145615 2.072 -2.072 2.122 1310TIP3 H245616 2.208 -2.083 2.185 1310TIP3 OH245617 1.624 -1.938 1.965 1310TIP3 H145618 1.541 -1.910 1.923 1310TIP3 H245619 1.648 -2.018 1.916 1310TIP3 OH245620 1.990 -1.892 1.740 1310TIP3 H145621 2.086 -1.902 1.731 1310TIP3 H245622 1.962 -1.856 1.654 1310TIP3 OH245623 2.605 -2.148 2.399 1310TIP3 H145624 2.544 -2.148 2.477 1310TIP3 H245625 2.545 -2.182 2.331 1310TIP3 OH245626 1.844 -1.784 1.516 1310TIP3 H145627 1.772 -1.805 1.455 1310TIP3 H245628 1.916 -1.762 1.454 1310TIP3 OH245629 2.905 -0.571 3.069 1310TIP3 H145630 2.930 -0.526 2.987 1310TIP3 H245631 2.974 -0.542 3.130 1310TIP3 OH245632 1.697 -1.309 3.010 1310TIP3 H145633 1.764 -1.300 3.081 1310TIP3 H245634 1.616 -1.312 3.065 1310TIP3 OH245635 2.259 -1.799 2.274 1310TIP3 H145636 2.332 -1.844 2.230 1310TIP3 H245637 2.242 -1.859 2.350 1311TIP3 OH245638 1.801 -2.167 1.903 1311TIP3 H145639 1.741 -2.243 1.913 1311TIP3 H245640 1.877 -2.207 1.858 1311TIP3 OH245641 2.168 -1.957 2.501 1311TIP3 H145642 2.088 -1.904 2.510 1311TIP3 H245643 2.217 -1.937 2.584 1311TIP3 OH245644 2.170 -1.320 1.686 1311TIP3 H145645 2.090 -1.363 1.652 1311TIP3 H245646 2.152 -1.307 1.780 1311TIP3 OH245647 2.902 -1.408 2.569 1311TIP3 H145648 2.950 -1.353 2.503 1311TIP3 H245649 2.816 -1.420 2.526 1311TIP3 OH245650 2.595 -2.039 1.475 1311TIP3 H145651 2.497 -2.042 1.468 1311TIP3 H245652 2.610 -1.964 1.536 1311TIP3 OH245653 2.343 -1.322 2.828 1311TIP3 H145654 2.315 -1.356 2.914 1311TIP3 H245655 2.312 -1.231 2.830 1311TIP3 OH245656 2.662 -1.858 1.683 1311TIP3 H145657 2.753 -1.871 1.717 1311TIP3 H245658 2.666 -1.770 1.640 1311TIP3 OH245659 1.709 -1.393 2.255 1311TIP3 H145660 1.790 -1.408 2.206 1311TIP3 H245661 1.703 -1.474 2.309 1311TIP3 OH245662 2.428 -1.195 1.615 1311TIP3 H145663 2.391 -1.105 1.611 1311TIP3 H245664 2.352 -1.246 1.581 1311TIP3 OH245665 1.420 -1.558 2.805 1311TIP3 H145666 1.434 -1.602 2.891 1311TIP3 H245667 1.357 -1.617 2.760 1312TIP3 OH245668 2.117 -1.605 3.002 1312TIP3 H145669 2.083 -1.633 2.915 1312TIP3 H245670 2.209 -1.635 2.996 1312TIP3 OH245671 2.570 -1.060 2.775 1312TIP3 H145672 2.473 -1.055 2.770 1312TIP3 H245673 2.586 -1.039 2.868 1312TIP3 OH245674 3.123 -1.861 1.653 1312TIP3 H145675 3.068 -1.878 1.575 1312TIP3 H245676 3.136 -1.765 1.640 1312TIP3 OH245677 3.168 -1.254 2.932 1312TIP3 H145678 3.073 -1.234 2.916 1312TIP3 H245679 3.199 -1.272 2.842 1312TIP3 OH245680 2.668 -1.464 2.400 1312TIP3 H145681 2.575 -1.479 2.377 1312TIP3 H245682 2.711 -1.537 2.351 1312TIP3 OH245683 1.929 -1.060 2.019 1312TIP3 H145684 1.974 -0.980 1.987 1312TIP3 H245685 1.845 -1.051 1.970 1312TIP3 OH245686 1.520 -1.571 1.485 1312TIP3 H145687 1.586 -1.505 1.512 1312TIP3 H245688 1.439 -1.521 1.497 1312TIP3 OH245689 2.066 -1.326 1.964 1312TIP3 H145690 2.092 -1.232 1.962 1312TIP3 H245691 2.000 -1.320 2.033 1312TIP3 OH245692 2.131 -0.862 2.601 1312TIP3 H145693 2.186 -0.787 2.574 1312TIP3 H245694 2.191 -0.910 2.659 1312TIP3 OH245695 1.968 -0.769 1.933 1312TIP3 H145696 1.875 -0.755 1.914 1312TIP3 H245697 2.000 -0.678 1.946 1313TIP3 OH245698 2.471 -1.287 2.559 1313TIP3 H145699 2.441 -1.314 2.648 1313TIP3 H245700 2.545 -1.347 2.543 1313TIP3 OH245701 2.700 -1.161 1.453 1313TIP3 H145702 2.724 -1.210 1.533 1313TIP3 H245703 2.603 -1.168 1.456 1313TIP3 OH245704 2.767 -0.831 2.796 1313TIP3 H145705 2.690 -0.878 2.758 1313TIP3 H245706 2.773 -0.751 2.743 1313TIP3 OH245707 3.165 -0.727 1.509 1313TIP3 H145708 3.229 -0.663 1.475 1313TIP3 H245709 3.086 -0.670 1.512 1313TIP3 OH245710 1.550 -2.092 2.766 1313TIP3 H145711 1.459 -2.066 2.741 1313TIP3 H245712 1.535 -2.179 2.807 1313TIP3 OH245713 2.786 -1.291 1.692 1313TIP3 H145714 2.763 -1.367 1.748 1313TIP3 H245715 2.883 -1.287 1.699 1313TIP3 OH245716 1.529 -0.915 2.604 1313TIP3 H145717 1.555 -1.007 2.620 1313TIP3 H245718 1.548 -0.876 2.690 1313TIP3 OH245719 2.122 -1.049 1.306 1313TIP3 H145720 2.166 -1.113 1.246 1313TIP3 H245721 2.058 -1.105 1.352 1313TIP3 OH245722 1.973 -1.086 1.661 1313TIP3 H145723 2.033 -1.153 1.629 1313TIP3 H245724 1.969 -1.024 1.587 1313TIP3 OH245725 1.687 -1.356 1.652 1313TIP3 H145726 1.597 -1.322 1.665 1313TIP3 H245727 1.716 -1.286 1.591 1314TIP3 OH245728 2.449 -2.107 2.622 1314TIP3 H145729 2.513 -2.080 2.690 1314TIP3 H245730 2.401 -2.180 2.665 1314TIP3 OH245731 2.510 -2.164 1.748 1314TIP3 H145732 2.525 -2.112 1.668 1314TIP3 H245733 2.557 -2.112 1.815 1314TIP3 OH245734 2.297 -0.944 1.643 1314TIP3 H145735 2.209 -0.906 1.652 1314TIP3 H245736 2.333 -0.887 1.572 1314TIP3 OH245737 2.252 -1.965 1.842 1314TIP3 H145738 2.329 -1.906 1.855 1314TIP3 H245739 2.224 -1.982 1.934 1314TIP3 OH245740 2.289 -1.874 2.757 1314TIP3 H145741 2.294 -1.823 2.840 1314TIP3 H245742 2.343 -1.951 2.779 1314TIP3 OH245743 2.311 -2.264 1.936 1314TIP3 H145744 2.292 -2.194 2.002 1314TIP3 H245745 2.383 -2.222 1.885 1314TIP3 OH245746 2.009 -0.780 1.608 1314TIP3 H145747 2.063 -0.703 1.590 1314TIP3 H245748 2.003 -0.784 1.704 1314TIP3 OH245749 1.883 -2.165 1.589 1314TIP3 H145750 1.882 -2.089 1.649 1314TIP3 H245751 1.965 -2.210 1.615 1314TIP3 OH245752 2.932 -2.065 2.846 1314TIP3 H145753 2.838 -2.084 2.850 1314TIP3 H245754 2.953 -2.111 2.764 1314TIP3 OH245755 2.768 -1.690 2.247 1314TIP3 H145756 2.684 -1.734 2.223 1314TIP3 H245757 2.816 -1.760 2.296 1315TIP3 OH245758 1.533 -1.855 1.415 1315TIP3 H145759 1.542 -1.759 1.426 1315TIP3 H245760 1.467 -1.860 1.343 1315TIP3 OH245761 2.871 -0.804 2.382 1315TIP3 H145762 2.852 -0.719 2.338 1315TIP3 H245763 2.960 -0.787 2.416 1315TIP3 OH245764 1.632 -2.353 2.286 1315TIP3 H145765 1.613 -2.355 2.190 1315TIP3 H245766 1.597 -2.439 2.316 1315TIP3 OH245767 1.532 -0.939 1.889 1315TIP3 H145768 1.437 -0.959 1.888 1315TIP3 H245769 1.557 -0.966 1.799 1315TIP3 OH245770 1.461 -0.712 3.027 1315TIP3 H145771 1.518 -0.740 3.101 1315TIP3 H245772 1.421 -0.798 3.000 1315TIP3 OH245773 1.929 -0.806 3.206 1315TIP3 H145774 1.998 -0.870 3.228 1315TIP3 H245775 1.906 -0.833 3.116 1315TIP3 OH245776 2.341 -0.883 1.346 1315TIP3 H145777 2.259 -0.936 1.332 1315TIP3 H245778 2.397 -0.926 1.278 1315TIP3 OH245779 2.579 -0.980 3.063 1315TIP3 H145780 2.538 -1.060 3.102 1315TIP3 H245781 2.646 -0.957 3.130 1315TIP3 OH245782 2.801 -0.894 1.347 1315TIP3 H145783 2.827 -0.978 1.386 1315TIP3 H245784 2.868 -0.875 1.280 1315TIP3 OH245785 1.456 -1.349 3.140 1315TIP3 H145786 1.464 -1.440 3.107 1315TIP3 H245787 1.378 -1.319 3.089 1316TIP3 OH245788 1.935 -1.309 1.369 1316TIP3 H145789 1.871 -1.379 1.381 1316TIP3 H245790 1.945 -1.307 1.273 1316TIP3 OH245791 2.119 -1.330 3.074 1316TIP3 H145792 2.087 -1.298 2.988 1316TIP3 H245793 2.126 -1.427 3.060 1316TIP3 OH245794 2.655 -1.369 2.812 1316TIP3 H145795 2.733 -1.313 2.796 1316TIP3 H245796 2.585 -1.303 2.813 1316TIP3 OH245797 1.542 -1.635 3.057 1316TIP3 H145798 1.615 -1.700 3.058 1316TIP3 H245799 1.536 -1.614 3.152 1316TIP3 OH245800 1.984 -1.536 1.630 1316TIP3 H145801 1.892 -1.560 1.613 1316TIP3 H245802 2.019 -1.550 1.539 1316TIP3 OH245803 1.906 -1.724 2.799 1316TIP3 H145804 1.854 -1.645 2.821 1316TIP3 H245805 1.973 -1.687 2.740 1316TIP3 OH245806 2.078 -1.693 1.388 1316TIP3 H145807 2.073 -1.669 1.293 1316TIP3 H245808 2.174 -1.692 1.402 1316TIP3 OH245809 2.438 -1.452 3.155 1316TIP3 H145810 2.529 -1.471 3.127 1316TIP3 H245811 2.412 -1.536 3.196 1316TIP3 OH245812 3.045 -1.446 1.328 1316TIP3 H145813 3.011 -1.483 1.245 1316TIP3 H245814 3.023 -1.351 1.315 1316TIP3 OH245815 1.967 -1.993 2.915 1316TIP3 H145816 1.973 -2.059 2.844 1316TIP3 H245817 1.945 -1.913 2.864 1317TIP3 OH245818 2.000 -2.146 2.660 1317TIP3 H145819 2.051 -2.095 2.594 1317TIP3 H245820 1.909 -2.144 2.624 1317TIP3 OH245821 2.153 -1.602 2.699 1317TIP3 H145822 2.238 -1.612 2.654 1317TIP3 H245823 2.125 -1.514 2.670 1317TIP3 OH245824 2.614 -1.810 3.179 1317TIP3 H145825 2.636 -1.903 3.191 1317TIP3 H245826 2.702 -1.770 3.173 1317TIP3 OH245827 2.709 -1.529 3.027 1317TIP3 H145828 2.677 -1.468 2.958 1317TIP3 H245829 2.798 -1.550 2.991 1317TIP3 OH245830 1.788 -1.809 3.095 1317TIP3 H145831 1.734 -1.890 3.095 1317TIP3 H245832 1.869 -1.839 3.050 1317TIP3 OH245833 2.072 -2.414 2.696 1317TIP3 H145834 2.055 -2.319 2.679 1317TIP3 H245835 2.002 -2.455 2.641 1317TIP3 OH245836 2.198 -1.956 3.075 1317TIP3 H145837 2.163 -1.978 3.163 1317TIP3 H245838 2.118 -1.976 3.020 1317TIP3 OH245839 2.452 -2.052 2.961 1317TIP3 H145840 2.364 -2.048 3.003 1317TIP3 H245841 2.500 -2.114 3.020 1317TIP3 OH245842 2.629 -2.201 3.132 1317TIP3 H145843 2.626 -2.297 3.148 1317TIP3 H245844 2.622 -2.162 3.221 1317TIP3 OH245845 1.656 -2.063 3.078 1317TIP3 H145846 1.645 -2.133 3.012 1317TIP3 H245847 1.631 -2.110 3.160 1318TIP3 OH245848 2.056 -2.466 2.977 1318TIP3 H145849 2.117 -2.541 2.981 1318TIP3 H245850 2.052 -2.450 2.881 1318TIP3 OH245851 2.149 -2.280 3.164 1318TIP3 H145852 2.119 -2.338 3.091 1318TIP3 H245853 2.081 -2.210 3.164 1318TIP3 OH245854 1.343 -0.615 1.915 1318TIP3 H145855 1.262 -0.646 1.871 1318TIP3 H245856 1.347 -0.682 1.988 1318TIP3 OH245857 1.385 -0.800 2.134 1318TIP3 H145858 1.359 -0.892 2.148 1318TIP3 H245859 1.415 -0.778 2.223 1318TIP3 OH245860 3.145 -0.682 2.435 1318TIP3 H145861 3.154 -0.691 2.531 1318TIP3 H245862 3.235 -0.661 2.408 1318TIP3 OH245863 3.132 -0.742 2.722 1318TIP3 H145864 3.078 -0.817 2.692 1318TIP3 H245865 3.185 -0.786 2.790 1318TIP3 OH245866 2.931 -1.199 3.153 1318TIP3 H145867 2.843 -1.193 3.194 1318TIP3 H245868 2.977 -1.120 3.187 1318TIP3 OH245869 3.084 -1.304 1.732 1318TIP3 H145870 3.175 -1.281 1.755 1318TIP3 H245871 3.064 -1.372 1.799 1318TIP3 OH245872 3.117 -1.512 1.924 1318TIP3 H145873 3.047 -1.569 1.963 1318TIP3 H245874 3.183 -1.506 1.996 1318TIP3 OH245875 3.089 -1.265 2.422 1318TIP3 H145876 3.155 -1.312 2.368 1318TIP3 H245877 3.100 -1.173 2.393 1319TIP3 OH245878 2.961 -0.969 2.643 1319TIP3 H145879 2.890 -0.932 2.698 1319TIP3 H245880 2.912 -1.009 2.569 1319TIP3 OH245881 3.154 -1.564 1.579 1319TIP3 H145882 3.098 -1.543 1.503 1319TIP3 H245883 3.131 -1.491 1.639 1319TIP3 OH245884 2.986 -1.817 1.407 1319TIP3 H145885 2.983 -1.753 1.335 1319TIP3 H245886 2.948 -1.897 1.365 1319TIP3 OH245887 2.914 -1.700 2.008 1319TIP3 H145888 2.903 -1.795 1.990 1319TIP3 H245889 2.872 -1.691 2.096 1319TIP3 OH245890 1.397 -1.479 2.374 1319TIP3 H145891 1.418 -1.475 2.279 1319TIP3 H245892 1.485 -1.502 2.412 1319TIP3 OH245893 2.975 -1.510 2.922 1319TIP3 H145894 3.046 -1.575 2.939 1319TIP3 H245895 3.023 -1.428 2.908 1319TIP3 OH245896 3.133 -1.708 3.031 1319TIP3 H145897 3.049 -1.757 3.017 1319TIP3 H245898 3.196 -1.783 3.037 1319TIP3 OH245899 2.916 -2.077 1.329 1319TIP3 H145900 2.970 -2.129 1.391 1319TIP3 H245901 2.834 -2.129 1.320 1319TIP3 OH245902 2.900 -1.950 1.827 1319TIP3 H145903 2.921 -2.046 1.830 1319TIP3 H245904 2.979 -1.915 1.783 1319TIP3 OH245905 2.921 -1.889 2.368 1319TIP3 H145906 3.019 -1.882 2.369 1319TIP3 H245907 2.904 -1.890 2.464 1320TIP3 OH245908 2.937 -1.819 2.646 1320TIP3 H145909 2.851 -1.784 2.676 1320TIP3 H245910 2.988 -1.737 2.630 1320TIP3 OH245911 1.387 -1.943 3.017 1320TIP3 H145912 1.480 -1.970 3.021 1320TIP3 H245913 1.342 -2.029 3.024 1320TIP3 OH245914 2.945 -2.230 1.822 1320TIP3 H145915 2.953 -2.264 1.913 1320TIP3 H245916 2.865 -2.278 1.792 1320TIP3 OH245917 1.464 -2.110 2.296 1320TIP3 H145918 1.508 -2.196 2.305 1320TIP3 H245919 1.531 -2.050 2.334 1320TIP3 OH245920 1.320 -1.844 2.404 1320TIP3 H145921 1.373 -1.845 2.323 1320TIP3 H245922 1.353 -1.764 2.447 1320TIP3 OH245923 3.142 -2.182 1.491 1320TIP3 H145924 3.171 -2.262 1.443 1320TIP3 H245925 3.223 -2.130 1.496 1320TIP3 OH245926 1.367 -2.208 1.807 1320TIP3 H145927 1.272 -2.204 1.787 1320TIP3 H245928 1.406 -2.147 1.741 1320TIP3 OH245929 2.887 -0.636 1.989 1320TIP3 H145930 2.859 -0.718 1.947 1320TIP3 H245931 2.895 -0.659 2.082 1320TIP3 OH245932 1.372 -2.320 2.622 1320TIP3 H145933 1.300 -2.347 2.682 1320TIP3 H245934 1.322 -2.267 2.557 1320TIP3 OH245935 1.570 -1.010 3.089 1320TIP3 H145936 1.497 -1.013 3.026 1320TIP3 H245937 1.525 -1.015 3.174 1321TIP3 OH245938 1.855 -0.914 2.658 1321TIP3 H145939 1.822 -0.829 2.623 1321TIP3 H245940 1.950 -0.903 2.640 1321TIP3 OH245941 2.306 -0.782 2.958 1321TIP3 H145942 2.317 -0.799 3.053 1321TIP3 H245943 2.390 -0.737 2.936 1321TIP3 OH245944 2.537 -0.634 2.881 1321TIP3 H145945 2.603 -0.703 2.863 1321TIP3 H245946 2.565 -0.605 2.970 1321TIP3 OH245947 1.594 -0.615 2.691 1321TIP3 H145948 1.530 -0.555 2.648 1321TIP3 H245949 1.558 -0.615 2.781 1321TIP3 OH245950 1.845 -0.637 2.550 1321TIP3 H145951 1.757 -0.623 2.591 1321TIP3 H245952 1.846 -0.570 2.480 1321TIP3 OH245953 2.317 -0.640 2.501 1321TIP3 H145954 2.276 -0.596 2.425 1321TIP3 H245955 2.322 -0.566 2.565 1321TIP3 OH245956 2.550 -0.768 2.592 1321TIP3 H145957 2.464 -0.734 2.560 1321TIP3 H245958 2.602 -0.686 2.595 1321TIP3 OH245959 2.806 -0.594 2.614 1321TIP3 H145960 2.795 -0.500 2.591 1321TIP3 H245961 2.828 -0.632 2.527 1321TIP3 OH245962 1.556 -0.727 2.386 1321TIP3 H145963 1.550 -0.780 2.468 1321TIP3 H245964 1.625 -0.777 2.337 1321TIP3 OH245965 1.747 -0.857 2.234 1321TIP3 H145966 1.733 -0.953 2.248 1321TIP3 H245967 1.841 -0.848 2.257 1322TIP3 OH245968 2.030 -0.812 2.318 1322TIP3 H145969 2.046 -0.905 2.293 1322TIP3 H245970 2.032 -0.820 2.415 1322TIP3 OH245971 2.359 -2.226 2.247 1322TIP3 H145972 2.291 -2.295 2.263 1322TIP3 H245973 2.420 -2.273 2.188 1322TIP3 OH245974 2.856 -2.426 2.293 1322TIP3 H145975 2.931 -2.379 2.252 1322TIP3 H245976 2.781 -2.396 2.239 1322TIP3 OH245977 3.064 -2.314 2.081 1322TIP3 H145978 3.135 -2.356 2.029 1322TIP3 H245979 3.095 -2.223 2.090 1322TIP3 OH245980 1.596 -2.356 2.004 1322TIP3 H145981 1.510 -2.367 1.959 1322TIP3 H245982 1.637 -2.443 1.988 1322TIP3 OH245983 1.478 -2.407 1.591 1322TIP3 H145984 1.528 -2.341 1.538 1322TIP3 H245985 1.435 -2.351 1.657 1322TIP3 OH245986 2.043 -2.372 1.991 1322TIP3 H145987 2.135 -2.344 1.978 1322TIP3 H245988 2.040 -2.383 2.087 1322TIP3 OH245989 2.602 -2.368 2.132 1322TIP3 H145990 2.627 -2.386 2.040 1322TIP3 H245991 2.563 -2.454 2.158 1322TIP3 OH245992 2.713 -2.368 1.731 1322TIP3 H145993 2.630 -2.318 1.717 1322TIP3 H245994 2.678 -2.458 1.744 1322TIP3 OH245995 1.645 -2.229 1.440 1322TIP3 H145996 1.706 -2.275 1.380 1322TIP3 H245997 1.707 -2.191 1.504 1323TIP3 OH245998 2.156 -2.205 1.698 1323TIP3 H145999 2.191 -2.264 1.766 1323TIP3 H246000 2.180 -2.119 1.735 1323TIP3 OH246001 2.332 -0.673 1.551 1323TIP3 H146002 2.408 -0.615 1.530 1323TIP3 H246003 2.318 -0.715 1.464 1323TIP3 OH246004 3.018 -0.793 1.760 1323TIP3 H146005 2.974 -0.839 1.687 1323TIP3 H246006 3.001 -0.701 1.732 1323TIP3 OH246007 1.575 -2.332 2.957 1323TIP3 H146008 1.535 -2.413 2.992 1323TIP3 H246009 1.667 -2.344 2.983 1323TIP3 OH246010 1.814 -2.393 3.131 1323TIP3 H146011 1.896 -2.427 3.090 1323TIP3 H246012 1.778 -2.473 3.171 1323TIP3 OH246013 2.655 -2.481 3.140 1323TIP3 H146014 2.657 -2.520 3.230 1323TIP3 H246015 2.749 -2.475 3.119 1323TIP3 OH246016 2.966 -0.846 3.012 1323TIP3 H146017 2.889 -0.869 2.957 1323TIP3 H246018 2.944 -0.755 3.039 1323TIP3 OH246019 4.206 -1.561 2.335 1323TIP3 H146020 4.280 -1.549 2.397 1323TIP3 H246021 4.254 -1.576 2.253 1323TIP3 OH246022 3.533 -1.571 2.495 1323TIP3 H146023 3.518 -1.647 2.553 1323TIP3 H246024 3.585 -1.514 2.555 1323TIP3 OH246025 3.580 -1.120 2.343 1323TIP3 H146026 3.561 -1.212 2.319 1323TIP3 H246027 3.669 -1.130 2.382 1324TIP3 OH246028 3.289 -1.771 1.894 1324TIP3 H146029 3.238 -1.689 1.901 1324TIP3 H246030 3.220 -1.832 1.862 1324TIP3 OH246031 3.358 -1.529 2.081 1324TIP3 H146032 3.370 -1.615 2.127 1324TIP3 H246033 3.440 -1.522 2.033 1324TIP3 OH246034 4.123 -1.286 2.399 1324TIP3 H146035 4.156 -1.364 2.351 1324TIP3 H246036 4.201 -1.260 2.450 1324TIP3 OH246037 3.748 -2.036 2.141 1324TIP3 H146038 3.717 -1.960 2.090 1324TIP3 H246039 3.720 -2.107 2.082 1324TIP3 OH246040 3.417 -1.777 2.200 1324TIP3 H146041 3.472 -1.832 2.258 1324TIP3 H246042 3.410 -1.832 2.120 1324TIP3 OH246043 3.626 -2.173 2.566 1324TIP3 H146044 3.581 -2.120 2.498 1324TIP3 H246045 3.561 -2.166 2.639 1324TIP3 OH246046 3.905 -1.394 2.569 1324TIP3 H146047 3.837 -1.333 2.605 1324TIP3 H246048 3.977 -1.333 2.547 1324TIP3 OH246049 3.584 -1.965 2.358 1324TIP3 H146050 3.648 -1.913 2.412 1324TIP3 H246051 3.646 -2.004 2.293 1324TIP3 OH246052 3.712 -1.199 2.645 1324TIP3 H146053 3.714 -1.103 2.626 1324TIP3 H246054 3.629 -1.205 2.696 1324TIP3 OH246055 3.335 -1.171 1.761 1324TIP3 H146056 3.327 -1.174 1.664 1324TIP3 H246057 3.396 -1.097 1.774 1325TIP3 OH246058 4.044 -2.425 2.282 1325TIP3 H146059 4.016 -2.519 2.282 1325TIP3 H246060 3.964 -2.382 2.318 1325TIP3 OH246061 4.264 -1.542 1.747 1325TIP3 H146062 4.200 -1.471 1.727 1325TIP3 H246063 4.334 -1.520 1.686 1325TIP3 OH246064 4.288 -1.697 1.465 1325TIP3 H146065 4.368 -1.697 1.520 1325TIP3 H246066 4.300 -1.775 1.409 1325TIP3 OH246067 3.897 -1.115 2.317 1325TIP3 H146068 3.897 -1.152 2.228 1325TIP3 H246069 3.975 -1.157 2.357 1325TIP3 OH246070 3.836 -1.558 2.340 1325TIP3 H146071 3.929 -1.565 2.315 1325TIP3 H246072 3.844 -1.514 2.427 1325TIP3 OH246073 3.904 -1.135 2.869 1325TIP3 H146074 3.856 -1.074 2.927 1325TIP3 H246075 3.835 -1.161 2.806 1325TIP3 OH246076 3.589 -1.493 2.777 1325TIP3 H146077 3.600 -1.442 2.859 1325TIP3 H246078 3.494 -1.515 2.781 1325TIP3 OH246079 4.244 -0.930 1.963 1325TIP3 H146080 4.298 -0.883 2.029 1325TIP3 H246081 4.200 -0.856 1.918 1325TIP3 OH246082 3.708 -0.917 2.955 1325TIP3 H146083 3.696 -0.922 2.859 1325TIP3 H246084 3.622 -0.948 2.990 1325TIP3 OH246085 3.679 -1.582 1.829 1325TIP3 H146086 3.656 -1.500 1.781 1325TIP3 H246087 3.606 -1.640 1.800 1326TIP3 OH246088 3.257 -1.311 2.665 1326TIP3 H146089 3.209 -1.317 2.580 1326TIP3 H246090 3.269 -1.405 2.688 1326TIP3 OH246091 3.266 -1.010 2.351 1326TIP3 H146092 3.354 -1.047 2.368 1326TIP3 H246093 3.252 -0.959 2.432 1326TIP3 OH246094 4.168 -1.030 2.814 1326TIP3 H146095 4.181 -0.948 2.864 1326TIP3 H246096 4.082 -1.063 2.846 1326TIP3 OH246097 4.179 -0.651 1.810 1326TIP3 H146098 4.207 -0.649 1.718 1326TIP3 H246099 4.208 -0.567 1.845 1326TIP3 OH246100 3.555 -0.765 1.969 1326TIP3 H146101 3.579 -0.801 2.057 1326TIP3 H246102 3.468 -0.804 1.954 1326TIP3 OH246103 3.477 -1.156 2.789 1326TIP3 H146104 3.502 -1.197 2.874 1326TIP3 H246105 3.402 -1.212 2.760 1326TIP3 OH246106 3.797 -2.302 2.360 1326TIP3 H146107 3.711 -2.316 2.317 1326TIP3 H246108 3.772 -2.238 2.429 1326TIP3 OH246109 4.233 -2.372 2.794 1326TIP3 H146110 4.245 -2.445 2.858 1326TIP3 H246111 4.142 -2.390 2.763 1326TIP3 OH246112 4.227 -2.091 1.465 1326TIP3 H146113 4.169 -2.114 1.539 1326TIP3 H246114 4.204 -2.159 1.401 1326TIP3 OH246115 3.774 -1.831 2.507 1326TIP3 H146116 3.724 -1.822 2.590 1326TIP3 H246117 3.781 -1.739 2.477 1327TIP3 OH246118 4.274 -1.774 1.939 1327TIP3 H146119 4.274 -1.679 1.917 1327TIP3 H246120 4.363 -1.788 1.976 1327TIP3 OH246121 4.247 -1.741 3.019 1327TIP3 H146122 4.195 -1.821 3.041 1327TIP3 H246123 4.337 -1.778 3.026 1327TIP3 OH246124 3.516 -1.811 2.689 1327TIP3 H146125 3.542 -1.784 2.778 1327TIP3 H246126 3.478 -1.899 2.708 1327TIP3 OH246127 3.858 -2.040 1.349 1327TIP3 H146128 3.824 -2.085 1.429 1327TIP3 H246129 3.783 -2.046 1.288 1327TIP3 OH246130 3.218 -2.049 2.051 1327TIP3 H146131 3.266 -2.074 2.133 1327TIP3 H246132 3.253 -2.109 1.984 1327TIP3 OH246133 3.362 -2.020 1.624 1327TIP3 H146134 3.411 -1.969 1.557 1327TIP3 H246135 3.289 -1.959 1.645 1327TIP3 OH246136 4.347 -1.691 2.629 1327TIP3 H146137 4.370 -1.760 2.563 1327TIP3 H246138 4.275 -1.736 2.675 1327TIP3 OH246139 4.048 -2.082 2.098 1327TIP3 H146140 3.955 -2.077 2.128 1327TIP3 H246141 4.094 -2.061 2.181 1327TIP3 OH246142 3.548 -1.911 1.956 1327TIP3 H146143 3.459 -1.889 1.924 1327TIP3 H246144 3.562 -2.000 1.918 1327TIP3 OH246145 3.872 -1.845 1.773 1327TIP3 H146146 3.951 -1.900 1.755 1327TIP3 H246147 3.828 -1.842 1.685 1328TIP3 OH246148 3.732 -1.793 1.526 1328TIP3 H146149 3.661 -1.813 1.464 1328TIP3 H246150 3.807 -1.773 1.467 1328TIP3 OH246151 3.583 -1.307 3.010 1328TIP3 H146152 3.651 -1.300 3.081 1328TIP3 H246153 3.503 -1.312 3.066 1328TIP3 OH246154 4.116 -1.833 2.230 1328TIP3 H146155 4.205 -1.847 2.194 1328TIP3 H246156 4.137 -1.832 2.325 1328TIP3 OH246157 3.684 -2.168 1.896 1328TIP3 H146158 3.620 -2.240 1.918 1328TIP3 H246159 3.762 -2.219 1.871 1328TIP3 OH246160 4.047 -1.974 2.511 1328TIP3 H146161 3.978 -1.907 2.500 1328TIP3 H246162 4.104 -1.934 2.580 1328TIP3 OH246163 4.069 -1.339 1.704 1328TIP3 H146164 3.993 -1.384 1.661 1328TIP3 H246165 4.042 -1.336 1.798 1328TIP3 OH246166 4.188 -1.339 2.818 1328TIP3 H146167 4.190 -1.353 2.913 1328TIP3 H246168 4.216 -1.247 2.808 1328TIP3 OH246169 3.596 -1.395 2.253 1328TIP3 H146170 3.685 -1.410 2.219 1328TIP3 H246171 3.588 -1.470 2.314 1328TIP3 OH246172 4.286 -1.197 1.598 1328TIP3 H146173 4.260 -1.107 1.625 1328TIP3 H246174 4.209 -1.248 1.630 1328TIP3 OH246175 3.305 -1.558 2.804 1328TIP3 H146176 3.319 -1.600 2.892 1328TIP3 H246177 3.242 -1.619 2.762 1329TIP3 OH246178 4.002 -1.607 3.005 1329TIP3 H146179 3.972 -1.638 2.919 1329TIP3 H246180 4.096 -1.632 3.002 1329TIP3 OH246181 3.813 -1.061 2.001 1329TIP3 H146182 3.865 -0.980 1.996 1329TIP3 H246183 3.726 -1.028 1.978 1329TIP3 OH246184 3.422 -1.583 1.458 1329TIP3 H146185 3.475 -1.510 1.493 1329TIP3 H246186 3.331 -1.557 1.485 1329TIP3 OH246187 3.962 -1.318 1.968 1329TIP3 H146188 3.977 -1.223 1.980 1329TIP3 H246189 3.879 -1.329 2.014 1329TIP3 OH246190 4.020 -0.859 2.604 1329TIP3 H146191 4.081 -0.788 2.573 1329TIP3 H246192 4.080 -0.912 2.658 1329TIP3 OH246193 3.857 -0.767 1.927 1329TIP3 H146194 3.761 -0.751 1.932 1329TIP3 H246195 3.894 -0.680 1.951 1329TIP3 OH246196 3.435 -2.093 2.763 1329TIP3 H146197 3.342 -2.068 2.744 1329TIP3 H246198 3.424 -2.177 2.811 1329TIP3 OH246199 3.414 -0.919 2.606 1329TIP3 H146200 3.442 -1.010 2.628 1329TIP3 H246201 3.431 -0.875 2.690 1329TIP3 OH246202 3.992 -1.047 1.309 1329TIP3 H146203 4.031 -1.121 1.258 1329TIP3 H246204 3.959 -1.093 1.387 1329TIP3 OH246205 3.884 -1.107 1.585 1329TIP3 H146206 3.939 -1.153 1.649 1329TIP3 H246207 3.898 -1.013 1.610 1330TIP3 OH246208 3.567 -1.361 1.627 1330TIP3 H146209 3.490 -1.321 1.671 1330TIP3 H246210 3.609 -1.283 1.586 1330TIP3 OH246211 4.341 -2.063 2.670 1330TIP3 H146212 4.378 -2.140 2.713 1330TIP3 H246213 4.275 -2.102 2.611 1330TIP3 OH246214 4.165 -0.940 1.635 1330TIP3 H146215 4.089 -0.885 1.658 1330TIP3 H246216 4.213 -0.883 1.573 1330TIP3 OH246217 4.127 -1.978 1.841 1330TIP3 H146218 4.193 -1.908 1.864 1330TIP3 H246219 4.104 -2.004 1.933 1330TIP3 OH246220 4.169 -1.874 2.759 1330TIP3 H146221 4.182 -1.829 2.844 1330TIP3 H246222 4.237 -1.944 2.762 1330TIP3 OH246223 4.193 -2.268 1.956 1330TIP3 H146224 4.166 -2.193 2.014 1330TIP3 H246225 4.275 -2.234 1.916 1330TIP3 OH246226 3.890 -0.832 1.642 1330TIP3 H146227 3.891 -0.751 1.587 1330TIP3 H246228 3.883 -0.795 1.732 1330TIP3 OH246229 3.773 -2.154 1.584 1330TIP3 H146230 3.757 -2.091 1.657 1330TIP3 H246231 3.850 -2.204 1.616 1330TIP3 OH246232 3.608 -1.079 1.499 1330TIP3 H146233 3.682 -1.027 1.535 1330TIP3 H246234 3.655 -1.124 1.427 1330TIP3 OH246235 3.431 -1.851 1.400 1330TIP3 H146236 3.433 -1.754 1.418 1330TIP3 H246237 3.341 -1.861 1.365 1331TIP3 OH246238 3.519 -2.355 2.286 1331TIP3 H146239 3.496 -2.358 2.191 1331TIP3 H246240 3.484 -2.439 2.319 1331TIP3 OH246241 3.346 -0.712 3.027 1331TIP3 H146242 3.404 -0.738 3.100 1331TIP3 H246243 3.306 -0.798 3.002 1331TIP3 OH246244 3.820 -0.797 3.197 1331TIP3 H146245 3.876 -0.867 3.234 1331TIP3 H246246 3.789 -0.839 3.115 1331TIP3 OH246247 4.230 -0.882 1.342 1331TIP3 H146248 4.148 -0.936 1.341 1331TIP3 H246249 4.295 -0.952 1.326 1331TIP3 OH246250 3.342 -1.349 3.139 1331TIP3 H146251 3.350 -1.441 3.108 1331TIP3 H246252 3.264 -1.319 3.089 1331TIP3 OH246253 3.756 -1.311 1.335 1331TIP3 H146254 3.777 -1.368 1.411 1331TIP3 H246255 3.843 -1.306 1.291 1331TIP3 OH246256 4.008 -1.329 3.073 1331TIP3 H146257 3.981 -1.298 2.985 1331TIP3 H246258 4.017 -1.425 3.060 1331TIP3 OH246259 4.256 -1.174 1.299 1331TIP3 H146260 4.281 -1.162 1.392 1331TIP3 H246261 4.249 -1.271 1.293 1331TIP3 OH246262 3.431 -1.634 3.056 1331TIP3 H146263 3.502 -1.700 3.059 1331TIP3 H246264 3.422 -1.614 3.150 1331TIP3 OH246265 3.870 -1.503 1.581 1331TIP3 H146266 3.804 -1.558 1.626 1331TIP3 H246267 3.904 -1.565 1.514 1332TIP3 OH246268 3.793 -1.723 2.796 1332TIP3 H146269 3.743 -1.645 2.827 1332TIP3 H246270 3.857 -1.683 2.735 1332TIP3 OH246271 3.977 -1.693 1.402 1332TIP3 H146272 3.973 -1.696 1.305 1332TIP3 H246273 4.073 -1.689 1.417 1332TIP3 OH246274 4.281 -1.476 3.165 1332TIP3 H146275 4.358 -1.509 3.117 1332TIP3 H246276 4.267 -1.549 3.228 1332TIP3 OH246277 3.860 -1.991 2.917 1332TIP3 H146278 3.861 -2.059 2.847 1332TIP3 H246279 3.836 -1.911 2.867 1332TIP3 OH246280 3.887 -2.149 2.658 1332TIP3 H146281 3.936 -2.091 2.596 1332TIP3 H246282 3.795 -2.144 2.625 1332TIP3 OH246283 4.059 -1.610 2.686 1332TIP3 H146284 4.138 -1.609 2.631 1332TIP3 H246285 4.032 -1.516 2.681 1332TIP3 OH246286 3.674 -1.810 3.093 1332TIP3 H146287 3.618 -1.890 3.094 1332TIP3 H246288 3.755 -1.844 3.051 1332TIP3 OH246289 3.972 -2.409 2.694 1332TIP3 H146290 3.947 -2.316 2.678 1332TIP3 H246291 3.904 -2.456 2.642 1332TIP3 OH246292 4.102 -1.965 3.070 1332TIP3 H146293 4.065 -1.989 3.156 1332TIP3 H246294 4.027 -1.987 3.012 1332TIP3 OH246295 3.539 -2.065 3.075 1332TIP3 H146296 3.529 -2.137 3.010 1332TIP3 H246297 3.512 -2.109 3.157 1333TIP3 OH246298 3.945 -2.464 2.979 1333TIP3 H146299 4.006 -2.539 2.982 1333TIP3 H246300 3.940 -2.447 2.883 1333TIP3 OH246301 4.036 -2.283 3.172 1333TIP3 H146302 4.005 -2.338 3.097 1333TIP3 H246303 3.973 -2.210 3.171 1333TIP3 OH246304 3.956 -0.579 1.512 1333TIP3 H146305 4.052 -0.570 1.520 1333TIP3 H246306 3.941 -0.528 1.431 1333TIP3 OH246307 3.336 -1.146 1.476 1333TIP3 H146308 3.430 -1.119 1.472 1333TIP3 H246309 3.331 -1.212 1.404 1333TIP3 OH246310 3.229 -0.622 1.926 1333TIP3 H146311 3.143 -0.643 1.888 1333TIP3 H246312 3.231 -0.679 2.005 1333TIP3 OH246313 3.269 -0.836 2.122 1333TIP3 H146314 3.247 -0.912 2.181 1333TIP3 H246315 3.307 -0.779 2.191 1333TIP3 OH246316 3.286 -1.474 2.375 1333TIP3 H146317 3.310 -1.477 2.281 1333TIP3 H246318 3.372 -1.499 2.417 1333TIP3 OH246319 3.239 -1.983 3.028 1333TIP3 H146320 3.332 -2.008 3.025 1333TIP3 H246321 3.196 -2.070 3.038 1333TIP3 OH246322 3.352 -2.110 2.291 1333TIP3 H146323 3.392 -2.197 2.308 1333TIP3 H246324 3.415 -2.051 2.336 1333TIP3 OH246325 3.206 -1.844 2.399 1333TIP3 H146326 3.262 -1.842 2.320 1333TIP3 H246327 3.238 -1.768 2.448 1334TIP3 OH246328 3.251 -2.206 1.809 1334TIP3 H146329 3.156 -2.205 1.787 1334TIP3 H246330 3.290 -2.148 1.742 1334TIP3 OH246331 3.231 -2.325 2.641 1334TIP3 H146332 3.170 -2.360 2.708 1334TIP3 H246333 3.171 -2.280 2.580 1334TIP3 OH246334 3.456 -1.009 3.086 1334TIP3 H146335 3.378 -1.011 3.030 1334TIP3 H246336 3.419 -1.018 3.175 1334TIP3 OH246337 3.741 -0.917 2.652 1334TIP3 H146338 3.710 -0.829 2.623 1334TIP3 H246339 3.837 -0.905 2.640 1334TIP3 OH246340 4.219 -0.747 2.948 1334TIP3 H146341 4.204 -0.785 3.036 1334TIP3 H246342 4.315 -0.728 2.954 1334TIP3 OH246343 3.477 -0.615 2.688 1334TIP3 H146344 3.415 -0.551 2.650 1334TIP3 H246345 3.449 -0.615 2.780 1334TIP3 OH246346 3.726 -0.642 2.545 1334TIP3 H146347 3.643 -0.621 2.591 1334TIP3 H246348 3.734 -0.569 2.481 1334TIP3 OH246349 4.195 -0.662 2.502 1334TIP3 H146350 4.180 -0.610 2.421 1334TIP3 H246351 4.259 -0.609 2.549 1334TIP3 OH246352 3.436 -0.737 2.384 1334TIP3 H146353 3.432 -0.783 2.470 1334TIP3 H246354 3.514 -0.780 2.344 1334TIP3 OH246355 3.635 -0.866 2.225 1334TIP3 H146356 3.623 -0.957 2.259 1334TIP3 H246357 3.725 -0.845 2.259 1335TIP3 OH246358 3.908 -0.815 2.318 1335TIP3 H146359 3.934 -0.906 2.298 1335TIP3 H246360 3.921 -0.814 2.414 1335TIP3 OH246361 4.265 -2.258 2.248 1335TIP3 H146362 4.182 -2.306 2.263 1335TIP3 H246363 4.299 -2.302 2.170 1335TIP3 OH246364 3.482 -2.355 2.000 1335TIP3 H146365 3.394 -2.369 1.959 1335TIP3 H246366 3.522 -2.443 1.990 1335TIP3 OH246367 3.365 -2.407 1.594 1335TIP3 H146368 3.411 -2.340 1.540 1335TIP3 H246369 3.320 -2.353 1.660 1335TIP3 OH246370 3.930 -2.367 1.992 1335TIP3 H146371 4.024 -2.344 1.983 1335TIP3 H246372 3.925 -2.383 2.087 1335TIP3 OH246373 3.333 -0.842 1.729 1335TIP3 H146374 3.304 -0.832 1.637 1335TIP3 H246375 3.374 -0.754 1.740 1335TIP3 OH246376 3.536 -2.221 1.433 1335TIP3 H146377 3.593 -2.283 1.384 1335TIP3 H246378 3.596 -2.191 1.504 1335TIP3 OH246379 4.062 -2.200 1.693 1335TIP3 H146380 4.066 -2.270 1.760 1335TIP3 H246381 4.073 -2.120 1.747 1335TIP3 OH246382 4.264 -0.649 1.518 1335TIP3 H146383 4.351 -0.609 1.499 1335TIP3 H246384 4.249 -0.705 1.441 1335TIP3 OH246385 3.482 -2.323 2.949 1335TIP3 H146386 3.415 -2.385 2.984 1335TIP3 H246387 3.562 -2.352 2.997 1336TIP3 OH246388 3.702 -2.393 3.134 1336TIP3 H146389 3.783 -2.430 3.093 1336TIP3 H246390 3.661 -2.473 3.171 1336TIP3 OH246391 3.518 -0.724 1.394 1336TIP3 H146392 3.505 -0.681 1.480 1336TIP3 H246393 3.603 -0.770 1.404 1336TIP3 OH246394 -3.162 0.403 2.029 1336TIP3 H146395 -3.161 0.499 2.040 1336TIP3 H246396 -3.236 0.391 1.967 1336TIP3 OH246397 -3.276 0.349 2.337 1336TIP3 H146398 -3.275 0.293 2.416 1336TIP3 H246399 -3.302 0.286 2.269 1336TIP3 OH246400 -4.029 0.308 2.501 1336TIP3 H146401 -4.033 0.233 2.564 1336TIP3 H246402 -3.959 0.361 2.541 1336TIP3 OH246403 -2.905 0.622 2.169 1336TIP3 H146404 -2.945 0.551 2.222 1336TIP3 H246405 -2.880 0.685 2.238 1336TIP3 OH246406 -3.960 0.768 2.351 1336TIP3 H146407 -3.987 0.678 2.325 1336TIP3 H246408 -3.867 0.754 2.372 1336TIP3 OH246409 -4.197 0.167 1.799 1336TIP3 H146410 -4.223 0.242 1.855 1336TIP3 H246411 -4.283 0.132 1.770 1336TIP3 OH246412 -4.205 0.345 2.054 1336TIP3 H146413 -4.188 0.282 2.126 1336TIP3 H246414 -4.118 0.385 2.041 1336TIP3 OH246415 -3.201 1.159 2.228 1336TIP3 H146416 -3.142 1.089 2.192 1336TIP3 H246417 -3.226 1.120 2.312 1337TIP3 OH246418 -3.426 0.600 2.393 1337TIP3 H146419 -3.393 0.528 2.336 1337TIP3 H246420 -3.345 0.615 2.445 1337TIP3 OH246421 -2.564 -0.246 2.458 1337TIP3 H146422 -2.532 -0.187 2.529 1337TIP3 H246423 -2.500 -0.226 2.387 1337TIP3 OH246424 -3.096 0.034 2.443 1337TIP3 H146425 -3.084 -0.062 2.451 1337TIP3 H246426 -3.105 0.043 2.346 1337TIP3 OH246427 -3.798 -0.166 2.152 1337TIP3 H146428 -3.785 -0.080 2.106 1337TIP3 H246429 -3.834 -0.220 2.080 1337TIP3 OH246430 -3.036 -0.162 1.973 1337TIP3 H146431 -2.971 -0.206 2.031 1337TIP3 H246432 -2.978 -0.120 1.908 1337TIP3 OH246433 -4.138 0.109 2.206 1337TIP3 H146434 -4.079 0.066 2.270 1337TIP3 H246435 -4.121 0.055 2.127 1337TIP3 OH246436 -3.592 0.245 2.149 1337TIP3 H146437 -3.521 0.191 2.188 1337TIP3 H246438 -3.643 0.178 2.100 1337TIP3 OH246439 -2.485 -0.108 2.706 1337TIP3 H146440 -2.548 -0.039 2.678 1337TIP3 H246441 -2.508 -0.116 2.800 1337TIP3 OH246442 -3.916 -0.282 2.568 1337TIP3 H146443 -3.963 -0.239 2.496 1337TIP3 H246444 -3.980 -0.269 2.641 1337TIP3 OH246445 -3.171 0.689 1.909 1337TIP3 H146446 -3.200 0.666 1.821 1337TIP3 H246447 -3.216 0.774 1.925 1338TIP3 OH246448 -3.625 0.501 2.580 1338TIP3 H146449 -3.698 0.561 2.606 1338TIP3 H246450 -3.563 0.562 2.536 1338TIP3 OH246451 -2.840 -0.229 2.184 1338TIP3 H146452 -2.881 -0.283 2.252 1338TIP3 H246453 -2.781 -0.172 2.236 1338TIP3 OH246454 -3.958 -0.077 2.359 1338TIP3 H146455 -3.892 -0.023 2.407 1338TIP3 H246456 -3.901 -0.118 2.291 1338TIP3 OH246457 -3.828 0.688 2.652 1338TIP3 H146458 -3.830 0.780 2.622 1338TIP3 H246459 -3.916 0.680 2.694 1338TIP3 OH246460 -4.181 0.654 1.743 1338TIP3 H146461 -4.262 0.667 1.690 1338TIP3 H246462 -4.196 0.710 1.821 1338TIP3 OH246463 -2.849 0.803 2.418 1338TIP3 H146464 -2.946 0.813 2.421 1338TIP3 H246465 -2.823 0.890 2.381 1338TIP3 OH246466 -2.817 -0.317 2.573 1338TIP3 H146467 -2.895 -0.275 2.531 1338TIP3 H246468 -2.745 -0.291 2.512 1338TIP3 OH246469 -3.507 -0.544 2.273 1338TIP3 H146470 -3.532 -0.639 2.279 1338TIP3 H246471 -3.586 -0.502 2.314 1338TIP3 OH246472 -3.020 0.998 2.076 1338TIP3 H146473 -2.973 0.918 2.044 1338TIP3 H246474 -2.952 1.066 2.063 1338TIP3 OH246475 -2.878 0.785 1.939 1338TIP3 H146476 -2.923 0.738 1.867 1338TIP3 H246477 -2.882 0.719 2.010 1339TIP3 OH246478 -2.720 0.666 2.786 1339TIP3 H146479 -2.733 0.601 2.714 1339TIP3 H246480 -2.711 0.750 2.737 1339TIP3 OH246481 -3.291 0.355 1.756 1339TIP3 H146482 -3.357 0.415 1.717 1339TIP3 H246483 -3.220 0.358 1.690 1339TIP3 OH246484 -3.269 0.175 1.463 1339TIP3 H146485 -3.198 0.204 1.523 1339TIP3 H246486 -3.217 0.121 1.401 1339TIP3 OH246487 -2.539 0.289 2.573 1339TIP3 H146488 -2.616 0.350 2.585 1339TIP3 H246489 -2.503 0.321 2.489 1339TIP3 OH246490 -2.940 0.361 1.866 1339TIP3 H146491 -3.011 0.380 1.931 1339TIP3 H246492 -2.886 0.297 1.914 1339TIP3 OH246493 -2.959 0.211 2.747 1339TIP3 H146494 -2.956 0.292 2.799 1339TIP3 H246495 -3.026 0.238 2.681 1339TIP3 OH246496 -3.783 0.435 2.040 1339TIP3 H146497 -3.816 0.390 1.959 1339TIP3 H246498 -3.719 0.370 2.074 1339TIP3 OH246499 -3.648 0.774 2.315 1339TIP3 H146500 -3.658 0.736 2.227 1339TIP3 H246501 -3.568 0.727 2.347 1339TIP3 OH246502 -3.729 0.320 2.387 1339TIP3 H146503 -3.669 0.319 2.310 1339TIP3 H246504 -3.686 0.382 2.448 1339TIP3 OH246505 -3.132 0.867 2.448 1339TIP3 H146506 -3.129 0.933 2.519 1339TIP3 H246507 -3.154 0.784 2.495 1340TIP3 OH246508 -3.641 0.747 2.872 1340TIP3 H146509 -3.693 0.812 2.923 1340TIP3 H246510 -3.706 0.720 2.804 1340TIP3 OH246511 -3.044 0.292 1.610 1340TIP3 H146512 -2.993 0.315 1.691 1340TIP3 H246513 -2.993 0.342 1.542 1340TIP3 OH246514 -3.956 0.385 2.786 1340TIP3 H146515 -3.948 0.441 2.865 1340TIP3 H246516 -4.053 0.376 2.779 1340TIP3 OH246517 -3.304 0.961 1.966 1340TIP3 H146518 -3.255 0.990 2.043 1340TIP3 H246519 -3.352 1.041 1.939 1340TIP3 OH246520 -3.837 0.966 2.957 1340TIP3 H146521 -3.843 0.966 2.860 1340TIP3 H246522 -3.928 0.944 2.985 1340TIP3 OH246523 -2.708 -0.468 1.521 1340TIP3 H146524 -2.738 -0.534 1.585 1340TIP3 H246525 -2.611 -0.468 1.534 1340TIP3 OH246526 -3.894 0.307 1.795 1340TIP3 H146527 -3.916 0.382 1.738 1340TIP3 H246528 -3.964 0.243 1.772 1340TIP3 OH246529 -2.556 0.882 1.414 1340TIP3 H146530 -2.543 0.975 1.439 1340TIP3 H246531 -2.467 0.845 1.426 1340TIP3 OH246532 -4.271 0.592 2.645 1340TIP3 H146533 -4.286 0.554 2.557 1340TIP3 H246534 -4.305 0.520 2.702 1340TIP3 OH246535 -4.279 0.877 2.340 1340TIP3 H146536 -4.200 0.824 2.359 1340TIP3 H246537 -4.298 0.915 2.426 1341TIP3 OH246538 -2.442 0.925 2.937 1341TIP3 H146539 -2.456 0.829 2.924 1341TIP3 H246540 -2.532 0.953 2.964 1341TIP3 OH246541 -3.378 0.853 2.816 1341TIP3 H146542 -3.370 0.934 2.870 1341TIP3 H246543 -3.468 0.821 2.840 1341TIP3 OH246544 -3.349 1.233 1.814 1341TIP3 H146545 -3.348 1.243 1.718 1341TIP3 H246546 -3.344 1.325 1.846 1341TIP3 OH246547 -3.977 1.146 1.977 1341TIP3 H146548 -3.951 1.106 2.062 1341TIP3 H246549 -4.051 1.088 1.952 1341TIP3 OH246550 -3.020 1.175 1.532 1341TIP3 H146551 -2.960 1.110 1.489 1341TIP3 H246552 -3.024 1.138 1.623 1341TIP3 OH246553 -3.080 1.119 1.813 1341TIP3 H146554 -3.175 1.131 1.827 1341TIP3 H246555 -3.062 1.046 1.875 1341TIP3 OH246556 -2.762 0.067 2.977 1341TIP3 H146557 -2.816 0.104 2.906 1341TIP3 H246558 -2.759 -0.028 2.952 1341TIP3 OH246559 -4.072 0.731 2.795 1341TIP3 H146560 -4.041 0.674 2.868 1341TIP3 H246561 -4.146 0.680 2.756 1341TIP3 OH246562 -3.747 -0.422 2.371 1341TIP3 H146563 -3.830 -0.441 2.325 1341TIP3 H246564 -3.776 -0.353 2.432 1341TIP3 OH246565 -3.312 -0.462 2.735 1341TIP3 H146566 -3.262 -0.519 2.797 1341TIP3 H246567 -3.403 -0.497 2.743 1342TIP3 OH246568 -2.993 -0.085 2.785 1342TIP3 H146569 -3.055 -0.102 2.858 1342TIP3 H246570 -3.003 0.011 2.770 1342TIP3 OH246571 -2.892 0.412 1.407 1342TIP3 H146572 -2.909 0.384 1.316 1342TIP3 H246573 -2.795 0.425 1.405 1342TIP3 OH246574 -3.762 0.057 2.507 1342TIP3 H146575 -3.817 0.066 2.586 1342TIP3 H246576 -3.757 0.148 2.473 1342TIP3 OH246577 -3.770 0.063 1.997 1342TIP3 H146578 -3.866 0.057 1.980 1342TIP3 H246579 -3.735 0.045 1.908 1342TIP3 OH246580 -3.188 0.115 1.862 1342TIP3 H146581 -3.228 0.199 1.832 1342TIP3 H246582 -3.130 0.094 1.786 1342TIP3 OH246583 -3.288 0.141 3.011 1342TIP3 H146584 -3.338 0.065 3.046 1342TIP3 H246585 -3.200 0.127 3.051 1342TIP3 OH246586 -3.119 0.051 2.144 1342TIP3 H146587 -3.144 0.109 2.070 1342TIP3 H246588 -3.099 -0.030 2.093 1342TIP3 OH246589 -4.029 0.075 2.694 1342TIP3 H146590 -3.994 0.106 2.778 1342TIP3 H246591 -4.052 -0.017 2.716 1342TIP3 OH246592 -3.683 -0.166 1.356 1342TIP3 H146593 -3.729 -0.208 1.431 1342TIP3 H246594 -3.756 -0.149 1.294 1342TIP3 OH246595 -4.319 -0.167 2.056 1342TIP3 H146596 -4.304 -0.191 2.149 1342TIP3 H246597 -4.279 -0.241 2.010 1343TIP3 OH246598 -4.211 -0.118 1.645 1343TIP3 H146599 -4.151 -0.095 1.571 1343TIP3 H246600 -4.295 -0.089 1.609 1343TIP3 OH246601 -3.210 0.227 2.599 1343TIP3 H146602 -3.167 0.155 2.548 1343TIP3 H246603 -3.245 0.178 2.675 1343TIP3 OH246604 -3.492 -0.178 2.096 1343TIP3 H146605 -3.585 -0.182 2.122 1343TIP3 H246606 -3.447 -0.198 2.180 1343TIP3 OH246607 -4.039 -0.051 1.964 1343TIP3 H146608 -4.113 -0.035 1.903 1343TIP3 H246609 -4.003 -0.134 1.929 1343TIP3 OH246610 -3.667 -0.029 1.729 1343TIP3 H146611 -3.573 -0.007 1.742 1343TIP3 H246612 -3.697 0.037 1.664 1343TIP3 OH246613 -3.053 -0.266 2.401 1343TIP3 H146614 -3.115 -0.265 2.477 1343TIP3 H246615 -3.113 -0.295 2.330 1343TIP3 OH246616 -3.824 0.106 1.514 1343TIP3 H146617 -3.885 0.074 1.446 1343TIP3 H246618 -3.744 0.124 1.462 1343TIP3 OH246619 -2.751 1.313 3.067 1343TIP3 H146620 -2.728 1.360 2.986 1343TIP3 H246621 -2.685 1.347 3.129 1343TIP3 OH246622 -3.952 0.578 3.009 1343TIP3 H146623 -3.889 0.580 3.086 1343TIP3 H246624 -4.036 0.586 3.058 1343TIP3 OH246625 -3.386 0.077 2.280 1343TIP3 H146626 -3.313 0.031 2.235 1343TIP3 H246627 -3.404 0.017 2.355 1344TIP3 OH246628 -3.875 -0.286 1.908 1344TIP3 H146629 -3.921 -0.371 1.914 1344TIP3 H246630 -3.795 -0.310 1.859 1344TIP3 OH246631 -3.488 -0.073 2.502 1344TIP3 H146632 -3.569 -0.020 2.509 1344TIP3 H246633 -3.441 -0.053 2.586 1344TIP3 OH246634 -3.478 0.562 1.696 1344TIP3 H146635 -3.553 0.510 1.661 1344TIP3 H246636 -3.496 0.565 1.793 1344TIP3 OH246637 -2.754 0.477 2.569 1344TIP3 H146638 -2.706 0.531 2.504 1344TIP3 H246639 -2.841 0.465 2.525 1344TIP3 OH246640 -3.312 0.563 2.828 1344TIP3 H146641 -3.342 0.529 2.913 1344TIP3 H246642 -3.344 0.655 2.830 1344TIP3 OH246643 -3.020 -0.010 1.651 1344TIP3 H146644 -2.933 -0.028 1.689 1344TIP3 H246645 -3.003 0.068 1.596 1344TIP3 OH246646 -3.977 0.493 2.266 1344TIP3 H146647 -3.908 0.485 2.197 1344TIP3 H246648 -3.961 0.413 2.319 1344TIP3 OH246649 -3.239 0.699 1.587 1344TIP3 H146650 -3.264 0.784 1.628 1344TIP3 H246651 -3.312 0.642 1.616 1344TIP3 OH246652 -4.241 0.346 2.832 1344TIP3 H146653 -4.229 0.281 2.903 1344TIP3 H246654 -4.288 0.294 2.764 1344TIP3 OH246655 -3.540 0.280 3.003 1344TIP3 H146656 -3.574 0.253 2.916 1344TIP3 H246657 -3.448 0.250 2.996 1345TIP3 OH246658 -3.087 0.824 2.775 1345TIP3 H146659 -3.184 0.830 2.770 1345TIP3 H246660 -3.070 0.847 2.868 1345TIP3 OH246661 -2.540 0.030 1.663 1345TIP3 H146662 -2.582 0.000 1.581 1345TIP3 H246663 -2.524 0.124 1.641 1345TIP3 OH246664 -2.487 0.634 2.931 1345TIP3 H146665 -2.582 0.653 2.913 1345TIP3 H246666 -2.456 0.613 2.841 1345TIP3 OH246667 -2.720 0.884 1.656 1345TIP3 H146668 -2.733 0.808 1.715 1345TIP3 H246669 -2.654 0.851 1.594 1345TIP3 OH246670 -2.989 0.421 2.400 1345TIP3 H146671 -3.082 0.406 2.377 1345TIP3 H246672 -2.946 0.348 2.350 1345TIP3 OH246673 -3.728 0.830 2.007 1345TIP3 H146674 -3.684 0.916 1.993 1345TIP3 H246675 -3.818 0.850 1.980 1345TIP3 OH246676 -4.154 0.324 1.476 1345TIP3 H146677 -4.081 0.378 1.513 1345TIP3 H246678 -4.229 0.384 1.489 1345TIP3 OH246679 -3.543 0.598 1.966 1345TIP3 H146680 -3.573 0.689 1.982 1345TIP3 H246681 -3.614 0.548 2.009 1345TIP3 OH246682 -3.526 1.026 2.603 1345TIP3 H146683 -3.467 1.097 2.571 1345TIP3 H246684 -3.465 0.974 2.658 1345TIP3 OH246685 -3.681 1.119 1.927 1345TIP3 H146686 -3.776 1.136 1.932 1345TIP3 H246687 -3.645 1.207 1.949 1346TIP3 OH246688 -3.185 0.600 2.559 1346TIP3 H146689 -3.215 0.571 2.647 1346TIP3 H246690 -3.112 0.538 2.542 1346TIP3 OH246691 -2.971 0.730 1.453 1346TIP3 H146692 -2.927 0.685 1.527 1346TIP3 H246693 -3.063 0.713 1.479 1346TIP3 OH246694 -2.891 1.056 2.797 1346TIP3 H146695 -2.967 1.010 2.756 1346TIP3 H246696 -2.882 1.136 2.742 1346TIP3 OH246697 -2.499 1.155 1.505 1346TIP3 H146698 -2.425 1.212 1.479 1346TIP3 H246699 -2.572 1.219 1.502 1346TIP3 OH246700 -4.100 -0.199 2.767 1346TIP3 H146701 -4.188 -0.161 2.751 1346TIP3 H246702 -4.120 -0.283 2.813 1346TIP3 OH246703 -2.869 0.593 1.692 1346TIP3 H146704 -2.895 0.517 1.748 1346TIP3 H246705 -2.772 0.590 1.698 1346TIP3 OH246706 -4.129 0.973 2.613 1346TIP3 H146707 -4.110 0.878 2.619 1346TIP3 H246708 -4.094 1.002 2.698 1346TIP3 OH246709 -3.544 0.835 1.309 1346TIP3 H146710 -3.517 0.757 1.257 1346TIP3 H246711 -3.587 0.793 1.385 1346TIP3 OH246712 -3.663 0.785 1.582 1346TIP3 H146713 -3.609 0.732 1.643 1346TIP3 H246714 -3.646 0.877 1.613 1346TIP3 OH246715 -3.986 0.527 1.613 1346TIP3 H146716 -4.055 0.568 1.670 1346TIP3 H246717 -3.936 0.607 1.589 1347TIP3 OH246718 -3.209 -0.224 2.620 1347TIP3 H146719 -3.150 -0.199 2.692 1347TIP3 H246720 -3.260 -0.298 2.660 1347TIP3 OH246721 -3.366 0.949 1.643 1347TIP3 H146722 -3.448 0.999 1.660 1347TIP3 H246723 -3.329 0.997 1.567 1347TIP3 OH246724 -3.398 -0.074 1.842 1347TIP3 H146725 -3.319 -0.018 1.857 1347TIP3 H246726 -3.427 -0.092 1.934 1347TIP3 OH246727 -3.365 0.013 2.757 1347TIP3 H146728 -3.362 0.063 2.840 1347TIP3 H246729 -3.316 -0.067 2.781 1347TIP3 OH246730 -3.309 -0.363 1.924 1347TIP3 H146731 -3.353 -0.311 1.994 1347TIP3 H246732 -3.239 -0.301 1.899 1347TIP3 OH246733 -3.646 1.056 1.642 1347TIP3 H146734 -3.652 1.137 1.587 1347TIP3 H246735 -3.657 1.092 1.732 1347TIP3 OH246736 -3.776 -0.278 1.596 1347TIP3 H146737 -3.763 -0.196 1.648 1347TIP3 H246738 -3.693 -0.327 1.612 1347TIP3 OH246739 -2.740 -0.186 2.845 1347TIP3 H146740 -2.836 -0.174 2.832 1347TIP3 H246741 -2.716 -0.212 2.755 1347TIP3 OH246742 -2.890 0.197 2.245 1347TIP3 H146743 -2.971 0.149 2.217 1347TIP3 H246744 -2.841 0.126 2.292 1347TIP3 OH246745 -3.931 0.812 1.497 1347TIP3 H146746 -3.854 0.855 1.537 1347TIP3 H246747 -3.887 0.757 1.431 1348TIP3 OH246748 -4.117 0.026 1.418 1348TIP3 H146749 -4.111 0.122 1.431 1348TIP3 H246750 -4.187 0.015 1.352 1348TIP3 OH246751 -2.787 1.082 2.388 1348TIP3 H146752 -2.805 1.163 2.336 1348TIP3 H246753 -2.695 1.097 2.412 1348TIP3 OH246754 -4.028 -0.474 2.283 1348TIP3 H146755 -4.061 -0.479 2.192 1348TIP3 H246756 -4.065 -0.555 2.324 1348TIP3 OH246757 -4.135 0.904 1.918 1348TIP3 H146758 -4.225 0.932 1.899 1348TIP3 H246759 -4.092 0.920 1.834 1348TIP3 OH246760 -4.213 1.167 3.032 1348TIP3 H146761 -4.151 1.169 3.106 1348TIP3 H246762 -4.215 1.071 3.019 1348TIP3 OH246763 -3.723 1.084 3.203 1348TIP3 H146764 -3.658 1.017 3.229 1348TIP3 H246765 -3.750 1.051 3.116 1348TIP3 OH246766 -3.323 1.004 1.356 1348TIP3 H146767 -3.402 0.946 1.349 1348TIP3 H246768 -3.255 0.943 1.325 1348TIP3 OH246769 -3.080 0.906 3.064 1348TIP3 H146770 -3.118 0.825 3.103 1348TIP3 H246771 -3.011 0.929 3.129 1348TIP3 OH246772 -2.859 0.996 1.371 1348TIP3 H146773 -2.842 0.916 1.424 1348TIP3 H246774 -2.779 0.999 1.316 1348TIP3 OH246775 -4.199 0.572 3.095 1348TIP3 H146776 -4.188 0.481 3.065 1348TIP3 H246777 -4.287 0.595 3.063 1349TIP3 OH246778 -3.781 0.579 1.343 1349TIP3 H146779 -3.762 0.519 1.417 1349TIP3 H246780 -3.697 0.575 1.294 1349TIP3 OH246781 -3.539 0.556 3.075 1349TIP3 H146782 -3.569 0.587 2.987 1349TIP3 H246783 -3.530 0.459 3.061 1349TIP3 OH246784 -3.254 0.715 1.303 1349TIP3 H146785 -3.259 0.707 1.400 1349TIP3 H246786 -3.258 0.619 1.280 1349TIP3 OH246787 -3.001 0.517 2.813 1349TIP3 H146788 -2.924 0.572 2.795 1349TIP3 H246789 -3.073 0.583 2.812 1349TIP3 OH246790 -4.134 0.246 3.072 1349TIP3 H146791 -4.056 0.188 3.060 1349TIP3 H246792 -4.124 0.269 3.165 1349TIP3 OH246793 -3.674 0.387 1.576 1349TIP3 H146794 -3.733 0.335 1.631 1349TIP3 H246795 -3.642 0.319 1.512 1349TIP3 OH246796 -3.752 0.162 2.798 1349TIP3 H146797 -3.803 0.242 2.820 1349TIP3 H246798 -3.683 0.199 2.739 1349TIP3 OH246799 -3.576 0.188 1.401 1349TIP3 H146800 -3.580 0.197 1.304 1349TIP3 H246801 -3.479 0.187 1.416 1349TIP3 OH246802 -3.219 0.434 3.156 1349TIP3 H146803 -3.129 0.414 3.128 1349TIP3 H246804 -3.245 0.350 3.197 1349TIP3 OH246805 -2.631 0.442 1.331 1349TIP3 H146806 -2.629 0.394 1.247 1349TIP3 H246807 -2.592 0.526 1.305 1350TIP3 OH246808 -3.692 -0.108 2.916 1350TIP3 H146809 -3.684 -0.175 2.845 1350TIP3 H246810 -3.711 -0.028 2.865 1350TIP3 OH246811 -3.659 -0.257 2.663 1350TIP3 H146812 -3.606 -0.212 2.595 1350TIP3 H246813 -3.749 -0.257 2.625 1350TIP3 OH246814 -3.503 0.284 2.700 1350TIP3 H146815 -3.419 0.274 2.653 1350TIP3 H246816 -3.532 0.372 2.669 1350TIP3 OH246817 -3.044 0.077 3.177 1350TIP3 H146818 -3.024 -0.017 3.194 1350TIP3 H246819 -2.955 0.115 3.175 1350TIP3 OH246820 -2.947 0.357 3.027 1350TIP3 H146821 -2.982 0.417 2.959 1350TIP3 H246822 -2.859 0.338 2.990 1350TIP3 OH246823 -3.880 0.084 3.087 1350TIP3 H146824 -3.931 0.001 3.094 1350TIP3 H246825 -3.796 0.052 3.049 1350TIP3 OH246826 -3.581 -0.526 2.688 1350TIP3 H146827 -3.610 -0.434 2.676 1350TIP3 H246828 -3.652 -0.578 2.648 1350TIP3 OH246829 -3.460 -0.069 3.074 1350TIP3 H146830 -3.492 -0.094 3.162 1350TIP3 H246831 -3.539 -0.091 3.021 1350TIP3 OH246832 -3.204 -0.166 2.960 1350TIP3 H146833 -3.292 -0.163 3.001 1350TIP3 H246834 -3.158 -0.230 3.018 1350TIP3 OH246835 -3.019 -0.317 3.133 1350TIP3 H146836 -3.036 -0.413 3.148 1350TIP3 H246837 -3.039 -0.278 3.220 1351TIP3 OH246838 -4.018 -0.174 3.076 1351TIP3 H146839 -4.016 -0.249 3.014 1351TIP3 H246840 -4.030 -0.220 3.162 1351TIP3 OH246841 -3.595 -0.577 2.977 1351TIP3 H146842 -3.542 -0.659 2.982 1351TIP3 H246843 -3.604 -0.570 2.880 1351TIP3 OH246844 -3.504 -0.390 3.162 1351TIP3 H146845 -3.529 -0.452 3.091 1351TIP3 H246846 -3.579 -0.329 3.163 1351TIP3 OH246847 -3.600 1.311 1.511 1351TIP3 H146848 -3.504 1.323 1.522 1351TIP3 H246849 -3.614 1.356 1.426 1351TIP3 OH246850 -4.199 0.801 1.421 1351TIP3 H146851 -4.119 0.793 1.476 1351TIP3 H246852 -4.215 0.709 1.395 1351TIP3 OH246853 -4.299 1.087 2.146 1351TIP3 H146854 -4.281 0.996 2.179 1351TIP3 H246855 -4.242 1.135 2.208 1351TIP3 OH246856 -2.516 1.197 2.438 1351TIP3 H146857 -2.500 1.198 2.533 1351TIP3 H246858 -2.432 1.229 2.403 1351TIP3 OH246859 -2.526 1.144 2.724 1351TIP3 H146860 -2.578 1.069 2.690 1351TIP3 H246861 -2.471 1.099 2.790 1351TIP3 OH246862 -2.725 0.686 3.154 1351TIP3 H146863 -2.814 0.693 3.193 1351TIP3 H246864 -2.681 0.766 3.186 1351TIP3 OH246865 -2.586 0.592 1.734 1351TIP3 H146866 -2.491 0.616 1.741 1351TIP3 H246867 -2.587 0.512 1.788 1352TIP3 OH246868 -2.498 0.367 1.982 1352TIP3 H146869 -2.586 0.336 1.954 1352TIP3 H246870 -2.502 0.340 2.074 1352TIP3 OH246871 -2.561 0.617 2.426 1352TIP3 H146872 -2.501 0.573 2.363 1352TIP3 H246873 -2.556 0.709 2.395 1352TIP3 OH246874 -2.696 0.913 2.647 1352TIP3 H146875 -2.768 0.955 2.698 1352TIP3 H246876 -2.743 0.879 2.569 1352TIP3 OH246877 -2.536 0.318 1.602 1352TIP3 H146878 -2.555 0.332 1.508 1352TIP3 H246879 -2.491 0.400 1.624 1352TIP3 OH246880 -2.698 0.084 1.398 1352TIP3 H146881 -2.645 0.126 1.328 1352TIP3 H246882 -2.704 -0.007 1.366 1352TIP3 OH246883 -2.735 0.191 2.006 1352TIP3 H146884 -2.746 0.098 1.980 1352TIP3 H246885 -2.781 0.195 2.091 1352TIP3 OH246886 -4.254 0.439 2.406 1352TIP3 H146887 -4.224 0.455 2.316 1352TIP3 H246888 -4.175 0.395 2.444 1352TIP3 OH246889 -2.686 0.378 2.917 1352TIP3 H146890 -2.614 0.316 2.939 1352TIP3 H246891 -2.640 0.462 2.905 1352TIP3 OH246892 -2.530 0.189 3.040 1352TIP3 H146893 -2.609 0.136 3.020 1352TIP3 H246894 -2.460 0.121 3.040 1352TIP3 OH246895 -2.739 -0.203 1.360 1352TIP3 H146896 -2.669 -0.259 1.395 1352TIP3 H246897 -2.806 -0.269 1.341 1353TIP3 OH246898 -2.775 -0.056 1.820 1353TIP3 H146899 -2.744 -0.149 1.829 1353TIP3 H246900 -2.697 -0.017 1.777 1353TIP3 OH246901 -2.737 0.000 2.367 1353TIP3 H146902 -2.640 0.001 2.364 1353TIP3 H246903 -2.751 -0.002 2.463 1353TIP3 OH246904 -2.719 0.067 2.649 1353TIP3 H146905 -2.805 0.103 2.677 1353TIP3 H246906 -2.669 0.147 2.628 1353TIP3 OH246907 -4.285 -0.070 3.010 1353TIP3 H146908 -4.196 -0.108 3.015 1353TIP3 H246909 -4.343 -0.145 3.032 1353TIP3 OH246910 -2.464 -0.518 3.179 1353TIP3 H146911 -2.422 -0.588 3.125 1353TIP3 H246912 -2.461 -0.441 3.120 1353TIP3 OH246913 -2.713 -0.333 1.827 1353TIP3 H146914 -2.701 -0.373 1.914 1353TIP3 H246915 -2.785 -0.386 1.789 1353TIP3 OH246916 -4.194 -0.213 2.322 1353TIP3 H146917 -4.161 -0.304 2.327 1353TIP3 H246918 -4.115 -0.161 2.344 1353TIP3 OH246919 -4.332 0.047 2.412 1353TIP3 H146920 -4.294 -0.010 2.344 1353TIP3 H246921 -4.304 0.134 2.382 1353TIP3 OH246922 -2.526 -0.313 3.002 1353TIP3 H146923 -2.614 -0.273 3.009 1353TIP3 H246924 -2.539 -0.369 2.924 1353TIP3 OH246925 -4.315 -0.341 1.763 1353TIP3 H146926 -4.399 -0.311 1.726 1353TIP3 H246927 -4.255 -0.269 1.731 1354TIP3 OH246928 -2.828 1.205 2.018 1354TIP3 H146929 -2.782 1.180 1.936 1354TIP3 H246930 -2.755 1.241 2.070 1354TIP3 OH246931 -4.294 -0.442 2.598 1354TIP3 H146932 -4.360 -0.453 2.671 1354TIP3 H246933 -4.343 -0.397 2.527 1354TIP3 OH246934 -4.121 0.910 3.068 1354TIP3 H146935 -4.168 0.844 3.016 1354TIP3 H246936 -4.133 0.875 3.159 1354TIP3 OH246937 -3.802 0.974 2.659 1354TIP3 H146938 -3.831 1.059 2.622 1354TIP3 H246939 -3.706 0.981 2.641 1354TIP3 OH246940 -3.353 1.106 2.959 1354TIP3 H146941 -3.338 1.086 3.053 1354TIP3 H246942 -3.268 1.148 2.934 1354TIP3 OH246943 -3.123 1.249 2.882 1354TIP3 H146944 -3.053 1.185 2.861 1354TIP3 H246945 -3.092 1.281 2.969 1354TIP3 OH246946 -2.644 -0.491 2.801 1354TIP3 H146947 -2.722 -0.468 2.747 1354TIP3 H246948 -2.622 -0.581 2.767 1354TIP3 OH246949 -4.066 1.288 2.680 1354TIP3 H146950 -4.139 1.332 2.633 1354TIP3 H246951 -4.102 1.280 2.768 1354TIP3 OH246952 -3.812 1.247 2.554 1354TIP3 H146953 -3.901 1.266 2.591 1354TIP3 H246954 -3.806 1.309 2.479 1354TIP3 OH246955 -3.349 1.246 2.506 1354TIP3 H146956 -3.381 1.290 2.425 1354TIP3 H246957 -3.331 1.322 2.565 1355TIP3 OH246958 -3.109 1.118 2.593 1355TIP3 H146959 -3.194 1.154 2.562 1355TIP3 H246960 -3.052 1.196 2.592 1355TIP3 OH246961 -2.856 1.290 2.612 1355TIP3 H146962 -2.859 1.386 2.591 1355TIP3 H246963 -2.826 1.254 2.526 1355TIP3 OH246964 -4.124 1.153 2.379 1355TIP3 H146965 -4.134 1.107 2.465 1355TIP3 H246966 -4.047 1.106 2.341 1355TIP3 OH246967 -3.911 1.028 2.233 1355TIP3 H146968 -3.926 0.935 2.259 1355TIP3 H246969 -3.819 1.043 2.263 1355TIP3 OH246970 -3.632 1.070 2.318 1355TIP3 H146971 -3.613 0.977 2.294 1355TIP3 H246972 -3.623 1.066 2.414 1355TIP3 OH246973 -3.297 -0.340 2.240 1355TIP3 H146974 -3.363 -0.409 2.264 1355TIP3 H246975 -3.235 -0.391 2.185 1355TIP3 OH246976 -2.806 -0.589 2.275 1355TIP3 H146977 -2.724 -0.542 2.250 1355TIP3 H246978 -2.875 -0.531 2.239 1355TIP3 OH246979 -2.595 -0.429 2.087 1355TIP3 H146980 -2.527 -0.475 2.033 1355TIP3 H246981 -2.560 -0.338 2.089 1355TIP3 OH246982 -4.106 -0.483 1.999 1355TIP3 H146983 -4.180 -0.513 1.944 1355TIP3 H246984 -4.045 -0.559 1.992 1355TIP3 OH246985 -4.182 -0.523 1.583 1355TIP3 H146986 -4.130 -0.457 1.533 1355TIP3 H246987 -4.233 -0.465 1.643 1356TIP3 OH246988 -3.613 -0.481 1.988 1356TIP3 H146989 -3.519 -0.463 1.979 1356TIP3 H246990 -3.620 -0.493 2.083 1356TIP3 OH246991 -3.049 -0.491 2.135 1356TIP3 H146992 -3.042 -0.491 2.039 1356TIP3 H246993 -3.092 -0.576 2.154 1356TIP3 OH246994 -2.954 -0.479 1.742 1356TIP3 H146995 -3.033 -0.446 1.698 1356TIP3 H246996 -2.972 -0.575 1.747 1356TIP3 OH246997 -4.200 1.081 1.694 1356TIP3 H146998 -4.248 1.061 1.613 1356TIP3 H246999 -4.182 1.176 1.683 1356TIP3 OH247000 -4.006 -0.337 1.441 1356TIP3 H147001 -3.949 -0.391 1.384 1356TIP3 H247002 -3.941 -0.307 1.508 1356TIP3 OH247003 -3.446 -0.313 1.659 1356TIP3 H147004 -3.464 -0.379 1.728 1356TIP3 H247005 -3.469 -0.231 1.706 1356TIP3 OH247006 -3.295 1.258 1.520 1356TIP3 H147007 -3.197 1.258 1.516 1356TIP3 H247008 -3.314 1.192 1.451 1356TIP3 OH247009 -2.648 1.162 1.779 1356TIP3 H147010 -2.667 1.077 1.734 1356TIP3 H247011 -2.642 1.221 1.702 1356TIP3 OH247012 -4.079 -0.440 2.958 1356TIP3 H147013 -4.125 -0.518 2.993 1356TIP3 H247014 -3.987 -0.461 2.982 1356TIP3 OH247015 -3.841 -0.507 3.132 1356TIP3 H147016 -3.760 -0.544 3.091 1356TIP3 H247017 -3.877 -0.586 3.174 1357TIP3 OH247018 -4.013 1.178 1.385 1357TIP3 H147019 -4.037 1.200 1.476 1357TIP3 H247020 -3.941 1.113 1.397 1357TIP3 OH247021 -3.031 -0.598 3.146 1357TIP3 H147022 -3.028 -0.638 3.235 1357TIP3 H247023 -2.937 -0.600 3.121 1357TIP3 OH247024 -2.691 1.038 3.013 1357TIP3 H147025 -2.767 1.018 2.956 1357TIP3 H247026 -2.711 1.131 3.037 1357TIP3 OH247027 -1.392 0.352 2.317 1357TIP3 H147028 -1.394 0.321 2.409 1357TIP3 H247029 -1.430 0.273 2.274 1357TIP3 OH247030 -2.142 0.311 2.499 1357TIP3 H147031 -2.151 0.235 2.559 1357TIP3 H247032 -2.073 0.362 2.544 1357TIP3 OH247033 -0.994 0.631 2.183 1357TIP3 H147034 -1.013 0.555 2.239 1357TIP3 H247035 -0.948 0.690 2.243 1357TIP3 OH247036 -2.066 0.764 2.360 1357TIP3 H147037 -2.100 0.678 2.331 1357TIP3 H247038 -1.973 0.745 2.378 1357TIP3 OH247039 -2.377 0.129 1.910 1357TIP3 H147040 -2.434 0.202 1.881 1357TIP3 H247041 -2.422 0.054 1.866 1357TIP3 OH247042 -1.314 1.155 2.221 1357TIP3 H147043 -1.268 1.079 2.182 1357TIP3 H247044 -1.335 1.125 2.310 1357TIP3 OH247045 -0.664 -0.265 2.467 1357TIP3 H147046 -0.671 -0.200 2.540 1357TIP3 H247047 -0.711 -0.225 2.393 1358TIP3 OH247048 -1.207 0.028 2.432 1358TIP3 H147049 -1.223 -0.066 2.451 1358TIP3 H247050 -1.233 0.035 2.339 1358TIP3 OH247051 -1.923 -0.164 2.152 1358TIP3 H147052 -1.891 -0.088 2.102 1358TIP3 H247053 -1.943 -0.226 2.079 1358TIP3 OH247054 -2.236 0.157 2.176 1358TIP3 H147055 -2.191 0.106 2.246 1358TIP3 H247056 -2.252 0.086 2.110 1358TIP3 OH247057 -1.713 0.249 2.161 1358TIP3 H147058 -1.644 0.187 2.192 1358TIP3 H247059 -1.763 0.190 2.101 1358TIP3 OH247060 -0.607 -0.100 2.691 1358TIP3 H147061 -0.676 -0.031 2.684 1358TIP3 H247062 -0.607 -0.115 2.787 1358TIP3 OH247063 -2.031 -0.279 2.565 1358TIP3 H147064 -2.076 -0.237 2.490 1358TIP3 H247065 -2.098 -0.270 2.635 1358TIP3 OH247066 -2.078 -0.071 2.356 1358TIP3 H147067 -2.006 -0.023 2.401 1358TIP3 H247068 -2.026 -0.113 2.283 1358TIP3 OH247069 -1.896 0.662 2.637 1358TIP3 H147070 -1.926 0.750 2.608 1358TIP3 H247071 -1.979 0.628 2.674 1358TIP3 OH247072 -2.319 0.650 1.750 1358TIP3 H147073 -2.290 0.666 1.659 1358TIP3 H247074 -2.280 0.723 1.800 1358TIP3 OH247075 -0.968 0.811 2.436 1358TIP3 H147076 -1.061 0.827 2.421 1358TIP3 H247077 -0.928 0.891 2.396 1359TIP3 OH247078 -0.958 -0.299 2.569 1359TIP3 H147079 -1.029 -0.245 2.533 1359TIP3 H247080 -0.895 -0.305 2.496 1359TIP3 OH247081 -1.604 -0.529 2.278 1359TIP3 H147082 -1.628 -0.623 2.267 1359TIP3 H247083 -1.687 -0.489 2.309 1359TIP3 OH247084 -1.126 0.971 2.044 1359TIP3 H147085 -1.061 0.902 2.024 1359TIP3 H247086 -1.069 1.049 2.053 1359TIP3 OH247087 -0.846 0.665 2.784 1359TIP3 H147088 -0.844 0.600 2.711 1359TIP3 H247089 -0.823 0.748 2.739 1359TIP3 OH247090 -0.657 0.264 2.553 1359TIP3 H147091 -0.714 0.340 2.575 1359TIP3 H247092 -0.600 0.301 2.483 1359TIP3 OH247093 -1.077 0.210 2.744 1359TIP3 H147094 -1.073 0.286 2.803 1359TIP3 H247095 -1.144 0.242 2.681 1359TIP3 OH247096 -1.918 0.428 2.045 1359TIP3 H147097 -1.917 0.412 1.950 1359TIP3 H247098 -1.839 0.379 2.075 1359TIP3 OH247099 -1.746 0.746 2.324 1359TIP3 H147100 -1.775 0.739 2.231 1359TIP3 H247101 -1.653 0.722 2.317 1359TIP3 OH247102 -1.843 0.351 2.397 1359TIP3 H147103 -1.787 0.326 2.321 1359TIP3 H247104 -1.781 0.386 2.461 1359TIP3 OH247105 -1.284 0.862 2.463 1359TIP3 H147106 -1.251 0.939 2.512 1359TIP3 H247107 -1.249 0.787 2.512 1360TIP3 OH247108 -1.753 0.752 2.865 1360TIP3 H147109 -1.799 0.812 2.927 1360TIP3 H247110 -1.828 0.723 2.810 1360TIP3 OH247111 -2.062 0.395 2.779 1360TIP3 H147112 -2.059 0.444 2.864 1360TIP3 H247113 -2.157 0.372 2.776 1360TIP3 OH247114 -1.947 0.963 2.950 1360TIP3 H147115 -1.963 0.960 2.855 1360TIP3 H247116 -2.034 0.939 2.987 1360TIP3 OH247117 -2.397 0.575 2.664 1360TIP3 H147118 -2.451 0.576 2.583 1360TIP3 H247119 -2.389 0.479 2.683 1360TIP3 OH247120 -2.395 0.866 2.361 1360TIP3 H147121 -2.301 0.843 2.371 1360TIP3 H247122 -2.406 0.930 2.432 1360TIP3 OH247123 -0.556 0.933 2.938 1360TIP3 H147124 -0.563 0.839 2.917 1360TIP3 H247125 -0.648 0.954 2.966 1360TIP3 OH247126 -1.500 0.846 2.808 1360TIP3 H147127 -1.473 0.922 2.865 1360TIP3 H247128 -1.579 0.816 2.860 1360TIP3 OH247129 -2.071 1.154 1.968 1360TIP3 H147130 -2.049 1.100 2.046 1360TIP3 H247131 -2.142 1.104 1.927 1360TIP3 OH247132 -1.162 1.150 1.798 1360TIP3 H147133 -1.258 1.155 1.800 1360TIP3 H247134 -1.144 1.072 1.853 1360TIP3 OH247135 -0.877 0.064 2.977 1360TIP3 H147136 -0.931 0.101 2.905 1360TIP3 H247137 -0.873 -0.030 2.951 1361TIP3 OH247138 -2.159 0.727 2.777 1361TIP3 H147139 -2.139 0.689 2.865 1361TIP3 H247140 -2.241 0.680 2.754 1361TIP3 OH247141 -1.859 -0.423 2.371 1361TIP3 H147142 -1.932 -0.433 2.309 1361TIP3 H247143 -1.892 -0.350 2.425 1361TIP3 OH247144 -1.425 -0.455 2.738 1361TIP3 H147145 -1.371 -0.511 2.797 1361TIP3 H247146 -1.514 -0.495 2.745 1361TIP3 OH247147 -1.109 -0.083 2.784 1361TIP3 H147148 -1.171 -0.105 2.856 1361TIP3 H247149 -1.120 0.013 2.774 1361TIP3 OH247150 -1.875 0.063 2.508 1361TIP3 H147151 -1.937 0.061 2.583 1361TIP3 H247152 -1.883 0.154 2.476 1361TIP3 OH247153 -1.891 0.089 1.986 1361TIP3 H147154 -1.978 0.047 1.971 1361TIP3 H247155 -1.846 0.066 1.901 1361TIP3 OH247156 -1.404 0.140 3.007 1361TIP3 H147157 -1.453 0.064 3.046 1361TIP3 H247158 -1.316 0.128 3.048 1361TIP3 OH247159 -1.238 0.099 2.098 1361TIP3 H147160 -1.265 0.127 2.010 1361TIP3 H247161 -1.249 0.002 2.091 1361TIP3 OH247162 -2.140 0.076 2.691 1361TIP3 H147163 -2.115 0.100 2.781 1361TIP3 H247164 -2.177 -0.013 2.706 1361TIP3 OH247165 -2.456 -0.174 2.058 1361TIP3 H147166 -2.389 -0.196 2.125 1361TIP3 H247167 -2.420 -0.212 1.975 1362TIP3 OH247168 -2.276 -0.120 1.592 1362TIP3 H147169 -2.252 -0.061 1.520 1362TIP3 H247170 -2.364 -0.092 1.617 1362TIP3 OH247171 -1.336 0.226 2.595 1362TIP3 H147172 -1.290 0.157 2.542 1362TIP3 H247173 -1.370 0.171 2.668 1362TIP3 OH247174 -1.593 -0.146 2.124 1362TIP3 H147175 -1.665 -0.189 2.076 1362TIP3 H247176 -1.556 -0.220 2.173 1362TIP3 OH247177 -2.142 -0.058 1.964 1362TIP3 H147178 -2.226 -0.048 1.916 1362TIP3 H247179 -2.106 -0.139 1.922 1362TIP3 OH247180 -1.776 0.034 1.739 1362TIP3 H147181 -1.721 -0.046 1.723 1362TIP3 H247182 -1.792 0.065 1.649 1362TIP3 OH247183 -0.873 1.313 3.066 1362TIP3 H147184 -0.849 1.359 2.984 1362TIP3 H247185 -0.803 1.344 3.126 1362TIP3 OH247186 -2.072 0.576 3.010 1362TIP3 H147187 -2.008 0.584 3.084 1362TIP3 H247188 -2.155 0.575 3.062 1362TIP3 OH247189 -1.488 0.086 2.290 1362TIP3 H147190 -1.469 0.024 2.217 1362TIP3 H247191 -1.519 0.022 2.358 1362TIP3 OH247192 -1.965 -0.278 1.889 1362TIP3 H147193 -2.013 -0.361 1.878 1362TIP3 H247194 -1.884 -0.296 1.838 1362TIP3 OH247195 -1.600 -0.071 2.501 1362TIP3 H147196 -1.685 -0.025 2.509 1362TIP3 H247197 -1.556 -0.052 2.585 1363TIP3 OH247198 -0.870 0.474 2.568 1363TIP3 H147199 -0.815 0.525 2.505 1363TIP3 H247200 -0.954 0.465 2.518 1363TIP3 OH247201 -2.106 0.464 2.239 1363TIP3 H147202 -2.023 0.474 2.188 1363TIP3 H247203 -2.075 0.412 2.315 1363TIP3 OH247204 -2.351 0.327 2.804 1363TIP3 H147205 -2.337 0.285 2.891 1363TIP3 H247206 -2.414 0.267 2.761 1363TIP3 OH247207 -1.654 0.285 2.997 1363TIP3 H147208 -1.694 0.245 2.918 1363TIP3 H247209 -1.564 0.249 2.995 1363TIP3 OH247210 -1.208 0.806 2.777 1363TIP3 H147211 -1.299 0.838 2.777 1363TIP3 H247212 -1.175 0.843 2.862 1363TIP3 OH247213 -0.606 0.627 2.934 1363TIP3 H147214 -0.698 0.653 2.914 1363TIP3 H247215 -0.569 0.614 2.844 1363TIP3 OH247216 -1.107 0.417 2.384 1363TIP3 H147217 -1.196 0.379 2.377 1363TIP3 H247218 -1.055 0.345 2.341 1363TIP3 OH247219 -1.837 0.839 2.035 1363TIP3 H147220 -1.780 0.882 1.970 1363TIP3 H247221 -1.920 0.836 1.985 1363TIP3 OH247222 -2.239 0.347 1.526 1363TIP3 H147223 -2.161 0.386 1.484 1363TIP3 H247224 -2.295 0.333 1.449 1363TIP3 OH247225 -1.626 1.002 2.600 1363TIP3 H147226 -1.591 1.087 2.567 1363TIP3 H247227 -1.578 0.996 2.684 1364TIP3 OH247228 -1.336 0.588 2.583 1364TIP3 H147229 -1.294 0.580 2.670 1364TIP3 H247230 -1.269 0.542 2.530 1364TIP3 OH247231 -1.008 1.057 2.797 1364TIP3 H147232 -1.083 1.019 2.748 1364TIP3 H247233 -0.990 1.138 2.746 1364TIP3 OH247234 -2.220 -0.205 2.765 1364TIP3 H147235 -2.312 -0.182 2.740 1364TIP3 H247236 -2.233 -0.292 2.806 1364TIP3 OH247237 -2.241 0.966 2.607 1364TIP3 H147238 -2.211 0.877 2.630 1364TIP3 H247239 -2.228 1.012 2.691 1364TIP3 OH247240 -1.313 -0.211 2.601 1364TIP3 H147241 -1.248 -0.199 2.671 1364TIP3 H247242 -1.363 -0.289 2.632 1364TIP3 OH247243 -1.467 0.023 2.755 1364TIP3 H147244 -1.465 0.062 2.845 1364TIP3 H247245 -1.429 -0.064 2.773 1364TIP3 OH247246 -0.854 -0.185 2.843 1364TIP3 H147247 -0.950 -0.177 2.830 1364TIP3 H247248 -0.829 -0.215 2.754 1364TIP3 OH247249 -1.006 0.202 2.239 1364TIP3 H147250 -1.071 0.159 2.181 1364TIP3 H247251 -0.948 0.126 2.260 1364TIP3 OH247252 -0.903 1.085 2.390 1364TIP3 H147253 -0.919 1.166 2.337 1364TIP3 H247254 -0.809 1.099 2.411 1364TIP3 OH247255 -2.146 -0.466 2.287 1364TIP3 H147256 -2.159 -0.470 2.189 1364TIP3 H247257 -2.178 -0.553 2.315 1365TIP3 OH247258 -2.247 0.879 1.918 1365TIP3 H147259 -2.328 0.929 1.933 1365TIP3 H247260 -2.210 0.926 1.842 1365TIP3 OH247261 -2.308 1.171 3.025 1365TIP3 H147262 -2.254 1.147 3.103 1365TIP3 H247263 -2.351 1.086 3.003 1365TIP3 OH247264 -1.842 1.081 3.205 1365TIP3 H147265 -1.775 1.016 3.230 1365TIP3 H247266 -1.864 1.052 3.115 1365TIP3 OH247267 -1.191 0.902 3.060 1365TIP3 H147268 -1.231 0.825 3.105 1365TIP3 H247269 -1.125 0.930 3.126 1365TIP3 OH247270 -2.314 0.536 3.139 1365TIP3 H147271 -2.307 0.445 3.109 1365TIP3 H247272 -2.392 0.567 3.089 1365TIP3 OH247273 -1.650 0.559 3.074 1365TIP3 H147274 -1.683 0.586 2.987 1365TIP3 H247275 -1.634 0.463 3.061 1365TIP3 OH247276 -1.129 0.528 2.803 1365TIP3 H147277 -1.037 0.557 2.790 1365TIP3 H247278 -1.170 0.614 2.825 1365TIP3 OH247279 -2.228 0.252 3.057 1365TIP3 H147280 -2.158 0.184 3.058 1365TIP3 H247281 -2.235 0.272 3.151 1365TIP3 OH247282 -1.860 0.161 2.802 1365TIP3 H147283 -1.917 0.236 2.828 1365TIP3 H247284 -1.805 0.201 2.733 1365TIP3 OH247285 -1.332 0.432 3.156 1365TIP3 H147286 -1.240 0.412 3.133 1365TIP3 H247287 -1.358 0.350 3.201 1366TIP3 OH247288 -1.803 -0.108 2.915 1366TIP3 H147289 -1.799 -0.176 2.845 1366TIP3 H247290 -1.829 -0.029 2.864 1366TIP3 OH247291 -1.774 -0.255 2.663 1366TIP3 H147292 -1.721 -0.217 2.591 1366TIP3 H247293 -1.863 -0.262 2.624 1366TIP3 OH247294 -1.632 0.308 2.671 1366TIP3 H147295 -1.542 0.279 2.646 1366TIP3 H247296 -1.636 0.398 2.641 1366TIP3 OH247297 -1.158 0.077 3.176 1366TIP3 H147298 -1.140 -0.016 3.194 1366TIP3 H247299 -1.069 0.114 3.175 1366TIP3 OH247300 -1.061 0.356 3.023 1366TIP3 H147301 -1.095 0.419 2.957 1366TIP3 H247302 -0.970 0.341 2.990 1366TIP3 OH247303 -1.983 0.078 3.089 1366TIP3 H147304 -2.038 -0.002 3.097 1366TIP3 H247305 -1.901 0.041 3.052 1366TIP3 OH247306 -1.699 -0.527 2.697 1366TIP3 H147307 -1.717 -0.433 2.680 1366TIP3 H247308 -1.766 -0.571 2.640 1366TIP3 OH247309 -1.575 -0.067 3.073 1366TIP3 H147310 -1.606 -0.093 3.162 1366TIP3 H247311 -1.655 -0.092 3.021 1366TIP3 OH247312 -1.319 -0.164 2.961 1366TIP3 H147313 -1.408 -0.166 3.001 1366TIP3 H247314 -1.272 -0.230 3.016 1366TIP3 OH247315 -1.133 -0.317 3.133 1366TIP3 H147316 -1.149 -0.412 3.146 1366TIP3 H247317 -1.154 -0.277 3.219 1367TIP3 OH247318 -2.117 -0.177 3.078 1367TIP3 H147319 -2.126 -0.249 3.013 1367TIP3 H247320 -2.139 -0.225 3.161 1367TIP3 OH247321 -1.714 -0.578 2.977 1367TIP3 H147322 -1.656 -0.656 2.982 1367TIP3 H247323 -1.717 -0.565 2.881 1367TIP3 OH247324 -1.619 -0.390 3.161 1367TIP3 H147325 -1.647 -0.451 3.090 1367TIP3 H247326 -1.693 -0.327 3.165 1367TIP3 OH247327 -1.674 1.264 1.510 1367TIP3 H147328 -1.587 1.302 1.525 1367TIP3 H247329 -1.711 1.329 1.448 1367TIP3 OH247330 -2.291 0.741 1.451 1367TIP3 H147331 -2.193 0.741 1.449 1367TIP3 H247332 -2.303 0.664 1.392 1367TIP3 OH247333 -2.427 1.273 1.941 1367TIP3 H147334 -2.496 1.232 1.884 1367TIP3 H247335 -2.412 1.202 2.006 1367TIP3 OH247336 -2.386 1.074 2.138 1367TIP3 H147337 -2.413 0.986 2.168 1367TIP3 H247338 -2.348 1.109 2.220 1367TIP3 OH247339 -0.632 1.203 2.440 1367TIP3 H147340 -0.606 1.192 2.533 1367TIP3 H247341 -0.547 1.223 2.397 1367TIP3 OH247342 -0.642 1.160 2.735 1367TIP3 H147343 -0.691 1.085 2.696 1367TIP3 H247344 -0.583 1.111 2.794 1367TIP3 OH247345 -0.841 0.689 3.152 1367TIP3 H147346 -0.928 0.694 3.196 1367TIP3 H247347 -0.795 0.766 3.186 1368TIP3 OH247348 -0.680 0.618 2.421 1368TIP3 H147349 -0.621 0.570 2.361 1368TIP3 H247350 -0.661 0.710 2.397 1368TIP3 OH247351 -0.804 0.919 2.655 1368TIP3 H147352 -0.877 0.958 2.707 1368TIP3 H247353 -0.850 0.882 2.578 1368TIP3 OH247354 -2.376 0.395 2.358 1368TIP3 H147355 -2.330 0.381 2.275 1368TIP3 H247356 -2.300 0.384 2.418 1368TIP3 OH247357 -0.800 0.379 2.917 1368TIP3 H147358 -0.729 0.315 2.939 1368TIP3 H247359 -0.750 0.461 2.905 1368TIP3 OH247360 -0.647 0.189 3.044 1368TIP3 H147361 -0.724 0.132 3.021 1368TIP3 H247362 -0.574 0.125 3.040 1368TIP3 OH247363 -0.841 -0.013 2.374 1368TIP3 H147364 -0.765 0.045 2.367 1368TIP3 H247365 -0.870 0.004 2.466 1368TIP3 OH247366 -0.836 0.067 2.646 1368TIP3 H147367 -0.922 0.102 2.678 1368TIP3 H247368 -0.786 0.149 2.629 1368TIP3 OH247369 -2.384 -0.057 3.016 1368TIP3 H147370 -2.291 -0.085 3.022 1368TIP3 H247371 -2.430 -0.143 3.023 1368TIP3 OH247372 -0.587 -0.533 3.186 1368TIP3 H147373 -0.539 -0.599 3.132 1368TIP3 H247374 -0.579 -0.453 3.131 1368TIP3 OH247375 -2.310 -0.226 2.303 1368TIP3 H147376 -2.264 -0.312 2.301 1368TIP3 H247377 -2.238 -0.166 2.329 1369TIP3 OH247378 -2.451 0.044 2.404 1369TIP3 H147379 -2.400 0.029 2.324 1369TIP3 H247380 -2.412 0.124 2.441 1369TIP3 OH247381 -0.641 -0.320 3.011 1369TIP3 H147382 -0.729 -0.278 3.012 1369TIP3 H247383 -0.649 -0.373 2.930 1369TIP3 OH247384 -2.403 -0.290 1.810 1369TIP3 H147385 -2.488 -0.327 1.780 1369TIP3 H247386 -2.348 -0.310 1.732 1369TIP3 OH247387 -0.934 1.187 2.018 1369TIP3 H147388 -0.892 1.171 1.931 1369TIP3 H247389 -0.867 1.241 2.061 1369TIP3 OH247390 -2.400 -0.431 2.626 1369TIP3 H147391 -2.471 -0.466 2.681 1369TIP3 H247392 -2.450 -0.384 2.557 1369TIP3 OH247393 -2.200 0.869 3.081 1369TIP3 H147394 -2.280 0.877 3.025 1369TIP3 H247395 -2.237 0.868 3.170 1369TIP3 OH247396 -1.915 0.956 2.650 1369TIP3 H147397 -1.958 1.039 2.622 1369TIP3 H247398 -1.821 0.980 2.637 1369TIP3 OH247399 -1.461 1.091 2.951 1369TIP3 H147400 -1.455 1.083 3.048 1369TIP3 H247401 -1.383 1.147 2.932 1369TIP3 OH247402 -1.238 1.247 2.882 1369TIP3 H147403 -1.166 1.185 2.863 1369TIP3 H247404 -1.210 1.282 2.968 1369TIP3 OH247405 -0.758 -0.493 2.803 1369TIP3 H147406 -0.838 -0.480 2.750 1369TIP3 H247407 -0.730 -0.581 2.771 1370TIP3 OH247408 -2.180 1.266 2.691 1370TIP3 H147409 -2.238 1.330 2.646 1370TIP3 H247410 -2.211 1.275 2.782 1370TIP3 OH247411 -1.926 1.240 2.546 1370TIP3 H147412 -2.012 1.259 2.589 1370TIP3 H247413 -1.923 1.310 2.478 1370TIP3 OH247414 -1.455 1.244 2.501 1370TIP3 H147415 -1.493 1.288 2.422 1370TIP3 H247416 -1.447 1.320 2.562 1370TIP3 OH247417 -1.221 1.113 2.586 1370TIP3 H147418 -1.306 1.154 2.559 1370TIP3 H247419 -1.163 1.191 2.590 1370TIP3 OH247420 -0.967 1.291 2.617 1370TIP3 H147421 -0.972 1.386 2.595 1370TIP3 H247422 -0.936 1.256 2.532 1370TIP3 OH247423 -2.223 1.149 2.386 1370TIP3 H147424 -2.224 1.099 2.471 1370TIP3 H247425 -2.148 1.105 2.340 1370TIP3 OH247426 -2.023 1.022 2.239 1370TIP3 H147427 -2.034 0.927 2.259 1370TIP3 H247428 -1.930 1.038 2.261 1370TIP3 OH247429 -1.741 1.070 2.315 1370TIP3 H147430 -1.725 0.977 2.295 1370TIP3 H247431 -1.747 1.070 2.412 1370TIP3 OH247432 -0.877 -0.482 2.243 1370TIP3 H147433 -0.823 -0.489 2.163 1370TIP3 H247434 -0.964 -0.516 2.215 1370TIP3 OH247435 -2.188 -0.476 2.013 1370TIP3 H147436 -2.260 -0.479 1.946 1370TIP3 H247437 -2.132 -0.548 1.981 1371TIP3 OH247438 -1.734 -0.475 1.997 1371TIP3 H147439 -1.650 -0.451 1.956 1371TIP3 H247440 -1.707 -0.511 2.083 1371TIP3 OH247441 -1.153 -0.555 2.196 1371TIP3 H147442 -1.183 -0.501 2.123 1371TIP3 H247443 -1.222 -0.624 2.199 1371TIP3 OH247444 -2.277 1.078 1.715 1371TIP3 H147445 -2.333 1.057 1.638 1371TIP3 H247446 -2.281 1.175 1.713 1371TIP3 OH247447 -0.767 1.120 1.763 1371TIP3 H147448 -0.779 1.052 1.697 1371TIP3 H247449 -0.757 1.199 1.706 1371TIP3 OH247450 -2.196 -0.445 2.958 1371TIP3 H147451 -2.237 -0.527 2.992 1371TIP3 H247452 -2.103 -0.460 2.982 1371TIP3 OH247453 -1.957 -0.507 3.131 1371TIP3 H147454 -1.875 -0.543 3.090 1371TIP3 H247455 -1.992 -0.587 3.173 1371TIP3 OH247456 -2.148 1.175 1.391 1371TIP3 H147457 -2.157 1.197 1.485 1371TIP3 H247458 -2.068 1.119 1.390 1371TIP3 OH247459 -1.146 -0.596 3.147 1371TIP3 H147460 -1.141 -0.637 3.235 1371TIP3 H247461 -1.053 -0.600 3.118 1371TIP3 OH247462 -0.808 1.036 3.015 1371TIP3 H147463 -0.885 1.018 2.958 1371TIP3 H247464 -0.825 1.129 3.039 1371TIP3 OH247465 0.633 0.396 2.034 1371TIP3 H147466 0.647 0.491 2.037 1371TIP3 H247467 0.567 0.389 1.964 1372TIP3 OH247468 0.489 0.349 2.333 1372TIP3 H147469 0.496 0.294 2.413 1372TIP3 H247470 0.474 0.282 2.264 1372TIP3 OH247471 -0.261 0.313 2.502 1372TIP3 H147472 -0.259 0.237 2.563 1372TIP3 H247473 -0.187 0.366 2.536 1372TIP3 OH247474 0.866 0.626 2.164 1372TIP3 H147475 0.829 0.552 2.214 1372TIP3 H247476 0.891 0.687 2.234 1372TIP3 OH247477 -0.194 0.763 2.352 1372TIP3 H147478 -0.213 0.672 2.322 1372TIP3 H247479 -0.099 0.757 2.371 1372TIP3 OH247480 0.575 1.160 2.226 1372TIP3 H147481 0.631 1.086 2.195 1372TIP3 H247482 0.544 1.127 2.311 1372TIP3 OH247483 0.344 0.598 2.395 1372TIP3 H147484 0.378 0.529 2.335 1372TIP3 H247485 0.426 0.615 2.445 1372TIP3 OH247486 1.214 -0.250 2.459 1372TIP3 H147487 1.236 -0.186 2.529 1372TIP3 H247488 1.272 -0.219 2.387 1372TIP3 OH247489 0.673 0.035 2.437 1372TIP3 H147490 0.686 -0.062 2.443 1372TIP3 H247491 0.665 0.046 2.341 1372TIP3 OH247492 -0.011 -0.138 2.151 1372TIP3 H147493 -0.012 -0.079 2.076 1372TIP3 H247494 0.008 -0.226 2.111 1372TIP3 OH247495 0.766 -0.134 1.986 1372TIP3 H147496 0.827 -0.189 2.038 1372TIP3 H247497 0.820 -0.105 1.912 1373TIP3 OH247498 0.155 0.222 2.121 1373TIP3 H147499 0.236 0.186 2.162 1373TIP3 H247500 0.100 0.143 2.116 1373TIP3 OH247501 1.287 -0.109 2.707 1373TIP3 H147502 1.226 -0.039 2.677 1373TIP3 H247503 1.261 -0.116 2.800 1373TIP3 OH247504 -0.151 -0.271 2.552 1373TIP3 H147505 -0.182 -0.209 2.484 1373TIP3 H247506 -0.215 -0.256 2.624 1373TIP3 OH247507 0.603 0.691 1.896 1373TIP3 H147508 0.576 0.674 1.804 1373TIP3 H247509 0.552 0.771 1.916 1373TIP3 OH247510 0.142 0.500 2.578 1373TIP3 H147511 0.072 0.563 2.603 1373TIP3 H247512 0.208 0.559 2.536 1373TIP3 OH247513 0.958 -0.238 2.188 1373TIP3 H147514 0.899 -0.282 2.250 1373TIP3 H247515 0.989 -0.162 2.241 1373TIP3 OH247516 -0.184 -0.074 2.346 1373TIP3 H147517 -0.122 -0.017 2.396 1373TIP3 H247518 -0.119 -0.110 2.280 1373TIP3 OH247519 -0.058 0.688 2.651 1373TIP3 H147520 -0.058 0.780 2.620 1373TIP3 H247521 -0.143 0.686 2.700 1373TIP3 OH247522 0.921 0.804 2.421 1373TIP3 H147523 0.824 0.815 2.421 1373TIP3 H247524 0.948 0.889 2.382 1373TIP3 OH247525 0.953 -0.305 2.572 1373TIP3 H147526 0.874 -0.270 2.525 1373TIP3 H247527 1.024 -0.290 2.507 1374TIP3 OH247528 0.269 -0.532 2.288 1374TIP3 H147529 0.249 -0.621 2.255 1374TIP3 H247530 0.180 -0.492 2.290 1374TIP3 OH247531 0.755 0.994 2.076 1374TIP3 H147532 0.798 0.915 2.038 1374TIP3 H247533 0.820 1.064 2.055 1374TIP3 OH247534 0.900 0.774 1.906 1374TIP3 H147535 0.833 0.729 1.854 1374TIP3 H247536 0.901 0.720 1.987 1374TIP3 OH247537 1.052 0.666 2.786 1374TIP3 H147538 1.039 0.602 2.714 1374TIP3 H247539 1.061 0.750 2.737 1374TIP3 OH247540 0.511 0.368 1.742 1374TIP3 H147541 0.435 0.424 1.720 1374TIP3 H247542 0.570 0.392 1.670 1374TIP3 OH247543 1.228 0.285 2.576 1374TIP3 H147544 1.155 0.349 2.585 1374TIP3 H247545 1.274 0.321 2.498 1374TIP3 OH247546 0.810 0.210 2.748 1374TIP3 H147547 0.816 0.293 2.798 1374TIP3 H247548 0.748 0.239 2.679 1374TIP3 OH247549 -0.029 0.415 2.017 1374TIP3 H147550 -0.044 0.387 1.926 1374TIP3 H247551 0.045 0.359 2.046 1374TIP3 OH247552 0.116 0.766 2.316 1374TIP3 H147553 0.116 0.739 2.223 1374TIP3 H247554 0.199 0.727 2.348 1374TIP3 OH247555 0.044 0.316 2.384 1374TIP3 H147556 0.105 0.323 2.308 1374TIP3 H247557 0.084 0.379 2.447 1375TIP3 OH247558 0.640 0.866 2.447 1375TIP3 H147559 0.641 0.935 2.516 1375TIP3 H247560 0.618 0.785 2.496 1375TIP3 OH247561 0.130 0.743 2.876 1375TIP3 H147562 0.083 0.815 2.922 1375TIP3 H247563 0.068 0.723 2.803 1375TIP3 OH247564 -0.179 0.389 2.784 1375TIP3 H147565 -0.171 0.445 2.864 1375TIP3 H247566 -0.275 0.375 2.779 1375TIP3 OH247567 0.464 0.961 1.970 1375TIP3 H147568 0.517 0.995 2.042 1375TIP3 H247569 0.421 1.040 1.933 1375TIP3 OH247570 -0.062 0.966 2.954 1375TIP3 H147571 -0.071 0.970 2.858 1375TIP3 H247572 -0.149 0.935 2.985 1375TIP3 OH247573 -0.518 0.574 2.666 1375TIP3 H147574 -0.559 0.574 2.577 1375TIP3 H247575 -0.500 0.480 2.682 1375TIP3 OH247576 -0.512 0.864 2.364 1375TIP3 H147577 -0.419 0.838 2.362 1375TIP3 H247578 -0.511 0.930 2.435 1375TIP3 OH247579 1.329 0.929 2.938 1375TIP3 H147580 1.317 0.834 2.920 1375TIP3 H247581 1.238 0.953 2.966 1375TIP3 OH247582 0.395 0.857 2.823 1375TIP3 H147583 0.403 0.942 2.873 1375TIP3 H247584 0.305 0.830 2.848 1375TIP3 OH247585 0.420 1.235 1.811 1375TIP3 H147586 0.420 1.232 1.714 1375TIP3 H247587 0.432 1.328 1.832 1376TIP3 OH247588 -0.219 1.122 1.963 1376TIP3 H147589 -0.206 1.080 2.049 1376TIP3 H247590 -0.298 1.077 1.928 1376TIP3 OH247591 0.759 1.162 1.496 1376TIP3 H147592 0.806 1.090 1.452 1376TIP3 H247593 0.761 1.136 1.589 1376TIP3 OH247594 0.697 1.133 1.794 1376TIP3 H147595 0.600 1.135 1.807 1376TIP3 H247596 0.719 1.056 1.848 1376TIP3 OH247597 1.007 0.065 2.978 1376TIP3 H147598 0.956 0.105 2.906 1376TIP3 H247599 1.012 -0.028 2.950 1376TIP3 OH247600 -0.300 0.732 2.796 1376TIP3 H147601 -0.269 0.682 2.874 1376TIP3 H247602 -0.366 0.672 2.757 1376TIP3 OH247603 -0.001 -0.424 2.358 1376TIP3 H147604 -0.083 -0.430 2.306 1376TIP3 H247605 -0.026 -0.357 2.424 1376TIP3 OH247606 0.460 -0.460 2.739 1376TIP3 H147607 0.514 -0.519 2.795 1376TIP3 H247608 0.372 -0.502 2.742 1376TIP3 OH247609 0.779 -0.085 2.786 1376TIP3 H147610 0.715 -0.101 2.859 1376TIP3 H247611 0.770 0.011 2.770 1376TIP3 OH247612 -0.004 0.054 2.505 1376TIP3 H147613 -0.046 0.068 2.591 1376TIP3 H247614 0.016 0.145 2.475 1376TIP3 OH247615 0.550 0.106 1.858 1376TIP3 H147616 0.528 0.193 1.823 1376TIP3 H247617 0.611 0.070 1.792 1377TIP3 OH247618 0.482 0.142 3.013 1377TIP3 H147619 0.433 0.064 3.046 1377TIP3 H247620 0.571 0.127 3.050 1377TIP3 OH247621 0.645 0.058 2.137 1377TIP3 H147622 0.620 0.114 2.061 1377TIP3 H247623 0.670 -0.023 2.088 1377TIP3 OH247624 -0.269 0.072 2.695 1377TIP3 H147625 -0.219 0.104 2.771 1377TIP3 H247626 -0.288 -0.020 2.722 1377TIP3 OH247627 0.559 0.227 2.597 1377TIP3 H147628 0.603 0.157 2.543 1377TIP3 H247629 0.529 0.176 2.674 1377TIP3 OH247630 0.716 -0.264 2.397 1377TIP3 H147631 0.653 -0.263 2.472 1377TIP3 H247632 0.655 -0.298 2.328 1377TIP3 OH247633 1.021 1.314 3.068 1377TIP3 H147634 1.041 1.360 2.985 1377TIP3 H247635 1.092 1.346 3.126 1377TIP3 OH247636 -0.190 0.575 3.010 1377TIP3 H147637 -0.120 0.584 3.078 1377TIP3 H247638 -0.269 0.578 3.068 1377TIP3 OH247639 0.374 0.076 2.271 1377TIP3 H147640 0.448 0.036 2.224 1377TIP3 H247641 0.363 0.015 2.346 1377TIP3 OH247642 0.281 -0.075 2.507 1377TIP3 H147643 0.202 -0.019 2.509 1377TIP3 H247644 0.329 -0.049 2.589 1377TIP3 OH247645 0.252 0.565 1.675 1377TIP3 H147646 0.198 0.489 1.655 1377TIP3 H247647 0.266 0.563 1.771 1378TIP3 OH247648 1.015 0.478 2.571 1378TIP3 H147649 1.065 0.532 2.506 1378TIP3 H247650 0.931 0.463 2.523 1378TIP3 OH247651 0.451 0.566 2.828 1378TIP3 H147652 0.429 0.535 2.917 1378TIP3 H247653 0.430 0.660 2.831 1378TIP3 OH247654 -0.207 0.488 2.259 1378TIP3 H147655 -0.146 0.483 2.184 1378TIP3 H247656 -0.178 0.412 2.312 1378TIP3 OH247657 0.532 0.681 1.630 1378TIP3 H147658 0.513 0.775 1.614 1378TIP3 H247659 0.477 0.640 1.562 1378TIP3 OH247660 -0.477 0.327 2.805 1378TIP3 H147661 -0.450 0.286 2.889 1378TIP3 H247662 -0.522 0.254 2.760 1378TIP3 OH247663 0.229 0.276 3.000 1378TIP3 H147664 0.204 0.256 2.908 1378TIP3 H247665 0.323 0.249 2.999 1378TIP3 OH247666 0.683 0.817 2.778 1378TIP3 H147667 0.587 0.835 2.772 1378TIP3 H247668 0.701 0.847 2.869 1378TIP3 OH247669 1.283 0.632 2.932 1378TIP3 H147670 1.189 0.653 2.913 1378TIP3 H247671 1.315 0.613 2.842 1378TIP3 OH247672 0.784 0.415 2.401 1378TIP3 H147673 0.692 0.403 2.372 1378TIP3 H247674 0.828 0.346 2.346 1378TIP3 OH247675 0.034 0.832 2.013 1378TIP3 H147676 0.089 0.909 1.993 1378TIP3 H247677 -0.047 0.854 1.967 1379TIP3 OH247678 0.227 0.589 1.983 1379TIP3 H147679 0.210 0.684 1.974 1379TIP3 H247680 0.140 0.553 2.002 1379TIP3 OH247681 0.245 1.019 2.601 1379TIP3 H147682 0.295 1.099 2.577 1379TIP3 H247683 0.306 0.978 2.664 1379TIP3 OH247684 0.085 1.120 1.935 1379TIP3 H147685 -0.011 1.132 1.929 1379TIP3 H247686 0.116 1.211 1.952 1379TIP3 OH247687 0.587 0.598 2.557 1379TIP3 H147688 0.559 0.572 2.646 1379TIP3 H247689 0.660 0.536 2.540 1379TIP3 OH247690 0.882 1.055 2.796 1379TIP3 H147691 0.804 1.012 2.756 1379TIP3 H247692 0.888 1.137 2.745 1379TIP3 OH247693 -0.333 -0.204 2.764 1379TIP3 H147694 -0.425 -0.187 2.739 1379TIP3 H247695 -0.340 -0.294 2.803 1379TIP3 OH247696 -0.366 0.969 2.608 1379TIP3 H147697 -0.328 0.880 2.621 1379TIP3 H247698 -0.333 1.012 2.688 1379TIP3 OH247699 0.559 -0.218 2.625 1379TIP3 H147700 0.626 -0.199 2.693 1379TIP3 H247701 0.512 -0.295 2.662 1379TIP3 OH247702 0.420 0.956 1.647 1379TIP3 H147703 0.324 0.975 1.654 1379TIP3 H247704 0.444 1.003 1.567 1379TIP3 OH247705 0.398 0.013 2.760 1379TIP3 H147706 0.413 0.062 2.842 1379TIP3 H247707 0.454 -0.065 2.773 1380TIP3 OH247708 0.142 1.051 1.650 1380TIP3 H147709 0.130 1.130 1.594 1380TIP3 H247710 0.125 1.085 1.739 1380TIP3 OH247711 1.031 -0.187 2.846 1380TIP3 H147712 0.935 -0.174 2.832 1380TIP3 H247713 1.055 -0.211 2.755 1380TIP3 OH247714 0.883 0.198 2.241 1380TIP3 H147715 0.805 0.155 2.202 1380TIP3 H247716 0.931 0.123 2.282 1380TIP3 OH247717 0.984 1.082 2.387 1380TIP3 H147718 0.966 1.164 2.337 1380TIP3 H247719 1.077 1.097 2.412 1380TIP3 OH247720 -0.271 -0.442 2.267 1380TIP3 H147721 -0.287 -0.462 2.174 1380TIP3 H247722 -0.302 -0.523 2.310 1380TIP3 OH247723 -0.433 1.179 3.037 1380TIP3 H147724 -0.372 1.151 3.108 1380TIP3 H247725 -0.468 1.093 3.007 1380TIP3 OH247726 0.030 1.073 3.210 1380TIP3 H147727 0.111 1.022 3.228 1380TIP3 H247728 0.019 1.054 3.115 1380TIP3 OH247729 0.697 0.904 3.062 1380TIP3 H147730 0.653 0.826 3.100 1380TIP3 H247731 0.761 0.927 3.131 1380TIP3 OH247732 -0.433 0.536 3.142 1380TIP3 H147733 -0.420 0.446 3.107 1380TIP3 H247734 -0.507 0.567 3.086 1380TIP3 OH247735 0.228 0.553 3.077 1380TIP3 H147736 0.205 0.590 2.990 1380TIP3 H247737 0.239 0.458 3.058 1381TIP3 OH247738 0.768 0.518 2.815 1381TIP3 H147739 0.848 0.569 2.793 1381TIP3 H247740 0.701 0.588 2.811 1381TIP3 OH247741 -0.346 0.249 3.054 1381TIP3 H147742 -0.271 0.187 3.053 1381TIP3 H247743 -0.348 0.272 3.149 1381TIP3 OH247744 0.014 0.161 2.787 1381TIP3 H147745 -0.027 0.242 2.821 1381TIP3 H247746 0.090 0.197 2.738 1381TIP3 OH247747 0.552 0.434 3.158 1381TIP3 H147748 0.642 0.416 3.125 1381TIP3 H247749 0.528 0.347 3.195 1381TIP3 OH247750 0.078 -0.109 2.915 1381TIP3 H147751 0.089 -0.176 2.844 1381TIP3 H247752 0.063 -0.029 2.862 1381TIP3 OH247753 0.110 -0.255 2.660 1381TIP3 H147754 0.170 -0.214 2.594 1381TIP3 H247755 0.024 -0.257 2.613 1381TIP3 OH247756 0.265 0.283 2.701 1381TIP3 H147757 0.350 0.272 2.656 1381TIP3 H247758 0.239 0.372 2.669 1381TIP3 OH247759 0.727 0.077 3.181 1381TIP3 H147760 0.750 -0.017 3.189 1381TIP3 H247761 0.815 0.117 3.173 1381TIP3 OH247762 0.823 0.356 3.028 1381TIP3 H147763 0.790 0.417 2.959 1381TIP3 H247764 0.913 0.339 2.991 1381TIP3 OH247765 -0.101 0.079 3.091 1381TIP3 H147766 -0.152 -0.005 3.093 1381TIP3 H247767 -0.018 0.049 3.051 1382TIP3 OH247768 0.183 -0.527 2.703 1382TIP3 H147769 0.169 -0.433 2.679 1382TIP3 H247770 0.121 -0.572 2.642 1382TIP3 OH247771 0.312 -0.069 3.076 1382TIP3 H147772 0.277 -0.093 3.163 1382TIP3 H247773 0.233 -0.091 3.020 1382TIP3 OH247774 0.569 -0.163 2.963 1382TIP3 H147775 0.479 -0.163 3.001 1382TIP3 H247776 0.614 -0.230 3.018 1382TIP3 OH247777 0.751 -0.317 3.134 1382TIP3 H147778 0.737 -0.413 3.148 1382TIP3 H247779 0.733 -0.278 3.221 1382TIP3 OH247780 -0.235 -0.177 3.079 1382TIP3 H147781 -0.239 -0.249 3.013 1382TIP3 H247782 -0.254 -0.225 3.161 1382TIP3 OH247783 0.170 -0.579 2.978 1382TIP3 H147784 0.231 -0.655 2.981 1382TIP3 H247785 0.166 -0.564 2.881 1382TIP3 OH247786 0.263 -0.394 3.165 1382TIP3 H147787 0.240 -0.453 3.090 1382TIP3 H247788 0.194 -0.326 3.161 1382TIP3 OH247789 0.173 1.299 1.500 1382TIP3 H147790 0.267 1.296 1.519 1382TIP3 H247791 0.170 1.370 1.434 1382TIP3 OH247792 -0.563 1.267 1.940 1382TIP3 H147793 -0.614 1.217 1.873 1382TIP3 H247794 -0.530 1.194 1.996 1382TIP3 OH247795 -0.495 1.066 2.129 1382TIP3 H147796 -0.524 0.979 2.161 1382TIP3 H247797 -0.456 1.103 2.209 1383TIP3 OH247798 1.256 1.200 2.437 1383TIP3 H147799 1.272 1.196 2.532 1383TIP3 H247800 1.343 1.228 2.404 1383TIP3 OH247801 1.247 1.144 2.725 1383TIP3 H147802 1.193 1.070 2.690 1383TIP3 H247803 1.300 1.096 2.790 1383TIP3 OH247804 1.046 0.686 3.155 1383TIP3 H147805 0.957 0.694 3.193 1383TIP3 H247806 1.090 0.767 3.185 1383TIP3 OH247807 1.207 0.621 2.426 1383TIP3 H147808 1.264 0.572 2.364 1383TIP3 H247809 1.216 0.712 2.393 1383TIP3 OH247810 1.076 0.914 2.648 1383TIP3 H147811 1.002 0.956 2.697 1383TIP3 H247812 1.030 0.878 2.569 1383TIP3 OH247813 1.033 0.214 1.965 1383TIP3 H147814 1.020 0.119 1.952 1383TIP3 H247815 0.996 0.229 2.054 1383TIP3 OH247816 -0.488 0.395 2.351 1383TIP3 H147817 -0.451 0.407 2.262 1383TIP3 H247818 -0.405 0.382 2.401 1383TIP3 OH247819 1.085 0.378 2.920 1383TIP3 H147820 1.158 0.317 2.939 1383TIP3 H247821 1.130 0.461 2.902 1383TIP3 OH247822 1.240 0.189 3.042 1383TIP3 H147823 1.161 0.135 3.020 1383TIP3 H247824 1.311 0.121 3.040 1383TIP3 OH247825 1.018 -0.039 1.835 1383TIP3 H147826 1.017 -0.134 1.819 1383TIP3 H247827 1.069 -0.007 1.760 1384TIP3 OH247828 1.033 -0.007 2.367 1384TIP3 H147829 1.130 0.007 2.365 1384TIP3 H247830 1.017 -0.002 2.462 1384TIP3 OH247831 1.053 0.067 2.651 1384TIP3 H147832 0.966 0.103 2.676 1384TIP3 H247833 1.103 0.147 2.628 1384TIP3 OH247834 -0.501 -0.061 3.012 1384TIP3 H147835 -0.407 -0.085 3.021 1384TIP3 H247836 -0.543 -0.148 3.025 1384TIP3 OH247837 1.308 -0.519 3.179 1384TIP3 H147838 1.348 -0.588 3.124 1384TIP3 H247839 1.310 -0.441 3.120 1384TIP3 OH247840 1.084 -0.340 1.817 1384TIP3 H147841 1.062 -0.369 1.907 1384TIP3 H247842 1.009 -0.378 1.770 1384TIP3 OH247843 1.245 -0.314 3.003 1384TIP3 H147844 1.157 -0.272 3.009 1384TIP3 H247845 1.232 -0.369 2.924 1384TIP3 OH247846 0.947 1.208 2.004 1384TIP3 H147847 0.997 1.172 1.928 1384TIP3 H247848 1.018 1.236 2.063 1384TIP3 OH247849 -0.511 -0.427 2.636 1384TIP3 H147850 -0.578 -0.475 2.685 1384TIP3 H247851 -0.565 -0.393 2.561 1384TIP3 OH247852 -0.316 0.870 3.090 1384TIP3 H147853 -0.389 0.875 3.027 1384TIP3 H247854 -0.361 0.876 3.175 1384TIP3 OH247855 -0.033 0.974 2.656 1384TIP3 H147856 -0.059 1.061 2.621 1384TIP3 H247857 0.064 0.979 2.641 1385TIP3 OH247858 0.405 1.095 2.952 1385TIP3 H147859 0.385 1.118 3.044 1385TIP3 H247860 0.458 1.172 2.925 1385TIP3 OH247861 0.648 1.254 2.880 1385TIP3 H147862 0.706 1.178 2.865 1385TIP3 H247863 0.669 1.276 2.973 1385TIP3 OH247864 1.132 -0.491 2.802 1385TIP3 H147865 1.051 -0.472 2.750 1385TIP3 H247866 1.153 -0.581 2.769 1385TIP3 OH247867 -0.298 1.260 2.692 1385TIP3 H147868 -0.344 1.331 2.646 1385TIP3 H247869 -0.322 1.277 2.784 1385TIP3 OH247870 -0.044 1.244 2.543 1385TIP3 H147871 -0.125 1.269 2.591 1385TIP3 H247872 -0.034 1.315 2.477 1385TIP3 OH247873 0.428 1.243 2.500 1385TIP3 H147874 0.391 1.294 2.426 1385TIP3 H247875 0.431 1.312 2.570 1385TIP3 OH247876 0.663 1.117 2.592 1385TIP3 H147877 0.577 1.152 2.562 1385TIP3 H247878 0.716 1.198 2.594 1385TIP3 OH247879 0.920 1.291 2.614 1385TIP3 H147880 0.912 1.385 2.590 1385TIP3 H247881 0.943 1.253 2.528 1385TIP3 OH247882 -0.339 1.146 2.385 1385TIP3 H147883 -0.334 1.100 2.471 1385TIP3 H247884 -0.261 1.107 2.340 1385TIP3 OH247885 -0.139 1.025 2.235 1385TIP3 H147886 -0.143 0.929 2.253 1385TIP3 H247887 -0.045 1.044 2.256 1386TIP3 OH247888 0.138 1.070 2.318 1386TIP3 H147889 0.163 0.980 2.292 1386TIP3 H247890 0.151 1.066 2.414 1386TIP3 OH247891 0.501 -0.352 2.236 1386TIP3 H147892 0.416 -0.398 2.249 1386TIP3 H247893 0.525 -0.389 2.150 1386TIP3 OH247894 0.945 -0.542 2.276 1386TIP3 H147895 1.020 -0.499 2.233 1386TIP3 H247896 0.869 -0.517 2.220 1386TIP3 OH247897 1.235 -0.421 2.102 1386TIP3 H147898 1.214 -0.482 2.030 1386TIP3 H247899 1.183 -0.342 2.086 1386TIP3 OH247900 0.481 1.222 1.489 1386TIP3 H147901 0.579 1.226 1.484 1386TIP3 H247902 0.461 1.168 1.411 1386TIP3 OH247903 1.121 1.125 1.762 1386TIP3 H147904 1.120 1.042 1.712 1386TIP3 H247905 1.135 1.190 1.691 1386TIP3 OH247906 -0.312 -0.443 2.962 1386TIP3 H147907 -0.351 -0.528 2.991 1386TIP3 H247908 -0.218 -0.460 2.978 1386TIP3 OH247909 -0.070 -0.506 3.132 1386TIP3 H147910 0.012 -0.537 3.088 1386TIP3 H247911 -0.103 -0.590 3.169 1386TIP3 OH247912 0.740 -0.596 3.148 1386TIP3 H147913 0.745 -0.639 3.236 1386TIP3 H247914 0.833 -0.601 3.120 1386TIP3 OH247915 1.077 1.037 3.016 1386TIP3 H147916 1.003 1.017 2.955 1386TIP3 H247917 1.058 1.131 3.036 1387TIP3 OH247918 2.502 0.406 2.028 1387TIP3 H147919 2.496 0.502 2.036 1387TIP3 H247920 2.426 0.386 1.970 1387TIP3 OH247921 2.388 0.349 2.339 1387TIP3 H147922 2.380 0.292 2.418 1387TIP3 H247923 2.352 0.289 2.271 1387TIP3 OH247924 1.632 0.309 2.501 1387TIP3 H147925 1.627 0.235 2.564 1387TIP3 H247926 1.699 0.365 2.542 1387TIP3 OH247927 2.750 0.620 2.169 1387TIP3 H147928 2.711 0.548 2.221 1387TIP3 H247929 2.782 0.679 2.237 1387TIP3 OH247930 1.694 0.766 2.351 1387TIP3 H147931 1.670 0.676 2.319 1387TIP3 H247932 1.788 0.752 2.371 1387TIP3 OH247933 1.374 0.116 1.885 1387TIP3 H147934 1.333 0.201 1.908 1387TIP3 H247935 1.305 0.075 1.832 1387TIP3 OH247936 1.453 0.371 2.067 1387TIP3 H147937 1.458 0.284 2.109 1387TIP3 H247938 1.539 0.379 2.024 1387TIP3 OH247939 2.457 1.163 2.213 1387TIP3 H147940 2.513 1.087 2.190 1387TIP3 H247941 2.413 1.139 2.296 1387TIP3 OH247942 2.236 0.604 2.393 1387TIP3 H147943 2.264 0.527 2.341 1387TIP3 H247944 2.318 0.620 2.444 1387TIP3 OH247945 3.092 -0.232 2.449 1387TIP3 H147946 3.125 -0.198 2.533 1387TIP3 H247947 3.171 -0.232 2.392 1388TIP3 OH247948 2.570 0.034 2.442 1388TIP3 H147949 2.569 -0.063 2.453 1388TIP3 H247950 2.546 0.042 2.348 1388TIP3 OH247951 1.853 -0.171 2.136 1388TIP3 H147952 1.866 -0.084 2.094 1388TIP3 H247953 1.806 -0.218 2.066 1388TIP3 OH247954 2.621 -0.156 1.982 1388TIP3 H147955 2.684 -0.206 2.036 1388TIP3 H247956 2.677 -0.126 1.910 1388TIP3 OH247957 1.531 0.117 2.199 1388TIP3 H147958 1.586 0.063 2.258 1388TIP3 H247959 1.521 0.061 2.121 1388TIP3 OH247960 2.070 0.247 2.146 1388TIP3 H147961 2.132 0.185 2.189 1388TIP3 H247962 2.012 0.186 2.098 1388TIP3 OH247963 3.166 -0.104 2.696 1388TIP3 H147964 3.093 -0.040 2.684 1388TIP3 H247965 3.160 -0.117 2.792 1388TIP3 OH247966 1.736 -0.288 2.561 1388TIP3 H147967 1.699 -0.226 2.496 1388TIP3 H247968 1.671 -0.277 2.634 1388TIP3 OH247969 2.483 0.694 1.890 1388TIP3 H147970 2.436 0.669 1.811 1388TIP3 H247971 2.442 0.780 1.911 1388TIP3 OH247972 2.033 0.503 2.581 1388TIP3 H147973 1.956 0.558 2.608 1388TIP3 H247974 2.090 0.568 2.537 1388TIP3 OH247975 2.826 -0.218 2.186 1388TIP3 H147976 2.781 -0.281 2.244 1388TIP3 H247977 2.885 -0.172 2.247 1389TIP3 OH247978 1.704 -0.089 2.359 1389TIP3 H147979 1.766 -0.027 2.403 1389TIP3 H247980 1.760 -0.122 2.286 1389TIP3 OH247981 1.830 0.687 2.653 1389TIP3 H147982 1.825 0.780 2.622 1389TIP3 H247983 1.743 0.680 2.696 1389TIP3 OH247984 2.795 0.807 2.440 1389TIP3 H147985 2.703 0.787 2.420 1389TIP3 H247986 2.818 0.881 2.380 1389TIP3 OH247987 2.838 -0.303 2.572 1389TIP3 H147988 2.758 -0.272 2.527 1389TIP3 H247989 2.907 -0.292 2.504 1389TIP3 OH247990 2.152 -0.537 2.279 1389TIP3 H147991 2.128 -0.632 2.273 1389TIP3 H247992 2.069 -0.499 2.315 1389TIP3 OH247993 2.650 0.991 2.100 1389TIP3 H147994 2.687 0.919 2.047 1389TIP3 H247995 2.700 1.067 2.064 1389TIP3 OH247996 2.782 0.781 1.938 1389TIP3 H147997 2.727 0.741 1.869 1389TIP3 H247998 2.773 0.715 2.010 1389TIP3 OH247999 2.932 0.668 2.786 1389TIP3 H148000 2.924 0.599 2.717 1389TIP3 H248001 2.951 0.748 2.734 1389TIP3 OH248002 2.373 0.343 1.774 1389TIP3 H148003 2.299 0.391 1.735 1389TIP3 H248004 2.437 0.338 1.700 1389TIP3 OH248005 3.116 0.265 2.546 1389TIP3 H148006 3.053 0.333 2.578 1389TIP3 H248007 3.172 0.315 2.486 1390TIP3 OH248008 2.714 0.359 1.859 1390TIP3 H148009 2.641 0.380 1.922 1390TIP3 H248010 2.760 0.290 1.909 1390TIP3 OH248011 2.698 0.211 2.746 1390TIP3 H148012 2.699 0.291 2.801 1390TIP3 H248013 2.629 0.238 2.683 1390TIP3 OH248014 1.868 0.440 2.019 1390TIP3 H148015 1.835 0.406 1.934 1390TIP3 H248016 1.939 0.379 2.043 1390TIP3 OH248017 2.007 0.774 2.313 1390TIP3 H148018 1.993 0.746 2.221 1390TIP3 H248019 2.086 0.723 2.339 1390TIP3 OH248020 1.934 0.313 2.390 1390TIP3 H148021 1.987 0.322 2.309 1390TIP3 H248022 1.969 0.383 2.448 1390TIP3 OH248023 2.017 0.749 2.869 1390TIP3 H148024 1.966 0.811 2.924 1390TIP3 H248025 1.949 0.721 2.804 1390TIP3 OH248026 2.601 0.288 1.608 1390TIP3 H148027 2.656 0.318 1.683 1390TIP3 H248028 2.645 0.332 1.532 1390TIP3 OH248029 1.709 0.388 2.784 1390TIP3 H148030 1.713 0.444 2.864 1390TIP3 H248031 1.613 0.373 2.777 1390TIP3 OH248032 2.366 0.962 1.967 1390TIP3 H148033 2.389 1.007 2.048 1390TIP3 H248034 2.306 1.026 1.925 1390TIP3 OH248035 1.825 0.965 2.955 1390TIP3 H148036 1.812 0.966 2.859 1390TIP3 H248037 1.737 0.938 2.989 1391TIP3 OH248038 2.937 -0.534 1.591 1391TIP3 H148039 2.839 -0.534 1.579 1391TIP3 H248040 2.957 -0.444 1.563 1391TIP3 OH248041 3.093 0.886 1.415 1391TIP3 H148042 3.106 0.980 1.434 1391TIP3 H248043 3.181 0.849 1.435 1391TIP3 OH248044 1.372 0.576 2.667 1391TIP3 H148045 1.326 0.577 2.580 1391TIP3 H248046 1.383 0.480 2.681 1391TIP3 OH248047 1.376 0.870 2.359 1391TIP3 H148048 1.467 0.839 2.366 1391TIP3 H248049 1.370 0.929 2.436 1391TIP3 OH248050 3.213 0.928 2.936 1391TIP3 H148051 3.202 0.832 2.924 1391TIP3 H248052 3.123 0.954 2.966 1391TIP3 OH248053 2.277 0.854 2.815 1391TIP3 H148054 2.285 0.932 2.874 1391TIP3 H248055 2.188 0.821 2.839 1391TIP3 OH248056 2.320 1.231 1.814 1391TIP3 H148057 2.302 1.232 1.718 1391TIP3 H248058 2.313 1.324 1.838 1391TIP3 OH248059 1.661 1.120 1.962 1391TIP3 H148060 1.688 1.079 2.046 1391TIP3 H248061 1.574 1.079 1.950 1391TIP3 OH248062 2.640 1.179 1.532 1391TIP3 H148063 2.697 1.113 1.488 1391TIP3 H248064 2.631 1.139 1.621 1391TIP3 OH248065 2.580 1.119 1.818 1391TIP3 H148066 2.484 1.138 1.820 1391TIP3 H248067 2.581 1.037 1.870 1392TIP3 OH248068 2.897 0.068 2.975 1392TIP3 H148069 2.836 0.102 2.909 1392TIP3 H248070 2.898 -0.027 2.953 1392TIP3 OH248071 1.590 0.730 2.790 1392TIP3 H148072 1.616 0.684 2.873 1392TIP3 H248073 1.516 0.676 2.758 1392TIP3 OH248074 1.906 -0.422 2.368 1392TIP3 H148075 1.831 -0.426 2.306 1392TIP3 H248076 1.874 -0.354 2.431 1392TIP3 OH248077 2.347 -0.465 2.730 1392TIP3 H148078 2.398 -0.516 2.796 1392TIP3 H248079 2.256 -0.498 2.745 1392TIP3 OH248080 2.664 -0.082 2.787 1392TIP3 H148081 2.601 -0.104 2.859 1392TIP3 H248082 2.650 0.013 2.773 1392TIP3 OH248083 2.751 0.398 1.391 1392TIP3 H148084 2.730 0.392 1.296 1392TIP3 H248085 2.843 0.431 1.388 1392TIP3 OH248086 1.895 0.056 2.508 1392TIP3 H148087 1.837 0.066 2.585 1392TIP3 H248088 1.899 0.148 2.473 1392TIP3 OH248089 1.887 0.073 1.986 1392TIP3 H148090 1.791 0.070 1.970 1392TIP3 H248091 1.920 0.053 1.896 1392TIP3 OH248092 2.486 0.105 1.867 1392TIP3 H148093 2.433 0.185 1.847 1392TIP3 H248094 2.518 0.082 1.779 1392TIP3 OH248095 2.371 0.139 3.006 1392TIP3 H148096 2.318 0.066 3.046 1392TIP3 H248097 2.456 0.127 3.052 1393TIP3 OH248098 2.544 0.052 2.149 1393TIP3 H148099 2.515 0.107 2.075 1393TIP3 H248100 2.560 -0.031 2.099 1393TIP3 OH248101 1.631 0.072 2.691 1393TIP3 H148102 1.657 0.103 2.779 1393TIP3 H248103 1.594 -0.015 2.712 1393TIP3 OH248104 1.338 -0.151 2.053 1393TIP3 H148105 1.368 -0.191 2.137 1393TIP3 H248106 1.350 -0.222 1.989 1393TIP3 OH248107 2.449 0.227 2.599 1393TIP3 H148108 2.490 0.153 2.550 1393TIP3 H248109 2.409 0.180 2.675 1393TIP3 OH248110 2.167 -0.171 2.101 1393TIP3 H148111 2.072 -0.188 2.117 1393TIP3 H248112 2.206 -0.202 2.184 1393TIP3 OH248113 1.623 -0.075 1.945 1393TIP3 H148114 1.536 -0.033 1.935 1393TIP3 H248115 1.629 -0.129 1.866 1393TIP3 OH248116 1.972 0.008 1.719 1393TIP3 H148117 2.064 -0.021 1.733 1393TIP3 H248118 1.977 0.064 1.641 1393TIP3 OH248119 2.605 -0.265 2.401 1393TIP3 H148120 2.542 -0.264 2.476 1393TIP3 H248121 2.546 -0.299 2.331 1393TIP3 OH248122 2.907 1.312 3.065 1393TIP3 H148123 2.929 1.361 2.984 1393TIP3 H248124 2.971 1.347 3.129 1393TIP3 OH248125 1.697 0.578 3.011 1393TIP3 H148126 1.764 0.583 3.083 1393TIP3 H248127 1.616 0.574 3.065 1394TIP3 OH248128 2.276 0.080 2.285 1394TIP3 H148129 2.336 0.025 2.232 1394TIP3 H248130 2.250 0.019 2.357 1394TIP3 OH248131 2.169 -0.071 2.502 1394TIP3 H148132 2.087 -0.019 2.508 1394TIP3 H248133 2.215 -0.050 2.586 1394TIP3 OH248134 2.909 0.473 2.569 1394TIP3 H148135 2.951 0.529 2.502 1394TIP3 H248136 2.819 0.461 2.533 1394TIP3 OH248137 2.355 0.571 2.822 1394TIP3 H148138 2.319 0.524 2.899 1394TIP3 H248139 2.307 0.655 2.827 1394TIP3 OH248140 2.708 0.022 1.603 1394TIP3 H148141 2.719 -0.013 1.693 1394TIP3 H248142 2.646 0.097 1.614 1394TIP3 OH248143 1.698 0.495 2.261 1394TIP3 H148144 1.756 0.486 2.184 1394TIP3 H248145 1.706 0.409 2.304 1394TIP3 OH248146 1.419 0.327 2.805 1394TIP3 H148147 1.434 0.284 2.891 1394TIP3 H248148 1.357 0.267 2.760 1394TIP3 OH248149 2.116 0.280 3.003 1394TIP3 H148150 2.081 0.252 2.916 1394TIP3 H248151 2.209 0.251 2.996 1394TIP3 OH248152 2.565 0.870 2.768 1394TIP3 H148153 2.473 0.836 2.765 1394TIP3 H248154 2.586 0.851 2.861 1394TIP3 OH248155 3.120 0.025 1.645 1394TIP3 H148156 3.074 -0.013 1.569 1394TIP3 H248157 3.123 0.120 1.622 1395TIP3 OH248158 3.167 0.632 2.933 1395TIP3 H148159 3.073 0.653 2.916 1395TIP3 H248160 3.201 0.615 2.843 1395TIP3 OH248161 2.943 0.885 1.664 1395TIP3 H148162 2.927 0.806 1.717 1395TIP3 H248163 2.998 0.853 1.591 1395TIP3 OH248164 2.663 0.426 2.397 1395TIP3 H148165 2.570 0.403 2.379 1395TIP3 H248166 2.707 0.350 2.355 1395TIP3 OH248167 1.938 0.823 2.024 1395TIP3 H148168 1.983 0.897 1.982 1395TIP3 H248169 1.861 0.810 1.966 1395TIP3 OH248170 2.135 1.023 2.600 1395TIP3 H148171 2.181 1.107 2.587 1395TIP3 H248172 2.189 0.979 2.667 1395TIP3 OH248173 1.976 1.114 1.931 1395TIP3 H148174 1.880 1.118 1.928 1395TIP3 H248175 2.001 1.207 1.947 1395TIP3 OH248176 2.485 0.629 2.544 1395TIP3 H148177 2.448 0.601 2.629 1395TIP3 H248178 2.548 0.559 2.524 1395TIP3 OH248179 2.678 0.729 1.451 1395TIP3 H148180 2.719 0.688 1.529 1395TIP3 H248181 2.585 0.714 1.471 1395TIP3 OH248182 2.776 1.048 2.784 1395TIP3 H148183 2.690 1.002 2.784 1395TIP3 H248184 2.759 1.137 2.747 1395TIP3 OH248185 3.163 1.155 1.504 1395TIP3 H148186 3.231 1.220 1.480 1395TIP3 H248187 3.085 1.213 1.506 1396TIP3 OH248188 1.551 -0.208 2.764 1396TIP3 H148189 1.460 -0.181 2.741 1396TIP3 H248190 1.536 -0.293 2.808 1396TIP3 OH248191 2.782 0.588 1.684 1396TIP3 H148192 2.755 0.516 1.744 1396TIP3 H248193 2.878 0.588 1.696 1396TIP3 OH248194 1.529 0.969 2.606 1396TIP3 H148195 1.554 0.877 2.624 1396TIP3 H248196 1.547 1.008 2.692 1396TIP3 OH248197 2.450 -0.224 2.620 1396TIP3 H148198 2.506 -0.197 2.694 1396TIP3 H248199 2.397 -0.296 2.659 1396TIP3 OH248200 2.310 0.959 1.646 1396TIP3 H148201 2.214 0.977 1.653 1396TIP3 H248202 2.331 1.002 1.562 1396TIP3 OH248203 2.241 -0.064 1.841 1396TIP3 H148204 2.331 -0.033 1.857 1396TIP3 H248205 2.213 -0.091 1.931 1396TIP3 OH248206 2.296 0.014 2.755 1396TIP3 H148207 2.292 0.063 2.838 1396TIP3 H248208 2.340 -0.067 2.784 1396TIP3 OH248209 2.341 -0.365 1.927 1396TIP3 H148210 2.305 -0.297 1.985 1396TIP3 H248211 2.413 -0.318 1.883 1396TIP3 OH248212 2.027 1.038 1.630 1396TIP3 H148213 2.008 1.119 1.580 1396TIP3 H248214 1.988 1.057 1.717 1396TIP3 OH248215 1.854 -0.278 1.603 1396TIP3 H148216 1.879 -0.185 1.612 1396TIP3 H248217 1.942 -0.320 1.603 1397TIP3 OH248218 2.917 -0.186 2.843 1397TIP3 H148219 2.820 -0.173 2.834 1397TIP3 H248220 2.935 -0.215 2.753 1397TIP3 OH248221 2.770 0.196 2.244 1397TIP3 H148222 2.686 0.149 2.222 1397TIP3 H248223 2.819 0.128 2.293 1397TIP3 OH248224 2.848 1.085 2.394 1397TIP3 H148225 2.848 1.164 2.335 1397TIP3 H248226 2.944 1.084 2.415 1397TIP3 OH248227 1.620 -0.482 2.236 1397TIP3 H148228 1.580 -0.528 2.162 1397TIP3 H248229 1.604 -0.549 2.306 1397TIP3 OH248230 1.461 1.173 3.028 1397TIP3 H148231 1.518 1.145 3.101 1397TIP3 H248232 1.421 1.088 3.000 1397TIP3 OH248233 1.931 1.083 3.203 1397TIP3 H148234 1.996 1.017 3.231 1397TIP3 H248235 1.906 1.050 3.115 1397TIP3 OH248236 2.322 1.004 1.360 1397TIP3 H148237 2.249 0.941 1.354 1397TIP3 H248238 2.385 0.969 1.295 1397TIP3 OH248239 2.588 0.899 3.058 1397TIP3 H148240 2.538 0.827 3.102 1397TIP3 H248241 2.647 0.928 3.130 1397TIP3 OH248242 2.805 0.998 1.383 1397TIP3 H148243 2.829 0.916 1.428 1397TIP3 H248244 2.873 1.004 1.313 1397TIP3 OH248245 1.455 0.537 3.139 1397TIP3 H148246 1.464 0.445 3.108 1397TIP3 H248247 1.378 0.567 3.087 1398TIP3 OH248248 2.131 0.558 3.066 1398TIP3 H148249 2.084 0.585 2.986 1398TIP3 H248250 2.129 0.460 3.060 1398TIP3 OH248251 2.656 0.512 2.807 1398TIP3 H148252 2.728 0.576 2.799 1398TIP3 H248253 2.577 0.567 2.814 1398TIP3 OH248254 1.541 0.250 3.057 1398TIP3 H148255 1.615 0.186 3.058 1398TIP3 H248256 1.538 0.272 3.152 1398TIP3 OH248257 1.908 0.161 2.799 1398TIP3 H148258 1.854 0.238 2.824 1398TIP3 H248259 1.971 0.201 2.737 1398TIP3 OH248260 2.438 0.433 3.150 1398TIP3 H148261 2.531 0.412 3.133 1398TIP3 H248262 2.409 0.355 3.200 1398TIP3 OH248263 3.028 0.433 1.330 1398TIP3 H148264 3.013 0.405 1.238 1398TIP3 H248265 3.025 0.530 1.317 1398TIP3 OH248266 1.969 -0.106 2.914 1398TIP3 H148267 1.972 -0.174 2.843 1398TIP3 H248268 1.943 -0.027 2.865 1398TIP3 OH248269 1.999 -0.261 2.658 1398TIP3 H148270 2.050 -0.209 2.593 1398TIP3 H248271 1.908 -0.257 2.623 1398TIP3 OH248272 2.155 0.285 2.701 1398TIP3 H148273 2.237 0.275 2.651 1398TIP3 H248274 2.122 0.371 2.669 1398TIP3 OH248275 2.614 0.075 3.172 1398TIP3 H148276 2.630 -0.016 3.199 1398TIP3 H248277 2.703 0.113 3.179 1399TIP3 OH248278 2.714 0.356 3.027 1399TIP3 H148279 2.675 0.415 2.959 1399TIP3 H248280 2.800 0.338 2.986 1399TIP3 OH248281 1.786 0.078 3.090 1399TIP3 H148282 1.733 -0.003 3.096 1399TIP3 H248283 1.869 0.045 3.053 1399TIP3 OH248284 2.074 -0.528 2.694 1399TIP3 H148285 2.053 -0.433 2.679 1399TIP3 H248286 2.003 -0.571 2.643 1399TIP3 OH248287 2.199 -0.071 3.073 1399TIP3 H148288 2.165 -0.091 3.162 1399TIP3 H248289 2.118 -0.091 3.021 1399TIP3 OH248290 2.451 -0.169 2.957 1399TIP3 H148291 2.364 -0.160 3.001 1399TIP3 H248292 2.497 -0.229 3.019 1399TIP3 OH248293 2.638 -0.317 3.133 1399TIP3 H148294 2.622 -0.412 3.149 1399TIP3 H248295 2.618 -0.276 3.219 1399TIP3 OH248296 1.655 -0.178 3.078 1399TIP3 H148297 1.645 -0.250 3.013 1399TIP3 H248298 1.632 -0.224 3.161 1399TIP3 OH248299 2.056 -0.579 2.977 1399TIP3 H148300 2.115 -0.656 2.983 1399TIP3 H248301 2.053 -0.565 2.881 1399TIP3 OH248302 2.151 -0.392 3.161 1399TIP3 H148303 2.118 -0.452 3.091 1399TIP3 H248304 2.081 -0.325 3.166 1399TIP3 OH248305 2.055 1.299 1.504 1399TIP3 H148306 2.151 1.304 1.518 1399TIP3 H248307 2.045 1.360 1.430 1400TIP3 OH248308 1.328 1.269 1.936 1400TIP3 H148309 1.268 1.220 1.876 1400TIP3 H248310 1.354 1.198 1.998 1400TIP3 OH248311 1.397 1.070 2.126 1400TIP3 H148312 1.362 0.983 2.152 1400TIP3 H248313 1.423 1.104 2.213 1400TIP3 OH248314 3.140 1.194 2.439 1400TIP3 H148315 3.158 1.196 2.534 1400TIP3 H248316 3.222 1.231 2.403 1400TIP3 OH248317 3.130 1.143 2.722 1400TIP3 H148318 3.082 1.065 2.689 1400TIP3 H248319 3.185 1.101 2.791 1400TIP3 OH248320 2.930 0.686 3.152 1400TIP3 H148321 2.842 0.691 3.194 1400TIP3 H248322 2.975 0.765 3.187 1400TIP3 OH248323 3.071 0.572 1.731 1400TIP3 H148324 3.160 0.609 1.746 1400TIP3 H248325 3.063 0.512 1.807 1400TIP3 OH248326 3.139 0.376 1.951 1400TIP3 H148327 3.064 0.319 1.978 1400TIP3 H248328 3.198 0.375 2.027 1400TIP3 OH248329 3.092 0.621 2.420 1400TIP3 H148330 3.152 0.582 2.355 1400TIP3 H248331 3.103 0.716 2.401 1400TIP3 OH248332 2.966 0.911 2.641 1400TIP3 H148333 2.898 0.954 2.697 1400TIP3 H248334 2.912 0.870 2.571 1400TIP3 OH248335 3.131 0.316 1.583 1400TIP3 H148336 3.090 0.350 1.501 1400TIP3 H248337 3.130 0.396 1.638 1401TIP3 OH248338 2.941 0.181 2.022 1401TIP3 H148339 2.912 0.097 1.981 1401TIP3 H248340 2.873 0.194 2.091 1401TIP3 OH248341 1.396 0.404 2.372 1401TIP3 H148342 1.418 0.413 2.277 1401TIP3 H248343 1.485 0.383 2.409 1401TIP3 OH248344 2.975 0.377 2.909 1401TIP3 H148345 3.043 0.314 2.940 1401TIP3 H248346 3.022 0.461 2.910 1401TIP3 OH248347 3.127 0.191 3.039 1401TIP3 H148348 3.048 0.135 3.019 1401TIP3 H248349 3.197 0.123 3.039 1401TIP3 OH248350 2.889 -0.056 1.833 1401TIP3 H148351 2.900 -0.153 1.832 1401TIP3 H248352 2.962 -0.029 1.775 1401TIP3 OH248353 2.968 0.027 2.364 1401TIP3 H148354 3.048 0.002 2.412 1401TIP3 H248355 2.905 0.007 2.436 1401TIP3 OH248356 2.937 0.063 2.646 1401TIP3 H148357 2.850 0.092 2.678 1401TIP3 H248358 2.980 0.148 2.628 1401TIP3 OH248359 1.387 -0.058 3.016 1401TIP3 H148360 1.480 -0.084 3.022 1401TIP3 H248361 1.342 -0.144 3.024 1401TIP3 OH248362 3.190 -0.518 3.176 1401TIP3 H148363 3.234 -0.587 3.125 1401TIP3 H248364 3.197 -0.440 3.118 1401TIP3 OH248365 2.919 -0.343 1.828 1401TIP3 H148366 2.924 -0.393 1.911 1401TIP3 H248367 2.853 -0.396 1.780 1402TIP3 OH248368 1.466 -0.228 2.295 1402TIP3 H148369 1.510 -0.314 2.302 1402TIP3 H248370 1.532 -0.168 2.334 1402TIP3 OH248371 1.324 0.040 2.404 1402TIP3 H148372 1.371 0.044 2.319 1402TIP3 H248373 1.354 0.122 2.446 1402TIP3 OH248374 3.133 -0.311 3.000 1402TIP3 H148375 3.044 -0.273 3.013 1402TIP3 H248376 3.115 -0.369 2.923 1402TIP3 OH248377 3.133 -0.283 1.482 1402TIP3 H148378 3.147 -0.369 1.439 1402TIP3 H248379 3.224 -0.251 1.494 1402TIP3 OH248380 1.394 -0.315 1.796 1402TIP3 H148381 1.297 -0.327 1.800 1402TIP3 H248382 1.400 -0.256 1.720 1402TIP3 OH248383 2.832 1.197 2.021 1402TIP3 H148384 2.875 1.180 1.935 1402TIP3 H248385 2.900 1.246 2.068 1402TIP3 OH248386 1.372 -0.434 2.622 1402TIP3 H148387 1.301 -0.462 2.682 1402TIP3 H248388 1.321 -0.383 2.556 1402TIP3 OH248389 1.570 0.879 3.089 1402TIP3 H148390 1.496 0.873 3.027 1402TIP3 H248391 1.527 0.868 3.175 1402TIP3 OH248392 1.855 0.973 2.657 1402TIP3 H148393 1.821 1.057 2.623 1402TIP3 H248394 1.950 0.982 2.637 1402TIP3 OH248395 2.308 1.100 2.958 1402TIP3 H148396 2.312 1.086 3.054 1402TIP3 H248397 2.391 1.148 2.941 1403TIP3 OH248398 2.543 1.237 2.869 1403TIP3 H148399 2.608 1.168 2.885 1403TIP3 H248400 2.557 1.290 2.950 1403TIP3 OH248401 3.020 -0.489 2.798 1403TIP3 H148402 2.935 -0.475 2.753 1403TIP3 H248403 3.040 -0.581 2.770 1403TIP3 OH248404 1.594 1.270 2.691 1403TIP3 H148405 1.533 1.331 2.646 1403TIP3 H248406 1.557 1.271 2.780 1403TIP3 OH248407 1.844 1.247 2.548 1403TIP3 H148408 1.757 1.263 2.589 1403TIP3 H248409 1.844 1.314 2.477 1403TIP3 OH248410 2.366 1.229 2.499 1403TIP3 H148411 2.305 1.268 2.433 1403TIP3 H248412 2.359 1.297 2.569 1403TIP3 OH248413 2.765 1.270 2.595 1403TIP3 H148414 2.762 1.367 2.599 1403TIP3 H248415 2.826 1.259 2.521 1403TIP3 OH248416 1.552 1.150 2.387 1403TIP3 H148417 1.549 1.098 2.470 1403TIP3 H248418 1.624 1.104 2.339 1403TIP3 OH248419 1.748 1.022 2.231 1403TIP3 H148420 1.736 0.927 2.250 1403TIP3 H248421 1.841 1.036 2.255 1403TIP3 OH248422 2.039 1.073 2.317 1403TIP3 H148423 2.043 0.980 2.290 1403TIP3 H248424 2.030 1.063 2.413 1403TIP3 OH248425 2.362 -0.342 2.245 1403TIP3 H148426 2.292 -0.409 2.261 1403TIP3 H248427 2.415 -0.386 2.178 1404TIP3 OH248428 2.856 -0.535 2.292 1404TIP3 H148429 2.930 -0.493 2.244 1404TIP3 H248430 2.779 -0.510 2.239 1404TIP3 OH248431 3.074 -0.425 2.092 1404TIP3 H148432 3.126 -0.461 2.019 1404TIP3 H248433 3.089 -0.329 2.083 1404TIP3 OH248434 2.040 -0.485 1.997 1404TIP3 H148435 2.129 -0.463 1.968 1404TIP3 H248436 2.052 -0.504 2.090 1404TIP3 OH248437 2.615 -0.491 2.134 1404TIP3 H148438 2.614 -0.497 2.037 1404TIP3 H248439 2.561 -0.569 2.159 1404TIP3 OH248440 2.133 -0.318 1.692 1404TIP3 H148441 2.194 -0.381 1.732 1404TIP3 H248442 2.185 -0.237 1.695 1404TIP3 OH248443 2.355 1.243 1.508 1404TIP3 H148444 2.452 1.245 1.504 1404TIP3 H248445 2.336 1.177 1.438 1404TIP3 OH248446 3.013 1.162 1.778 1404TIP3 H148447 2.988 1.078 1.734 1404TIP3 H248448 3.007 1.224 1.704 1404TIP3 OH248449 1.576 -0.445 2.958 1404TIP3 H148450 1.534 -0.526 2.992 1404TIP3 H248451 1.668 -0.459 2.985 1404TIP3 OH248452 1.813 -0.508 3.130 1404TIP3 H148453 1.895 -0.544 3.090 1404TIP3 H248454 1.778 -0.587 3.173 1404TIP3 OH248455 1.667 1.215 1.408 1404TIP3 H148456 1.596 1.223 1.474 1404TIP3 H248457 1.680 1.119 1.406 1405TIP3 OH248458 2.626 -0.598 3.146 1405TIP3 H148459 2.627 -0.639 3.234 1405TIP3 H248460 2.720 -0.600 3.122 1405TIP3 OH248461 2.966 1.039 3.011 1405TIP3 H148462 2.888 1.016 2.957 1405TIP3 H248463 2.945 1.130 3.037 1405TIP3 OH248464 4.207 0.326 2.341 1405TIP3 H148465 4.286 0.336 2.396 1405TIP3 H248466 4.244 0.304 2.255 1405TIP3 OH248467 3.505 0.314 2.505 1405TIP3 H148468 3.507 0.236 2.563 1405TIP3 H248469 3.582 0.363 2.539 1405TIP3 OH248470 3.581 0.767 2.347 1405TIP3 H148471 3.557 0.676 2.323 1405TIP3 H248472 3.672 0.754 2.379 1405TIP3 OH248473 3.258 0.117 1.911 1405TIP3 H148474 3.232 0.204 1.877 1405TIP3 H248475 3.211 0.058 1.850 1405TIP3 OH248476 4.121 0.603 2.401 1405TIP3 H148477 4.143 0.522 2.350 1405TIP3 H248478 4.202 0.616 2.450 1405TIP3 OH248479 3.743 -0.166 2.160 1405TIP3 H148480 3.759 -0.081 2.115 1405TIP3 H248481 3.711 -0.219 2.085 1405TIP3 OH248482 3.947 0.241 2.153 1405TIP3 H148483 4.024 0.191 2.185 1405TIP3 H248484 3.900 0.171 2.103 1405TIP3 OH248485 3.623 -0.265 2.549 1405TIP3 H148486 3.588 -0.200 2.486 1405TIP3 H248487 3.557 -0.259 2.621 1406TIP3 OH248488 3.915 0.497 2.581 1406TIP3 H148489 3.842 0.557 2.607 1406TIP3 H248490 3.981 0.558 2.545 1406TIP3 OH248491 3.555 -0.053 2.349 1406TIP3 H148492 3.621 0.001 2.397 1406TIP3 H248493 3.610 -0.084 2.274 1406TIP3 OH248494 3.713 0.688 2.648 1406TIP3 H148495 3.713 0.783 2.625 1406TIP3 H248496 3.629 0.681 2.697 1406TIP3 OH248497 3.341 0.660 1.743 1406TIP3 H148498 3.329 0.707 1.659 1406TIP3 H248499 3.362 0.732 1.806 1406TIP3 OH248500 4.043 -0.539 2.280 1406TIP3 H148501 4.018 -0.633 2.282 1406TIP3 H248502 3.964 -0.498 2.320 1406TIP3 OH248503 4.269 0.344 1.746 1406TIP3 H148504 4.200 0.410 1.730 1406TIP3 H248505 4.331 0.364 1.676 1406TIP3 OH248506 4.289 0.189 1.466 1406TIP3 H148507 4.372 0.186 1.517 1406TIP3 H248508 4.296 0.111 1.409 1406TIP3 OH248509 3.763 0.435 2.040 1406TIP3 H148510 3.728 0.390 1.961 1406TIP3 H248511 3.825 0.368 2.075 1406TIP3 OH248512 3.900 0.780 2.313 1406TIP3 H148513 3.889 0.733 2.229 1406TIP3 H248514 3.976 0.732 2.352 1406TIP3 OH248515 3.807 0.323 2.387 1406TIP3 H148516 3.870 0.312 2.313 1406TIP3 H248517 3.857 0.379 2.449 1407TIP3 OH248518 3.905 0.752 2.871 1407TIP3 H148519 3.852 0.815 2.923 1407TIP3 H248520 3.839 0.722 2.805 1407TIP3 OH248521 3.594 0.391 2.784 1407TIP3 H148522 3.599 0.444 2.865 1407TIP3 H248523 3.499 0.372 2.778 1407TIP3 OH248524 4.208 0.982 1.986 1407TIP3 H148525 4.300 0.992 2.016 1407TIP3 H248526 4.211 1.015 1.894 1407TIP3 OH248527 3.710 0.966 2.956 1407TIP3 H148528 3.699 0.967 2.859 1407TIP3 H248529 3.623 0.939 2.989 1407TIP3 OH248530 3.651 0.309 1.794 1407TIP3 H148531 3.632 0.385 1.736 1407TIP3 H248532 3.587 0.244 1.763 1407TIP3 OH248533 3.259 0.574 2.662 1407TIP3 H148534 3.202 0.572 2.583 1407TIP3 H248535 3.270 0.480 2.685 1407TIP3 OH248536 3.260 0.864 2.363 1407TIP3 H148537 3.354 0.841 2.366 1407TIP3 H248538 3.255 0.930 2.434 1407TIP3 OH248539 4.171 0.855 2.818 1407TIP3 H148540 4.179 0.939 2.865 1407TIP3 H248541 4.082 0.822 2.844 1407TIP3 OH248542 4.196 1.234 1.833 1407TIP3 H148543 4.198 1.219 1.737 1407TIP3 H248544 4.209 1.329 1.840 1407TIP3 OH248545 3.577 1.145 1.976 1407TIP3 H148546 3.588 1.101 2.062 1407TIP3 H248547 3.492 1.109 1.946 1408TIP3 OH248548 3.475 0.731 2.791 1408TIP3 H148549 3.503 0.685 2.874 1408TIP3 H248550 3.404 0.673 2.757 1408TIP3 OH248551 3.795 -0.425 2.369 1408TIP3 H148552 3.715 -0.432 2.315 1408TIP3 H248553 3.772 -0.347 2.422 1408TIP3 OH248554 4.234 -0.488 2.793 1408TIP3 H148555 4.247 -0.558 2.860 1408TIP3 H248556 4.143 -0.508 2.763 1408TIP3 OH248557 4.233 -0.208 1.471 1408TIP3 H148558 4.167 -0.227 1.539 1408TIP3 H248559 4.206 -0.271 1.402 1408TIP3 OH248560 3.764 0.050 2.503 1408TIP3 H148561 3.720 0.062 2.589 1408TIP3 H248562 3.782 0.141 2.475 1408TIP3 OH248563 3.774 0.062 1.999 1408TIP3 H148564 3.678 0.050 1.988 1408TIP3 H248565 3.805 0.044 1.908 1408TIP3 OH248566 4.270 0.099 1.934 1408TIP3 H148567 4.280 0.194 1.913 1408TIP3 H248568 4.360 0.066 1.947 1408TIP3 OH248569 4.250 0.146 3.031 1408TIP3 H148570 4.194 0.065 3.045 1408TIP3 H248571 4.337 0.102 3.029 1408TIP3 OH248572 3.509 0.074 2.694 1408TIP3 H148573 3.547 0.102 2.778 1408TIP3 H248574 3.483 -0.018 2.715 1408TIP3 OH248575 3.862 -0.164 1.353 1408TIP3 H148576 3.820 -0.206 1.430 1408TIP3 H248577 3.788 -0.150 1.293 1409TIP3 OH248578 3.205 -0.159 2.065 1409TIP3 H148579 3.264 -0.193 2.135 1409TIP3 H248580 3.233 -0.210 1.986 1409TIP3 OH248581 3.351 -0.140 1.628 1409TIP3 H148582 3.408 -0.094 1.563 1409TIP3 H248583 3.281 -0.074 1.641 1409TIP3 OH248584 4.345 0.201 2.632 1409TIP3 H148585 4.378 0.136 2.568 1409TIP3 H248586 4.274 0.149 2.673 1409TIP3 OH248587 4.047 -0.198 2.101 1409TIP3 H148588 3.954 -0.189 2.127 1409TIP3 H248589 4.091 -0.180 2.186 1409TIP3 OH248590 3.513 -0.047 1.991 1409TIP3 H148591 3.428 -0.023 1.949 1409TIP3 H248592 3.540 -0.127 1.943 1409TIP3 OH248593 3.869 -0.023 1.734 1409TIP3 H148594 3.965 -0.012 1.741 1409TIP3 H248595 3.844 0.038 1.662 1409TIP3 OH248596 3.722 0.104 1.513 1409TIP3 H148597 3.662 0.076 1.442 1409TIP3 H248598 3.803 0.120 1.462 1409TIP3 OH248599 3.582 0.578 3.010 1409TIP3 H148600 3.650 0.586 3.081 1409TIP3 H248601 3.502 0.574 3.065 1409TIP3 OH248602 4.140 0.042 2.243 1409TIP3 H148603 4.216 0.007 2.197 1409TIP3 H248604 4.163 0.026 2.336 1409TIP3 OH248605 3.673 -0.275 1.908 1409TIP3 H148606 3.621 -0.357 1.915 1409TIP3 H248607 3.752 -0.305 1.860 1410TIP3 OH248608 4.050 -0.089 2.511 1410TIP3 H148609 3.979 -0.024 2.497 1410TIP3 H248610 4.102 -0.048 2.584 1410TIP3 OH248611 4.071 0.550 1.700 1410TIP3 H148612 3.994 0.501 1.663 1410TIP3 H248613 4.048 0.555 1.796 1410TIP3 OH248614 4.198 0.547 2.821 1410TIP3 H148615 4.188 0.535 2.916 1410TIP3 H248616 4.214 0.642 2.812 1410TIP3 OH248617 3.557 0.485 2.261 1410TIP3 H148618 3.625 0.485 2.191 1410TIP3 H248619 3.589 0.414 2.318 1410TIP3 OH248620 4.287 0.689 1.600 1410TIP3 H148621 4.260 0.778 1.629 1410TIP3 H248622 4.210 0.636 1.629 1410TIP3 OH248623 3.297 0.326 2.802 1410TIP3 H148624 3.322 0.290 2.890 1410TIP3 H248625 3.243 0.254 2.766 1410TIP3 OH248626 4.002 0.280 3.003 1410TIP3 H148627 3.972 0.249 2.916 1410TIP3 H248628 4.095 0.252 3.001 1410TIP3 OH248629 3.813 0.828 2.003 1410TIP3 H148630 3.857 0.914 1.991 1410TIP3 H248631 3.722 0.848 1.979 1410TIP3 OH248632 3.415 0.308 1.471 1410TIP3 H148633 3.477 0.375 1.505 1410TIP3 H248634 3.329 0.347 1.492 1410TIP3 OH248635 3.997 0.600 1.967 1410TIP3 H148636 3.963 0.689 1.981 1410TIP3 H248637 3.927 0.546 2.008 1411TIP3 OH248638 4.018 1.027 2.608 1411TIP3 H148639 4.075 1.097 2.571 1411TIP3 H248640 4.083 0.974 2.657 1411TIP3 OH248641 3.868 1.124 1.937 1411TIP3 H148642 3.771 1.128 1.938 1411TIP3 H248643 3.891 1.218 1.955 1411TIP3 OH248644 3.440 -0.207 2.759 1411TIP3 H148645 3.347 -0.185 2.742 1411TIP3 H248646 3.431 -0.292 2.807 1411TIP3 OH248647 3.414 0.967 2.605 1411TIP3 H148648 3.443 0.877 2.627 1411TIP3 H248649 3.431 1.011 2.690 1411TIP3 OH248650 3.995 0.840 1.311 1411TIP3 H148651 4.028 0.765 1.256 1411TIP3 H248652 3.955 0.791 1.385 1411TIP3 OH248653 3.885 0.781 1.585 1411TIP3 H148654 3.934 0.729 1.650 1411TIP3 H248655 3.898 0.873 1.616 1411TIP3 OH248656 3.565 0.530 1.619 1411TIP3 H148657 3.494 0.570 1.672 1411TIP3 H248658 3.614 0.609 1.589 1411TIP3 OH248659 4.335 -0.181 2.677 1411TIP3 H148660 4.391 -0.257 2.695 1411TIP3 H248661 4.273 -0.218 2.613 1411TIP3 OH248662 4.174 0.961 1.650 1411TIP3 H148663 4.084 0.999 1.650 1411TIP3 H248664 4.210 0.997 1.568 1411TIP3 OH248665 4.127 -0.101 1.838 1411TIP3 H148666 4.187 -0.026 1.862 1411TIP3 H248667 4.094 -0.120 1.928 1412TIP3 OH248668 4.168 0.012 2.760 1412TIP3 H148669 4.185 0.055 2.844 1412TIP3 H248670 4.233 -0.061 2.758 1412TIP3 OH248671 4.193 -0.384 1.958 1412TIP3 H148672 4.165 -0.306 2.012 1412TIP3 H248673 4.272 -0.349 1.913 1412TIP3 OH248674 3.899 1.054 1.642 1412TIP3 H148675 3.891 1.132 1.583 1412TIP3 H248676 3.882 1.094 1.729 1412TIP3 OH248677 3.767 -0.277 1.592 1412TIP3 H148678 3.774 -0.197 1.646 1412TIP3 H248679 3.850 -0.324 1.614 1412TIP3 OH248680 3.611 0.809 1.497 1412TIP3 H148681 3.684 0.859 1.535 1412TIP3 H248682 3.658 0.761 1.428 1412TIP3 OH248683 3.425 0.028 1.411 1412TIP3 H148684 3.437 0.123 1.429 1412TIP3 H248685 3.345 0.027 1.357 1412TIP3 OH248686 3.511 -0.466 2.282 1412TIP3 H148687 3.496 -0.474 2.186 1412TIP3 H248688 3.483 -0.553 2.316 1412TIP3 OH248689 3.404 0.881 1.914 1412TIP3 H148690 3.327 0.934 1.937 1412TIP3 H248691 3.443 0.934 1.843 1412TIP3 OH248692 3.347 1.172 3.026 1412TIP3 H148693 3.403 1.147 3.101 1412TIP3 H248694 3.306 1.087 3.001 1412TIP3 OH248695 3.816 1.080 3.206 1412TIP3 H148696 3.882 1.012 3.227 1412TIP3 H248697 3.790 1.053 3.117 1413TIP3 OH248698 4.229 1.000 1.348 1413TIP3 H148699 4.146 0.948 1.339 1413TIP3 H248700 4.293 0.931 1.327 1413TIP3 OH248701 3.343 0.538 3.139 1413TIP3 H148702 3.350 0.445 3.111 1413TIP3 H248703 3.263 0.566 3.091 1413TIP3 OH248704 3.763 0.580 1.343 1413TIP3 H148705 3.781 0.518 1.416 1413TIP3 H248706 3.847 0.575 1.293 1413TIP3 OH248707 4.007 0.557 3.073 1413TIP3 H148708 3.980 0.588 2.985 1413TIP3 H248709 4.016 0.460 3.060 1413TIP3 OH248710 4.260 0.711 1.298 1413TIP3 H148711 4.280 0.720 1.393 1413TIP3 H248712 4.245 0.616 1.290 1413TIP3 OH248713 3.427 0.254 3.054 1413TIP3 H148714 3.498 0.186 3.053 1413TIP3 H248715 3.421 0.271 3.149 1413TIP3 OH248716 3.872 0.385 1.575 1413TIP3 H148717 3.810 0.333 1.629 1413TIP3 H248718 3.904 0.317 1.512 1413TIP3 OH248719 3.793 0.162 2.789 1413TIP3 H148720 3.744 0.239 2.822 1413TIP3 H248721 3.859 0.204 2.731 1413TIP3 OH248722 3.978 0.188 1.405 1413TIP3 H148723 3.968 0.191 1.308 1413TIP3 H248724 4.075 0.197 1.414 1413TIP3 OH248725 4.285 0.412 3.171 1413TIP3 H148726 4.354 0.379 3.113 1413TIP3 H248727 4.267 0.332 3.223 1414TIP3 OH248728 3.856 -0.106 2.917 1414TIP3 H148729 3.862 -0.174 2.847 1414TIP3 H248730 3.837 -0.026 2.865 1414TIP3 OH248731 3.882 -0.261 2.657 1414TIP3 H148732 3.936 -0.207 2.596 1414TIP3 H248733 3.793 -0.254 2.618 1414TIP3 OH248734 4.059 0.278 2.690 1414TIP3 H148735 4.136 0.274 2.632 1414TIP3 H248736 4.030 0.370 2.676 1414TIP3 OH248737 3.673 0.079 3.086 1414TIP3 H148738 3.618 -0.000 3.096 1414TIP3 H248739 3.756 0.041 3.051 1414TIP3 OH248740 3.973 -0.523 2.694 1414TIP3 H148741 3.947 -0.430 2.678 1414TIP3 H248742 3.906 -0.571 2.641 1414TIP3 OH248743 4.101 -0.078 3.070 1414TIP3 H148744 4.070 -0.111 3.155 1414TIP3 H248745 4.027 -0.105 3.013 1414TIP3 OH248746 3.534 -0.178 3.076 1414TIP3 H148747 3.532 -0.252 3.014 1414TIP3 H248748 3.520 -0.223 3.161 1414TIP3 OH248749 3.947 -0.576 2.979 1414TIP3 H148750 4.002 -0.655 2.987 1414TIP3 H248751 3.947 -0.561 2.883 1414TIP3 OH248752 4.041 -0.393 3.173 1414TIP3 H148753 4.009 -0.456 3.105 1414TIP3 H248754 3.967 -0.332 3.181 1414TIP3 OH248755 3.958 1.306 1.514 1414TIP3 H148756 4.054 1.316 1.517 1414TIP3 H248757 3.938 1.356 1.433 1415TIP3 OH248758 3.336 0.747 1.469 1415TIP3 H148759 3.432 0.768 1.477 1415TIP3 H248760 3.337 0.673 1.406 1415TIP3 OH248761 3.236 1.269 1.936 1415TIP3 H148762 3.163 1.234 1.882 1415TIP3 H248763 3.242 1.202 2.007 1415TIP3 OH248764 3.273 1.072 2.138 1415TIP3 H148765 3.243 0.985 2.170 1415TIP3 H248766 3.307 1.110 2.220 1415TIP3 OH248767 3.291 0.368 2.324 1415TIP3 H148768 3.343 0.421 2.261 1415TIP3 H248769 3.357 0.367 2.397 1415TIP3 OH248770 3.274 -0.058 3.009 1415TIP3 H148771 3.367 -0.085 3.025 1415TIP3 H248772 3.228 -0.143 3.023 1415TIP3 OH248773 3.342 -0.221 2.307 1415TIP3 H148774 3.392 -0.305 2.311 1415TIP3 H248775 3.415 -0.157 2.325 1415TIP3 OH248776 3.230 -0.315 1.816 1415TIP3 H148777 3.139 -0.316 1.781 1415TIP3 H248778 3.279 -0.267 1.747 1415TIP3 OH248779 3.256 -0.432 2.624 1415TIP3 H148780 3.189 -0.464 2.687 1415TIP3 H248781 3.201 -0.393 2.556 1415TIP3 OH248782 3.456 0.877 3.090 1415TIP3 H148783 3.383 0.874 3.027 1415TIP3 H248784 3.411 0.870 3.175 1415TIP3 OH248785 3.740 0.971 2.655 1415TIP3 H148786 3.710 1.058 2.624 1415TIP3 H248787 3.836 0.982 2.639 1416TIP3 OH248788 4.220 1.138 2.947 1416TIP3 H148789 4.204 1.100 3.035 1416TIP3 H248790 4.316 1.158 2.955 1416TIP3 OH248791 3.476 1.268 2.690 1416TIP3 H148792 3.416 1.332 2.647 1416TIP3 H248793 3.445 1.273 2.781 1416TIP3 OH248794 3.726 1.245 2.545 1416TIP3 H148795 3.643 1.265 2.592 1416TIP3 H248796 3.729 1.317 2.479 1416TIP3 OH248797 4.180 1.236 2.473 1416TIP3 H148798 4.150 1.314 2.425 1416TIP3 H248799 4.250 1.273 2.527 1416TIP3 OH248800 3.434 1.147 2.384 1416TIP3 H148801 3.434 1.101 2.470 1416TIP3 H248802 3.512 1.106 2.342 1416TIP3 OH248803 3.638 1.022 2.232 1416TIP3 H148804 3.622 0.928 2.255 1416TIP3 H248805 3.727 1.036 2.268 1416TIP3 OH248806 3.952 1.086 2.291 1416TIP3 H148807 3.940 0.990 2.291 1416TIP3 H248808 3.935 1.107 2.385 1416TIP3 OH248809 4.262 -0.371 2.251 1416TIP3 H148810 4.180 -0.422 2.262 1416TIP3 H248811 4.299 -0.412 2.172 1416TIP3 OH248812 3.477 -0.487 2.000 1416TIP3 H148813 3.392 -0.500 1.952 1416TIP3 H248814 3.521 -0.572 1.983 1416TIP3 OH248815 3.375 -0.525 1.597 1416TIP3 H148816 3.416 -0.456 1.543 1416TIP3 H248817 3.317 -0.474 1.656 1417TIP3 OH248818 3.931 -0.489 1.995 1417TIP3 H148819 4.023 -0.458 1.982 1417TIP3 H248820 3.929 -0.498 2.091 1417TIP3 OH248821 3.380 1.075 1.709 1417TIP3 H148822 3.317 1.063 1.637 1417TIP3 H248823 3.378 1.172 1.716 1417TIP3 OH248824 3.533 -0.339 1.438 1417TIP3 H148825 3.591 -0.394 1.383 1417TIP3 H248826 3.595 -0.308 1.506 1417TIP3 OH248827 4.063 -0.321 1.691 1417TIP3 H148828 4.067 -0.383 1.765 1417TIP3 H248829 4.064 -0.235 1.738 1417TIP3 OH248830 4.263 1.239 1.518 1417TIP3 H148831 4.350 1.277 1.500 1417TIP3 H248832 4.249 1.180 1.442 1417TIP3 OH248833 3.464 -0.446 2.955 1417TIP3 H148834 3.419 -0.525 2.991 1417TIP3 H248835 3.554 -0.462 2.987 1417TIP3 OH248836 3.696 -0.510 3.128 1417TIP3 H148837 3.779 -0.546 3.091 1417TIP3 H248838 3.664 -0.587 3.177 1417TIP3 OH248839 3.522 1.168 1.388 1417TIP3 H148840 3.500 1.198 1.477 1417TIP3 H248841 3.600 1.113 1.402 1417TIP3 OH248842 -3.163 2.292 2.034 1417TIP3 H148843 -3.161 2.389 2.033 1417TIP3 H248844 -3.235 2.274 1.972 1417TIP3 OH248845 -3.283 2.238 2.344 1417TIP3 H148846 -3.280 2.171 2.415 1417TIP3 H248847 -3.301 2.182 2.267 1418TIP3 OH248848 -4.035 2.203 2.511 1418TIP3 H148849 -4.027 2.125 2.567 1418TIP3 H248850 -3.954 2.252 2.531 1418TIP3 OH248851 -2.911 2.512 2.170 1418TIP3 H148852 -2.941 2.434 2.220 1418TIP3 H248853 -2.874 2.566 2.240 1418TIP3 OH248854 -3.957 2.657 2.350 1418TIP3 H148855 -3.987 2.567 2.327 1418TIP3 H248856 -3.865 2.638 2.374 1418TIP3 OH248857 -4.207 1.979 1.817 1418TIP3 H148858 -4.168 2.023 1.894 1418TIP3 H248859 -4.218 1.888 1.848 1418TIP3 OH248860 -4.208 2.222 2.100 1418TIP3 H148861 -4.164 2.145 2.141 1418TIP3 H248862 -4.136 2.258 2.047 1418TIP3 OH248863 -3.209 3.039 2.218 1418TIP3 H148864 -3.141 2.973 2.197 1418TIP3 H248865 -3.226 3.026 2.312 1418TIP3 OH248866 -3.380 2.501 2.410 1418TIP3 H148867 -3.381 2.440 2.333 1418TIP3 H248868 -3.354 2.437 2.477 1418TIP3 OH248869 -2.562 1.639 2.457 1418TIP3 H148870 -2.535 1.698 2.529 1418TIP3 H248871 -2.498 1.666 2.387 1418TIP3 OH248872 -3.099 1.919 2.443 1418TIP3 H148873 -3.080 1.824 2.451 1418TIP3 H248874 -3.106 1.929 2.347 1418TIP3 OH248875 -3.788 1.710 2.166 1418TIP3 H148876 -3.829 1.798 2.162 1418TIP3 H248877 -3.829 1.668 2.087 1419TIP3 OH248878 -3.014 1.739 1.986 1419TIP3 H148879 -2.956 1.696 2.052 1419TIP3 H248880 -2.948 1.781 1.929 1419TIP3 OH248881 -3.611 2.109 2.131 1419TIP3 H148882 -3.547 2.053 2.178 1419TIP3 H248883 -3.679 2.045 2.105 1419TIP3 OH248884 -2.487 1.773 2.705 1419TIP3 H148885 -2.547 1.845 2.678 1419TIP3 H248886 -2.502 1.774 2.801 1419TIP3 OH248887 -3.898 1.656 2.579 1419TIP3 H148888 -3.926 1.676 2.489 1419TIP3 H248889 -3.984 1.637 2.622 1419TIP3 OH248890 -3.174 2.573 1.912 1419TIP3 H148891 -3.199 2.547 1.823 1419TIP3 H248892 -3.218 2.660 1.923 1419TIP3 OH248893 -3.621 2.394 2.575 1419TIP3 H148894 -3.701 2.439 2.609 1419TIP3 H248895 -3.569 2.469 2.545 1419TIP3 OH248896 -2.832 1.662 2.187 1419TIP3 H148897 -2.869 1.600 2.252 1419TIP3 H248898 -2.778 1.719 2.244 1419TIP3 OH248899 -3.827 2.572 2.654 1419TIP3 H148900 -3.831 2.665 2.623 1419TIP3 H248901 -3.916 2.566 2.694 1419TIP3 OH248902 -4.181 2.539 1.743 1419TIP3 H148903 -4.264 2.554 1.692 1419TIP3 H248904 -4.193 2.598 1.819 1419TIP3 OH248905 -2.888 2.697 2.428 1419TIP3 H148906 -2.951 2.769 2.416 1419TIP3 H248907 -2.812 2.740 2.385 1420TIP3 OH248908 -2.819 1.576 2.571 1420TIP3 H148909 -2.895 1.615 2.525 1420TIP3 H248910 -2.746 1.595 2.510 1420TIP3 OH248911 -3.506 1.349 2.278 1420TIP3 H148912 -3.526 1.254 2.270 1420TIP3 H248913 -3.590 1.383 2.315 1420TIP3 OH248914 -3.017 2.879 2.091 1420TIP3 H148915 -2.976 2.802 2.046 1420TIP3 H248916 -2.956 2.950 2.064 1420TIP3 OH248917 -2.883 2.675 1.939 1420TIP3 H148918 -2.919 2.623 1.865 1420TIP3 H248919 -2.883 2.608 2.010 1420TIP3 OH248920 -2.738 2.556 2.784 1420TIP3 H148921 -2.730 2.485 2.717 1420TIP3 H248922 -2.703 2.633 2.737 1420TIP3 OH248923 -3.293 2.247 1.759 1420TIP3 H148924 -3.362 2.299 1.714 1420TIP3 H248925 -3.223 2.245 1.691 1420TIP3 OH248926 -3.267 2.062 1.463 1420TIP3 H148927 -3.195 2.093 1.521 1420TIP3 H248928 -3.218 2.003 1.403 1420TIP3 OH248929 -2.546 2.167 2.580 1420TIP3 H148930 -2.617 2.234 2.590 1420TIP3 H248931 -2.497 2.202 2.503 1420TIP3 OH248932 -2.945 2.243 1.864 1420TIP3 H148933 -3.013 2.261 1.933 1420TIP3 H248934 -2.883 2.186 1.914 1420TIP3 OH248935 -2.961 2.093 2.745 1420TIP3 H148936 -2.955 2.169 2.804 1420TIP3 H248937 -3.023 2.129 2.680 1421TIP3 OH248938 -3.774 2.324 2.037 1421TIP3 H148939 -3.819 2.282 1.960 1421TIP3 H248940 -3.723 2.248 2.071 1421TIP3 OH248941 -3.642 2.658 2.315 1421TIP3 H148942 -3.660 2.619 2.228 1421TIP3 H248943 -3.560 2.615 2.342 1421TIP3 OH248944 -3.712 2.191 2.395 1421TIP3 H148945 -3.667 2.207 2.311 1421TIP3 H248946 -3.682 2.265 2.451 1421TIP3 OH248947 -3.641 2.634 2.869 1421TIP3 H148948 -3.692 2.697 2.923 1421TIP3 H248949 -3.709 2.607 2.804 1421TIP3 OH248950 -3.050 2.190 1.609 1421TIP3 H148951 -3.001 2.214 1.690 1421TIP3 H248952 -3.000 2.239 1.540 1421TIP3 OH248953 -3.951 2.257 2.796 1421TIP3 H148954 -3.943 2.322 2.868 1421TIP3 H248955 -4.044 2.266 2.772 1421TIP3 OH248956 -3.294 2.848 1.964 1421TIP3 H148957 -3.247 2.879 2.043 1421TIP3 H248958 -3.361 2.916 1.951 1421TIP3 OH248959 -3.835 2.844 2.957 1421TIP3 H148960 -3.846 2.851 2.860 1421TIP3 H248961 -3.927 2.831 2.987 1421TIP3 OH248962 -2.707 1.363 1.555 1421TIP3 H148963 -2.792 1.372 1.602 1421TIP3 H248964 -2.670 1.452 1.563 1421TIP3 OH248965 -3.885 2.195 1.797 1421TIP3 H148966 -3.919 2.265 1.739 1421TIP3 H248967 -3.946 2.122 1.780 1422TIP3 OH248968 -2.567 2.777 1.417 1422TIP3 H148969 -2.550 2.871 1.438 1422TIP3 H248970 -2.479 2.736 1.431 1422TIP3 OH248971 -4.264 2.467 2.653 1422TIP3 H148972 -4.298 2.444 2.565 1422TIP3 H248973 -4.294 2.391 2.705 1422TIP3 OH248974 -4.277 2.763 2.339 1422TIP3 H148975 -4.198 2.713 2.363 1422TIP3 H248976 -4.306 2.797 2.424 1422TIP3 OH248977 -2.443 2.815 2.935 1422TIP3 H148978 -2.453 2.719 2.922 1422TIP3 H248979 -2.533 2.838 2.967 1422TIP3 OH248980 -3.378 2.742 2.815 1422TIP3 H148981 -3.371 2.821 2.873 1422TIP3 H248982 -3.467 2.709 2.840 1422TIP3 OH248983 -3.974 3.031 1.978 1422TIP3 H148984 -3.955 2.989 2.065 1422TIP3 H248985 -4.053 2.980 1.953 1422TIP3 OH248986 -3.018 3.064 1.532 1422TIP3 H148987 -2.960 3.001 1.485 1422TIP3 H248988 -3.013 3.029 1.623 1422TIP3 OH248989 -3.097 3.058 1.820 1422TIP3 H148990 -3.183 3.016 1.809 1422TIP3 H248991 -3.046 2.984 1.857 1422TIP3 OH248992 -2.763 1.954 2.979 1422TIP3 H148993 -2.815 1.987 2.905 1422TIP3 H248994 -2.759 1.858 2.960 1422TIP3 OH248995 -4.069 2.614 2.789 1422TIP3 H148996 -4.045 2.562 2.868 1422TIP3 H248997 -4.150 2.569 2.757 1423TIP3 OH248998 -3.753 1.457 2.376 1423TIP3 H148999 -3.832 1.453 2.320 1423TIP3 H249000 -3.756 1.549 2.406 1423TIP3 OH249001 -3.311 1.420 2.730 1423TIP3 H149002 -3.260 1.368 2.794 1423TIP3 H249003 -3.403 1.394 2.748 1423TIP3 OH249004 -3.000 1.799 2.780 1423TIP3 H149005 -3.053 1.784 2.861 1423TIP3 H249006 -3.000 1.895 2.771 1423TIP3 OH249007 -2.894 2.298 1.411 1423TIP3 H149008 -2.915 2.278 1.317 1423TIP3 H249009 -2.799 2.318 1.403 1423TIP3 OH249010 -3.330 1.672 1.460 1423TIP3 H149011 -3.379 1.658 1.542 1423TIP3 H249012 -3.371 1.605 1.403 1423TIP3 OH249013 -3.783 1.927 2.509 1423TIP3 H149014 -3.873 1.949 2.538 1423TIP3 H249015 -3.771 1.995 2.439 1423TIP3 OH249016 -3.208 2.007 1.877 1423TIP3 H149017 -3.249 2.088 1.840 1423TIP3 H249018 -3.139 1.989 1.810 1423TIP3 OH249019 -3.290 2.025 3.009 1423TIP3 H149020 -3.339 1.948 3.044 1423TIP3 H249021 -3.202 2.014 3.050 1423TIP3 OH249022 -3.128 1.947 2.155 1423TIP3 H149023 -3.156 2.002 2.079 1423TIP3 H249024 -3.104 1.865 2.107 1423TIP3 OH249025 -4.003 1.941 2.699 1423TIP3 H149026 -4.020 2.003 2.772 1423TIP3 H249027 -4.070 1.872 2.714 1424TIP3 OH249028 -3.686 1.714 1.352 1424TIP3 H149029 -3.724 1.681 1.435 1424TIP3 H249030 -3.764 1.732 1.298 1424TIP3 OH249031 -4.333 1.699 2.070 1424TIP3 H149032 -4.278 1.705 2.150 1424TIP3 H249033 -4.273 1.660 2.006 1424TIP3 OH249034 -4.211 1.749 1.630 1424TIP3 H149035 -4.147 1.785 1.567 1424TIP3 H249036 -4.277 1.819 1.634 1424TIP3 OH249037 -3.217 2.113 2.596 1424TIP3 H149038 -3.168 2.041 2.548 1424TIP3 H249039 -3.242 2.067 2.677 1424TIP3 OH249040 -3.500 1.710 2.101 1424TIP3 H149041 -3.596 1.706 2.121 1424TIP3 H249042 -3.461 1.687 2.187 1424TIP3 OH249043 -3.683 1.856 1.744 1424TIP3 H149044 -3.591 1.879 1.762 1424TIP3 H249045 -3.716 1.930 1.689 1424TIP3 OH249046 -3.052 1.624 2.402 1424TIP3 H149047 -3.117 1.622 2.475 1424TIP3 H249048 -3.108 1.588 2.330 1424TIP3 OH249049 -3.822 1.987 1.515 1424TIP3 H149050 -3.880 1.957 1.444 1424TIP3 H249051 -3.739 2.004 1.467 1424TIP3 OH249052 -2.751 3.199 3.066 1424TIP3 H149053 -2.727 3.247 2.985 1424TIP3 H249054 -2.684 3.231 3.128 1424TIP3 OH249055 -3.955 2.461 3.011 1424TIP3 H149056 -3.893 2.466 3.087 1424TIP3 H249057 -4.040 2.471 3.059 1425TIP3 OH249058 -3.398 1.954 2.300 1425TIP3 H149059 -3.328 1.921 2.242 1425TIP3 H249060 -3.398 1.888 2.371 1425TIP3 OH249061 -3.871 1.602 1.927 1425TIP3 H149062 -3.921 1.522 1.908 1425TIP3 H249063 -3.800 1.599 1.861 1425TIP3 OH249064 -3.534 1.778 2.544 1425TIP3 H149065 -3.589 1.848 2.506 1425TIP3 H249066 -3.467 1.826 2.596 1425TIP3 OH249067 -3.483 2.453 1.697 1425TIP3 H149068 -3.556 2.398 1.661 1425TIP3 H249069 -3.498 2.448 1.793 1425TIP3 OH249070 -2.754 2.364 2.570 1425TIP3 H149071 -2.705 2.416 2.502 1425TIP3 H249072 -2.841 2.353 2.529 1425TIP3 OH249073 -3.062 1.729 1.475 1425TIP3 H149074 -3.160 1.728 1.470 1425TIP3 H249075 -3.043 1.803 1.536 1425TIP3 OH249076 -3.316 2.456 2.808 1425TIP3 H149077 -3.337 2.408 2.889 1425TIP3 H249078 -3.348 2.545 2.829 1425TIP3 OH249079 -2.994 1.914 1.680 1425TIP3 H149080 -2.906 1.896 1.718 1425TIP3 H249081 -2.981 2.000 1.636 1425TIP3 OH249082 -3.961 2.381 2.275 1425TIP3 H149083 -3.909 2.368 2.194 1425TIP3 H249084 -3.970 2.290 2.307 1425TIP3 OH249085 -3.239 2.584 1.588 1425TIP3 H149086 -3.263 2.667 1.633 1425TIP3 H249087 -3.311 2.525 1.615 1426TIP3 OH249088 -4.245 2.228 2.827 1426TIP3 H149089 -4.237 2.168 2.902 1426TIP3 H249090 -4.290 2.172 2.760 1426TIP3 OH249091 -3.544 2.161 2.999 1426TIP3 H149092 -3.568 2.142 2.907 1426TIP3 H249093 -3.450 2.134 2.998 1426TIP3 OH249094 -3.107 2.705 2.761 1426TIP3 H149095 -3.197 2.725 2.792 1426TIP3 H249096 -3.058 2.723 2.844 1426TIP3 OH249097 -2.536 1.912 1.654 1426TIP3 H149098 -2.590 1.891 1.576 1426TIP3 H249099 -2.524 2.008 1.639 1426TIP3 OH249100 -2.491 2.517 2.932 1426TIP3 H149101 -2.585 2.539 2.916 1426TIP3 H249102 -2.459 2.499 2.842 1426TIP3 OH249103 -2.718 2.772 1.663 1426TIP3 H149104 -2.733 2.691 1.713 1426TIP3 H249105 -2.661 2.741 1.590 1426TIP3 OH249106 -2.996 2.320 2.395 1426TIP3 H149107 -3.088 2.290 2.384 1426TIP3 H249108 -2.948 2.245 2.355 1426TIP3 OH249109 -3.726 2.715 2.003 1426TIP3 H149110 -3.688 2.803 1.992 1426TIP3 H249111 -3.819 2.730 1.985 1426TIP3 OH249112 -4.151 2.211 1.477 1426TIP3 H149113 -4.081 2.267 1.514 1426TIP3 H249114 -4.228 2.268 1.490 1426TIP3 OH249115 -3.540 2.487 1.979 1426TIP3 H149116 -3.581 2.575 1.982 1426TIP3 H249117 -3.614 2.430 2.007 1427TIP3 OH249118 -3.520 2.906 2.597 1427TIP3 H149119 -3.473 2.988 2.577 1427TIP3 H249120 -3.468 2.870 2.671 1427TIP3 OH249121 -3.678 3.009 1.922 1427TIP3 H149122 -3.774 3.014 1.935 1427TIP3 H249123 -3.649 3.098 1.951 1427TIP3 OH249124 -2.968 2.619 1.453 1427TIP3 H149125 -2.926 2.571 1.526 1427TIP3 H249126 -3.061 2.600 1.474 1427TIP3 OH249127 -2.892 2.938 2.792 1427TIP3 H149128 -2.972 2.903 2.749 1427TIP3 H249129 -2.878 3.023 2.745 1427TIP3 OH249130 -2.505 3.049 1.514 1427TIP3 H149131 -2.432 3.106 1.485 1427TIP3 H249132 -2.579 3.111 1.499 1427TIP3 OH249133 -4.105 1.676 2.764 1427TIP3 H149134 -4.188 1.723 2.781 1427TIP3 H249135 -4.118 1.592 2.812 1427TIP3 OH249136 -2.872 2.481 1.696 1427TIP3 H149137 -2.898 2.403 1.748 1427TIP3 H249138 -2.775 2.473 1.696 1427TIP3 OH249139 -4.123 2.857 2.610 1427TIP3 H149140 -4.111 2.762 2.623 1427TIP3 H249141 -4.099 2.891 2.697 1427TIP3 OH249142 -3.543 2.722 1.311 1427TIP3 H149143 -3.515 2.644 1.258 1427TIP3 H249144 -3.589 2.678 1.384 1427TIP3 OH249145 -3.661 2.673 1.578 1427TIP3 H149146 -3.614 2.616 1.641 1427TIP3 H249147 -3.648 2.763 1.615 1428TIP3 OH249148 -3.986 2.412 1.614 1428TIP3 H149149 -4.057 2.453 1.670 1428TIP3 H249150 -3.937 2.493 1.590 1428TIP3 OH249151 -3.214 1.665 2.621 1428TIP3 H149152 -3.148 1.690 2.688 1428TIP3 H249153 -3.258 1.588 2.662 1428TIP3 OH249154 -3.147 1.607 1.747 1428TIP3 H149155 -3.128 1.659 1.668 1428TIP3 H249156 -3.101 1.658 1.816 1428TIP3 OH249157 -3.358 2.864 1.654 1428TIP3 H149158 -3.453 2.885 1.654 1428TIP3 H249159 -3.335 2.876 1.560 1428TIP3 OH249160 -3.406 1.803 1.840 1428TIP3 H149161 -3.332 1.864 1.855 1428TIP3 H249162 -3.441 1.791 1.931 1428TIP3 OH249163 -3.370 1.900 2.757 1428TIP3 H149164 -3.358 1.949 2.841 1428TIP3 H249165 -3.313 1.823 2.773 1428TIP3 OH249166 -3.346 1.508 1.938 1428TIP3 H149167 -3.368 1.580 2.001 1428TIP3 H249168 -3.275 1.550 1.885 1428TIP3 OH249169 -3.639 2.942 1.643 1428TIP3 H149170 -3.657 3.019 1.586 1428TIP3 H249171 -3.662 2.976 1.732 1428TIP3 OH249172 -3.776 1.618 1.602 1428TIP3 H149173 -3.768 1.701 1.654 1428TIP3 H249174 -3.692 1.574 1.626 1428TIP3 OH249175 -2.742 1.700 2.846 1428TIP3 H149176 -2.838 1.710 2.831 1428TIP3 H249177 -2.714 1.677 2.756 1429TIP3 OH249178 -2.892 2.086 2.252 1429TIP3 H149179 -2.973 2.039 2.223 1429TIP3 H249180 -2.842 2.015 2.297 1429TIP3 OH249181 -3.930 2.700 1.496 1429TIP3 H149182 -3.851 2.740 1.536 1429TIP3 H249183 -3.888 2.643 1.431 1429TIP3 OH249184 -4.108 1.915 1.409 1429TIP3 H149185 -4.110 2.009 1.434 1429TIP3 H249186 -4.194 1.899 1.369 1429TIP3 OH249187 -2.791 2.967 2.386 1429TIP3 H149188 -2.802 3.050 2.336 1429TIP3 H249189 -2.698 2.977 2.413 1429TIP3 OH249190 -4.031 1.414 2.285 1429TIP3 H149191 -4.059 1.409 2.191 1429TIP3 H249192 -4.073 1.334 2.322 1429TIP3 OH249193 -4.133 2.781 1.913 1429TIP3 H149194 -4.226 2.807 1.921 1429TIP3 H249195 -4.109 2.817 1.827 1429TIP3 OH249196 -4.213 3.056 3.031 1429TIP3 H149197 -4.152 3.050 3.106 1429TIP3 H249198 -4.228 2.961 3.017 1429TIP3 OH249199 -3.725 2.967 3.204 1429TIP3 H149200 -3.658 2.901 3.229 1429TIP3 H249201 -3.750 2.937 3.116 1429TIP3 OH249202 -3.323 2.887 1.372 1429TIP3 H149203 -3.398 2.828 1.348 1429TIP3 H249204 -3.251 2.841 1.325 1429TIP3 OH249205 -3.075 2.787 3.060 1429TIP3 H149206 -3.117 2.711 3.104 1429TIP3 H249207 -3.010 2.815 3.127 1430TIP3 OH249208 -2.860 2.886 1.373 1430TIP3 H149209 -2.847 2.802 1.420 1430TIP3 H249210 -2.783 2.889 1.314 1430TIP3 OH249211 -4.204 2.452 3.095 1430TIP3 H149212 -4.194 2.368 3.049 1430TIP3 H249213 -4.288 2.486 3.059 1430TIP3 OH249214 -3.780 2.465 1.344 1430TIP3 H149215 -3.763 2.404 1.417 1430TIP3 H249216 -3.696 2.459 1.295 1430TIP3 OH249217 -3.534 2.442 3.070 1430TIP3 H149218 -3.569 2.474 2.985 1430TIP3 H249219 -3.529 2.346 3.057 1430TIP3 OH249220 -3.256 2.596 1.303 1430TIP3 H149221 -3.260 2.591 1.400 1430TIP3 H249222 -3.260 2.501 1.281 1430TIP3 OH249223 -3.007 2.401 2.790 1430TIP3 H149224 -2.928 2.457 2.787 1430TIP3 H249225 -3.079 2.463 2.807 1430TIP3 OH249226 -4.135 2.126 3.067 1430TIP3 H149227 -4.058 2.066 3.062 1430TIP3 H249228 -4.126 2.160 3.158 1430TIP3 OH249229 -3.672 2.272 1.577 1430TIP3 H149230 -3.732 2.222 1.635 1430TIP3 H249231 -3.644 2.203 1.514 1430TIP3 OH249232 -3.734 2.021 2.786 1430TIP3 H149233 -3.792 2.090 2.825 1430TIP3 H249234 -3.676 2.075 2.729 1430TIP3 OH249235 -3.576 2.076 1.401 1430TIP3 H149236 -3.579 2.082 1.304 1430TIP3 H249237 -3.480 2.069 1.416 1431TIP3 OH249238 -3.220 2.317 3.151 1431TIP3 H149239 -3.127 2.300 3.130 1431TIP3 H249240 -3.242 2.237 3.201 1431TIP3 OH249241 -2.628 2.324 1.334 1431TIP3 H149242 -2.633 2.281 1.248 1431TIP3 H249243 -2.631 2.418 1.308 1431TIP3 OH249244 -3.506 2.172 2.704 1431TIP3 H149245 -3.423 2.156 2.656 1431TIP3 H249246 -3.535 2.257 2.667 1431TIP3 OH249247 -3.043 1.962 3.176 1431TIP3 H149248 -3.022 1.869 3.195 1431TIP3 H249249 -2.954 2.000 3.178 1431TIP3 OH249250 -2.950 2.245 3.019 1431TIP3 H149251 -2.980 2.306 2.949 1431TIP3 H249252 -2.858 2.228 2.989 1431TIP3 OH249253 -3.863 1.951 3.058 1431TIP3 H149254 -3.916 1.873 3.081 1431TIP3 H249255 -3.772 1.919 3.059 1431TIP3 OH249256 -3.604 1.403 2.697 1431TIP3 H149257 -3.609 1.489 2.653 1431TIP3 H249258 -3.663 1.349 2.641 1431TIP3 OH249259 -3.474 1.815 3.064 1431TIP3 H149260 -3.489 1.789 3.157 1431TIP3 H249261 -3.555 1.783 3.024 1431TIP3 OH249262 -3.209 1.720 2.964 1431TIP3 H149263 -3.297 1.718 3.005 1431TIP3 H249264 -3.158 1.658 3.021 1431TIP3 OH249265 -3.031 1.568 3.128 1431TIP3 H149266 -3.035 1.472 3.147 1431TIP3 H249267 -3.037 1.609 3.216 1432TIP3 OH249268 -4.008 1.703 3.072 1432TIP3 H149269 -4.025 1.625 3.016 1432TIP3 H249270 -4.027 1.666 3.160 1432TIP3 OH249271 -3.600 1.309 2.974 1432TIP3 H149272 -3.543 1.230 2.978 1432TIP3 H249273 -3.603 1.326 2.878 1432TIP3 OH249274 -3.503 1.497 3.154 1432TIP3 H149275 -3.535 1.432 3.088 1432TIP3 H249276 -3.580 1.551 3.171 1432TIP3 OH249277 -3.601 3.211 1.516 1432TIP3 H149278 -3.505 3.208 1.517 1432TIP3 H249279 -3.618 3.241 1.426 1432TIP3 OH249280 -4.198 2.688 1.418 1432TIP3 H149281 -4.123 2.680 1.480 1432TIP3 H249282 -4.220 2.595 1.399 1432TIP3 OH249283 -4.273 2.966 2.133 1432TIP3 H149284 -4.277 2.877 2.173 1432TIP3 H249285 -4.244 3.016 2.211 1432TIP3 OH249286 -2.517 3.085 2.438 1432TIP3 H149287 -2.499 3.083 2.533 1432TIP3 H249288 -2.431 3.113 2.403 1432TIP3 OH249289 -2.528 3.029 2.724 1432TIP3 H149290 -2.574 2.952 2.688 1432TIP3 H249291 -2.470 2.986 2.789 1432TIP3 OH249292 -2.727 2.573 3.149 1432TIP3 H149293 -2.813 2.575 3.195 1432TIP3 H249294 -2.681 2.650 3.186 1432TIP3 OH249295 -2.589 2.465 1.730 1432TIP3 H149296 -2.497 2.497 1.742 1432TIP3 H249297 -2.593 2.398 1.801 1433TIP3 OH249298 -2.543 2.263 1.927 1433TIP3 H149299 -2.606 2.201 1.969 1433TIP3 H249300 -2.471 2.269 1.992 1433TIP3 OH249301 -2.578 2.517 2.414 1433TIP3 H149302 -2.514 2.460 2.368 1433TIP3 H249303 -2.542 2.605 2.393 1433TIP3 OH249304 -2.693 2.801 2.645 1433TIP3 H149305 -2.763 2.841 2.700 1433TIP3 H249306 -2.744 2.760 2.573 1433TIP3 OH249307 -2.519 2.200 1.585 1433TIP3 H149308 -2.566 2.230 1.505 1433TIP3 H249309 -2.525 2.279 1.641 1433TIP3 OH249310 -2.691 1.961 1.409 1433TIP3 H149311 -2.659 2.017 1.337 1433TIP3 H249312 -2.712 1.877 1.363 1433TIP3 OH249313 -2.750 2.072 2.007 1433TIP3 H149314 -2.753 1.976 1.991 1433TIP3 H249315 -2.786 2.079 2.097 1433TIP3 OH249316 -4.259 2.322 2.402 1433TIP3 H149317 -4.228 2.336 2.311 1433TIP3 H249318 -4.177 2.287 2.444 1433TIP3 OH249319 -2.687 2.267 2.917 1433TIP3 H149320 -2.619 2.199 2.938 1433TIP3 H249321 -2.633 2.347 2.910 1433TIP3 OH249322 -2.529 2.078 3.036 1433TIP3 H149323 -2.610 2.023 3.027 1433TIP3 H249324 -2.460 2.009 3.039 1433TIP3 OH249325 -2.742 1.695 1.333 1433TIP3 H149326 -2.681 1.643 1.388 1433TIP3 H249327 -2.820 1.638 1.325 1434TIP3 OH249328 -2.760 1.821 1.826 1434TIP3 H149329 -2.735 1.726 1.830 1434TIP3 H249330 -2.680 1.857 1.784 1434TIP3 OH249331 -2.737 1.886 2.367 1434TIP3 H149332 -2.639 1.893 2.364 1434TIP3 H249333 -2.750 1.885 2.464 1434TIP3 OH249334 -2.721 1.951 2.648 1434TIP3 H149335 -2.806 1.991 2.677 1434TIP3 H249336 -2.667 2.030 2.629 1434TIP3 OH249337 -4.284 1.804 2.986 1434TIP3 H149338 -4.199 1.777 3.024 1434TIP3 H249339 -4.348 1.745 3.028 1434TIP3 OH249340 -2.460 1.364 3.178 1434TIP3 H149341 -2.424 1.297 3.117 1434TIP3 H249342 -2.462 1.444 3.122 1434TIP3 OH249343 -2.713 1.543 1.822 1434TIP3 H149344 -2.699 1.508 1.912 1434TIP3 H249345 -2.792 1.492 1.794 1434TIP3 OH249346 -4.164 1.679 2.333 1434TIP3 H149347 -4.120 1.594 2.318 1434TIP3 H249348 -4.095 1.745 2.314 1434TIP3 OH249349 -4.308 1.951 2.384 1434TIP3 H149350 -4.253 1.904 2.320 1434TIP3 H249351 -4.270 2.039 2.379 1434TIP3 OH249352 -2.526 1.570 3.004 1434TIP3 H149353 -2.613 1.613 3.016 1434TIP3 H249354 -2.543 1.518 2.924 1434TIP3 OH249355 -2.516 1.589 1.488 1434TIP3 H149356 -2.485 1.509 1.443 1434TIP3 H249357 -2.434 1.641 1.497 1435TIP3 OH249358 -4.318 1.544 1.769 1435TIP3 H149359 -4.400 1.580 1.731 1435TIP3 H249360 -4.255 1.609 1.729 1435TIP3 OH249361 -2.825 3.097 2.013 1435TIP3 H149362 -2.771 3.066 1.938 1435TIP3 H249363 -2.757 3.132 2.072 1435TIP3 OH249364 -4.290 1.439 2.597 1435TIP3 H149365 -4.358 1.430 2.668 1435TIP3 H249366 -4.334 1.487 2.526 1435TIP3 OH249367 -4.115 2.791 3.067 1435TIP3 H149368 -4.176 2.735 3.018 1435TIP3 H249369 -4.132 2.760 3.159 1435TIP3 OH249370 -3.800 2.859 2.658 1435TIP3 H149371 -3.837 2.941 2.622 1435TIP3 H249372 -3.706 2.871 2.638 1435TIP3 OH249373 -3.348 2.984 2.957 1435TIP3 H149374 -3.340 2.973 3.053 1435TIP3 H249375 -3.266 3.033 2.936 1435TIP3 OH249376 -3.120 3.126 2.876 1435TIP3 H149377 -3.047 3.063 2.867 1435TIP3 H249378 -3.095 3.171 2.959 1435TIP3 OH249379 -2.639 1.396 2.800 1435TIP3 H149380 -2.720 1.415 2.751 1435TIP3 H249381 -2.618 1.305 2.768 1435TIP3 OH249382 -4.069 3.164 2.683 1435TIP3 H149383 -4.137 3.215 2.635 1435TIP3 H249384 -4.099 3.174 2.774 1435TIP3 OH249385 -3.817 3.132 2.546 1435TIP3 H149386 -3.904 3.148 2.588 1435TIP3 H249387 -3.816 3.200 2.477 1436TIP3 OH249388 -3.335 3.131 2.501 1436TIP3 H149389 -3.380 3.177 2.428 1436TIP3 H249390 -3.328 3.203 2.567 1436TIP3 OH249391 -3.107 2.972 2.568 1436TIP3 H149392 -3.191 3.021 2.557 1436TIP3 H249393 -3.045 3.046 2.578 1436TIP3 OH249394 -2.864 3.169 2.609 1436TIP3 H149395 -2.868 3.266 2.596 1436TIP3 H249396 -2.825 3.142 2.525 1436TIP3 OH249397 -4.124 3.043 2.382 1436TIP3 H149398 -4.135 2.995 2.467 1436TIP3 H249399 -4.052 2.992 2.342 1436TIP3 OH249400 -3.909 2.912 2.228 1436TIP3 H149401 -3.929 2.821 2.258 1436TIP3 H249402 -3.822 2.928 2.268 1436TIP3 OH249403 -3.625 2.956 2.315 1436TIP3 H149404 -3.615 2.862 2.295 1436TIP3 H249405 -3.625 2.954 2.412 1436TIP3 OH249406 -3.298 1.546 2.249 1436TIP3 H149407 -3.367 1.477 2.262 1436TIP3 H249408 -3.239 1.502 2.187 1436TIP3 OH249409 -2.802 1.348 2.296 1436TIP3 H149410 -2.725 1.390 2.253 1436TIP3 H249411 -2.876 1.375 2.238 1436TIP3 OH249412 -2.595 1.457 2.080 1436TIP3 H149413 -2.523 1.413 2.031 1436TIP3 H249414 -2.560 1.548 2.089 1436TIP3 OH249415 -4.111 1.399 2.007 1436TIP3 H149416 -4.176 1.376 1.939 1436TIP3 H249417 -4.043 1.331 1.991 1437TIP3 OH249418 -4.180 1.363 1.584 1437TIP3 H149419 -4.130 1.430 1.533 1437TIP3 H249420 -4.235 1.421 1.641 1437TIP3 OH249421 -3.612 1.390 1.992 1437TIP3 H149422 -3.524 1.429 1.977 1437TIP3 H249423 -3.616 1.390 2.088 1437TIP3 OH249424 -3.055 1.403 2.133 1437TIP3 H149425 -3.029 1.387 2.041 1437TIP3 H249426 -3.093 1.317 2.158 1437TIP3 OH249427 -2.945 1.403 1.733 1437TIP3 H149428 -3.027 1.452 1.717 1437TIP3 H249429 -2.979 1.312 1.745 1437TIP3 OH249430 -4.185 2.966 1.685 1437TIP3 H149431 -4.251 2.945 1.618 1437TIP3 H249432 -4.185 3.062 1.684 1437TIP3 OH249433 -4.003 1.549 1.439 1437TIP3 H149434 -3.943 1.495 1.386 1437TIP3 H249435 -3.943 1.582 1.508 1437TIP3 OH249436 -3.499 1.567 1.696 1437TIP3 H149437 -3.467 1.507 1.765 1437TIP3 H249438 -3.475 1.653 1.736 1437TIP3 OH249439 -3.273 3.170 1.540 1437TIP3 H149440 -3.183 3.134 1.523 1437TIP3 H249441 -3.324 3.101 1.496 1437TIP3 OH249442 -2.655 3.044 1.781 1437TIP3 H149443 -2.668 2.958 1.737 1437TIP3 H249444 -2.628 3.099 1.705 1437TIP3 OH249445 -4.077 1.446 2.960 1437TIP3 H149446 -4.127 1.369 2.992 1437TIP3 H249447 -3.987 1.421 2.989 1438TIP3 OH249448 -3.843 1.378 3.127 1438TIP3 H149449 -3.762 1.339 3.088 1438TIP3 H249450 -3.877 1.301 3.176 1438TIP3 OH249451 -4.010 3.067 1.385 1438TIP3 H149452 -4.043 3.082 1.475 1438TIP3 H249453 -3.944 2.996 1.400 1438TIP3 OH249454 -3.030 1.288 3.147 1438TIP3 H149455 -3.027 1.246 3.235 1438TIP3 H249456 -2.936 1.284 3.121 1438TIP3 OH249457 -2.692 2.924 3.013 1438TIP3 H149458 -2.770 2.904 2.958 1438TIP3 H249459 -2.711 3.017 3.037 1438TIP3 OH249460 -1.378 2.230 2.328 1438TIP3 H149461 -1.389 2.180 2.410 1438TIP3 H249462 -1.420 2.170 2.264 1438TIP3 OH249463 -2.145 2.194 2.505 1438TIP3 H149464 -2.144 2.118 2.567 1438TIP3 H249465 -2.071 2.246 2.539 1438TIP3 OH249466 -1.005 2.510 2.171 1438TIP3 H149467 -1.058 2.442 2.214 1438TIP3 H249468 -0.995 2.575 2.242 1438TIP3 OH249469 -2.078 2.656 2.355 1438TIP3 H149470 -2.099 2.564 2.328 1438TIP3 H249471 -1.984 2.646 2.374 1438TIP3 OH249472 -2.378 1.996 1.893 1438TIP3 H149473 -2.417 2.084 1.899 1438TIP3 H249474 -2.448 1.946 1.849 1438TIP3 OH249475 -2.298 2.242 2.077 1438TIP3 H149476 -2.281 2.159 2.126 1438TIP3 H249477 -2.213 2.255 2.033 1439TIP3 OH249478 -1.308 3.048 2.230 1439TIP3 H149479 -1.259 2.974 2.190 1439TIP3 H249480 -1.344 3.006 2.309 1439TIP3 OH249481 -1.542 2.483 2.398 1439TIP3 H149482 -1.510 2.422 2.329 1439TIP3 H249483 -1.459 2.499 2.445 1439TIP3 OH249484 -0.665 1.648 2.477 1439TIP3 H149485 -0.663 1.736 2.517 1439TIP3 H249486 -0.609 1.665 2.399 1439TIP3 OH249487 -1.212 1.918 2.443 1439TIP3 H149488 -1.199 1.821 2.443 1439TIP3 H249489 -1.217 1.936 2.348 1439TIP3 OH249490 -1.914 1.719 2.152 1439TIP3 H149491 -1.899 1.804 2.107 1439TIP3 H249492 -1.949 1.666 2.078 1439TIP3 OH249493 -1.130 1.737 1.985 1439TIP3 H149494 -1.068 1.695 2.048 1439TIP3 H249495 -1.068 1.780 1.924 1439TIP3 OH249496 -2.246 1.992 2.203 1439TIP3 H149497 -2.181 1.946 2.259 1439TIP3 H249498 -2.236 1.944 2.119 1439TIP3 OH249499 -1.710 2.131 2.153 1439TIP3 H149500 -1.637 2.076 2.188 1439TIP3 H249501 -1.758 2.066 2.098 1439TIP3 OH249502 -2.033 1.599 2.569 1439TIP3 H149503 -2.074 1.648 2.496 1439TIP3 H249504 -2.100 1.613 2.639 1439TIP3 OH249505 -1.739 2.387 2.583 1439TIP3 H149506 -1.813 2.448 2.605 1439TIP3 H249507 -1.677 2.446 2.535 1440TIP3 OH249508 -0.946 1.660 2.190 1440TIP3 H149509 -0.986 1.602 2.256 1440TIP3 H249510 -0.895 1.722 2.244 1440TIP3 OH249511 -2.074 1.804 2.362 1440TIP3 H149512 -2.009 1.861 2.408 1440TIP3 H249513 -2.017 1.767 2.290 1440TIP3 OH249514 -1.942 2.574 2.653 1440TIP3 H149515 -1.945 2.666 2.621 1440TIP3 H249516 -2.028 2.569 2.698 1440TIP3 OH249517 -2.314 2.545 1.742 1440TIP3 H149518 -2.326 2.595 1.658 1440TIP3 H249519 -2.293 2.615 1.807 1440TIP3 OH249520 -0.965 2.692 2.426 1440TIP3 H149521 -1.062 2.701 2.422 1440TIP3 H249522 -0.937 2.774 2.382 1440TIP3 OH249523 -0.932 1.568 2.578 1440TIP3 H149524 -1.008 1.612 2.535 1440TIP3 H249525 -0.859 1.595 2.519 1440TIP3 OH249526 -1.616 1.347 2.282 1440TIP3 H149527 -1.644 1.254 2.273 1440TIP3 H249528 -1.700 1.389 2.311 1440TIP3 OH249529 -1.131 2.876 2.084 1440TIP3 H149530 -1.089 2.798 2.044 1440TIP3 H249531 -1.072 2.948 2.054 1440TIP3 OH249532 -0.991 2.659 1.922 1440TIP3 H149533 -1.054 2.609 1.865 1440TIP3 H249534 -0.988 2.599 1.998 1440TIP3 OH249535 -0.835 2.550 2.786 1440TIP3 H149536 -0.847 2.487 2.712 1440TIP3 H249537 -0.824 2.634 2.738 1441TIP3 OH249538 -1.399 2.022 1.487 1441TIP3 H149539 -1.333 2.083 1.523 1441TIP3 H249540 -1.369 2.006 1.398 1441TIP3 OH249541 -0.659 2.169 2.580 1441TIP3 H149542 -0.733 2.231 2.586 1441TIP3 H249543 -0.611 2.205 2.503 1441TIP3 OH249544 -1.065 2.083 2.745 1441TIP3 H149545 -1.066 2.162 2.801 1441TIP3 H249546 -1.127 2.112 2.676 1441TIP3 OH249547 -1.907 2.315 2.043 1441TIP3 H149548 -1.929 2.274 1.957 1441TIP3 H249549 -1.834 2.260 2.074 1441TIP3 OH249550 -1.766 2.657 2.316 1441TIP3 H149551 -1.772 2.625 2.225 1441TIP3 H249552 -1.684 2.613 2.347 1441TIP3 OH249553 -1.842 2.200 2.393 1441TIP3 H149554 -1.787 2.201 2.312 1441TIP3 H249555 -1.799 2.268 2.448 1441TIP3 OH249556 -1.249 2.754 2.450 1441TIP3 H149557 -1.243 2.818 2.523 1441TIP3 H249558 -1.269 2.670 2.494 1441TIP3 OH249559 -1.756 2.632 2.874 1441TIP3 H149560 -1.808 2.699 2.922 1441TIP3 H249561 -1.819 2.605 2.804 1441TIP3 OH249562 -1.154 2.163 1.622 1441TIP3 H149563 -1.144 2.226 1.696 1441TIP3 H249564 -1.122 2.223 1.550 1441TIP3 OH249565 -2.063 2.274 2.785 1441TIP3 H149566 -2.058 2.329 2.865 1441TIP3 H249567 -2.159 2.257 2.779 1442TIP3 OH249568 -1.443 2.846 1.986 1442TIP3 H149569 -1.359 2.861 2.031 1442TIP3 H249570 -1.460 2.926 1.935 1442TIP3 OH249571 -1.946 2.852 2.956 1442TIP3 H149572 -1.957 2.854 2.860 1442TIP3 H249573 -2.034 2.824 2.988 1442TIP3 OH249574 -0.789 1.346 1.585 1442TIP3 H149575 -0.885 1.354 1.598 1442TIP3 H249576 -0.761 1.437 1.567 1442TIP3 OH249577 -2.001 2.193 1.791 1442TIP3 H149578 -2.019 2.269 1.733 1442TIP3 H249579 -2.070 2.131 1.765 1442TIP3 OH249580 -0.683 2.776 1.407 1442TIP3 H149581 -0.668 2.868 1.437 1442TIP3 H249582 -0.599 2.734 1.431 1442TIP3 OH249583 -2.407 2.459 2.668 1442TIP3 H149584 -2.439 2.453 2.576 1442TIP3 H249585 -2.385 2.366 2.687 1442TIP3 OH249586 -2.398 2.751 2.364 1442TIP3 H149587 -2.305 2.723 2.362 1442TIP3 H249588 -2.395 2.815 2.437 1442TIP3 OH249589 -0.557 2.815 2.938 1442TIP3 H149590 -0.567 2.720 2.918 1442TIP3 H249591 -0.648 2.837 2.966 1442TIP3 OH249592 -1.492 2.737 2.818 1442TIP3 H149593 -1.486 2.820 2.869 1442TIP3 H249594 -1.582 2.707 2.839 1442TIP3 OH249595 -1.466 3.117 1.814 1442TIP3 H149596 -1.463 3.123 1.717 1442TIP3 H249597 -1.457 3.209 1.842 1443TIP3 OH249598 -2.086 3.035 1.978 1443TIP3 H149599 -2.066 2.989 2.062 1443TIP3 H249600 -2.166 2.989 1.949 1443TIP3 OH249601 -1.130 3.060 1.532 1443TIP3 H149602 -1.080 2.991 1.486 1443TIP3 H249603 -1.137 3.023 1.621 1443TIP3 OH249604 -1.194 3.006 1.819 1443TIP3 H149605 -1.291 3.014 1.825 1443TIP3 H249606 -1.181 2.919 1.859 1443TIP3 OH249607 -0.869 1.935 2.964 1443TIP3 H149608 -0.923 2.004 2.921 1443TIP3 H249609 -0.924 1.858 2.942 1443TIP3 OH249610 -2.183 2.617 2.793 1443TIP3 H149611 -2.153 2.569 2.874 1443TIP3 H249612 -2.254 2.560 2.759 1443TIP3 OH249613 -1.863 1.458 2.371 1443TIP3 H149614 -1.943 1.456 2.316 1443TIP3 H249615 -1.884 1.535 2.427 1443TIP3 OH249616 -1.423 1.422 2.728 1443TIP3 H149617 -1.372 1.372 2.795 1443TIP3 H249618 -1.515 1.392 2.743 1443TIP3 OH249619 -1.060 1.788 2.820 1443TIP3 H149620 -1.140 1.760 2.868 1443TIP3 H249621 -1.093 1.864 2.768 1443TIP3 OH249622 -1.021 2.293 1.406 1443TIP3 H149623 -1.029 2.254 1.318 1443TIP3 H249624 -0.927 2.312 1.413 1443TIP3 OH249625 -1.442 1.669 1.441 1443TIP3 H149626 -1.491 1.669 1.524 1443TIP3 H249627 -1.484 1.594 1.395 1444TIP3 OH249628 -1.876 1.941 2.507 1444TIP3 H149629 -1.932 1.954 2.586 1444TIP3 H249630 -1.867 2.032 2.473 1444TIP3 OH249631 -1.882 1.949 1.997 1444TIP3 H149632 -1.977 1.938 1.979 1444TIP3 H249633 -1.845 1.931 1.908 1444TIP3 OH249634 -1.331 2.032 1.862 1444TIP3 H149635 -1.362 2.119 1.832 1444TIP3 H249636 -1.264 2.012 1.795 1444TIP3 OH249637 -1.402 2.026 3.011 1444TIP3 H149638 -1.453 1.951 3.046 1444TIP3 H249639 -1.314 2.012 3.050 1444TIP3 OH249640 -1.239 1.949 2.140 1444TIP3 H149641 -1.266 2.006 2.065 1444TIP3 H249642 -1.215 1.867 2.091 1444TIP3 OH249643 -2.145 1.959 2.694 1444TIP3 H149644 -2.112 1.988 2.780 1444TIP3 H249645 -2.176 1.869 2.714 1444TIP3 OH249646 -1.787 1.724 1.342 1444TIP3 H149647 -1.819 1.684 1.426 1444TIP3 H249648 -1.869 1.738 1.294 1444TIP3 OH249649 -2.458 1.705 2.058 1444TIP3 H149650 -2.396 1.702 2.132 1444TIP3 H249651 -2.408 1.666 1.984 1444TIP3 OH249652 -2.298 1.749 1.627 1444TIP3 H149653 -2.242 1.796 1.561 1444TIP3 H249654 -2.367 1.814 1.644 1444TIP3 OH249655 -1.325 2.114 2.600 1444TIP3 H149656 -1.282 2.043 2.547 1444TIP3 H249657 -1.357 2.064 2.676 1445TIP3 OH249658 -1.605 1.706 2.097 1445TIP3 H149659 -1.699 1.701 2.118 1445TIP3 H249660 -1.564 1.689 2.183 1445TIP3 OH249661 -2.149 1.830 1.968 1445TIP3 H149662 -2.230 1.856 1.920 1445TIP3 H249663 -2.119 1.751 1.919 1445TIP3 OH249664 -1.785 1.871 1.738 1445TIP3 H149665 -1.687 1.873 1.739 1445TIP3 H249666 -1.808 1.926 1.662 1445TIP3 OH249667 -1.163 1.619 2.404 1445TIP3 H149668 -1.227 1.623 2.478 1445TIP3 H249669 -1.221 1.587 2.332 1445TIP3 OH249670 -1.911 1.991 1.493 1445TIP3 H149671 -1.982 1.962 1.433 1445TIP3 H249672 -1.836 1.984 1.433 1445TIP3 OH249673 -0.868 3.205 3.067 1445TIP3 H149674 -0.838 3.243 2.982 1445TIP3 H249675 -0.795 3.231 3.127 1445TIP3 OH249676 -2.074 2.464 3.010 1445TIP3 H149677 -2.007 2.472 3.081 1445TIP3 H249678 -2.155 2.458 3.065 1445TIP3 OH249679 -1.504 1.961 2.282 1445TIP3 H149680 -1.429 1.923 2.233 1445TIP3 H249681 -1.514 1.898 2.356 1445TIP3 OH249682 -1.975 1.602 1.895 1445TIP3 H149683 -2.026 1.521 1.912 1445TIP3 H249684 -1.892 1.566 1.861 1445TIP3 OH249685 -1.604 1.804 2.511 1445TIP3 H149686 -1.680 1.865 2.504 1445TIP3 H249687 -1.558 1.836 2.591 1446TIP3 OH249688 -1.587 2.454 1.670 1446TIP3 H149689 -1.648 2.380 1.659 1446TIP3 H249690 -1.554 2.445 1.760 1446TIP3 OH249691 -0.870 2.364 2.572 1446TIP3 H149692 -0.820 2.418 2.507 1446TIP3 H249693 -0.955 2.351 2.525 1446TIP3 OH249694 -1.162 1.718 1.437 1446TIP3 H149695 -1.259 1.710 1.429 1446TIP3 H249696 -1.151 1.788 1.503 1446TIP3 OH249697 -1.427 2.448 2.829 1446TIP3 H149698 -1.459 2.417 2.915 1446TIP3 H249699 -1.459 2.540 2.828 1446TIP3 OH249700 -1.115 1.889 1.676 1446TIP3 H149701 -1.027 1.888 1.718 1446TIP3 H249702 -1.120 1.982 1.643 1446TIP3 OH249703 -2.079 2.386 2.277 1446TIP3 H149704 -2.023 2.376 2.198 1446TIP3 H249705 -2.066 2.300 2.321 1446TIP3 OH249706 -2.353 2.215 2.805 1446TIP3 H149707 -2.336 2.173 2.891 1446TIP3 H249708 -2.413 2.152 2.762 1446TIP3 OH249709 -1.654 2.165 3.003 1446TIP3 H149710 -1.690 2.140 2.916 1446TIP3 H249711 -1.562 2.137 2.994 1446TIP3 OH249712 -1.201 2.709 2.775 1446TIP3 H149713 -1.297 2.715 2.768 1446TIP3 H249714 -1.186 2.732 2.868 1446TIP3 OH249715 -0.649 1.913 1.653 1446TIP3 H149716 -0.702 1.893 1.574 1446TIP3 H249717 -0.639 2.009 1.641 1447TIP3 OH249718 -0.604 2.514 2.933 1447TIP3 H149719 -0.697 2.535 2.912 1447TIP3 H249720 -0.569 2.497 2.843 1447TIP3 OH249721 -0.824 2.775 1.665 1447TIP3 H149722 -0.858 2.703 1.719 1447TIP3 H249723 -0.776 2.728 1.595 1447TIP3 OH249724 -1.104 2.303 2.406 1447TIP3 H149725 -1.196 2.290 2.376 1447TIP3 H249726 -1.058 2.235 2.353 1447TIP3 OH249727 -1.847 2.715 2.012 1447TIP3 H149728 -1.793 2.794 1.992 1447TIP3 H249729 -1.932 2.739 1.975 1447TIP3 OH249730 -2.239 2.193 1.469 1447TIP3 H149731 -2.181 2.262 1.505 1447TIP3 H249732 -2.327 2.226 1.494 1447TIP3 OH249733 -1.659 2.477 1.973 1447TIP3 H149734 -1.676 2.572 1.973 1447TIP3 H249735 -1.743 2.441 2.002 1447TIP3 OH249736 -1.641 2.911 2.603 1447TIP3 H149737 -1.585 2.984 2.572 1447TIP3 H249738 -1.579 2.859 2.656 1447TIP3 OH249739 -1.798 3.005 1.926 1447TIP3 H149740 -1.893 3.023 1.932 1447TIP3 H249741 -1.760 3.092 1.949 1447TIP3 OH249742 -1.298 2.485 2.559 1447TIP3 H149743 -1.327 2.455 2.647 1447TIP3 H249744 -1.226 2.422 2.539 1447TIP3 OH249745 -1.069 2.600 1.490 1447TIP3 H149746 -1.039 2.561 1.574 1447TIP3 H249747 -1.164 2.589 1.509 1448TIP3 OH249748 -1.007 2.943 2.800 1448TIP3 H149749 -1.082 2.896 2.758 1448TIP3 H249750 -0.997 3.021 2.742 1448TIP3 OH249751 -0.609 3.042 1.503 1448TIP3 H149752 -0.539 3.106 1.482 1448TIP3 H249753 -0.686 3.102 1.505 1448TIP3 OH249754 -2.220 1.678 2.765 1448TIP3 H149755 -2.312 1.704 2.742 1448TIP3 H249756 -2.235 1.592 2.808 1448TIP3 OH249757 -2.247 2.854 2.607 1448TIP3 H149758 -2.214 2.764 2.621 1448TIP3 H249759 -2.222 2.895 2.690 1448TIP3 OH249760 -1.650 2.710 1.302 1448TIP3 H149761 -1.612 2.636 1.253 1448TIP3 H249762 -1.694 2.666 1.377 1448TIP3 OH249763 -1.773 2.658 1.593 1448TIP3 H149764 -1.708 2.605 1.645 1448TIP3 H249765 -1.750 2.749 1.619 1448TIP3 OH249766 -2.091 2.415 1.615 1448TIP3 H149767 -2.161 2.455 1.670 1448TIP3 H249768 -2.039 2.494 1.590 1448TIP3 OH249769 -1.308 1.669 2.633 1448TIP3 H149770 -1.256 1.678 2.714 1448TIP3 H249771 -1.372 1.600 2.659 1448TIP3 OH249772 -1.259 1.609 1.732 1448TIP3 H149773 -1.245 1.669 1.657 1448TIP3 H249774 -1.218 1.660 1.804 1448TIP3 OH249775 -1.471 2.844 1.648 1448TIP3 H149776 -1.561 2.879 1.651 1448TIP3 H249777 -1.438 2.870 1.561 1449TIP3 OH249778 -1.511 1.807 1.842 1449TIP3 H149779 -1.442 1.876 1.852 1449TIP3 H249780 -1.539 1.793 1.934 1449TIP3 OH249781 -1.484 1.895 2.757 1449TIP3 H149782 -1.480 1.950 2.837 1449TIP3 H249783 -1.426 1.822 2.779 1449TIP3 OH249784 -1.456 1.494 1.935 1449TIP3 H149785 -1.479 1.569 1.992 1449TIP3 H249786 -1.386 1.532 1.879 1449TIP3 OH249787 -1.762 2.937 1.637 1449TIP3 H149788 -1.764 3.020 1.587 1449TIP3 H249789 -1.768 2.968 1.729 1449TIP3 OH249790 -1.881 1.614 1.581 1449TIP3 H149791 -1.887 1.687 1.644 1449TIP3 H249792 -1.801 1.568 1.614 1449TIP3 OH249793 -1.004 2.082 2.253 1449TIP3 H149794 -1.081 2.039 2.213 1449TIP3 H249795 -0.956 2.007 2.292 1449TIP3 OH249796 -2.042 2.695 1.492 1449TIP3 H149797 -1.970 2.744 1.535 1449TIP3 H249798 -1.989 2.642 1.430 1449TIP3 OH249799 -2.226 1.916 1.408 1449TIP3 H149800 -2.217 2.011 1.430 1449TIP3 H249801 -2.312 1.913 1.364 1449TIP3 OH249802 -0.902 2.972 2.393 1449TIP3 H149803 -0.920 3.050 2.337 1449TIP3 H249804 -0.808 2.985 2.411 1449TIP3 OH249805 -2.142 1.419 2.285 1449TIP3 H149806 -2.155 1.415 2.188 1449TIP3 H249807 -2.176 1.334 2.314 1450TIP3 OH249808 -2.253 2.767 1.915 1450TIP3 H149809 -2.331 2.822 1.933 1450TIP3 H249810 -2.210 2.817 1.844 1450TIP3 OH249811 -2.312 3.059 3.028 1450TIP3 H149812 -2.253 3.031 3.101 1450TIP3 H249813 -2.350 2.973 3.000 1450TIP3 OH249814 -1.839 2.966 3.208 1450TIP3 H149815 -1.772 2.898 3.227 1450TIP3 H249816 -1.865 2.941 3.118 1450TIP3 OH249817 -1.433 2.883 1.355 1450TIP3 H149818 -1.508 2.822 1.343 1450TIP3 H249819 -1.361 2.837 1.308 1450TIP3 OH249820 -1.196 2.796 3.068 1450TIP3 H149821 -1.234 2.712 3.102 1450TIP3 H249822 -1.124 2.813 3.132 1450TIP3 OH249823 -0.984 2.867 1.363 1450TIP3 H149824 -0.965 2.795 1.424 1450TIP3 H249825 -0.899 2.877 1.316 1450TIP3 OH249826 -2.314 2.425 3.139 1450TIP3 H149827 -2.306 2.332 3.111 1450TIP3 H249828 -2.393 2.452 3.087 1450TIP3 OH249829 -1.886 2.464 1.337 1450TIP3 H149830 -1.864 2.404 1.412 1450TIP3 H249831 -1.821 2.440 1.271 1450TIP3 OH249832 -1.653 2.441 3.074 1450TIP3 H149833 -1.683 2.474 2.988 1450TIP3 H249834 -1.646 2.345 3.059 1450TIP3 OH249835 -1.386 2.556 1.320 1450TIP3 H149836 -1.390 2.580 1.414 1450TIP3 H249837 -1.367 2.462 1.325 1451TIP3 OH249838 -1.115 2.404 2.816 1451TIP3 H149839 -1.039 2.458 2.791 1451TIP3 H249840 -1.187 2.469 2.811 1451TIP3 OH249841 -2.228 2.141 3.056 1451TIP3 H149842 -2.161 2.072 3.057 1451TIP3 H249843 -2.236 2.157 3.152 1451TIP3 OH249844 -1.783 2.268 1.554 1451TIP3 H149845 -1.837 2.224 1.622 1451TIP3 H249846 -1.741 2.193 1.510 1451TIP3 OH249847 -1.865 2.047 2.798 1451TIP3 H149848 -1.917 2.126 2.822 1451TIP3 H249849 -1.799 2.085 2.737 1451TIP3 OH249850 -1.333 2.320 3.158 1451TIP3 H149851 -1.244 2.301 3.126 1451TIP3 H249852 -1.360 2.235 3.195 1451TIP3 OH249853 -0.736 2.316 1.319 1451TIP3 H149854 -0.787 2.296 1.240 1451TIP3 H249855 -0.742 2.414 1.319 1451TIP3 OH249856 -1.802 1.780 2.914 1451TIP3 H149857 -1.798 1.713 2.844 1451TIP3 H249858 -1.826 1.860 2.864 1451TIP3 OH249859 -1.771 1.622 2.659 1451TIP3 H149860 -1.719 1.678 2.598 1451TIP3 H249861 -1.862 1.628 2.625 1451TIP3 OH249862 -1.615 2.169 2.700 1451TIP3 H149863 -1.531 2.162 2.652 1451TIP3 H249864 -1.647 2.256 2.670 1451TIP3 OH249865 -1.158 1.962 3.174 1451TIP3 H149866 -1.139 1.870 3.198 1451TIP3 H249867 -1.069 2.002 3.179 1452TIP3 OH249868 -1.057 2.235 3.020 1452TIP3 H149869 -1.095 2.297 2.955 1452TIP3 H249870 -0.965 2.231 2.988 1452TIP3 OH249871 -1.979 1.965 3.092 1452TIP3 H149872 -2.038 1.888 3.099 1452TIP3 H249873 -1.902 1.926 3.048 1452TIP3 OH249874 -1.699 1.355 2.694 1452TIP3 H149875 -1.714 1.451 2.679 1452TIP3 H249876 -1.771 1.317 2.641 1452TIP3 OH249877 -1.569 1.812 3.073 1452TIP3 H149878 -1.605 1.792 3.161 1452TIP3 H249879 -1.649 1.795 3.019 1452TIP3 OH249880 -1.313 1.716 2.951 1452TIP3 H149881 -1.401 1.728 2.992 1452TIP3 H249882 -1.269 1.659 3.017 1452TIP3 OH249883 -1.132 1.571 3.133 1452TIP3 H149884 -1.148 1.475 3.148 1452TIP3 H249885 -1.152 1.611 3.219 1452TIP3 OH249886 -2.115 1.707 3.079 1452TIP3 H149887 -2.127 1.637 3.012 1452TIP3 H249888 -2.139 1.660 3.161 1452TIP3 OH249889 -1.716 1.306 2.977 1452TIP3 H149890 -1.656 1.230 2.983 1452TIP3 H249891 -1.718 1.322 2.881 1452TIP3 OH249892 -1.621 1.492 3.161 1452TIP3 H149893 -1.656 1.434 3.091 1452TIP3 H249894 -1.689 1.562 3.166 1452TIP3 OH249895 -1.714 3.193 1.507 1452TIP3 H149896 -1.620 3.204 1.523 1452TIP3 H249897 -1.724 3.245 1.426 1453TIP3 OH249898 -2.322 2.636 1.467 1453TIP3 H149899 -2.226 2.654 1.476 1453TIP3 H249900 -2.321 2.560 1.406 1453TIP3 OH249901 -2.425 3.157 1.942 1453TIP3 H149902 -2.496 3.118 1.888 1453TIP3 H249903 -2.411 3.088 2.010 1453TIP3 OH249904 -2.388 2.959 2.138 1453TIP3 H149905 -2.412 2.870 2.169 1453TIP3 H249906 -2.347 2.993 2.219 1453TIP3 OH249907 -0.630 3.088 2.438 1453TIP3 H149908 -0.612 3.081 2.533 1453TIP3 H249909 -0.544 3.113 2.403 1453TIP3 OH249910 -0.641 3.030 2.727 1453TIP3 H149911 -0.692 2.955 2.690 1453TIP3 H249912 -0.584 2.983 2.789 1453TIP3 OH249913 -0.840 2.569 3.157 1453TIP3 H149914 -0.929 2.579 3.195 1453TIP3 H249915 -0.795 2.650 3.185 1453TIP3 OH249916 -0.716 2.466 1.707 1453TIP3 H149917 -0.633 2.494 1.748 1453TIP3 H249918 -0.757 2.415 1.779 1453TIP3 OH249919 -0.653 2.249 1.923 1453TIP3 H149920 -0.731 2.205 1.961 1453TIP3 H249921 -0.593 2.262 1.998 1453TIP3 OH249922 -0.679 2.508 2.427 1453TIP3 H149923 -0.622 2.458 2.366 1453TIP3 H249924 -0.671 2.599 2.392 1453TIP3 OH249925 -0.810 2.800 2.649 1453TIP3 H149926 -0.885 2.839 2.697 1453TIP3 H249927 -0.855 2.764 2.569 1454TIP3 OH249928 -0.627 2.206 1.588 1454TIP3 H149929 -0.682 2.230 1.512 1454TIP3 H249930 -0.647 2.278 1.650 1454TIP3 OH249931 -0.781 1.957 1.399 1454TIP3 H149932 -0.791 2.010 1.319 1454TIP3 H249933 -0.827 1.875 1.373 1454TIP3 OH249934 -0.888 2.096 1.978 1454TIP3 H149935 -0.893 2.001 1.963 1454TIP3 H249936 -0.929 2.109 2.065 1454TIP3 OH249937 -2.378 2.298 2.379 1454TIP3 H149938 -2.353 2.299 2.285 1454TIP3 H249939 -2.292 2.273 2.418 1454TIP3 OH249940 -0.788 2.254 2.941 1454TIP3 H149941 -0.709 2.198 2.942 1454TIP3 H249942 -0.752 2.336 2.904 1454TIP3 OH249943 -0.625 2.021 3.056 1454TIP3 H149944 -0.706 1.991 3.009 1454TIP3 H249945 -0.552 1.978 3.010 1454TIP3 OH249946 -0.871 1.695 1.331 1454TIP3 H149947 -0.818 1.642 1.393 1454TIP3 H249948 -0.962 1.662 1.344 1454TIP3 OH249949 -0.872 1.828 1.833 1454TIP3 H149950 -0.847 1.733 1.838 1454TIP3 H249951 -0.794 1.863 1.787 1454TIP3 OH249952 -0.851 1.876 2.372 1454TIP3 H149953 -0.756 1.895 2.365 1454TIP3 H249954 -0.864 1.884 2.468 1454TIP3 OH249955 -0.805 1.924 2.669 1454TIP3 H149956 -0.892 1.959 2.693 1454TIP3 H249957 -0.757 2.005 2.642 1455TIP3 OH249958 -2.386 1.827 3.009 1455TIP3 H149959 -2.293 1.805 3.024 1455TIP3 H249960 -2.430 1.742 3.026 1455TIP3 OH249961 -0.600 1.403 3.125 1455TIP3 H149962 -0.555 1.317 3.117 1455TIP3 H249963 -0.529 1.462 3.096 1455TIP3 OH249964 -0.826 1.552 1.824 1455TIP3 H149965 -0.817 1.512 1.912 1455TIP3 H249966 -0.898 1.498 1.785 1455TIP3 OH249967 -2.309 1.661 2.299 1455TIP3 H149968 -2.262 1.576 2.303 1455TIP3 H249969 -2.239 1.722 2.332 1455TIP3 OH249970 -2.455 1.930 2.401 1455TIP3 H149971 -2.395 1.924 2.324 1455TIP3 H249972 -2.416 2.004 2.448 1455TIP3 OH249973 -0.626 1.580 1.482 1455TIP3 H149974 -0.595 1.507 1.428 1455TIP3 H249975 -0.544 1.631 1.492 1455TIP3 OH249976 -2.404 1.565 1.809 1455TIP3 H149977 -2.499 1.568 1.786 1455TIP3 H249978 -2.363 1.624 1.742 1455TIP3 OH249979 -0.940 3.101 2.016 1455TIP3 H149980 -0.897 3.066 1.936 1455TIP3 H249981 -0.865 3.123 2.072 1455TIP3 OH249982 -2.400 1.450 2.621 1455TIP3 H149983 -2.470 1.426 2.684 1455TIP3 H249984 -2.450 1.503 2.557 1455TIP3 OH249985 -2.201 2.766 3.090 1455TIP3 H149986 -2.273 2.757 3.026 1455TIP3 H249987 -2.246 2.752 3.175 1456TIP3 OH249988 -1.918 2.859 2.658 1456TIP3 H149989 -1.947 2.945 2.621 1456TIP3 H249990 -1.822 2.867 2.640 1456TIP3 OH249991 -1.468 2.991 2.959 1456TIP3 H149992 -1.452 2.971 3.052 1456TIP3 H249993 -1.384 3.034 2.933 1456TIP3 OH249994 -1.236 3.136 2.889 1456TIP3 H149995 -1.168 3.072 2.864 1456TIP3 H249996 -1.204 3.166 2.976 1456TIP3 OH249997 -0.766 1.436 2.814 1456TIP3 H149998 -0.840 1.440 2.751 1456TIP3 H249999 -0.731 1.346 2.793 1456TIP3 OH250000 -2.181 3.154 2.690 1456TIP3 H150001 -2.240 3.218 2.647 1456TIP3 H250002 -2.213 3.159 2.781 1456TIP3 OH250003 -1.931 3.132 2.547 1456TIP3 H150004 -2.016 3.151 2.590 1456TIP3 H250005 -1.926 3.200 2.478 1456TIP3 OH250006 -1.457 3.130 2.502 1456TIP3 H150007 -1.493 3.173 2.422 1456TIP3 H250008 -1.448 3.206 2.562 1456TIP3 OH250009 -1.224 3.005 2.599 1456TIP3 H150010 -1.307 3.036 2.559 1456TIP3 H250011 -1.166 3.082 2.588 1456TIP3 OH250012 -0.967 3.177 2.613 1456TIP3 H150013 -0.975 3.270 2.585 1456TIP3 H250014 -0.941 3.134 2.530 1456TIP3 OH250015 -2.224 3.032 2.383 1456TIP3 H150016 -2.223 2.985 2.470 1456TIP3 H250017 -2.145 2.990 2.341 1457TIP3 OH250018 -2.021 2.911 2.231 1457TIP3 H150019 -2.033 2.816 2.253 1457TIP3 H250020 -1.928 2.925 2.258 1457TIP3 OH250021 -1.747 2.956 2.318 1457TIP3 H150022 -1.722 2.866 2.292 1457TIP3 H250023 -1.737 2.950 2.415 1457TIP3 OH250024 -1.407 1.543 2.250 1457TIP3 H150025 -1.479 1.477 2.259 1457TIP3 H250026 -1.350 1.502 2.183 1457TIP3 OH250027 -0.916 1.348 2.294 1457TIP3 H150028 -0.839 1.390 2.250 1457TIP3 H250029 -0.990 1.378 2.238 1457TIP3 OH250030 -0.709 1.456 2.085 1457TIP3 H150031 -0.643 1.408 2.031 1457TIP3 H250032 -0.674 1.547 2.084 1457TIP3 OH250033 -2.171 1.406 2.005 1457TIP3 H150034 -2.256 1.391 1.960 1457TIP3 H250035 -2.125 1.322 1.986 1457TIP3 OH250036 -2.295 1.365 1.595 1457TIP3 H150037 -2.245 1.429 1.540 1457TIP3 H250038 -2.335 1.422 1.662 1457TIP3 OH250039 -1.734 1.400 1.983 1457TIP3 H150040 -1.639 1.417 1.971 1457TIP3 H250041 -1.737 1.364 2.073 1457TIP3 OH250042 -1.164 1.399 2.135 1457TIP3 H150043 -1.147 1.394 2.040 1457TIP3 H250044 -1.208 1.314 2.153 1457TIP3 OH250045 -1.050 1.407 1.719 1457TIP3 H150046 -1.131 1.457 1.699 1457TIP3 H250047 -1.085 1.316 1.732 1458TIP3 OH250048 -2.283 2.961 1.710 1458TIP3 H150049 -2.340 2.949 1.633 1458TIP3 H250050 -2.276 3.057 1.713 1458TIP3 OH250051 -2.124 1.548 1.432 1458TIP3 H150052 -2.065 1.491 1.380 1458TIP3 H250053 -2.062 1.582 1.500 1458TIP3 OH250054 -1.620 1.559 1.695 1458TIP3 H150055 -1.578 1.502 1.761 1458TIP3 H250056 -1.591 1.646 1.726 1458TIP3 OH250057 -1.409 3.141 1.519 1458TIP3 H150058 -1.312 3.141 1.515 1458TIP3 H250059 -1.429 3.073 1.452 1458TIP3 OH250060 -0.758 3.046 1.778 1458TIP3 H150061 -0.780 2.959 1.737 1458TIP3 H250062 -0.764 3.105 1.701 1458TIP3 OH250063 -2.195 1.438 2.953 1458TIP3 H150064 -2.236 1.360 2.993 1458TIP3 H250065 -2.104 1.429 2.985 1458TIP3 OH250066 -1.957 1.378 3.130 1458TIP3 H150067 -1.875 1.340 3.090 1458TIP3 H250068 -1.993 1.299 3.174 1458TIP3 OH250069 -2.138 3.048 1.388 1458TIP3 H150070 -2.151 3.083 1.477 1458TIP3 H250071 -2.054 2.999 1.396 1458TIP3 OH250072 -1.148 1.289 3.145 1458TIP3 H150073 -1.146 1.248 3.234 1458TIP3 H250074 -1.053 1.285 3.121 1458TIP3 OH250075 -0.809 2.922 3.016 1458TIP3 H150076 -0.882 2.903 2.954 1458TIP3 H250077 -0.827 3.016 3.036 1459TIP3 OH250078 0.611 2.290 2.030 1459TIP3 H150079 0.610 2.387 2.039 1459TIP3 H250080 0.536 2.276 1.972 1459TIP3 OH250081 0.494 2.235 2.338 1459TIP3 H150082 0.495 2.178 2.416 1459TIP3 H250083 0.470 2.173 2.268 1459TIP3 OH250084 -0.258 2.194 2.506 1459TIP3 H150085 -0.256 2.119 2.567 1459TIP3 H250086 -0.183 2.247 2.537 1459TIP3 OH250087 0.864 2.510 2.169 1459TIP3 H150088 0.827 2.437 2.220 1459TIP3 H250089 0.893 2.569 2.239 1459TIP3 OH250090 -0.191 2.657 2.354 1459TIP3 H150091 -0.214 2.566 2.328 1459TIP3 H250092 -0.098 2.644 2.376 1459TIP3 OH250093 -0.494 1.999 1.896 1459TIP3 H150094 -0.536 2.087 1.895 1459TIP3 H250095 -0.559 1.946 1.849 1459TIP3 OH250096 -0.410 2.245 2.084 1459TIP3 H150097 -0.397 2.158 2.126 1459TIP3 H250098 -0.331 2.252 2.029 1459TIP3 OH250099 0.572 3.045 2.226 1459TIP3 H150100 0.629 2.974 2.192 1459TIP3 H250101 0.543 3.009 2.311 1459TIP3 OH250102 0.345 2.486 2.394 1459TIP3 H150103 0.376 2.413 2.337 1459TIP3 H250104 0.426 2.500 2.445 1459TIP3 OH250105 1.211 1.638 2.457 1459TIP3 H150106 1.237 1.699 2.528 1459TIP3 H250107 1.273 1.665 2.387 1460TIP3 OH250108 0.675 1.919 2.444 1460TIP3 H150109 0.688 1.823 2.451 1460TIP3 H250110 0.666 1.930 2.348 1460TIP3 OH250111 -0.032 1.720 2.153 1460TIP3 H150112 -0.014 1.804 2.107 1460TIP3 H250113 -0.063 1.666 2.078 1460TIP3 OH250114 0.757 1.737 1.984 1460TIP3 H150115 0.815 1.694 2.051 1460TIP3 H250116 0.823 1.780 1.928 1460TIP3 OH250117 -0.361 1.991 2.204 1460TIP3 H150118 -0.294 1.945 2.257 1460TIP3 H250119 -0.352 1.946 2.118 1460TIP3 OH250120 0.178 2.131 2.150 1460TIP3 H150121 0.250 2.077 2.188 1460TIP3 H250122 0.129 2.065 2.098 1460TIP3 OH250123 1.286 1.776 2.706 1460TIP3 H150124 1.226 1.846 2.677 1460TIP3 H250125 1.261 1.770 2.800 1460TIP3 OH250126 -0.156 1.595 2.571 1460TIP3 H150127 -0.188 1.645 2.495 1460TIP3 H250128 -0.214 1.626 2.642 1460TIP3 OH250129 0.603 2.577 1.907 1460TIP3 H150130 0.570 2.550 1.821 1460TIP3 H250131 0.554 2.659 1.925 1460TIP3 OH250132 0.146 2.388 2.581 1460TIP3 H150133 0.072 2.448 2.605 1460TIP3 H250134 0.208 2.448 2.536 1460TIP3 OH250135 0.939 1.662 2.187 1460TIP3 H150136 0.901 1.600 2.251 1460TIP3 H250137 0.993 1.720 2.244 1461TIP3 OH250138 -0.188 1.801 2.364 1461TIP3 H150139 -0.123 1.860 2.408 1461TIP3 H250140 -0.132 1.766 2.291 1461TIP3 OH250141 -0.057 2.574 2.652 1461TIP3 H150142 -0.060 2.667 2.622 1461TIP3 H250143 -0.143 2.568 2.697 1461TIP3 OH250144 -0.431 2.542 1.741 1461TIP3 H150145 -0.454 2.590 1.660 1461TIP3 H250146 -0.417 2.612 1.807 1461TIP3 OH250147 0.920 2.690 2.420 1461TIP3 H150148 0.823 2.701 2.421 1461TIP3 H250149 0.948 2.775 2.381 1461TIP3 OH250150 0.953 1.580 2.573 1461TIP3 H150151 0.875 1.615 2.525 1461TIP3 H250152 1.025 1.595 2.509 1461TIP3 OH250153 0.265 1.350 2.274 1461TIP3 H150154 0.246 1.254 2.271 1461TIP3 H250155 0.184 1.385 2.314 1461TIP3 OH250156 0.751 2.883 2.077 1461TIP3 H150157 0.798 2.803 2.046 1461TIP3 H250158 0.818 2.952 2.062 1461TIP3 OH250159 0.895 2.670 1.937 1461TIP3 H150160 0.844 2.623 1.870 1461TIP3 H250161 0.890 2.606 2.011 1461TIP3 OH250162 1.049 2.553 2.786 1461TIP3 H150163 1.039 2.486 2.715 1461TIP3 H250164 1.064 2.635 2.735 1461TIP3 OH250165 0.477 2.244 1.757 1461TIP3 H150166 0.410 2.301 1.714 1461TIP3 H250167 0.548 2.245 1.690 1462TIP3 OH250168 0.503 2.062 1.463 1462TIP3 H150169 0.575 2.092 1.521 1462TIP3 H250170 0.552 2.004 1.403 1462TIP3 OH250171 1.225 2.169 2.580 1462TIP3 H150172 1.154 2.235 2.588 1462TIP3 H250173 1.274 2.203 2.503 1462TIP3 OH250174 0.828 2.243 1.864 1462TIP3 H150175 0.759 2.263 1.931 1462TIP3 H250176 0.888 2.186 1.915 1462TIP3 OH250177 0.811 2.096 2.748 1462TIP3 H150178 0.816 2.178 2.799 1462TIP3 H250179 0.746 2.123 2.681 1462TIP3 OH250180 -0.014 2.319 2.041 1462TIP3 H150181 -0.045 2.276 1.959 1462TIP3 H250182 0.051 2.255 2.074 1462TIP3 OH250183 0.124 2.661 2.314 1462TIP3 H150184 0.112 2.620 2.227 1462TIP3 H250185 0.203 2.614 2.348 1462TIP3 OH250186 0.044 2.201 2.391 1462TIP3 H150187 0.101 2.201 2.311 1462TIP3 H250188 0.087 2.266 2.448 1462TIP3 OH250189 0.638 2.753 2.448 1462TIP3 H150190 0.643 2.818 2.520 1462TIP3 H250191 0.617 2.670 2.494 1462TIP3 OH250192 0.130 2.633 2.872 1462TIP3 H150193 0.078 2.698 2.922 1462TIP3 H250194 0.066 2.605 2.804 1462TIP3 OH250195 0.723 2.188 1.608 1462TIP3 H150196 0.772 2.215 1.689 1462TIP3 H250197 0.772 2.239 1.538 1463TIP3 OH250198 -0.178 2.277 2.784 1463TIP3 H150199 -0.172 2.331 2.865 1463TIP3 H250200 -0.273 2.261 2.777 1463TIP3 OH250201 0.468 2.847 1.965 1463TIP3 H150202 0.516 2.875 2.044 1463TIP3 H250203 0.419 2.926 1.939 1463TIP3 OH250204 -0.061 2.853 2.956 1463TIP3 H150205 -0.071 2.854 2.859 1463TIP3 H250206 -0.149 2.823 2.987 1463TIP3 OH250207 1.086 1.341 1.559 1463TIP3 H150208 0.997 1.344 1.597 1463TIP3 H250209 1.116 1.432 1.568 1463TIP3 OH250210 -0.124 2.196 1.798 1463TIP3 H150211 -0.142 2.270 1.738 1463TIP3 H250212 -0.185 2.128 1.766 1463TIP3 OH250213 1.204 2.775 1.412 1463TIP3 H150214 1.220 2.868 1.437 1463TIP3 H250215 1.291 2.734 1.431 1463TIP3 OH250216 -0.515 2.463 2.667 1463TIP3 H150217 -0.560 2.464 2.580 1463TIP3 H250218 -0.502 2.367 2.682 1463TIP3 OH250219 -0.509 2.757 2.359 1463TIP3 H150220 -0.418 2.723 2.363 1463TIP3 H250221 -0.512 2.813 2.438 1463TIP3 OH250222 1.329 2.813 2.937 1463TIP3 H150223 1.319 2.718 2.919 1463TIP3 H250224 1.238 2.837 2.965 1463TIP3 OH250225 0.393 2.738 2.816 1463TIP3 H150226 0.401 2.820 2.870 1463TIP3 H250227 0.303 2.707 2.840 1464TIP3 OH250228 0.419 3.120 1.816 1464TIP3 H150229 0.422 3.126 1.719 1464TIP3 H250230 0.430 3.212 1.843 1464TIP3 OH250231 -0.199 3.034 1.978 1464TIP3 H150232 -0.183 2.987 2.062 1464TIP3 H250233 -0.279 2.990 1.946 1464TIP3 OH250234 0.753 3.061 1.533 1464TIP3 H150235 0.810 2.996 1.488 1464TIP3 H250236 0.747 3.023 1.623 1464TIP3 OH250237 0.691 3.005 1.814 1464TIP3 H150238 0.595 3.014 1.827 1464TIP3 H250239 0.709 2.931 1.875 1464TIP3 OH250240 1.007 1.952 2.978 1464TIP3 H150241 0.956 1.990 2.906 1464TIP3 H250242 1.012 1.858 2.951 1464TIP3 OH250243 -0.298 2.617 2.794 1464TIP3 H150244 -0.268 2.568 2.873 1464TIP3 H250245 -0.369 2.560 2.757 1464TIP3 OH250246 0.023 1.461 2.368 1464TIP3 H150247 -0.059 1.460 2.315 1464TIP3 H250248 0.005 1.537 2.427 1464TIP3 OH250249 0.460 1.417 2.723 1464TIP3 H150250 0.515 1.374 2.792 1464TIP3 H250251 0.370 1.391 2.750 1464TIP3 OH250252 0.775 1.799 2.789 1464TIP3 H150253 0.714 1.785 2.864 1464TIP3 H250254 0.767 1.894 2.772 1464TIP3 OH250255 0.874 2.295 1.400 1464TIP3 H150256 0.856 2.270 1.307 1464TIP3 H250257 0.969 2.316 1.396 1465TIP3 OH250258 0.444 1.676 1.465 1465TIP3 H150259 0.395 1.660 1.547 1465TIP3 H250260 0.401 1.611 1.406 1465TIP3 OH250261 0.007 1.941 2.506 1465TIP3 H150262 -0.041 1.957 2.589 1465TIP3 H250263 0.019 2.033 2.472 1465TIP3 OH250264 0.004 1.950 1.997 1465TIP3 H150265 -0.092 1.939 1.979 1465TIP3 H250266 0.040 1.929 1.908 1465TIP3 OH250267 0.565 2.006 1.875 1465TIP3 H150268 0.525 2.088 1.840 1465TIP3 H250269 0.633 1.988 1.808 1465TIP3 OH250270 0.492 2.036 3.003 1465TIP3 H150271 0.439 1.962 3.040 1465TIP3 H250272 0.579 2.019 3.043 1465TIP3 OH250273 0.650 1.946 2.152 1465TIP3 H150274 0.621 2.002 2.078 1465TIP3 H250275 0.672 1.864 2.103 1465TIP3 OH250276 -0.268 1.961 2.701 1465TIP3 H150277 -0.212 1.987 2.777 1465TIP3 H250278 -0.295 1.871 2.726 1465TIP3 OH250279 0.087 1.721 1.352 1465TIP3 H150280 0.051 1.683 1.434 1465TIP3 H250281 0.007 1.733 1.299 1465TIP3 OH250282 -0.572 1.701 2.056 1465TIP3 H150283 -0.505 1.697 2.126 1465TIP3 H250284 -0.527 1.664 1.977 1465TIP3 OH250285 -0.409 1.748 1.628 1465TIP3 H150286 -0.357 1.795 1.560 1465TIP3 H250287 -0.483 1.809 1.645 1466TIP3 OH250288 0.560 2.113 2.599 1466TIP3 H150289 0.604 2.041 2.548 1466TIP3 H250290 0.528 2.064 2.676 1466TIP3 OH250291 0.281 1.711 2.100 1466TIP3 H150292 0.187 1.701 2.122 1466TIP3 H250293 0.323 1.687 2.185 1466TIP3 OH250294 -0.264 1.831 1.967 1466TIP3 H150295 -0.345 1.855 1.920 1466TIP3 H250296 -0.234 1.751 1.920 1466TIP3 OH250297 0.101 1.869 1.738 1466TIP3 H150298 0.198 1.871 1.741 1466TIP3 H250299 0.078 1.925 1.663 1466TIP3 OH250300 0.719 1.623 2.403 1466TIP3 H150301 0.654 1.622 2.477 1466TIP3 H250302 0.663 1.589 2.331 1466TIP3 OH250303 -0.057 1.993 1.510 1466TIP3 H150304 -0.111 1.958 1.438 1466TIP3 H250305 0.027 2.009 1.464 1466TIP3 OH250306 1.019 3.201 3.068 1466TIP3 H150307 1.043 3.245 2.985 1466TIP3 H250308 1.090 3.231 3.127 1466TIP3 OH250309 -0.190 2.463 3.010 1466TIP3 H150310 -0.120 2.469 3.080 1466TIP3 H250311 -0.269 2.462 3.068 1466TIP3 OH250312 0.382 1.963 2.283 1466TIP3 H150313 0.455 1.919 2.236 1466TIP3 H250314 0.366 1.901 2.357 1466TIP3 OH250315 -0.091 1.600 1.903 1466TIP3 H150316 -0.145 1.520 1.910 1466TIP3 H250317 -0.010 1.567 1.862 1467TIP3 OH250318 0.280 1.809 2.505 1467TIP3 H150319 0.202 1.866 2.510 1467TIP3 H250320 0.329 1.831 2.587 1467TIP3 OH250321 0.290 2.451 1.696 1467TIP3 H150322 0.217 2.396 1.661 1467TIP3 H250323 0.274 2.450 1.793 1467TIP3 OH250324 1.015 2.365 2.571 1467TIP3 H150325 1.066 2.418 2.505 1467TIP3 H250326 0.930 2.352 2.524 1467TIP3 OH250327 0.716 1.722 1.466 1467TIP3 H150328 0.618 1.721 1.464 1467TIP3 H250329 0.736 1.796 1.526 1467TIP3 OH250330 0.458 2.449 2.828 1467TIP3 H150331 0.428 2.415 2.913 1467TIP3 H250332 0.427 2.541 2.829 1467TIP3 OH250333 0.775 1.910 1.677 1467TIP3 H150334 0.863 1.894 1.717 1467TIP3 H250335 0.787 1.997 1.634 1467TIP3 OH250336 -0.191 2.388 2.279 1467TIP3 H150337 -0.138 2.376 2.198 1467TIP3 H250338 -0.182 2.300 2.320 1467TIP3 OH250339 0.533 2.584 1.588 1467TIP3 H150340 0.507 2.669 1.629 1467TIP3 H250341 0.459 2.527 1.616 1467TIP3 OH250342 -0.478 2.218 2.814 1467TIP3 H150343 -0.443 2.167 2.890 1467TIP3 H250344 -0.522 2.152 2.759 1467TIP3 OH250345 0.232 2.170 2.998 1467TIP3 H150346 0.201 2.139 2.911 1467TIP3 H250347 0.324 2.137 2.996 1468TIP3 OH250348 0.685 2.712 2.774 1468TIP3 H150349 0.588 2.715 2.769 1468TIP3 H250350 0.700 2.732 2.868 1468TIP3 OH250351 1.237 1.911 1.653 1468TIP3 H150352 1.181 1.890 1.577 1468TIP3 H250353 1.247 2.008 1.638 1468TIP3 OH250354 1.284 2.520 2.932 1468TIP3 H150355 1.189 2.539 2.913 1468TIP3 H250356 1.316 2.497 2.843 1468TIP3 OH250357 1.058 2.774 1.663 1468TIP3 H150358 1.034 2.696 1.716 1468TIP3 H250359 1.111 2.736 1.592 1468TIP3 OH250360 0.781 2.307 2.400 1468TIP3 H150361 0.688 2.290 2.376 1468TIP3 H250362 0.826 2.235 2.352 1468TIP3 OH250363 0.044 2.715 2.005 1468TIP3 H150364 0.087 2.800 1.991 1468TIP3 H250365 -0.047 2.734 1.979 1468TIP3 OH250366 -0.359 2.199 1.474 1468TIP3 H150367 -0.301 2.266 1.515 1468TIP3 H250368 -0.445 2.223 1.512 1468TIP3 OH250369 0.229 2.484 1.968 1468TIP3 H150370 0.196 2.575 1.981 1468TIP3 H250371 0.158 2.432 2.010 1468TIP3 OH250372 0.244 2.911 2.603 1468TIP3 H150373 0.302 2.984 2.574 1468TIP3 H250374 0.306 2.859 2.658 1468TIP3 OH250375 0.089 3.005 1.927 1468TIP3 H150376 -0.007 3.019 1.934 1468TIP3 H250377 0.124 3.093 1.949 1469TIP3 OH250378 0.586 2.486 2.559 1469TIP3 H150379 0.557 2.456 2.647 1469TIP3 H250380 0.659 2.424 2.540 1469TIP3 OH250381 0.803 2.619 1.452 1469TIP3 H150382 0.845 2.570 1.526 1469TIP3 H250383 0.710 2.601 1.474 1469TIP3 OH250384 0.880 2.942 2.799 1469TIP3 H150385 0.805 2.895 2.758 1469TIP3 H250386 0.889 3.020 2.741 1469TIP3 OH250387 1.276 3.042 1.505 1469TIP3 H150388 1.346 3.106 1.483 1469TIP3 H250389 1.199 3.101 1.504 1469TIP3 OH250390 -0.379 1.693 2.770 1469TIP3 H150391 -0.437 1.671 2.696 1469TIP3 H250392 -0.359 1.605 2.807 1469TIP3 OH250393 0.900 2.477 1.689 1469TIP3 H150394 0.872 2.404 1.747 1469TIP3 H250395 0.997 2.473 1.698 1469TIP3 OH250396 -0.360 2.855 2.607 1469TIP3 H150397 -0.330 2.764 2.620 1469TIP3 H250398 -0.335 2.894 2.692 1469TIP3 OH250399 0.226 2.721 1.309 1469TIP3 H150400 0.254 2.642 1.259 1469TIP3 H250401 0.184 2.680 1.387 1469TIP3 OH250402 0.110 2.672 1.579 1469TIP3 H150403 0.162 2.617 1.640 1469TIP3 H250404 0.126 2.762 1.613 1469TIP3 OH250405 -0.206 2.420 1.621 1469TIP3 H150406 -0.280 2.456 1.674 1469TIP3 H250407 -0.160 2.501 1.595 1470TIP3 OH250408 0.559 1.664 2.622 1470TIP3 H150409 0.622 1.685 2.693 1470TIP3 H250410 0.511 1.587 2.658 1470TIP3 OH250411 0.627 1.605 1.746 1470TIP3 H150412 0.643 1.658 1.667 1470TIP3 H250413 0.673 1.656 1.814 1470TIP3 OH250414 0.408 2.839 1.644 1470TIP3 H150415 0.323 2.884 1.657 1470TIP3 H250416 0.441 2.880 1.563 1470TIP3 OH250417 0.367 1.805 1.842 1470TIP3 H150418 0.443 1.865 1.855 1470TIP3 H250419 0.338 1.789 1.933 1470TIP3 OH250420 0.400 1.897 2.759 1470TIP3 H150421 0.411 1.949 2.841 1470TIP3 H250422 0.452 1.818 2.780 1470TIP3 OH250423 0.426 1.509 1.934 1470TIP3 H150424 0.407 1.578 2.001 1470TIP3 H250425 0.500 1.550 1.885 1470TIP3 OH250426 0.127 2.942 1.642 1470TIP3 H150427 0.119 3.023 1.588 1470TIP3 H250428 0.113 2.977 1.732 1470TIP3 OH250429 -0.000 1.608 1.589 1470TIP3 H150430 -0.003 1.683 1.650 1470TIP3 H250431 0.080 1.561 1.617 1470TIP3 OH250432 1.031 1.700 2.846 1470TIP3 H150433 0.934 1.711 2.833 1470TIP3 H250434 1.054 1.675 2.755 1470TIP3 OH250435 0.882 2.083 2.249 1470TIP3 H150436 0.800 2.037 2.221 1470TIP3 H250437 0.930 2.011 2.295 1471TIP3 OH250438 -0.162 2.698 1.495 1471TIP3 H150439 -0.086 2.744 1.535 1471TIP3 H250440 -0.115 2.647 1.428 1471TIP3 OH250441 -0.349 1.916 1.391 1471TIP3 H150442 -0.337 2.004 1.429 1471TIP3 H250443 -0.444 1.908 1.384 1471TIP3 OH250444 0.982 2.970 2.387 1471TIP3 H150445 0.967 3.052 2.337 1471TIP3 H250446 1.075 2.981 2.413 1471TIP3 OH250447 -0.264 1.421 2.284 1471TIP3 H150448 -0.273 1.413 2.187 1471TIP3 H250449 -0.288 1.332 2.314 1471TIP3 OH250450 -0.364 2.767 1.914 1471TIP3 H150451 -0.445 2.816 1.936 1471TIP3 H250452 -0.329 2.818 1.839 1471TIP3 OH250453 -0.426 3.059 3.028 1471TIP3 H150454 -0.367 3.031 3.101 1471TIP3 H250455 -0.464 2.973 3.000 1471TIP3 OH250456 0.042 2.965 3.207 1471TIP3 H150457 0.112 2.902 3.228 1471TIP3 H250458 0.021 2.938 3.116 1471TIP3 OH250459 0.448 2.890 1.360 1471TIP3 H150460 0.373 2.828 1.348 1471TIP3 H250461 0.520 2.836 1.322 1471TIP3 OH250462 0.690 2.793 3.066 1471TIP3 H150463 0.652 2.711 3.102 1471TIP3 H250464 0.760 2.813 3.130 1471TIP3 OH250465 0.912 2.883 1.370 1471TIP3 H150466 0.924 2.800 1.420 1471TIP3 H250467 0.992 2.883 1.314 1472TIP3 OH250468 -0.432 2.423 3.141 1472TIP3 H150469 -0.418 2.333 3.109 1472TIP3 H250470 -0.507 2.452 3.086 1472TIP3 OH250471 -0.011 2.463 1.338 1472TIP3 H150472 0.005 2.405 1.414 1472TIP3 H250473 0.077 2.460 1.295 1472TIP3 OH250474 0.232 2.441 3.075 1472TIP3 H150475 0.203 2.472 2.988 1472TIP3 H250476 0.240 2.344 3.061 1472TIP3 OH250477 0.515 2.597 1.304 1472TIP3 H150478 0.511 2.590 1.401 1472TIP3 H250479 0.511 2.501 1.281 1472TIP3 OH250480 0.770 2.402 2.814 1472TIP3 H150481 0.848 2.455 2.793 1472TIP3 H250482 0.700 2.470 2.811 1472TIP3 OH250483 -0.340 2.132 3.055 1472TIP3 H150484 -0.264 2.071 3.057 1472TIP3 H250485 -0.346 2.154 3.149 1472TIP3 OH250486 0.101 2.272 1.576 1472TIP3 H150487 0.039 2.220 1.630 1472TIP3 H250488 0.131 2.205 1.512 1472TIP3 OH250489 0.014 2.050 2.789 1472TIP3 H150490 -0.029 2.132 2.821 1472TIP3 H250491 0.089 2.086 2.738 1472TIP3 OH250492 0.196 2.073 1.403 1472TIP3 H150493 0.194 2.082 1.306 1472TIP3 H250494 0.292 2.068 1.419 1472TIP3 OH250495 0.554 2.322 3.160 1472TIP3 H150496 0.643 2.300 3.126 1472TIP3 H250497 0.526 2.236 3.195 1473TIP3 OH250498 1.146 2.322 1.330 1473TIP3 H150499 1.129 2.284 1.242 1473TIP3 H250500 1.137 2.417 1.309 1473TIP3 OH250501 0.060 1.775 2.912 1473TIP3 H150502 0.090 1.705 2.852 1473TIP3 H250503 0.066 1.854 2.856 1473TIP3 OH250504 0.115 1.624 2.662 1473TIP3 H150505 0.173 1.666 2.595 1473TIP3 H250506 0.027 1.626 2.621 1473TIP3 OH250507 0.266 2.168 2.700 1473TIP3 H150508 0.351 2.158 2.654 1473TIP3 H250509 0.239 2.257 2.669 1473TIP3 OH250510 0.730 1.964 3.182 1473TIP3 H150511 0.747 1.869 3.188 1473TIP3 H250512 0.820 1.999 3.174 1473TIP3 OH250513 0.823 2.242 3.029 1473TIP3 H150514 0.789 2.303 2.959 1473TIP3 H250515 0.912 2.225 2.993 1473TIP3 OH250516 -0.108 1.957 3.086 1473TIP3 H150517 -0.162 1.877 3.096 1473TIP3 H250518 -0.025 1.921 3.052 1473TIP3 OH250519 0.190 1.339 2.695 1473TIP3 H150520 0.167 1.430 2.720 1473TIP3 H250521 0.111 1.308 2.650 1473TIP3 OH250522 0.307 1.839 3.079 1473TIP3 H150523 0.294 1.792 3.164 1473TIP3 H250524 0.243 1.791 3.025 1473TIP3 OH250525 0.560 1.722 2.970 1473TIP3 H150526 0.469 1.710 3.002 1473TIP3 H250527 0.606 1.654 3.022 1474TIP3 OH250528 0.758 1.569 3.134 1474TIP3 H150529 0.734 1.475 3.143 1474TIP3 H250530 0.727 1.608 3.218 1474TIP3 OH250531 -0.282 1.718 3.078 1474TIP3 H150532 -0.252 1.650 3.017 1474TIP3 H250533 -0.275 1.674 3.165 1474TIP3 OH250534 0.171 3.198 1.512 1474TIP3 H150535 0.267 3.207 1.521 1474TIP3 H250536 0.158 3.241 1.426 1474TIP3 OH250537 -0.439 2.639 1.464 1474TIP3 H150538 -0.343 2.656 1.480 1474TIP3 H250539 -0.435 2.559 1.407 1474TIP3 OH250540 -0.540 3.157 1.939 1474TIP3 H150541 -0.610 3.118 1.883 1474TIP3 H250542 -0.528 3.087 2.006 1474TIP3 OH250543 -0.500 2.959 2.137 1474TIP3 H150544 -0.528 2.871 2.166 1474TIP3 H250545 -0.463 2.992 2.220 1474TIP3 OH250546 1.255 3.091 2.438 1474TIP3 H150547 1.273 3.080 2.533 1474TIP3 H250548 1.343 3.112 2.404 1474TIP3 OH250549 1.246 3.030 2.725 1474TIP3 H150550 1.193 2.955 2.690 1474TIP3 H250551 1.302 2.982 2.788 1474TIP3 OH250552 1.045 2.573 3.153 1474TIP3 H150553 0.957 2.579 3.194 1474TIP3 H250554 1.090 2.652 3.186 1474TIP3 OH250555 1.185 2.463 1.728 1474TIP3 H150556 1.276 2.494 1.745 1474TIP3 H250557 1.176 2.398 1.800 1475TIP3 OH250558 1.229 2.262 1.925 1475TIP3 H150559 1.164 2.202 1.968 1475TIP3 H250560 1.300 2.269 1.992 1475TIP3 OH250561 1.203 2.508 2.422 1475TIP3 H150562 1.265 2.457 2.368 1475TIP3 H250563 1.219 2.599 2.391 1475TIP3 OH250564 1.076 2.803 2.646 1475TIP3 H150565 1.002 2.838 2.698 1475TIP3 H250566 1.030 2.763 2.569 1475TIP3 OH250567 1.257 2.202 1.582 1475TIP3 H150568 1.206 2.230 1.504 1475TIP3 H250569 1.243 2.278 1.642 1475TIP3 OH250570 1.082 1.954 1.405 1475TIP3 H150571 1.113 2.012 1.334 1475TIP3 H250572 1.060 1.872 1.357 1475TIP3 OH250573 1.023 2.072 2.006 1475TIP3 H150574 1.018 1.976 1.990 1475TIP3 H250575 0.986 2.080 2.096 1475TIP3 OH250576 -0.491 2.291 2.376 1475TIP3 H150577 -0.467 2.297 2.282 1475TIP3 H250578 -0.403 2.271 2.415 1475TIP3 OH250579 1.085 2.265 2.922 1475TIP3 H150580 1.158 2.202 2.936 1475TIP3 H250581 1.132 2.347 2.902 1475TIP3 OH250582 1.239 2.074 3.046 1475TIP3 H150583 1.161 2.021 3.021 1475TIP3 H250584 1.311 2.008 3.040 1475TIP3 OH250585 1.037 1.685 1.316 1475TIP3 H150586 1.088 1.641 1.387 1475TIP3 H250587 0.953 1.635 1.316 1476TIP3 OH250588 1.010 1.821 1.825 1476TIP3 H150589 1.034 1.726 1.829 1476TIP3 H250590 1.091 1.857 1.784 1476TIP3 OH250591 1.035 1.884 2.368 1476TIP3 H150592 1.132 1.892 2.365 1476TIP3 H250593 1.020 1.883 2.464 1476TIP3 OH250594 1.051 1.951 2.651 1476TIP3 H150595 0.966 1.990 2.677 1476TIP3 H250596 1.104 2.031 2.628 1476TIP3 OH250597 1.308 1.368 3.180 1476TIP3 H150598 1.348 1.298 3.125 1476TIP3 H250599 1.310 1.444 3.119 1476TIP3 OH250600 1.059 1.542 1.821 1476TIP3 H150601 1.068 1.507 1.912 1476TIP3 H250602 0.984 1.490 1.787 1476TIP3 OH250603 -0.426 1.660 2.306 1476TIP3 H150604 -0.378 1.575 2.300 1476TIP3 H250605 -0.352 1.720 2.329 1476TIP3 OH250606 -0.565 1.926 2.412 1476TIP3 H150607 -0.511 1.918 2.331 1476TIP3 H250608 -0.531 2.009 2.448 1476TIP3 OH250609 1.244 1.572 3.003 1476TIP3 H150610 1.156 1.614 3.008 1476TIP3 H250611 1.233 1.516 2.924 1476TIP3 OH250612 1.252 1.599 1.495 1476TIP3 H150613 1.281 1.518 1.452 1476TIP3 H250614 1.336 1.648 1.502 1476TIP3 OH250615 -0.517 1.567 1.817 1476TIP3 H150616 -0.606 1.553 1.783 1476TIP3 H250617 -0.469 1.600 1.738 1477TIP3 OH250618 0.944 3.094 2.018 1477TIP3 H150619 0.989 3.065 1.937 1477TIP3 H250620 1.018 3.124 2.071 1477TIP3 OH250621 -0.516 1.472 2.636 1477TIP3 H150622 -0.576 1.404 2.667 1477TIP3 H250623 -0.564 1.507 2.557 1477TIP3 OH250624 -0.315 2.761 3.090 1477TIP3 H150625 -0.388 2.757 3.026 1477TIP3 H250626 -0.362 2.757 3.175 1477TIP3 OH250627 -0.032 2.859 2.657 1477TIP3 H150628 -0.061 2.945 2.622 1477TIP3 H250629 0.064 2.867 2.641 1477TIP3 OH250630 0.419 2.991 2.959 1477TIP3 H150631 0.434 2.972 3.053 1477TIP3 H250632 0.503 3.034 2.934 1477TIP3 OH250633 0.649 3.136 2.882 1477TIP3 H150634 0.717 3.071 2.859 1477TIP3 H250635 0.679 3.165 2.970 1477TIP3 OH250636 1.133 1.395 2.801 1477TIP3 H150637 1.051 1.414 2.751 1477TIP3 H250638 1.154 1.305 2.769 1477TIP3 OH250639 -0.294 3.155 2.690 1477TIP3 H150640 -0.354 3.218 2.646 1477TIP3 H250641 -0.328 3.158 2.781 1477TIP3 OH250642 -0.044 3.132 2.547 1477TIP3 H150643 -0.130 3.149 2.590 1477TIP3 H250644 -0.042 3.200 2.477 1477TIP3 OH250645 0.429 3.131 2.502 1477TIP3 H150646 0.392 3.175 2.424 1477TIP3 H250647 0.438 3.205 2.565 1478TIP3 OH250648 0.664 3.003 2.594 1478TIP3 H150649 0.579 3.038 2.560 1478TIP3 H250650 0.720 3.082 2.592 1478TIP3 OH250651 0.917 3.176 2.613 1478TIP3 H150652 0.913 3.271 2.589 1478TIP3 H250653 0.945 3.137 2.528 1478TIP3 OH250654 -0.336 3.034 2.385 1478TIP3 H150655 -0.338 2.984 2.470 1478TIP3 H250656 -0.261 2.990 2.341 1478TIP3 OH250657 -0.135 2.910 2.231 1478TIP3 H150658 -0.149 2.816 2.254 1478TIP3 H250659 -0.043 2.924 2.260 1478TIP3 OH250660 0.142 2.956 2.318 1478TIP3 H150661 0.161 2.863 2.294 1478TIP3 H250662 0.149 2.951 2.414 1478TIP3 OH250663 0.473 1.546 2.246 1478TIP3 H150664 0.405 1.477 2.263 1478TIP3 H250665 0.534 1.498 2.188 1478TIP3 OH250666 0.970 1.348 2.294 1478TIP3 H150667 1.046 1.390 2.250 1478TIP3 H250668 0.895 1.375 2.238 1478TIP3 OH250669 1.178 1.457 2.085 1478TIP3 H150670 1.245 1.411 2.030 1478TIP3 H250671 1.213 1.548 2.087 1478TIP3 OH250672 -0.294 1.394 2.006 1478TIP3 H150673 -0.377 1.392 1.954 1478TIP3 H250674 -0.255 1.308 1.981 1478TIP3 OH250675 0.155 1.402 1.992 1478TIP3 H150676 0.248 1.426 1.975 1478TIP3 H250677 0.157 1.387 2.087 1479TIP3 OH250678 0.718 1.401 2.134 1479TIP3 H150679 0.742 1.384 2.042 1479TIP3 H250680 0.677 1.316 2.159 1479TIP3 OH250681 0.830 1.395 1.722 1479TIP3 H150682 0.748 1.447 1.709 1479TIP3 H250683 0.793 1.307 1.744 1479TIP3 OH250684 -0.391 2.961 1.709 1479TIP3 H150685 -0.454 2.947 1.637 1479TIP3 H250686 -0.393 3.057 1.715 1479TIP3 OH250687 -0.239 1.574 1.414 1479TIP3 H150688 -0.203 1.489 1.383 1479TIP3 H250689 -0.193 1.582 1.499 1479TIP3 OH250690 0.270 1.563 1.696 1479TIP3 H150691 0.305 1.505 1.766 1479TIP3 H250692 0.291 1.649 1.734 1479TIP3 OH250693 0.477 3.144 1.519 1479TIP3 H150694 0.574 3.144 1.515 1479TIP3 H250695 0.456 3.078 1.452 1479TIP3 OH250696 1.125 3.046 1.778 1479TIP3 H150697 1.104 2.961 1.735 1479TIP3 H250698 1.125 3.106 1.702 1479TIP3 OH250699 -0.316 1.434 2.953 1479TIP3 H150700 -0.345 1.349 2.991 1479TIP3 H250701 -0.222 1.433 2.982 1479TIP3 OH250702 -0.085 1.376 3.122 1479TIP3 H150703 0.011 1.374 3.104 1479TIP3 H250704 -0.097 1.290 3.166 1479TIP3 OH250705 -0.248 3.056 1.387 1479TIP3 H150706 -0.271 3.082 1.477 1479TIP3 H250707 -0.170 2.998 1.401 1480TIP3 OH250708 0.739 1.289 3.148 1480TIP3 H150709 0.746 1.249 3.236 1480TIP3 H250710 0.832 1.287 3.118 1480TIP3 OH250711 1.077 2.923 3.016 1480TIP3 H150712 1.004 2.902 2.955 1480TIP3 H250713 1.058 3.017 3.036 1480TIP3 OH250714 2.500 2.291 2.025 1480TIP3 H150715 2.495 2.386 2.043 1480TIP3 H250716 2.419 2.277 1.974 1480TIP3 OH250717 2.395 2.229 2.337 1480TIP3 H150718 2.367 2.191 2.421 1480TIP3 H250719 2.353 2.168 2.273 1480TIP3 OH250720 1.631 2.196 2.504 1480TIP3 H150721 1.631 2.122 2.567 1480TIP3 H250722 1.708 2.246 2.536 1480TIP3 OH250723 2.752 2.508 2.169 1480TIP3 H150724 2.711 2.437 2.220 1480TIP3 H250725 2.775 2.571 2.239 1480TIP3 OH250726 1.697 2.657 2.356 1480TIP3 H150727 1.672 2.565 2.333 1480TIP3 H250728 1.786 2.641 2.390 1480TIP3 OH250729 1.395 1.997 1.891 1480TIP3 H150730 1.353 2.084 1.900 1480TIP3 H250731 1.324 1.945 1.852 1480TIP3 OH250732 1.473 2.242 2.076 1480TIP3 H150733 1.488 2.160 2.127 1480TIP3 H250734 1.559 2.254 2.033 1480TIP3 OH250735 2.460 3.046 2.226 1480TIP3 H150736 2.516 2.973 2.193 1480TIP3 H250737 2.427 3.010 2.309 1481TIP3 OH250738 2.232 2.492 2.372 1481TIP3 H150739 2.266 2.411 2.331 1481TIP3 H250740 2.287 2.496 2.452 1481TIP3 OH250741 3.100 1.634 2.461 1481TIP3 H150742 3.121 1.700 2.529 1481TIP3 H250743 3.156 1.666 2.387 1481TIP3 OH250744 2.561 1.920 2.448 1481TIP3 H150745 2.570 1.824 2.450 1481TIP3 H250746 2.549 1.937 2.353 1481TIP3 OH250747 1.860 1.719 2.152 1481TIP3 H150748 1.870 1.806 2.107 1481TIP3 H250749 1.823 1.667 2.079 1481TIP3 OH250750 2.643 1.735 1.984 1481TIP3 H150751 2.703 1.694 2.050 1481TIP3 H250752 2.706 1.782 1.928 1481TIP3 OH250753 1.526 1.993 2.203 1481TIP3 H150754 1.589 1.946 2.260 1481TIP3 H250755 1.534 1.944 2.119 1481TIP3 OH250756 2.063 2.132 2.152 1481TIP3 H150757 2.131 2.076 2.194 1481TIP3 H250758 2.010 2.066 2.104 1481TIP3 OH250759 3.171 1.775 2.707 1481TIP3 H150760 3.113 1.847 2.677 1481TIP3 H250761 3.149 1.772 2.801 1481TIP3 OH250762 1.739 1.599 2.568 1481TIP3 H150763 1.698 1.648 2.496 1481TIP3 H250764 1.672 1.612 2.638 1481TIP3 OH250765 2.493 2.580 1.905 1481TIP3 H150766 2.452 2.549 1.824 1481TIP3 H250767 2.441 2.661 1.926 1482TIP3 OH250768 2.830 1.656 2.190 1482TIP3 H150769 2.779 1.607 2.255 1482TIP3 H250770 2.876 1.722 2.245 1482TIP3 OH250771 1.698 1.803 2.363 1482TIP3 H150772 1.761 1.862 2.409 1482TIP3 H250773 1.756 1.767 2.292 1482TIP3 OH250774 1.841 2.553 2.620 1482TIP3 H150775 1.844 2.649 2.612 1482TIP3 H250776 1.767 2.538 2.680 1482TIP3 OH250777 1.461 2.545 1.741 1482TIP3 H150778 1.441 2.596 1.661 1482TIP3 H250779 1.478 2.615 1.808 1482TIP3 OH250780 2.808 2.691 2.421 1482TIP3 H150781 2.711 2.698 2.425 1482TIP3 H250782 2.830 2.777 2.381 1482TIP3 OH250783 2.840 1.565 2.573 1482TIP3 H150784 2.763 1.610 2.534 1482TIP3 H250785 2.911 1.590 2.511 1482TIP3 OH250786 2.161 1.338 2.296 1482TIP3 H150787 2.126 1.248 2.282 1482TIP3 H250788 2.079 1.385 2.323 1482TIP3 OH250789 2.639 2.882 2.080 1482TIP3 H150790 2.685 2.803 2.045 1482TIP3 H250791 2.703 2.953 2.061 1482TIP3 OH250792 2.784 2.668 1.936 1482TIP3 H150793 2.727 2.625 1.871 1482TIP3 H250794 2.777 2.605 2.010 1482TIP3 OH250795 2.941 2.555 2.786 1482TIP3 H150796 2.924 2.487 2.718 1482TIP3 H250797 2.948 2.635 2.732 1483TIP3 OH250798 2.361 2.242 1.757 1483TIP3 H150799 2.294 2.302 1.719 1483TIP3 H250800 2.431 2.247 1.690 1483TIP3 OH250801 2.390 2.061 1.462 1483TIP3 H150802 2.460 2.092 1.521 1483TIP3 H250803 2.440 2.004 1.402 1483TIP3 OH250804 3.112 2.170 2.580 1483TIP3 H150805 3.038 2.234 2.588 1483TIP3 H250806 3.159 2.205 2.502 1483TIP3 OH250807 2.715 2.242 1.862 1483TIP3 H150808 2.644 2.265 1.928 1483TIP3 H250809 2.772 2.186 1.916 1483TIP3 OH250810 2.697 2.099 2.744 1483TIP3 H150811 2.698 2.183 2.792 1483TIP3 H250812 2.621 2.117 2.685 1483TIP3 OH250813 1.873 2.321 2.039 1483TIP3 H150814 1.842 2.274 1.959 1483TIP3 H250815 1.935 2.257 2.078 1483TIP3 OH250816 2.014 2.670 2.310 1483TIP3 H150817 1.998 2.616 2.231 1483TIP3 H250818 2.083 2.616 2.354 1483TIP3 OH250819 1.934 2.220 2.402 1483TIP3 H150820 1.997 2.222 2.329 1483TIP3 H250821 1.979 2.272 2.471 1483TIP3 OH250822 2.533 2.751 2.449 1483TIP3 H150823 2.528 2.814 2.523 1483TIP3 H250824 2.501 2.668 2.488 1483TIP3 OH250825 2.022 2.642 2.880 1483TIP3 H150826 1.957 2.704 2.917 1483TIP3 H250827 1.970 2.596 2.811 1484TIP3 OH250828 2.609 2.187 1.609 1484TIP3 H150829 2.655 2.215 1.691 1484TIP3 H250830 2.658 2.239 1.541 1484TIP3 OH250831 1.703 2.267 2.787 1484TIP3 H150832 1.714 2.326 2.864 1484TIP3 H250833 1.607 2.258 2.782 1484TIP3 OH250834 2.358 2.849 1.963 1484TIP3 H150835 2.397 2.875 2.047 1484TIP3 H250836 2.304 2.925 1.939 1484TIP3 OH250837 1.822 2.855 2.952 1484TIP3 H150838 1.814 2.850 2.855 1484TIP3 H250839 1.735 2.822 2.983 1484TIP3 OH250840 2.954 1.359 1.562 1484TIP3 H150841 2.864 1.369 1.598 1484TIP3 H250842 2.987 1.450 1.564 1484TIP3 OH250843 1.765 2.193 1.795 1484TIP3 H150844 1.743 2.268 1.738 1484TIP3 H250845 1.699 2.128 1.768 1484TIP3 OH250846 3.090 2.774 1.411 1484TIP3 H150847 3.105 2.868 1.436 1484TIP3 H250848 3.176 2.734 1.433 1484TIP3 OH250849 1.368 2.462 2.668 1484TIP3 H150850 1.327 2.460 2.580 1484TIP3 H250851 1.386 2.368 2.685 1484TIP3 OH250852 1.377 2.757 2.359 1484TIP3 H150853 1.467 2.722 2.364 1484TIP3 H250854 1.374 2.811 2.439 1484TIP3 OH250855 3.208 2.818 2.937 1484TIP3 H150856 3.205 2.723 2.915 1484TIP3 H250857 3.119 2.832 2.970 1485TIP3 OH250858 2.275 2.748 2.807 1485TIP3 H150859 2.278 2.824 2.867 1485TIP3 H250860 2.190 2.706 2.834 1485TIP3 OH250861 2.307 3.120 1.815 1485TIP3 H150862 2.308 3.128 1.718 1485TIP3 H250863 2.314 3.212 1.844 1485TIP3 OH250864 1.688 3.034 1.979 1485TIP3 H150865 1.704 2.986 2.063 1485TIP3 H250866 1.607 2.990 1.948 1485TIP3 OH250867 2.638 3.061 1.532 1485TIP3 H150868 2.695 2.995 1.488 1485TIP3 H250869 2.632 3.023 1.622 1485TIP3 OH250870 2.577 3.004 1.814 1485TIP3 H150871 2.481 3.016 1.827 1485TIP3 H250872 2.592 2.929 1.875 1485TIP3 OH250873 2.896 1.952 2.977 1485TIP3 H150874 2.838 1.990 2.909 1485TIP3 H250875 2.896 1.858 2.951 1485TIP3 OH250876 1.602 2.619 2.788 1485TIP3 H150877 1.632 2.569 2.867 1485TIP3 H250878 1.530 2.564 2.754 1485TIP3 OH250879 1.913 1.461 2.365 1485TIP3 H150880 1.829 1.456 2.314 1485TIP3 H250881 1.891 1.536 2.423 1485TIP3 OH250882 2.347 1.418 2.731 1485TIP3 H150883 2.392 1.368 2.802 1485TIP3 H250884 2.253 1.393 2.742 1485TIP3 OH250885 2.667 1.801 2.789 1485TIP3 H150886 2.600 1.785 2.858 1485TIP3 H250887 2.652 1.894 2.765 1486TIP3 OH250888 2.764 2.295 1.410 1486TIP3 H150889 2.743 2.278 1.316 1486TIP3 H250890 2.858 2.320 1.403 1486TIP3 OH250891 2.327 1.669 1.459 1486TIP3 H150892 2.275 1.657 1.540 1486TIP3 H250893 2.284 1.604 1.401 1486TIP3 OH250894 1.893 1.949 2.501 1486TIP3 H150895 1.846 1.959 2.586 1486TIP3 H250896 1.906 2.042 2.475 1486TIP3 OH250897 1.890 1.949 1.997 1486TIP3 H150898 1.794 1.940 1.981 1486TIP3 H250899 1.924 1.930 1.908 1486TIP3 OH250900 2.449 2.005 1.875 1486TIP3 H150901 2.408 2.088 1.843 1486TIP3 H250902 2.517 1.990 1.808 1486TIP3 OH250903 2.373 2.026 3.013 1486TIP3 H150904 2.318 1.953 3.046 1486TIP3 H250905 2.459 2.008 3.055 1486TIP3 OH250906 2.536 1.944 2.153 1486TIP3 H150907 2.505 2.004 2.082 1486TIP3 H250908 2.555 1.865 2.100 1486TIP3 OH250909 1.623 1.959 2.694 1486TIP3 H150910 1.663 1.989 2.776 1486TIP3 H250911 1.595 1.869 2.715 1486TIP3 OH250912 1.970 1.721 1.352 1486TIP3 H150913 1.934 1.682 1.434 1486TIP3 H250914 1.891 1.728 1.297 1486TIP3 OH250915 1.315 1.711 2.057 1486TIP3 H150916 1.376 1.700 2.132 1486TIP3 H250917 1.360 1.667 1.983 1487TIP3 OH250918 1.477 1.749 1.629 1487TIP3 H150919 1.531 1.798 1.563 1487TIP3 H250920 1.407 1.813 1.649 1487TIP3 OH250921 2.456 2.120 2.615 1487TIP3 H150922 2.479 2.044 2.557 1487TIP3 H250923 2.380 2.086 2.666 1487TIP3 OH250924 2.166 1.704 2.099 1487TIP3 H150925 2.071 1.704 2.119 1487TIP3 H250926 2.204 1.695 2.188 1487TIP3 OH250927 1.624 1.833 1.967 1487TIP3 H150928 1.541 1.858 1.923 1487TIP3 H250929 1.650 1.751 1.919 1487TIP3 OH250930 1.987 1.864 1.735 1487TIP3 H150931 2.084 1.875 1.740 1487TIP3 H250932 1.960 1.924 1.664 1487TIP3 OH250933 2.607 1.618 2.401 1487TIP3 H150934 2.544 1.624 2.476 1487TIP3 H250935 2.544 1.590 2.331 1487TIP3 OH250936 1.831 1.989 1.513 1487TIP3 H150937 1.773 1.958 1.442 1487TIP3 H250938 1.913 2.009 1.463 1487TIP3 OH250939 1.696 2.464 3.010 1487TIP3 H150940 1.764 2.470 3.080 1487TIP3 H250941 1.616 2.461 3.066 1487TIP3 OH250942 2.266 1.962 2.280 1487TIP3 H150943 2.342 1.920 2.237 1487TIP3 H250944 2.251 1.903 2.357 1487TIP3 OH250945 1.794 1.600 1.904 1487TIP3 H150946 1.738 1.521 1.913 1487TIP3 H250947 1.872 1.564 1.860 1488TIP3 OH250948 2.164 1.809 2.506 1488TIP3 H150949 2.087 1.868 2.502 1488TIP3 H250950 2.211 1.840 2.586 1488TIP3 OH250951 2.179 2.448 1.696 1488TIP3 H150952 2.103 2.396 1.661 1488TIP3 H250953 2.158 2.453 1.792 1488TIP3 OH250954 2.903 2.363 2.570 1488TIP3 H150955 2.950 2.418 2.504 1488TIP3 H250956 2.816 2.351 2.528 1488TIP3 OH250957 2.594 1.730 1.475 1488TIP3 H150958 2.496 1.728 1.470 1488TIP3 H250959 2.612 1.804 1.536 1488TIP3 OH250960 2.382 2.472 2.860 1488TIP3 H150961 2.322 2.405 2.895 1488TIP3 H250962 2.319 2.534 2.821 1488TIP3 OH250963 2.663 1.914 1.680 1488TIP3 H150964 2.751 1.898 1.718 1488TIP3 H250965 2.672 2.001 1.638 1488TIP3 OH250966 1.687 2.387 2.276 1488TIP3 H150967 1.750 2.377 2.202 1488TIP3 H250968 1.705 2.306 2.328 1488TIP3 OH250969 2.418 2.584 1.586 1488TIP3 H150970 2.394 2.669 1.628 1488TIP3 H250971 2.344 2.527 1.616 1488TIP3 OH250972 1.413 2.217 2.809 1488TIP3 H150973 1.435 2.168 2.891 1488TIP3 H250974 1.360 2.152 2.759 1488TIP3 OH250975 2.114 2.157 3.007 1488TIP3 H150976 2.081 2.166 2.915 1488TIP3 H250977 2.208 2.137 2.988 1489TIP3 OH250978 2.575 2.730 2.773 1489TIP3 H150979 2.481 2.711 2.759 1489TIP3 H250980 2.581 2.725 2.869 1489TIP3 OH250981 3.122 1.911 1.653 1489TIP3 H150982 3.066 1.893 1.574 1489TIP3 H250983 3.134 2.007 1.640 1489TIP3 OH250984 3.169 2.519 2.934 1489TIP3 H150985 3.075 2.538 2.911 1489TIP3 H250986 3.205 2.499 2.846 1489TIP3 OH250987 2.943 2.774 1.663 1489TIP3 H150988 2.919 2.697 1.717 1489TIP3 H250989 2.996 2.735 1.592 1489TIP3 OH250990 2.667 2.308 2.399 1489TIP3 H150991 2.573 2.290 2.378 1489TIP3 H250992 2.710 2.234 2.352 1489TIP3 OH250993 1.930 2.713 1.996 1489TIP3 H150994 1.972 2.800 1.993 1489TIP3 H250995 1.837 2.734 1.981 1489TIP3 OH250996 1.530 2.195 1.466 1489TIP3 H150997 1.587 2.263 1.506 1489TIP3 H250998 1.442 2.222 1.499 1489TIP3 OH250999 2.114 2.484 1.963 1489TIP3 H151000 2.082 2.574 1.981 1489TIP3 H251001 2.047 2.431 2.009 1489TIP3 OH251002 2.128 2.912 2.603 1489TIP3 H151003 2.188 2.983 2.575 1489TIP3 H251004 2.188 2.856 2.655 1489TIP3 OH251005 1.975 3.006 1.925 1489TIP3 H151006 1.880 3.019 1.934 1489TIP3 H251007 2.009 3.094 1.949 1490TIP3 OH251008 2.481 2.491 2.566 1490TIP3 H151009 2.438 2.451 2.644 1490TIP3 H251010 2.544 2.422 2.541 1490TIP3 OH251011 2.688 2.617 1.452 1490TIP3 H151012 2.730 2.569 1.526 1490TIP3 H251013 2.595 2.602 1.475 1490TIP3 OH251014 2.770 2.944 2.802 1490TIP3 H151015 2.695 2.889 2.768 1490TIP3 H251016 2.771 3.018 2.737 1490TIP3 OH251017 3.163 3.041 1.504 1490TIP3 H151018 3.232 3.106 1.481 1490TIP3 H251019 3.085 3.101 1.505 1490TIP3 OH251020 1.550 1.679 2.768 1490TIP3 H151021 1.460 1.705 2.741 1490TIP3 H251022 1.535 1.591 2.807 1490TIP3 OH251023 2.785 2.477 1.688 1490TIP3 H151024 2.756 2.405 1.748 1490TIP3 H251025 2.882 2.474 1.699 1490TIP3 OH251026 1.525 2.855 2.607 1490TIP3 H151027 1.559 2.764 2.620 1490TIP3 H251028 1.550 2.893 2.692 1490TIP3 OH251029 2.112 2.720 1.308 1490TIP3 H151030 2.141 2.640 1.260 1490TIP3 H251031 2.069 2.681 1.386 1490TIP3 OH251032 1.997 2.673 1.578 1490TIP3 H151033 2.045 2.618 1.642 1490TIP3 H251034 2.011 2.763 1.613 1490TIP3 OH251035 1.680 2.416 1.617 1490TIP3 H151036 1.607 2.454 1.672 1490TIP3 H251037 1.728 2.497 1.592 1491TIP3 OH251038 2.451 1.663 2.620 1491TIP3 H151039 2.503 1.693 2.695 1491TIP3 H251040 2.394 1.594 2.660 1491TIP3 OH251041 2.513 1.605 1.748 1491TIP3 H151042 2.526 1.659 1.668 1491TIP3 H251043 2.554 1.660 1.816 1491TIP3 OH251044 2.293 2.837 1.643 1491TIP3 H151045 2.209 2.884 1.659 1491TIP3 H251046 2.326 2.881 1.564 1491TIP3 OH251047 2.255 1.803 1.843 1491TIP3 H151048 2.328 1.868 1.857 1491TIP3 H251049 2.222 1.791 1.933 1491TIP3 OH251050 2.284 1.910 2.755 1491TIP3 H151051 2.291 1.962 2.837 1491TIP3 H251052 2.335 1.832 2.778 1491TIP3 OH251053 2.315 1.508 1.942 1491TIP3 H151054 2.287 1.582 1.999 1491TIP3 H251055 2.382 1.550 1.886 1491TIP3 OH251056 2.012 2.942 1.642 1491TIP3 H151057 2.005 3.024 1.589 1491TIP3 H251058 1.998 2.976 1.733 1491TIP3 OH251059 1.884 1.608 1.589 1491TIP3 H151060 1.884 1.684 1.650 1491TIP3 H251061 1.965 1.561 1.617 1491TIP3 OH251062 2.917 1.696 2.846 1491TIP3 H151063 2.822 1.714 2.834 1491TIP3 H251064 2.940 1.679 2.753 1491TIP3 OH251065 2.770 2.081 2.246 1491TIP3 H151066 2.684 2.041 2.223 1491TIP3 H251067 2.814 2.009 2.295 1492TIP3 OH251068 1.724 2.698 1.495 1492TIP3 H151069 1.799 2.745 1.535 1492TIP3 H251070 1.773 2.646 1.429 1492TIP3 OH251071 1.536 1.918 1.397 1492TIP3 H151072 1.550 2.010 1.425 1492TIP3 H251073 1.442 1.917 1.376 1492TIP3 OH251074 2.870 2.970 2.388 1492TIP3 H151075 2.851 3.049 2.336 1492TIP3 H251076 2.963 2.984 2.410 1492TIP3 OH251077 1.632 1.418 2.283 1492TIP3 H151078 1.613 1.413 2.187 1492TIP3 H251079 1.597 1.333 2.315 1492TIP3 OH251080 1.520 2.769 1.915 1492TIP3 H151081 1.441 2.820 1.937 1492TIP3 H251082 1.557 2.820 1.842 1492TIP3 OH251083 1.459 3.059 3.028 1492TIP3 H151084 1.518 3.030 3.101 1492TIP3 H251085 1.422 2.973 3.000 1492TIP3 OH251086 1.931 2.965 3.207 1492TIP3 H151087 1.998 2.897 3.226 1492TIP3 H251088 1.906 2.940 3.116 1492TIP3 OH251089 2.334 2.890 1.358 1492TIP3 H151090 2.258 2.829 1.349 1492TIP3 H251091 2.405 2.835 1.322 1492TIP3 OH251092 2.571 2.796 3.069 1492TIP3 H151093 2.527 2.712 3.094 1492TIP3 H251094 2.644 2.800 3.133 1492TIP3 OH251095 2.797 2.882 1.369 1492TIP3 H151096 2.810 2.800 1.420 1492TIP3 H251097 2.877 2.884 1.313 1493TIP3 OH251098 1.454 2.421 3.142 1493TIP3 H151099 1.466 2.331 3.107 1493TIP3 H251100 1.379 2.452 3.087 1493TIP3 OH251101 1.877 2.465 1.342 1493TIP3 H151102 1.891 2.405 1.417 1493TIP3 H251103 1.963 2.458 1.297 1493TIP3 OH251104 2.111 2.438 3.076 1493TIP3 H151105 2.092 2.471 2.987 1493TIP3 H251106 2.124 2.343 3.060 1493TIP3 OH251107 2.401 2.597 1.303 1493TIP3 H151108 2.396 2.592 1.400 1493TIP3 H251109 2.396 2.501 1.281 1493TIP3 OH251110 2.661 2.398 2.815 1493TIP3 H151111 2.726 2.464 2.791 1493TIP3 H251112 2.578 2.450 2.817 1493TIP3 OH251113 1.541 2.135 3.057 1493TIP3 H151114 1.615 2.072 3.056 1493TIP3 H251115 1.536 2.155 3.152 1493TIP3 OH251116 1.985 2.273 1.576 1493TIP3 H151117 1.924 2.222 1.631 1493TIP3 H251118 2.015 2.204 1.512 1493TIP3 OH251119 1.906 2.042 2.791 1493TIP3 H151120 1.857 2.118 2.826 1493TIP3 H251121 1.972 2.092 2.738 1493TIP3 OH251122 2.081 2.075 1.402 1493TIP3 H151123 2.075 2.078 1.305 1493TIP3 H251124 2.177 2.069 1.416 1493TIP3 OH251125 2.441 2.319 3.169 1493TIP3 H151126 2.524 2.297 3.124 1493TIP3 H251127 2.411 2.231 3.198 1494TIP3 OH251128 3.033 2.326 1.334 1494TIP3 H151129 3.021 2.283 1.248 1494TIP3 H251130 3.021 2.420 1.309 1494TIP3 OH251131 1.967 1.777 2.915 1494TIP3 H151132 1.972 1.710 2.844 1494TIP3 H251133 1.947 1.858 2.865 1494TIP3 OH251134 2.001 1.620 2.658 1494TIP3 H151135 2.051 1.678 2.597 1494TIP3 H251136 1.909 1.626 2.625 1494TIP3 OH251137 2.614 1.961 3.178 1494TIP3 H151138 2.632 1.868 3.198 1494TIP3 H251139 2.703 1.998 3.174 1494TIP3 OH251140 2.712 2.241 3.030 1494TIP3 H151141 2.674 2.299 2.960 1494TIP3 H251142 2.799 2.224 2.989 1494TIP3 OH251143 1.786 1.963 3.094 1494TIP3 H151144 1.735 1.880 3.093 1494TIP3 H251145 1.869 1.936 3.051 1494TIP3 OH251146 2.079 1.353 2.686 1494TIP3 H151147 2.059 1.448 2.673 1494TIP3 H251148 2.003 1.313 2.638 1494TIP3 OH251149 2.200 1.813 3.073 1494TIP3 H151150 2.165 1.792 3.161 1494TIP3 H251151 2.120 1.796 3.020 1494TIP3 OH251152 2.451 1.716 2.958 1494TIP3 H151153 2.364 1.727 2.999 1494TIP3 H251154 2.496 1.658 3.022 1494TIP3 OH251155 2.640 1.566 3.137 1494TIP3 H151156 2.618 1.472 3.154 1494TIP3 H251157 2.618 1.610 3.221 1495TIP3 OH251158 1.655 1.708 3.078 1495TIP3 H151159 1.645 1.638 3.012 1495TIP3 H251160 1.632 1.661 3.161 1495TIP3 OH251161 2.055 1.308 2.976 1495TIP3 H151162 2.112 1.229 2.984 1495TIP3 H251163 2.053 1.322 2.880 1495TIP3 OH251164 2.152 1.494 3.158 1495TIP3 H151165 2.116 1.434 3.090 1495TIP3 H251166 2.082 1.561 3.165 1495TIP3 OH251167 2.057 3.197 1.512 1495TIP3 H151168 2.153 3.208 1.522 1495TIP3 H251169 2.043 3.242 1.427 1495TIP3 OH251170 1.448 2.638 1.463 1495TIP3 H151171 1.544 2.655 1.478 1495TIP3 H251172 1.450 2.558 1.407 1495TIP3 OH251173 1.346 3.157 1.939 1495TIP3 H151174 1.276 3.118 1.884 1495TIP3 H251175 1.358 3.087 2.007 1495TIP3 OH251176 1.385 2.959 2.137 1495TIP3 H151177 1.358 2.871 2.168 1495TIP3 H251178 1.423 2.992 2.220 1495TIP3 OH251179 3.144 3.082 2.436 1495TIP3 H151180 3.159 3.084 2.531 1495TIP3 H251181 3.227 3.118 2.402 1495TIP3 OH251182 3.130 3.029 2.731 1495TIP3 H151183 3.080 2.958 2.686 1495TIP3 H251184 3.188 2.975 2.787 1495TIP3 OH251185 2.932 2.582 3.150 1495TIP3 H151186 2.847 2.576 3.196 1495TIP3 H251187 2.980 2.652 3.198 1496TIP3 OH251188 3.071 2.463 1.727 1496TIP3 H151189 3.162 2.494 1.745 1496TIP3 H251190 3.061 2.398 1.800 1496TIP3 OH251191 3.117 2.258 1.924 1496TIP3 H151192 3.049 2.202 1.967 1496TIP3 H251193 3.184 2.270 1.994 1496TIP3 OH251194 3.092 2.509 2.425 1496TIP3 H151195 3.151 2.459 2.366 1496TIP3 H251196 3.099 2.599 2.389 1496TIP3 OH251197 2.961 2.801 2.646 1496TIP3 H151198 2.885 2.839 2.694 1496TIP3 H251199 2.917 2.764 2.567 1496TIP3 OH251200 3.144 2.203 1.583 1496TIP3 H151201 3.091 2.230 1.505 1496TIP3 H251202 3.129 2.278 1.643 1496TIP3 OH251203 2.973 1.958 1.410 1496TIP3 H151204 2.995 2.018 1.337 1496TIP3 H251205 2.945 1.877 1.362 1496TIP3 OH251206 2.912 2.071 2.007 1496TIP3 H151207 2.902 1.976 1.990 1496TIP3 H251208 2.872 2.081 2.096 1496TIP3 OH251209 1.395 2.294 2.378 1496TIP3 H151210 1.421 2.299 2.285 1496TIP3 H251211 1.482 2.272 2.419 1496TIP3 OH251212 2.972 2.265 2.922 1496TIP3 H151213 3.045 2.202 2.938 1496TIP3 H251214 3.019 2.347 2.901 1496TIP3 OH251215 3.127 2.075 3.044 1496TIP3 H151216 3.047 2.022 3.020 1496TIP3 H251217 3.197 2.007 3.039 1497TIP3 OH251218 2.917 1.693 1.329 1497TIP3 H151219 2.971 1.641 1.391 1497TIP3 H251220 2.835 1.642 1.320 1497TIP3 OH251221 2.898 1.821 1.826 1497TIP3 H151222 2.922 1.725 1.829 1497TIP3 H251223 2.977 1.858 1.784 1497TIP3 OH251224 2.920 1.878 2.368 1497TIP3 H151225 3.017 1.893 2.366 1497TIP3 H251226 2.903 1.887 2.463 1497TIP3 OH251227 2.935 1.952 2.649 1497TIP3 H151228 2.849 1.989 2.676 1497TIP3 H251229 2.986 2.032 2.630 1497TIP3 OH251230 1.387 1.828 3.019 1497TIP3 H151231 1.480 1.802 3.020 1497TIP3 H251232 1.342 1.742 3.023 1497TIP3 OH251233 3.198 1.369 3.181 1497TIP3 H151234 3.233 1.298 3.123 1497TIP3 H251235 3.195 1.445 3.120 1497TIP3 OH251236 2.946 1.541 1.822 1497TIP3 H151237 2.951 1.511 1.914 1497TIP3 H251238 2.865 1.493 1.791 1497TIP3 OH251239 1.463 1.661 2.298 1497TIP3 H151240 1.509 1.576 2.304 1497TIP3 H251241 1.532 1.721 2.333 1497TIP3 OH251242 1.317 1.929 2.402 1497TIP3 H151243 1.375 1.923 2.324 1497TIP3 H251244 1.356 2.005 2.447 1497TIP3 OH251245 3.130 1.569 3.002 1497TIP3 H151246 3.043 1.613 3.011 1497TIP3 H251247 3.115 1.518 2.921 1498TIP3 OH251248 3.141 1.587 1.492 1498TIP3 H151249 3.172 1.510 1.441 1498TIP3 H251250 3.221 1.643 1.495 1498TIP3 OH251251 1.367 1.569 1.816 1498TIP3 H151252 1.273 1.565 1.790 1498TIP3 H251253 1.409 1.619 1.744 1498TIP3 OH251254 2.830 3.093 2.017 1498TIP3 H151255 2.876 3.065 1.936 1498TIP3 H251256 2.903 3.124 2.072 1498TIP3 OH251257 1.372 1.452 2.623 1498TIP3 H151258 1.300 1.424 2.682 1498TIP3 H251259 1.321 1.503 2.556 1498TIP3 OH251260 1.571 2.760 3.087 1498TIP3 H151261 1.498 2.756 3.023 1498TIP3 H251262 1.524 2.754 3.171 1498TIP3 OH251263 1.853 2.848 2.658 1498TIP3 H151264 1.821 2.932 2.622 1498TIP3 H251265 1.948 2.856 2.637 1498TIP3 OH251266 2.299 2.999 2.964 1498TIP3 H151267 2.318 2.968 3.053 1498TIP3 H251268 2.387 3.028 2.932 1498TIP3 OH251269 2.536 3.136 2.881 1498TIP3 H151270 2.596 3.069 2.845 1498TIP3 H251271 2.575 3.152 2.967 1498TIP3 OH251272 3.009 1.393 2.796 1498TIP3 H151273 2.934 1.423 2.742 1498TIP3 H251274 3.029 1.304 2.760 1498TIP3 OH251275 1.592 3.156 2.691 1498TIP3 H151276 1.532 3.218 2.646 1498TIP3 H251277 1.556 3.157 2.780 1499TIP3 OH251278 1.843 3.129 2.548 1499TIP3 H151279 1.757 3.145 2.591 1499TIP3 H251280 1.844 3.198 2.478 1499TIP3 OH251281 2.317 3.132 2.501 1499TIP3 H151282 2.277 3.174 2.423 1499TIP3 H251283 2.322 3.207 2.563 1499TIP3 OH251284 2.550 3.008 2.599 1499TIP3 H151285 2.465 3.036 2.560 1499TIP3 H251286 2.604 3.087 2.586 1499TIP3 OH251287 2.807 3.176 2.614 1499TIP3 H151288 2.802 3.271 2.590 1499TIP3 H251289 2.830 3.138 2.527 1499TIP3 OH251290 1.550 3.034 2.385 1499TIP3 H151291 1.547 2.984 2.470 1499TIP3 H251292 1.625 2.989 2.341 1499TIP3 OH251293 1.751 2.907 2.231 1499TIP3 H151294 1.736 2.814 2.257 1499TIP3 H251295 1.843 2.921 2.261 1499TIP3 OH251296 2.030 2.956 2.317 1499TIP3 H151297 2.045 2.861 2.296 1499TIP3 H251298 2.034 2.951 2.414 1499TIP3 OH251299 2.366 1.544 2.254 1499TIP3 H151300 2.295 1.480 2.271 1499TIP3 H251301 2.413 1.503 2.181 1499TIP3 OH251302 2.856 1.341 2.292 1499TIP3 H151303 2.931 1.391 2.254 1499TIP3 H251304 2.781 1.376 2.240 1499TIP3 OH251305 3.065 1.454 2.083 1499TIP3 H151306 3.135 1.417 2.027 1499TIP3 H251307 3.093 1.547 2.092 1500TIP3 OH251308 1.594 1.396 2.001 1500TIP3 H151309 1.508 1.391 1.954 1500TIP3 H251310 1.630 1.307 1.982 1500TIP3 OH251311 1.480 1.350 1.598 1500TIP3 H151312 1.513 1.417 1.538 1500TIP3 H251313 1.427 1.400 1.661 1500TIP3 OH251314 2.045 1.395 1.993 1500TIP3 H151315 2.137 1.426 1.985 1500TIP3 H251316 2.036 1.384 2.089 1500TIP3 OH251317 2.611 1.399 2.134 1500TIP3 H151318 2.624 1.395 2.038 1500TIP3 H251319 2.559 1.318 2.150 1500TIP3 OH251320 2.713 1.402 1.733 1500TIP3 H151321 2.632 1.455 1.719 1500TIP3 H251322 2.676 1.313 1.742 1500TIP3 OH251323 1.494 2.961 1.708 1500TIP3 H151324 1.431 2.948 1.636 1500TIP3 H251325 1.493 3.057 1.715 1500TIP3 OH251326 1.650 1.561 1.426 1500TIP3 H151327 1.696 1.484 1.391 1500TIP3 H251328 1.705 1.582 1.503 1500TIP3 OH251329 2.159 1.563 1.695 1500TIP3 H151330 2.188 1.506 1.768 1500TIP3 H251331 2.175 1.650 1.732 1500TIP3 OH251332 2.362 3.144 1.519 1500TIP3 H151333 2.459 3.144 1.515 1500TIP3 H251334 2.342 3.078 1.452 1500TIP3 OH251335 3.013 3.046 1.778 1500TIP3 H151336 2.989 2.961 1.735 1500TIP3 H251337 3.007 3.107 1.703 1501TIP3 OH251338 1.575 1.440 2.958 1501TIP3 H151339 1.535 1.358 2.992 1501TIP3 H251340 1.667 1.426 2.984 1501TIP3 OH251341 1.813 1.378 3.129 1501TIP3 H151342 1.895 1.341 3.090 1501TIP3 H251343 1.778 1.299 3.175 1501TIP3 OH251344 1.639 3.057 1.387 1501TIP3 H151345 1.615 3.082 1.477 1501TIP3 H251346 1.714 2.998 1.402 1501TIP3 OH251347 2.624 1.283 3.137 1501TIP3 H151348 2.621 1.246 3.228 1501TIP3 H251349 2.720 1.288 3.122 1501TIP3 OH251350 2.948 2.967 3.032 1501TIP3 H151351 2.893 2.917 2.969 1501TIP3 H251352 2.953 3.051 2.985 1501TIP3 OH251353 4.214 2.194 2.340 1501TIP3 H151354 4.291 2.224 2.392 1501TIP3 H251355 4.248 2.200 2.250 1501TIP3 OH251356 3.515 2.193 2.503 1501TIP3 H151357 3.513 2.119 2.567 1501TIP3 H251358 3.586 2.247 2.540 1501TIP3 OH251359 3.588 2.655 2.369 1501TIP3 H151360 3.566 2.563 2.344 1501TIP3 H251361 3.681 2.644 2.391 1501TIP3 OH251362 3.280 1.997 1.892 1501TIP3 H151363 3.240 2.085 1.901 1501TIP3 H251364 3.208 1.947 1.851 1501TIP3 OH251365 3.361 2.243 2.079 1501TIP3 H151366 3.375 2.159 2.127 1501TIP3 H251367 3.445 2.253 2.031 1502TIP3 OH251368 4.121 2.489 2.395 1502TIP3 H151369 4.155 2.413 2.346 1502TIP3 H251370 4.195 2.511 2.453 1502TIP3 OH251371 3.747 1.719 2.154 1502TIP3 H151372 3.757 1.806 2.111 1502TIP3 H251373 3.708 1.668 2.079 1502TIP3 OH251374 3.411 1.993 2.203 1502TIP3 H151375 3.474 1.946 2.260 1502TIP3 H251376 3.420 1.944 2.119 1502TIP3 OH251377 3.950 2.129 2.149 1502TIP3 H151378 4.028 2.081 2.182 1502TIP3 H251379 3.902 2.059 2.102 1502TIP3 OH251380 3.627 1.591 2.566 1502TIP3 H151381 3.591 1.642 2.491 1502TIP3 H251382 3.559 1.608 2.635 1502TIP3 OH251383 3.913 2.379 2.577 1502TIP3 H151384 3.845 2.439 2.615 1502TIP3 H251385 3.982 2.443 2.553 1502TIP3 OH251386 3.583 1.803 2.362 1502TIP3 H151387 3.647 1.862 2.409 1502TIP3 H251388 3.641 1.767 2.292 1502TIP3 OH251389 3.717 2.574 2.659 1502TIP3 H151390 3.734 2.668 2.644 1502TIP3 H251391 3.635 2.578 2.711 1502TIP3 OH251392 3.348 2.545 1.741 1502TIP3 H151393 3.327 2.594 1.660 1502TIP3 H251394 3.363 2.616 1.808 1502TIP3 OH251395 4.268 2.240 1.738 1502TIP3 H151396 4.200 2.308 1.724 1502TIP3 H251397 4.329 2.258 1.667 1503TIP3 OH251398 4.289 2.078 1.461 1503TIP3 H151399 4.361 2.069 1.526 1503TIP3 H251400 4.294 1.995 1.412 1503TIP3 OH251401 3.757 2.317 2.042 1503TIP3 H151402 3.728 2.274 1.960 1503TIP3 H251403 3.824 2.254 2.075 1503TIP3 OH251404 3.898 2.660 2.314 1503TIP3 H151405 3.891 2.614 2.230 1503TIP3 H251406 3.973 2.614 2.355 1503TIP3 OH251407 3.814 2.195 2.387 1503TIP3 H151408 3.874 2.197 2.309 1503TIP3 H251409 3.851 2.266 2.443 1503TIP3 OH251410 3.593 2.267 2.786 1503TIP3 H151411 3.603 2.331 2.859 1503TIP3 H251412 3.497 2.259 2.779 1503TIP3 OH251413 4.253 2.842 1.959 1503TIP3 H151414 4.299 2.891 2.029 1503TIP3 H251415 4.200 2.912 1.917 1503TIP3 OH251416 3.711 2.860 2.960 1503TIP3 H151417 3.734 2.825 2.872 1503TIP3 H251418 3.635 2.806 2.985 1503TIP3 OH251419 3.650 2.192 1.794 1503TIP3 H151420 3.631 2.269 1.739 1503TIP3 H251421 3.582 2.129 1.766 1503TIP3 OH251422 3.256 2.460 2.666 1503TIP3 H151423 3.209 2.460 2.580 1503TIP3 H251424 3.268 2.365 2.683 1503TIP3 OH251425 3.265 2.760 2.358 1503TIP3 H151426 3.354 2.723 2.368 1503TIP3 H251427 3.255 2.812 2.439 1504TIP3 OH251428 4.181 3.121 1.813 1504TIP3 H151429 4.204 3.120 1.719 1504TIP3 H251430 4.210 3.208 1.843 1504TIP3 OH251431 3.573 3.035 1.979 1504TIP3 H151432 3.587 2.986 2.062 1504TIP3 H251433 3.492 2.994 1.945 1504TIP3 OH251434 3.466 2.622 2.799 1504TIP3 H151435 3.503 2.567 2.871 1504TIP3 H251436 3.403 2.561 2.755 1504TIP3 OH251437 3.825 1.452 2.350 1504TIP3 H151438 3.739 1.444 2.307 1504TIP3 H251439 3.812 1.532 2.403 1504TIP3 OH251440 4.234 1.393 2.792 1504TIP3 H151441 4.243 1.324 2.859 1504TIP3 H251442 4.142 1.379 2.763 1504TIP3 OH251443 4.227 1.679 1.459 1504TIP3 H151444 4.171 1.663 1.535 1504TIP3 H251445 4.197 1.609 1.399 1504TIP3 OH251446 3.780 1.941 2.509 1504TIP3 H151447 3.720 1.954 2.584 1504TIP3 H251448 3.788 2.032 2.472 1504TIP3 OH251449 3.774 1.946 1.998 1504TIP3 H151450 3.678 1.940 1.982 1504TIP3 H251451 3.808 1.933 1.908 1504TIP3 OH251452 4.248 2.033 1.911 1504TIP3 H151453 4.239 2.121 1.868 1504TIP3 H251454 4.343 2.020 1.891 1504TIP3 OH251455 4.258 2.029 3.030 1504TIP3 H151456 4.197 1.953 3.042 1504TIP3 H251457 4.343 1.983 3.027 1505TIP3 OH251458 3.516 1.958 2.693 1505TIP3 H151459 3.542 1.990 2.780 1505TIP3 H251460 3.482 1.869 2.713 1505TIP3 OH251461 3.863 1.719 1.351 1505TIP3 H151462 3.820 1.682 1.430 1505TIP3 H251463 3.788 1.737 1.293 1505TIP3 OH251464 3.200 1.705 2.057 1505TIP3 H151465 3.261 1.701 2.133 1505TIP3 H251466 3.250 1.667 1.984 1505TIP3 OH251467 3.361 1.749 1.629 1505TIP3 H151468 3.413 1.798 1.562 1505TIP3 H251469 3.289 1.813 1.646 1505TIP3 OH251470 4.353 2.069 2.629 1505TIP3 H151471 4.370 2.013 2.551 1505TIP3 H251472 4.271 2.030 2.663 1505TIP3 OH251473 4.045 1.673 2.120 1505TIP3 H151474 3.952 1.698 2.128 1505TIP3 H251475 4.086 1.737 2.182 1505TIP3 OH251476 3.507 1.831 1.968 1505TIP3 H151477 3.426 1.860 1.922 1505TIP3 H251478 3.534 1.752 1.918 1505TIP3 OH251479 3.875 1.860 1.731 1505TIP3 H151480 3.969 1.883 1.738 1505TIP3 H251481 3.841 1.921 1.663 1505TIP3 OH251482 3.724 1.985 1.513 1505TIP3 H151483 3.661 1.963 1.443 1505TIP3 H251484 3.803 2.004 1.462 1505TIP3 OH251485 3.579 2.465 3.009 1505TIP3 H151486 3.650 2.471 3.076 1505TIP3 H251487 3.501 2.458 3.068 1506TIP3 OH251488 4.142 1.898 2.244 1506TIP3 H151489 4.232 1.901 2.209 1506TIP3 H251490 4.160 1.917 2.338 1506TIP3 OH251491 3.687 1.602 1.905 1506TIP3 H151492 3.625 1.527 1.913 1506TIP3 H251493 3.756 1.567 1.847 1506TIP3 OH251494 4.049 1.795 2.515 1506TIP3 H151495 3.981 1.862 2.496 1506TIP3 H251496 4.099 1.837 2.588 1506TIP3 OH251497 4.072 2.433 1.700 1506TIP3 H151498 3.994 2.387 1.664 1506TIP3 H251499 4.049 2.443 1.795 1506TIP3 OH251500 3.579 2.388 2.280 1506TIP3 H151501 3.635 2.378 2.200 1506TIP3 H251502 3.589 2.301 2.322 1506TIP3 OH251503 4.287 2.575 1.597 1506TIP3 H151504 4.260 2.664 1.627 1506TIP3 H251505 4.211 2.522 1.629 1506TIP3 OH251506 3.303 2.215 2.806 1506TIP3 H151507 3.320 2.169 2.891 1506TIP3 H251508 3.243 2.154 2.760 1506TIP3 OH251509 4.001 2.152 3.011 1506TIP3 H151510 3.968 2.135 2.921 1506TIP3 H251511 4.097 2.145 2.997 1506TIP3 OH251512 3.814 2.714 2.003 1506TIP3 H151513 3.858 2.800 1.992 1506TIP3 H251514 3.723 2.735 1.979 1506TIP3 OH251515 3.416 2.194 1.466 1506TIP3 H151516 3.473 2.263 1.505 1506TIP3 H251517 3.328 2.221 1.498 1507TIP3 OH251518 3.994 2.483 1.962 1507TIP3 H151519 3.969 2.575 1.981 1507TIP3 H251520 3.925 2.434 2.009 1507TIP3 OH251521 4.016 2.916 2.608 1507TIP3 H151522 4.090 2.974 2.582 1507TIP3 H251523 4.061 2.849 2.664 1507TIP3 OH251524 3.859 3.005 1.928 1507TIP3 H151525 3.764 3.021 1.934 1507TIP3 H251526 3.896 3.093 1.948 1507TIP3 OH251527 3.438 1.677 2.764 1507TIP3 H151528 3.347 1.704 2.740 1507TIP3 H251529 3.422 1.591 2.807 1507TIP3 OH251530 3.410 2.859 2.606 1507TIP3 H151531 3.442 2.768 2.608 1507TIP3 H251532 3.443 2.889 2.691 1507TIP3 OH251533 3.994 2.724 1.309 1507TIP3 H151534 4.028 2.648 1.258 1507TIP3 H251535 3.957 2.679 1.387 1507TIP3 OH251536 3.886 2.667 1.584 1507TIP3 H151537 3.934 2.616 1.651 1507TIP3 H251538 3.899 2.759 1.614 1507TIP3 OH251539 3.566 2.415 1.620 1507TIP3 H151540 3.493 2.454 1.672 1507TIP3 H251541 3.613 2.496 1.591 1507TIP3 OH251542 4.334 1.707 2.671 1507TIP3 H151543 4.404 1.642 2.679 1507TIP3 H251544 4.267 1.659 2.621 1507TIP3 OH251545 4.169 2.834 1.636 1507TIP3 H151546 4.089 2.884 1.657 1507TIP3 H251547 4.209 2.889 1.567 1508TIP3 OH251548 4.147 1.793 1.842 1508TIP3 H151549 4.194 1.878 1.856 1508TIP3 H251550 4.112 1.782 1.932 1508TIP3 OH251551 4.163 1.895 2.760 1508TIP3 H151552 4.180 1.947 2.839 1508TIP3 H251553 4.234 1.828 2.762 1508TIP3 OH251554 4.189 1.500 1.960 1508TIP3 H151555 4.169 1.582 2.011 1508TIP3 H251556 4.273 1.526 1.917 1508TIP3 OH251557 3.894 2.940 1.641 1508TIP3 H151558 3.890 3.021 1.587 1508TIP3 H251559 3.882 2.975 1.732 1508TIP3 OH251560 3.768 1.607 1.590 1508TIP3 H151561 3.772 1.688 1.645 1508TIP3 H251562 3.853 1.565 1.611 1508TIP3 OH251563 3.611 2.696 1.497 1508TIP3 H151564 3.684 2.746 1.536 1508TIP3 H251565 3.660 2.646 1.429 1508TIP3 OH251566 3.424 1.915 1.410 1508TIP3 H151567 3.434 2.010 1.431 1508TIP3 H251568 3.339 1.914 1.364 1508TIP3 OH251569 3.531 1.416 2.286 1508TIP3 H151570 3.506 1.419 2.191 1508TIP3 H251571 3.487 1.335 2.317 1508TIP3 OH251572 3.407 2.769 1.915 1508TIP3 H151573 3.327 2.819 1.938 1508TIP3 H251574 3.442 2.821 1.841 1508TIP3 OH251575 3.343 3.060 3.031 1508TIP3 H151576 3.407 3.027 3.097 1508TIP3 H251577 3.308 2.975 2.996 1509TIP3 OH251578 3.833 2.982 3.198 1509TIP3 H151579 3.884 2.904 3.227 1509TIP3 H251580 3.798 2.946 3.114 1509TIP3 OH251581 4.230 2.888 1.341 1509TIP3 H151582 4.147 2.837 1.341 1509TIP3 H251583 4.293 2.815 1.326 1509TIP3 OH251584 3.339 2.424 3.142 1509TIP3 H151585 3.351 2.332 3.110 1509TIP3 H251586 3.264 2.452 3.086 1509TIP3 OH251587 3.763 2.465 1.342 1509TIP3 H151588 3.779 2.405 1.417 1509TIP3 H251589 3.848 2.461 1.295 1509TIP3 OH251590 3.981 2.444 3.071 1509TIP3 H151591 4.008 2.485 2.987 1509TIP3 H251592 4.012 2.352 3.059 1509TIP3 OH251593 4.262 2.596 1.298 1509TIP3 H151594 4.276 2.606 1.393 1509TIP3 H251595 4.243 2.501 1.291 1509TIP3 OH251596 3.427 2.136 3.058 1509TIP3 H151597 3.500 2.072 3.058 1509TIP3 H251598 3.422 2.156 3.153 1509TIP3 OH251599 3.871 2.270 1.574 1509TIP3 H151600 3.808 2.220 1.628 1509TIP3 H251601 3.902 2.201 1.512 1509TIP3 OH251602 3.795 2.051 2.802 1509TIP3 H151603 3.739 2.128 2.822 1509TIP3 H251604 3.850 2.086 2.731 1509TIP3 OH251605 3.979 2.071 1.404 1509TIP3 H151606 3.969 2.078 1.307 1509TIP3 H251607 4.075 2.085 1.414 1510TIP3 OH251608 4.275 2.298 3.176 1510TIP3 H151609 4.350 2.279 3.119 1510TIP3 H251610 4.268 2.215 3.226 1510TIP3 OH251611 3.858 1.780 2.917 1510TIP3 H151612 3.862 1.714 2.845 1510TIP3 H251613 3.838 1.862 2.868 1510TIP3 OH251614 3.887 1.621 2.657 1510TIP3 H151615 3.936 1.683 2.599 1510TIP3 H251616 3.795 1.625 2.622 1510TIP3 OH251617 4.073 2.171 2.694 1510TIP3 H151618 4.134 2.167 2.619 1510TIP3 H251619 4.025 2.253 2.675 1510TIP3 OH251620 3.674 1.961 3.097 1510TIP3 H151621 3.620 1.880 3.094 1510TIP3 H251622 3.754 1.933 3.049 1510TIP3 OH251623 3.973 1.361 2.693 1510TIP3 H151624 3.948 1.455 2.678 1510TIP3 H251625 3.904 1.316 2.641 1510TIP3 OH251626 4.106 1.805 3.071 1510TIP3 H151627 4.064 1.783 3.156 1510TIP3 H251628 4.032 1.786 3.010 1510TIP3 OH251629 3.539 1.708 3.076 1510TIP3 H151630 3.530 1.637 3.011 1510TIP3 H251631 3.518 1.661 3.160 1510TIP3 OH251632 3.944 1.308 2.979 1510TIP3 H151633 4.004 1.232 2.983 1510TIP3 H251634 3.941 1.324 2.883 1510TIP3 OH251635 4.036 1.488 3.172 1510TIP3 H151636 4.005 1.433 3.097 1510TIP3 H251637 3.973 1.562 3.170 1511TIP3 OH251638 3.956 3.194 1.513 1511TIP3 H151639 4.052 3.202 1.520 1511TIP3 H251640 3.940 3.243 1.431 1511TIP3 OH251641 3.334 2.637 1.465 1511TIP3 H151642 3.430 2.655 1.478 1511TIP3 H251643 3.336 2.558 1.407 1511TIP3 OH251644 3.233 3.157 1.938 1511TIP3 H151645 3.162 3.119 1.882 1511TIP3 H251646 3.244 3.088 2.006 1511TIP3 OH251647 3.272 2.959 2.135 1511TIP3 H151648 3.244 2.871 2.167 1511TIP3 H251649 3.302 2.997 2.219 1511TIP3 OH251650 3.280 2.292 2.376 1511TIP3 H151651 3.306 2.298 2.283 1511TIP3 H251652 3.367 2.271 2.417 1511TIP3 OH251653 3.273 1.828 3.014 1511TIP3 H151654 3.366 1.801 3.022 1511TIP3 H251655 3.227 1.742 3.024 1511TIP3 OH251656 3.351 1.658 2.296 1511TIP3 H151657 3.399 1.575 2.307 1511TIP3 H251658 3.415 1.722 2.332 1511TIP3 OH251659 3.205 1.927 2.403 1511TIP3 H151660 3.260 1.928 2.323 1511TIP3 H251661 3.238 2.005 2.449 1511TIP3 OH251662 3.252 1.563 1.808 1511TIP3 H151663 3.157 1.567 1.788 1511TIP3 H251664 3.292 1.623 1.742 1511TIP3 OH251665 3.255 1.448 2.621 1511TIP3 H151666 3.185 1.425 2.683 1511TIP3 H251667 3.207 1.505 2.559 1512TIP3 OH251668 3.452 2.777 3.093 1512TIP3 H151669 3.391 2.754 3.022 1512TIP3 H251670 3.406 2.745 3.172 1512TIP3 OH251671 3.736 2.870 2.648 1512TIP3 H151672 3.716 2.960 2.623 1512TIP3 H251673 3.834 2.870 2.641 1512TIP3 OH251674 4.195 3.034 2.949 1512TIP3 H151675 4.173 2.947 2.984 1512TIP3 H251676 4.288 3.021 2.927 1512TIP3 OH251677 3.486 3.170 2.688 1512TIP3 H151678 3.413 3.217 2.644 1512TIP3 H251679 3.445 3.150 2.773 1512TIP3 OH251680 3.737 3.200 2.530 1512TIP3 H151681 3.661 3.164 2.580 1512TIP3 H251682 3.697 3.212 2.443 1512TIP3 OH251683 4.189 3.122 2.502 1512TIP3 H151684 4.180 3.171 2.419 1512TIP3 H251685 4.266 3.164 2.542 1512TIP3 OH251686 3.448 3.046 2.390 1512TIP3 H151687 3.436 2.989 2.469 1512TIP3 H251688 3.510 2.992 2.338 1512TIP3 OH251689 3.635 2.906 2.237 1512TIP3 H151690 3.622 2.812 2.261 1512TIP3 H251691 3.728 2.918 2.263 1512TIP3 OH251692 3.910 2.959 2.325 1512TIP3 H151693 3.934 2.870 2.293 1512TIP3 H251694 3.932 2.949 2.419 1512TIP3 OH251695 4.250 1.463 2.264 1512TIP3 H151696 4.165 1.507 2.258 1512TIP3 H251697 4.297 1.504 2.190 1513TIP3 OH251698 3.481 1.416 2.005 1513TIP3 H151699 3.395 1.405 1.960 1513TIP3 H251700 3.521 1.328 1.990 1513TIP3 OH251701 3.367 1.363 1.595 1513TIP3 H151702 3.413 1.430 1.540 1513TIP3 H251703 3.319 1.418 1.658 1513TIP3 OH251704 3.942 1.381 2.012 1513TIP3 H151705 4.019 1.439 1.997 1513TIP3 H251706 3.910 1.411 2.098 1513TIP3 OH251707 3.381 2.961 1.709 1513TIP3 H151708 3.317 2.947 1.637 1513TIP3 H251709 3.378 3.057 1.716 1513TIP3 OH251710 3.532 1.545 1.435 1513TIP3 H151711 3.593 1.492 1.382 1513TIP3 H251712 3.592 1.580 1.504 1513TIP3 OH251713 4.061 1.565 1.694 1513TIP3 H151714 4.069 1.510 1.773 1513TIP3 H251715 4.060 1.654 1.733 1513TIP3 OH251716 4.265 3.123 1.518 1513TIP3 H151717 4.351 3.162 1.498 1513TIP3 H251718 4.248 3.066 1.441 1513TIP3 OH251719 3.461 1.439 2.955 1513TIP3 H151720 3.420 1.359 2.992 1513TIP3 H251721 3.553 1.427 2.984 1513TIP3 OH251722 3.699 1.377 3.130 1513TIP3 H151723 3.781 1.341 3.092 1513TIP3 H251724 3.662 1.298 3.173 1513TIP3 OH251725 3.523 3.055 1.387 1513TIP3 H151726 3.500 3.083 1.477 1513TIP3 H251727 3.600 2.998 1.402 1514TIP3 OH251728 -3.159 4.202 2.012 1514TIP3 H151729 -3.187 4.295 2.013 1514TIP3 H251730 -3.233 4.162 1.965 1514TIP3 OH251731 -3.280 4.133 2.340 1514TIP3 H151732 -3.275 4.080 2.421 1514TIP3 H251733 -3.304 4.068 2.273 1514TIP3 OH251734 -4.021 4.075 2.497 1514TIP3 H151735 -4.034 4.008 2.566 1514TIP3 H251736 -3.970 4.140 2.546 1514TIP3 OH251737 -4.212 3.903 1.785 1514TIP3 H151738 -4.245 3.988 1.817 1514TIP3 H251739 -4.293 3.854 1.770 1514TIP3 OH251740 -4.194 4.120 2.052 1514TIP3 H151741 -4.195 4.057 2.125 1514TIP3 H251742 -4.100 4.143 2.051 1514TIP3 OH251743 -2.559 3.521 2.458 1514TIP3 H151744 -2.536 3.584 2.528 1514TIP3 H251745 -2.500 3.551 2.387 1514TIP3 OH251746 -3.095 3.803 2.445 1514TIP3 H151747 -3.084 3.706 2.449 1514TIP3 H251748 -3.103 3.817 2.350 1514TIP3 OH251749 -3.796 3.605 2.151 1514TIP3 H151750 -3.784 3.692 2.108 1514TIP3 H251751 -3.836 3.554 2.078 1514TIP3 OH251752 -3.030 3.597 1.961 1514TIP3 H151753 -2.966 3.569 2.029 1514TIP3 H251754 -2.976 3.654 1.904 1514TIP3 OH251755 -4.145 3.874 2.203 1514TIP3 H151756 -4.080 3.843 2.269 1514TIP3 H251757 -4.117 3.822 2.125 1515TIP3 OH251758 -3.587 4.017 2.148 1515TIP3 H151759 -3.520 3.959 2.189 1515TIP3 H251760 -3.645 3.953 2.104 1515TIP3 OH251761 -2.487 3.659 2.706 1515TIP3 H151762 -2.544 3.732 2.676 1515TIP3 H251763 -2.507 3.658 2.801 1515TIP3 OH251764 -3.919 3.485 2.568 1515TIP3 H151765 -3.960 3.537 2.497 1515TIP3 H251766 -3.981 3.503 2.642 1515TIP3 OH251767 -3.647 4.266 2.546 1515TIP3 H151768 -3.728 4.317 2.556 1515TIP3 H251769 -3.582 4.338 2.539 1515TIP3 OH251770 -2.839 3.544 2.183 1515TIP3 H151771 -2.881 3.494 2.254 1515TIP3 H251772 -2.786 3.609 2.233 1515TIP3 OH251773 -3.959 3.689 2.362 1515TIP3 H151774 -3.897 3.748 2.410 1515TIP3 H251775 -3.899 3.654 2.292 1515TIP3 OH251776 -2.819 3.456 2.570 1515TIP3 H151777 -2.895 3.501 2.530 1515TIP3 H251778 -2.746 3.481 2.510 1515TIP3 OH251779 -3.503 3.233 2.276 1515TIP3 H151780 -3.530 3.139 2.273 1515TIP3 H251781 -3.585 3.274 2.313 1515TIP3 OH251782 -3.308 4.143 1.751 1515TIP3 H151783 -3.372 4.179 1.688 1515TIP3 H251784 -3.229 4.135 1.694 1515TIP3 OH251785 -3.269 3.941 1.471 1515TIP3 H151786 -3.197 3.980 1.524 1515TIP3 H251787 -3.216 3.890 1.407 1516TIP3 OH251788 -2.555 4.055 2.576 1516TIP3 H151789 -2.620 4.127 2.589 1516TIP3 H251790 -2.504 4.094 2.502 1516TIP3 OH251791 -2.937 4.139 1.852 1516TIP3 H151792 -3.001 4.162 1.922 1516TIP3 H251793 -2.869 4.090 1.901 1516TIP3 OH251794 -2.963 3.980 2.744 1516TIP3 H151795 -2.960 4.056 2.805 1516TIP3 H251796 -3.018 4.018 2.674 1516TIP3 OH251797 -3.771 4.217 2.042 1516TIP3 H151798 -3.799 4.183 1.955 1516TIP3 H251799 -3.701 4.154 2.067 1516TIP3 OH251800 -3.729 4.073 2.380 1516TIP3 H151801 -3.667 4.079 2.305 1516TIP3 H251802 -3.697 4.144 2.440 1516TIP3 OH251803 -3.058 4.080 1.614 1516TIP3 H151804 -2.999 4.102 1.689 1516TIP3 H251805 -3.007 4.122 1.539 1516TIP3 OH251806 -3.950 4.150 2.778 1516TIP3 H151807 -3.949 4.205 2.859 1516TIP3 H251808 -4.046 4.142 2.766 1516TIP3 OH251809 -2.725 3.255 1.546 1516TIP3 H151810 -2.794 3.262 1.613 1516TIP3 H251811 -2.677 3.338 1.558 1516TIP3 OH251812 -3.894 4.085 1.794 1516TIP3 H151813 -3.911 4.164 1.740 1516TIP3 H251814 -3.964 4.025 1.764 1516TIP3 OH251815 -4.221 4.264 2.669 1516TIP3 H151816 -4.257 4.320 2.599 1516TIP3 H251817 -4.287 4.268 2.739 1517TIP3 OH251818 -2.763 3.838 2.978 1517TIP3 H151819 -2.815 3.875 2.906 1517TIP3 H251820 -2.759 3.744 2.951 1517TIP3 OH251821 -3.748 3.348 2.365 1517TIP3 H151822 -3.833 3.340 2.319 1517TIP3 H251823 -3.768 3.421 2.426 1517TIP3 OH251824 -3.311 3.303 2.729 1517TIP3 H151825 -3.260 3.254 2.797 1517TIP3 H251826 -3.403 3.275 2.746 1517TIP3 OH251827 -2.994 3.685 2.783 1517TIP3 H151828 -3.055 3.670 2.859 1517TIP3 H251829 -3.002 3.781 2.767 1517TIP3 OH251830 -2.910 4.175 1.410 1517TIP3 H151831 -2.914 4.159 1.314 1517TIP3 H251832 -2.822 4.219 1.413 1517TIP3 OH251833 -3.332 3.544 1.459 1517TIP3 H151834 -3.398 3.563 1.527 1517TIP3 H251835 -3.383 3.493 1.395 1517TIP3 OH251836 -3.762 3.826 2.512 1517TIP3 H151837 -3.826 3.837 2.585 1517TIP3 H251838 -3.757 3.917 2.474 1517TIP3 OH251839 -3.770 3.832 1.997 1517TIP3 H151840 -3.866 3.831 1.979 1517TIP3 H251841 -3.735 3.819 1.907 1517TIP3 OH251842 -3.208 3.897 1.875 1517TIP3 H151843 -3.251 3.976 1.838 1517TIP3 H251844 -3.137 3.881 1.810 1517TIP3 OH251845 -3.286 3.920 3.016 1517TIP3 H151846 -3.337 3.844 3.050 1517TIP3 H251847 -3.198 3.905 3.055 1518TIP3 OH251848 -3.119 3.819 2.146 1518TIP3 H151849 -3.147 3.878 2.073 1518TIP3 H251850 -3.103 3.737 2.096 1518TIP3 OH251851 -4.007 3.834 2.688 1518TIP3 H151852 -4.029 3.895 2.761 1518TIP3 H251853 -4.047 3.752 2.721 1518TIP3 OH251854 -3.685 3.598 1.353 1518TIP3 H151855 -3.731 3.562 1.431 1518TIP3 H251856 -3.759 3.623 1.296 1518TIP3 OH251857 -4.326 3.602 2.060 1518TIP3 H151858 -4.296 3.584 2.152 1518TIP3 H251859 -4.279 3.536 2.010 1518TIP3 OH251860 -4.207 3.642 1.638 1518TIP3 H151861 -4.148 3.674 1.567 1518TIP3 H251862 -4.291 3.683 1.612 1518TIP3 OH251863 -3.225 3.997 2.595 1518TIP3 H151864 -3.170 3.930 2.548 1518TIP3 H251865 -3.252 3.947 2.673 1518TIP3 OH251866 -3.502 3.590 2.089 1518TIP3 H151867 -3.593 3.594 2.125 1518TIP3 H251868 -3.449 3.576 2.170 1518TIP3 OH251869 -4.043 3.719 1.964 1518TIP3 H151870 -4.113 3.741 1.900 1518TIP3 H251871 -4.007 3.637 1.927 1518TIP3 OH251872 -3.664 3.739 1.726 1518TIP3 H151873 -3.571 3.764 1.742 1518TIP3 H251874 -3.696 3.807 1.664 1518TIP3 OH251875 -3.057 3.501 2.397 1518TIP3 H151876 -3.117 3.505 2.474 1518TIP3 H251877 -3.121 3.477 2.327 1519TIP3 OH251878 -3.823 3.872 1.514 1519TIP3 H151879 -3.883 3.845 1.443 1519TIP3 H251880 -3.743 3.896 1.464 1519TIP3 OH251881 -3.963 4.308 2.999 1519TIP3 H151882 -3.898 4.357 3.054 1519TIP3 H251883 -4.040 4.306 3.059 1519TIP3 OH251884 -3.387 3.845 2.277 1519TIP3 H151885 -3.310 3.803 2.236 1519TIP3 H251886 -3.401 3.789 2.356 1519TIP3 OH251887 -3.872 3.483 1.910 1519TIP3 H151888 -3.922 3.400 1.911 1519TIP3 H251889 -3.798 3.463 1.853 1519TIP3 OH251890 -3.491 3.695 2.506 1519TIP3 H151891 -3.569 3.753 2.507 1519TIP3 H251892 -3.442 3.723 2.586 1519TIP3 OH251893 -3.530 4.365 1.728 1519TIP3 H151894 -3.557 4.302 1.658 1519TIP3 H251895 -3.463 4.319 1.779 1519TIP3 OH251896 -2.730 4.266 2.564 1519TIP3 H151897 -2.705 4.312 2.481 1519TIP3 H251898 -2.826 4.256 2.545 1519TIP3 OH251899 -3.078 3.558 1.541 1519TIP3 H151900 -3.163 3.587 1.502 1519TIP3 H251901 -3.040 3.644 1.569 1519TIP3 OH251902 -2.988 3.802 1.684 1519TIP3 H151903 -2.898 3.789 1.719 1519TIP3 H251904 -2.977 3.883 1.631 1519TIP3 OH251905 -3.974 4.214 2.227 1519TIP3 H151906 -3.886 4.233 2.188 1519TIP3 H251907 -3.950 4.167 2.309 1520TIP3 OH251908 -4.207 4.017 2.811 1520TIP3 H151909 -4.232 4.053 2.898 1520TIP3 H251910 -4.280 4.050 2.756 1520TIP3 OH251911 -3.541 4.051 3.007 1520TIP3 H151912 -3.580 4.026 2.921 1520TIP3 H251913 -3.447 4.028 2.993 1520TIP3 OH251914 -2.537 3.800 1.654 1520TIP3 H151915 -2.591 3.787 1.573 1520TIP3 H251916 -2.521 3.897 1.642 1520TIP3 OH251917 -2.989 4.180 2.432 1520TIP3 H151918 -3.080 4.183 2.398 1520TIP3 H251919 -2.941 4.135 2.361 1520TIP3 OH251920 -4.158 4.098 1.477 1520TIP3 H151921 -4.084 4.149 1.514 1520TIP3 H251922 -4.230 4.162 1.492 1520TIP3 OH251923 -4.104 3.565 2.763 1520TIP3 H151924 -4.185 3.618 2.769 1520TIP3 H251925 -4.124 3.485 2.815 1520TIP3 OH251926 -3.959 -4.393 1.638 1520TIP3 H151927 -4.051 -4.358 1.644 1520TIP3 H251928 -3.911 -4.312 1.616 1520TIP3 OH251929 -3.207 3.545 2.618 1520TIP3 H151930 -3.150 3.579 2.690 1520TIP3 H251931 -3.259 3.476 2.663 1520TIP3 OH251932 -3.397 3.687 1.839 1520TIP3 H151933 -3.323 3.750 1.856 1520TIP3 H251934 -3.425 3.666 1.930 1520TIP3 OH251935 -3.364 3.789 2.759 1520TIP3 H151936 -3.364 3.841 2.841 1520TIP3 H251937 -3.315 3.711 2.786 1521TIP3 OH251938 -3.778 3.495 1.597 1521TIP3 H151939 -3.764 3.579 1.646 1521TIP3 H251940 -3.697 3.446 1.614 1521TIP3 OH251941 -2.741 3.583 2.846 1521TIP3 H151942 -2.837 3.597 2.831 1521TIP3 H251943 -2.714 3.565 2.755 1521TIP3 OH251944 -2.889 3.966 2.242 1521TIP3 H151945 -2.971 3.919 2.220 1521TIP3 H251946 -2.841 3.899 2.295 1521TIP3 OH251947 -4.115 3.797 1.414 1521TIP3 H151948 -4.109 3.892 1.433 1521TIP3 H251949 -4.195 3.788 1.361 1521TIP3 OH251950 -4.022 3.292 2.282 1521TIP3 H151951 -4.060 3.295 2.192 1521TIP3 H251952 -4.068 3.216 2.321 1521TIP3 OH251953 -4.214 4.329 3.124 1521TIP3 H151954 -4.223 4.234 3.107 1521TIP3 H251955 -4.307 4.352 3.103 1521TIP3 OH251956 -3.585 4.329 3.045 1521TIP3 H151957 -3.585 4.345 2.948 1521TIP3 H251958 -3.552 4.237 3.049 1521TIP3 OH251959 -2.985 -4.376 2.819 1521TIP3 H151960 -2.906 -4.332 2.785 1521TIP3 H251961 -3.053 -4.311 2.800 1521TIP3 OH251962 -4.124 4.039 3.078 1521TIP3 H151963 -4.055 3.971 3.065 1521TIP3 H251964 -4.138 4.040 3.173 1521TIP3 OH251965 -3.661 4.161 1.570 1521TIP3 H151966 -3.727 4.121 1.628 1521TIP3 H251967 -3.647 4.091 1.503 1522TIP3 OH251968 -3.740 3.935 2.810 1522TIP3 H151969 -3.807 4.005 2.822 1522TIP3 H251970 -3.685 3.972 2.739 1522TIP3 OH251971 -3.578 3.954 1.397 1522TIP3 H151972 -3.580 3.973 1.301 1522TIP3 H251973 -3.483 3.958 1.415 1522TIP3 OH251974 -3.218 4.216 3.157 1522TIP3 H151975 -3.131 4.195 3.123 1522TIP3 H251976 -3.252 4.131 3.185 1522TIP3 OH251977 -2.663 4.219 1.301 1522TIP3 H151978 -2.601 4.172 1.244 1522TIP3 H251979 -2.613 4.298 1.327 1522TIP3 OH251980 -3.690 3.663 2.915 1522TIP3 H151981 -3.684 3.599 2.842 1522TIP3 H251982 -3.713 3.745 2.867 1522TIP3 OH251983 -3.655 3.507 2.657 1522TIP3 H151984 -3.605 3.565 2.596 1522TIP3 H251985 -3.748 3.515 2.625 1522TIP3 OH251986 -3.504 4.067 2.690 1522TIP3 H151987 -3.420 4.057 2.642 1522TIP3 H251988 -3.542 4.148 2.650 1522TIP3 OH251989 -3.043 3.849 3.175 1522TIP3 H151990 -3.023 3.756 3.195 1522TIP3 H251991 -2.954 3.887 3.174 1522TIP3 OH251992 -2.947 4.136 3.013 1522TIP3 H151993 -2.971 4.208 2.950 1522TIP3 H251994 -2.856 4.118 2.984 1522TIP3 OH251995 -3.874 3.849 3.102 1522TIP3 H151996 -3.929 3.769 3.091 1522TIP3 H251997 -3.796 3.826 3.049 1523TIP3 OH251998 -3.584 3.241 2.692 1523TIP3 H151999 -3.601 3.336 2.677 1523TIP3 H252000 -3.659 3.202 2.642 1523TIP3 OH252001 -3.457 3.700 3.073 1523TIP3 H152002 -3.491 3.681 3.162 1523TIP3 H252003 -3.537 3.682 3.020 1523TIP3 OH252004 -3.207 3.603 2.959 1523TIP3 H152005 -3.294 3.613 3.003 1523TIP3 H252006 -3.160 3.544 3.020 1523TIP3 OH252007 -3.021 3.453 3.132 1523TIP3 H152008 -3.037 3.358 3.151 1523TIP3 H252009 -3.038 3.496 3.218 1523TIP3 OH252010 -4.014 3.599 3.078 1523TIP3 H152011 -4.018 3.527 3.013 1523TIP3 H252012 -4.033 3.551 3.161 1523TIP3 OH252013 -3.603 3.192 2.977 1523TIP3 H152014 -3.543 3.116 2.983 1523TIP3 H252015 -3.604 3.208 2.880 1523TIP3 OH252016 -3.506 3.378 3.161 1523TIP3 H152017 -3.541 3.319 3.091 1523TIP3 H252018 -3.573 3.448 3.166 1523TIP3 OH252019 -2.567 4.364 1.761 1523TIP3 H152020 -2.474 4.361 1.731 1523TIP3 H252021 -2.581 4.274 1.796 1523TIP3 OH252022 -2.529 4.130 1.926 1523TIP3 H152023 -2.608 4.088 1.965 1523TIP3 H252024 -2.474 4.152 2.003 1523TIP3 OH252025 -2.514 4.075 1.592 1523TIP3 H152026 -2.527 4.104 1.500 1523TIP3 H252027 -2.484 4.156 1.633 1524TIP3 OH252028 -2.686 3.842 1.410 1524TIP3 H152029 -2.663 3.909 1.344 1524TIP3 H252030 -2.707 3.764 1.355 1524TIP3 OH252031 -2.759 3.964 1.998 1524TIP3 H152032 -2.760 3.868 1.985 1524TIP3 H252033 -2.794 3.972 2.089 1524TIP3 OH252034 -4.246 4.217 2.382 1524TIP3 H152035 -4.229 4.177 2.296 1524TIP3 H252036 -4.182 4.171 2.440 1524TIP3 OH252037 -2.671 4.160 2.919 1524TIP3 H152038 -2.599 4.101 2.948 1524TIP3 H252039 -2.627 4.244 2.897 1524TIP3 OH252040 -2.529 3.965 3.037 1524TIP3 H152041 -2.610 3.913 3.019 1524TIP3 H252042 -2.461 3.896 3.041 1524TIP3 OH252043 -2.741 3.576 1.330 1524TIP3 H152044 -2.682 3.527 1.390 1524TIP3 H252045 -2.819 3.520 1.322 1524TIP3 OH252046 -2.754 3.703 1.826 1524TIP3 H152047 -2.731 3.608 1.828 1524TIP3 H252048 -2.674 3.741 1.785 1524TIP3 OH252049 -2.737 3.765 2.367 1524TIP3 H152050 -2.641 3.779 2.364 1524TIP3 H252051 -2.752 3.773 2.463 1524TIP3 OH252052 -2.720 3.837 2.649 1524TIP3 H152053 -2.806 3.876 2.675 1524TIP3 H252054 -2.669 3.917 2.626 1524TIP3 OH252055 -4.296 3.699 2.976 1524TIP3 H152056 -4.208 3.688 3.015 1524TIP3 H252057 -4.356 3.654 3.037 1525TIP3 OH252058 -2.463 3.253 3.179 1525TIP3 H152059 -2.422 3.184 3.124 1525TIP3 H252060 -2.461 3.330 3.120 1525TIP3 OH252061 -2.734 3.405 1.816 1525TIP3 H152062 -2.703 3.390 1.908 1525TIP3 H252063 -2.814 3.352 1.816 1525TIP3 OH252064 -4.194 3.552 2.310 1525TIP3 H152065 -4.158 3.464 2.326 1525TIP3 H252066 -4.123 3.609 2.345 1525TIP3 OH252067 -4.333 3.807 2.403 1525TIP3 H152068 -4.280 3.780 2.327 1525TIP3 H252069 -4.324 3.903 2.400 1525TIP3 OH252070 -2.526 3.458 3.003 1525TIP3 H152071 -2.613 3.500 3.011 1525TIP3 H252072 -2.539 3.403 2.923 1525TIP3 OH252073 -2.522 3.467 1.493 1525TIP3 H152074 -2.484 3.393 1.442 1525TIP3 H252075 -2.446 3.527 1.502 1525TIP3 OH252076 -4.317 3.429 1.764 1525TIP3 H152077 -4.401 3.459 1.726 1525TIP3 H252078 -4.257 3.500 1.729 1525TIP3 OH252079 -4.294 3.322 2.595 1525TIP3 H152080 -4.359 3.319 2.669 1525TIP3 H252081 -4.337 3.377 2.527 1525TIP3 OH252082 -2.641 3.280 2.801 1525TIP3 H152083 -2.720 3.303 2.749 1525TIP3 H252084 -2.619 3.191 2.767 1525TIP3 OH252085 -3.289 3.428 2.234 1525TIP3 H152086 -3.359 3.362 2.250 1525TIP3 H252087 -3.224 3.379 2.180 1526TIP3 OH252088 -2.799 3.228 2.290 1526TIP3 H152089 -2.723 3.278 2.256 1526TIP3 H252090 -2.872 3.270 2.243 1526TIP3 OH252091 -2.602 3.346 2.067 1526TIP3 H152092 -2.525 3.303 2.026 1526TIP3 H252093 -2.566 3.436 2.084 1526TIP3 OH252094 -4.104 3.288 1.999 1526TIP3 H152095 -4.180 3.261 1.946 1526TIP3 H252096 -4.047 3.210 1.992 1526TIP3 OH252097 -4.181 3.249 1.584 1526TIP3 H152098 -4.131 3.316 1.533 1526TIP3 H252099 -4.234 3.306 1.642 1526TIP3 OH252100 -3.594 3.284 1.986 1526TIP3 H152101 -3.514 3.336 2.002 1526TIP3 H252102 -3.627 3.277 2.076 1526TIP3 OH252103 -3.064 3.283 2.124 1526TIP3 H152104 -3.020 3.260 2.041 1526TIP3 H252105 -3.092 3.196 2.157 1526TIP3 OH252106 -4.006 3.435 1.438 1526TIP3 H152107 -3.948 3.379 1.384 1526TIP3 H252108 -3.945 3.466 1.507 1526TIP3 OH252109 -3.438 3.431 1.715 1526TIP3 H152110 -3.491 3.381 1.779 1526TIP3 H252111 -3.465 3.522 1.736 1526TIP3 OH252112 -4.080 3.326 2.953 1526TIP3 H152113 -4.125 3.250 2.994 1526TIP3 H252114 -3.989 3.313 2.985 1526TIP3 OH252115 -3.845 3.263 3.129 1526TIP3 H152116 -3.763 3.227 3.091 1526TIP3 H252117 -3.879 3.185 3.176 1527TIP3 OH252118 -3.032 3.171 3.143 1527TIP3 H152119 -3.030 3.131 3.232 1527TIP3 H252120 -2.937 3.172 3.120 1527TIP3 OH252121 -1.273 4.205 2.011 1527TIP3 H152122 -1.305 4.296 2.008 1527TIP3 H252123 -1.346 4.159 1.967 1527TIP3 OH252124 -1.390 4.133 2.339 1527TIP3 H152125 -1.389 4.079 2.419 1527TIP3 H252126 -1.418 4.069 2.272 1527TIP3 OH252127 -2.148 4.081 2.499 1527TIP3 H152128 -2.149 4.008 2.563 1527TIP3 H252129 -2.075 4.134 2.533 1527TIP3 OH252130 -2.381 3.883 1.896 1527TIP3 H152131 -2.419 3.973 1.898 1527TIP3 H252132 -2.448 3.836 1.846 1527TIP3 OH252133 -2.283 4.135 2.083 1527TIP3 H152134 -2.283 4.052 2.135 1527TIP3 H252135 -2.207 4.118 2.026 1527TIP3 OH252136 -0.675 3.523 2.458 1527TIP3 H152137 -0.648 3.584 2.529 1527TIP3 H252138 -0.614 3.549 2.387 1527TIP3 OH252139 -1.209 3.802 2.447 1527TIP3 H152140 -1.196 3.705 2.446 1527TIP3 H252141 -1.219 3.820 2.352 1527TIP3 OH252142 -1.914 3.605 2.154 1527TIP3 H152143 -1.899 3.690 2.108 1527TIP3 H252144 -1.948 3.552 2.079 1527TIP3 OH252145 -1.128 3.624 1.985 1527TIP3 H152146 -1.070 3.580 2.050 1527TIP3 H252147 -1.063 3.667 1.928 1528TIP3 OH252148 -2.247 3.876 2.204 1528TIP3 H152149 -2.182 3.830 2.259 1528TIP3 H252150 -2.237 3.829 2.119 1528TIP3 OH252151 -1.703 4.019 2.151 1528TIP3 H152152 -1.636 3.960 2.191 1528TIP3 H252153 -1.758 3.955 2.101 1528TIP3 OH252154 -0.602 3.659 2.707 1528TIP3 H152155 -0.661 3.731 2.678 1528TIP3 H252156 -0.620 3.657 2.802 1528TIP3 OH252157 -2.034 3.484 2.568 1528TIP3 H152158 -2.074 3.535 2.496 1528TIP3 H252159 -2.100 3.500 2.639 1528TIP3 OH252160 -1.762 4.266 2.547 1528TIP3 H152161 -1.844 4.319 2.550 1528TIP3 H252162 -1.697 4.338 2.536 1528TIP3 OH252163 -0.946 3.548 2.187 1528TIP3 H152164 -0.981 3.483 2.249 1528TIP3 H252165 -0.894 3.606 2.245 1528TIP3 OH252166 -2.073 3.689 2.363 1528TIP3 H152167 -2.009 3.747 2.409 1528TIP3 H252168 -2.016 3.653 2.291 1528TIP3 OH252169 -0.936 3.472 2.573 1528TIP3 H152170 -1.013 3.499 2.518 1528TIP3 H252171 -0.862 3.482 2.511 1528TIP3 OH252172 -1.619 3.234 2.278 1528TIP3 H152173 -1.641 3.139 2.270 1528TIP3 H252174 -1.702 3.270 2.314 1528TIP3 OH252175 -1.423 4.145 1.751 1528TIP3 H152176 -1.488 4.179 1.689 1528TIP3 H252177 -1.346 4.134 1.692 1529TIP3 OH252178 -1.381 3.942 1.469 1529TIP3 H152179 -1.307 3.979 1.522 1529TIP3 H252180 -1.332 3.891 1.403 1529TIP3 OH252181 -0.669 4.056 2.576 1529TIP3 H152182 -0.737 4.127 2.585 1529TIP3 H252183 -0.618 4.092 2.500 1529TIP3 OH252184 -1.049 4.142 1.853 1529TIP3 H152185 -1.117 4.162 1.921 1529TIP3 H252186 -0.985 4.089 1.903 1529TIP3 OH252187 -1.077 3.969 2.748 1529TIP3 H152188 -1.076 4.045 2.809 1529TIP3 H252189 -1.134 4.005 2.677 1529TIP3 OH252190 -1.900 4.207 2.047 1529TIP3 H152191 -1.919 4.182 1.955 1529TIP3 H252192 -1.820 4.154 2.066 1529TIP3 OH252193 -1.842 4.065 2.389 1529TIP3 H152194 -1.788 4.073 2.308 1529TIP3 H252195 -1.812 4.142 2.442 1529TIP3 OH252196 -1.169 4.074 1.616 1529TIP3 H152197 -1.112 4.101 1.691 1529TIP3 H252198 -1.123 4.119 1.541 1529TIP3 OH252199 -2.058 4.145 2.773 1529TIP3 H152200 -2.046 4.209 2.847 1529TIP3 H252201 -2.155 4.139 2.771 1529TIP3 OH252202 -0.820 3.247 1.558 1529TIP3 H152203 -0.908 3.255 1.599 1529TIP3 H252204 -0.785 3.337 1.565 1529TIP3 OH252205 -2.008 4.078 1.802 1529TIP3 H152206 -2.025 4.160 1.749 1529TIP3 H252207 -2.068 4.016 1.759 1530TIP3 OH252208 -2.412 4.309 2.675 1530TIP3 H152209 -2.413 4.292 2.580 1530TIP3 H252210 -2.380 4.224 2.711 1530TIP3 OH252211 -0.891 3.833 2.982 1530TIP3 H152212 -0.925 3.876 2.902 1530TIP3 H252213 -0.875 3.742 2.950 1530TIP3 OH252214 -1.862 3.348 2.369 1530TIP3 H152215 -1.943 3.342 2.316 1530TIP3 H252216 -1.886 3.422 2.427 1530TIP3 OH252217 -1.423 3.308 2.737 1530TIP3 H152218 -1.372 3.250 2.796 1530TIP3 H252219 -1.514 3.272 2.745 1530TIP3 OH252220 -1.159 3.682 2.819 1530TIP3 H152221 -1.130 3.680 2.911 1530TIP3 H252222 -1.125 3.767 2.787 1530TIP3 OH252223 -1.030 4.176 1.410 1530TIP3 H152224 -1.037 4.159 1.315 1530TIP3 H252225 -0.940 4.214 1.416 1530TIP3 OH252226 -1.444 3.557 1.459 1530TIP3 H152227 -1.494 3.545 1.540 1530TIP3 H252228 -1.486 3.490 1.401 1530TIP3 OH252229 -1.873 3.824 2.516 1530TIP3 H152230 -1.939 3.838 2.586 1530TIP3 H252231 -1.866 3.914 2.476 1530TIP3 OH252232 -1.880 3.832 1.998 1530TIP3 H152233 -1.975 3.828 1.981 1530TIP3 H252234 -1.845 3.815 1.909 1530TIP3 OH252235 -1.320 3.901 1.878 1530TIP3 H152236 -1.368 3.974 1.836 1530TIP3 H252237 -1.254 3.878 1.810 1531TIP3 OH252238 -1.236 3.831 2.151 1531TIP3 H152239 -1.265 3.885 2.075 1531TIP3 H252240 -1.212 3.749 2.104 1531TIP3 OH252241 -2.134 3.840 2.688 1531TIP3 H152242 -2.119 3.881 2.775 1531TIP3 H252243 -2.172 3.754 2.713 1531TIP3 OH252244 -1.800 3.599 1.347 1531TIP3 H152245 -1.836 3.567 1.432 1531TIP3 H252246 -1.880 3.620 1.298 1531TIP3 OH252247 -2.460 3.584 2.060 1531TIP3 H152248 -2.396 3.589 2.134 1531TIP3 H252249 -2.406 3.555 1.986 1531TIP3 OH252250 -2.303 3.637 1.620 1531TIP3 H152251 -2.247 3.690 1.559 1531TIP3 H252252 -2.370 3.704 1.641 1531TIP3 OH252253 -1.337 3.996 2.596 1531TIP3 H152254 -1.285 3.930 2.545 1531TIP3 H252255 -1.372 3.941 2.668 1531TIP3 OH252256 -1.604 3.596 2.101 1531TIP3 H152257 -1.699 3.590 2.121 1531TIP3 H252258 -1.564 3.573 2.187 1531TIP3 OH252259 -2.153 3.714 1.971 1531TIP3 H152260 -2.229 3.745 1.919 1531TIP3 H252261 -2.119 3.639 1.919 1531TIP3 OH252262 -1.785 3.751 1.738 1531TIP3 H152263 -1.689 3.761 1.737 1531TIP3 H252264 -1.815 3.806 1.662 1531TIP3 OH252265 -1.167 3.508 2.405 1531TIP3 H152266 -1.236 3.509 2.475 1531TIP3 H252267 -1.219 3.473 2.331 1532TIP3 OH252268 -1.933 3.867 1.518 1532TIP3 H152269 -2.003 3.858 1.451 1532TIP3 H252270 -1.858 3.893 1.462 1532TIP3 OH252271 -2.046 4.316 2.978 1532TIP3 H152272 -1.991 4.364 3.043 1532TIP3 H252273 -2.128 4.304 3.032 1532TIP3 OH252274 -1.503 3.850 2.284 1532TIP3 H152275 -1.431 3.807 2.237 1532TIP3 H252276 -1.519 3.789 2.359 1532TIP3 OH252277 -1.974 3.491 1.900 1532TIP3 H152278 -2.027 3.410 1.913 1532TIP3 H252279 -1.893 3.456 1.860 1532TIP3 OH252280 -1.606 3.698 2.509 1532TIP3 H152281 -1.685 3.754 2.510 1532TIP3 H252282 -1.558 3.725 2.590 1532TIP3 OH252283 -1.631 4.366 1.718 1532TIP3 H152284 -1.678 4.300 1.662 1532TIP3 H252285 -1.586 4.312 1.784 1532TIP3 OH252286 -0.842 4.271 2.567 1532TIP3 H152287 -0.820 4.311 2.481 1532TIP3 H252288 -0.938 4.257 2.550 1532TIP3 OH252289 -1.176 3.617 1.474 1532TIP3 H152290 -1.275 3.613 1.469 1532TIP3 H252291 -1.159 3.690 1.536 1532TIP3 OH252292 -1.109 3.798 1.682 1532TIP3 H152293 -1.020 3.781 1.719 1532TIP3 H252294 -1.097 3.884 1.638 1532TIP3 OH252295 -2.044 4.252 2.273 1532TIP3 H152296 -1.991 4.243 2.191 1532TIP3 H252297 -2.043 4.162 2.307 1533TIP3 OH252298 -2.344 4.078 2.800 1533TIP3 H152299 -2.337 4.043 2.891 1533TIP3 H252300 -2.421 4.031 2.764 1533TIP3 OH252301 -1.642 4.036 3.005 1533TIP3 H152302 -1.679 4.023 2.916 1533TIP3 H252303 -1.547 4.044 2.987 1533TIP3 OH252304 -0.650 3.797 1.653 1533TIP3 H152305 -0.705 3.778 1.575 1533TIP3 H252306 -0.637 3.893 1.638 1533TIP3 OH252307 -1.102 4.180 2.432 1533TIP3 H152308 -1.193 4.183 2.399 1533TIP3 H252309 -1.056 4.133 2.360 1533TIP3 OH252310 -2.222 3.565 2.768 1533TIP3 H152311 -2.312 3.590 2.741 1533TIP3 H252312 -2.236 3.477 2.808 1533TIP3 OH252313 -2.077 -4.389 1.669 1533TIP3 H152314 -2.172 -4.369 1.658 1533TIP3 H252315 -2.039 -4.326 1.607 1533TIP3 OH252316 -1.329 3.553 2.624 1533TIP3 H152317 -1.266 3.577 2.694 1533TIP3 H252318 -1.375 3.475 2.661 1533TIP3 OH252319 -1.262 3.493 1.748 1533TIP3 H152320 -1.244 3.545 1.668 1533TIP3 H252321 -1.215 3.543 1.816 1533TIP3 OH252322 -1.517 3.692 1.842 1533TIP3 H152323 -1.441 3.751 1.858 1533TIP3 H252324 -1.549 3.676 1.933 1533TIP3 OH252325 -1.470 3.801 2.769 1533TIP3 H152326 -1.466 3.836 2.859 1533TIP3 H252327 -1.416 3.721 2.772 1534TIP3 OH252328 -1.461 3.394 1.937 1534TIP3 H152329 -1.481 3.465 2.001 1534TIP3 H252330 -1.388 3.434 1.885 1534TIP3 OH252331 -1.888 3.494 1.589 1534TIP3 H152332 -1.885 3.572 1.648 1534TIP3 H252333 -1.806 3.448 1.616 1534TIP3 OH252334 -0.866 3.590 2.843 1534TIP3 H152335 -0.961 3.583 2.824 1534TIP3 H252336 -0.831 3.565 2.756 1534TIP3 OH252337 -1.002 3.968 2.243 1534TIP3 H152338 -1.086 3.923 2.221 1534TIP3 H252339 -0.955 3.899 2.294 1534TIP3 OH252340 -2.241 3.831 1.416 1534TIP3 H152341 -2.221 3.925 1.397 1534TIP3 H252342 -2.323 3.822 1.367 1534TIP3 OH252343 -2.142 3.304 2.286 1534TIP3 H152344 -2.158 3.302 2.190 1534TIP3 H252345 -2.174 3.217 2.315 1534TIP3 OH252346 -2.291 4.307 3.090 1534TIP3 H152347 -2.314 4.213 3.097 1534TIP3 H252348 -2.373 4.352 3.068 1534TIP3 OH252349 -1.704 4.322 3.045 1534TIP3 H152350 -1.701 4.341 2.949 1534TIP3 H252351 -1.662 4.234 3.050 1534TIP3 OH252352 -1.099 -4.373 2.821 1534TIP3 H152353 -1.025 -4.326 2.780 1534TIP3 H252354 -1.173 -4.316 2.797 1534TIP3 OH252355 -2.234 4.023 3.064 1534TIP3 H152356 -2.157 3.965 3.058 1534TIP3 H252357 -2.233 4.045 3.158 1535TIP3 OH252358 -1.770 4.157 1.582 1535TIP3 H152359 -1.845 4.119 1.628 1535TIP3 H252360 -1.761 4.096 1.506 1535TIP3 OH252361 -1.857 3.935 2.809 1535TIP3 H152362 -1.918 4.010 2.823 1535TIP3 H252363 -1.800 3.969 2.739 1535TIP3 OH252364 -1.694 3.957 1.397 1535TIP3 H152365 -1.699 3.970 1.301 1535TIP3 H252366 -1.597 3.958 1.413 1535TIP3 OH252367 -1.350 4.167 3.119 1535TIP3 H152368 -1.259 4.198 3.129 1535TIP3 H252369 -1.370 4.137 3.209 1535TIP3 OH252370 -0.762 4.189 1.321 1535TIP3 H152371 -0.772 4.183 1.224 1535TIP3 H252372 -0.759 4.286 1.338 1535TIP3 OH252373 -1.792 3.667 2.919 1535TIP3 H152374 -1.794 3.599 2.849 1535TIP3 H252375 -1.818 3.746 2.870 1535TIP3 OH252376 -1.772 3.511 2.661 1535TIP3 H152377 -1.721 3.564 2.596 1535TIP3 H252378 -1.863 3.514 2.625 1535TIP3 OH252379 -1.617 4.070 2.693 1535TIP3 H152380 -1.536 4.059 2.639 1535TIP3 H252381 -1.658 4.148 2.651 1535TIP3 OH252382 -1.059 4.128 3.006 1535TIP3 H152383 -1.085 4.203 2.949 1535TIP3 H252384 -0.965 4.120 2.982 1535TIP3 OH252385 -1.987 3.848 3.097 1535TIP3 H152386 -2.039 3.766 3.093 1535TIP3 H252387 -1.906 3.823 3.049 1536TIP3 OH252388 -1.699 3.245 2.697 1536TIP3 H152389 -1.718 3.339 2.680 1536TIP3 H252390 -1.767 3.201 2.642 1536TIP3 OH252391 -1.537 3.703 3.085 1536TIP3 H152392 -1.596 3.686 3.161 1536TIP3 H252393 -1.603 3.693 3.014 1536TIP3 OH252394 -1.171 3.505 3.184 1536TIP3 H152395 -1.164 3.414 3.151 1536TIP3 H252396 -1.181 3.488 3.279 1536TIP3 OH252397 -2.117 3.594 3.077 1536TIP3 H152398 -2.127 3.523 3.012 1536TIP3 H252399 -2.139 3.547 3.160 1536TIP3 OH252400 -1.711 3.195 2.980 1536TIP3 H152401 -1.654 3.116 2.983 1536TIP3 H252402 -1.718 3.209 2.884 1536TIP3 OH252403 -1.611 3.386 3.164 1536TIP3 H152404 -1.642 3.325 3.095 1536TIP3 H252405 -1.683 3.452 3.168 1536TIP3 OH252406 -0.681 4.364 1.763 1536TIP3 H152407 -0.587 4.361 1.743 1536TIP3 H252408 -0.699 4.279 1.806 1536TIP3 OH252409 -0.645 4.131 1.925 1536TIP3 H152410 -0.723 4.088 1.964 1536TIP3 H252411 -0.590 4.152 2.002 1536TIP3 OH252412 -0.627 4.093 1.577 1536TIP3 H152413 -0.690 4.115 1.505 1536TIP3 H252414 -0.641 4.167 1.637 1536TIP3 OH252415 -0.800 3.843 1.411 1536TIP3 H152416 -0.780 3.906 1.339 1536TIP3 H252417 -0.824 3.762 1.362 1537TIP3 OH252418 -0.871 3.966 1.999 1537TIP3 H152419 -0.874 3.869 1.985 1537TIP3 H252420 -0.908 3.973 2.090 1537TIP3 OH252421 -2.386 4.187 2.397 1537TIP3 H152422 -2.376 4.204 2.302 1537TIP3 H252423 -2.295 4.161 2.421 1537TIP3 OH252424 -0.786 4.165 2.920 1537TIP3 H152425 -0.715 4.102 2.944 1537TIP3 H252426 -0.739 4.250 2.908 1537TIP3 OH252427 -0.647 3.964 3.030 1537TIP3 H152428 -0.726 3.908 3.020 1537TIP3 H252429 -0.576 3.897 3.041 1537TIP3 OH252430 -0.855 3.579 1.330 1537TIP3 H152431 -0.798 3.528 1.390 1537TIP3 H252432 -0.935 3.525 1.323 1537TIP3 OH252433 -0.872 3.706 1.826 1537TIP3 H152434 -0.849 3.611 1.831 1537TIP3 H252435 -0.792 3.741 1.784 1537TIP3 OH252436 -0.851 3.768 2.368 1537TIP3 H152437 -0.754 3.779 2.365 1537TIP3 H252438 -0.866 3.770 2.464 1537TIP3 OH252439 -0.838 3.839 2.655 1537TIP3 H152440 -0.924 3.881 2.675 1537TIP3 H252441 -0.784 3.915 2.627 1537TIP3 OH252442 -2.387 3.716 3.017 1537TIP3 H152443 -2.293 3.690 3.020 1537TIP3 H252444 -2.431 3.629 3.025 1537TIP3 OH252445 -0.582 3.253 3.176 1537TIP3 H152446 -0.537 3.184 3.123 1537TIP3 H252447 -0.575 3.331 3.119 1538TIP3 OH252448 -0.827 3.427 1.822 1538TIP3 H152449 -0.817 3.392 1.913 1538TIP3 H252450 -0.906 3.378 1.792 1538TIP3 OH252451 -2.308 3.546 2.299 1538TIP3 H152452 -2.260 3.461 2.305 1538TIP3 H252453 -2.240 3.608 2.332 1538TIP3 OH252454 -2.454 3.814 2.404 1538TIP3 H152455 -2.395 3.813 2.327 1538TIP3 H252456 -2.422 3.894 2.449 1538TIP3 OH252457 -0.640 3.461 2.999 1538TIP3 H152458 -0.729 3.497 3.014 1538TIP3 H252459 -0.656 3.404 2.922 1538TIP3 OH252460 -0.630 3.475 1.490 1538TIP3 H152461 -0.600 3.395 1.444 1538TIP3 H252462 -0.548 3.527 1.495 1538TIP3 OH252463 -2.416 3.449 1.801 1538TIP3 H152464 -2.509 3.461 1.777 1538TIP3 H252465 -2.370 3.509 1.741 1538TIP3 OH252466 -2.400 3.336 2.622 1538TIP3 H152467 -2.471 3.311 2.683 1538TIP3 H252468 -2.449 3.390 2.557 1538TIP3 OH252469 -0.757 3.280 2.803 1538TIP3 H152470 -0.836 3.296 2.748 1538TIP3 H252471 -0.731 3.191 2.771 1538TIP3 OH252472 -1.411 3.429 2.250 1538TIP3 H152473 -1.480 3.361 2.262 1538TIP3 H252474 -1.352 3.385 2.188 1538TIP3 OH252475 -0.917 3.239 2.298 1538TIP3 H152476 -0.840 3.276 2.251 1538TIP3 H252477 -0.990 3.258 2.237 1539TIP3 OH252478 -0.707 3.343 2.084 1539TIP3 H152479 -0.638 3.299 2.031 1539TIP3 H252480 -0.675 3.435 2.089 1539TIP3 OH252481 -2.178 3.300 2.005 1539TIP3 H152482 -2.264 3.285 1.960 1539TIP3 H252483 -2.133 3.215 1.989 1539TIP3 OH252484 -2.296 3.250 1.594 1539TIP3 H152485 -2.243 3.314 1.541 1539TIP3 H252486 -2.337 3.308 1.660 1539TIP3 OH252487 -1.730 3.286 1.992 1539TIP3 H152488 -1.638 3.312 1.975 1539TIP3 H252489 -1.729 3.273 2.088 1539TIP3 OH252490 -1.169 3.288 2.133 1539TIP3 H152491 -1.142 3.271 2.042 1539TIP3 H252492 -1.209 3.202 2.158 1539TIP3 OH252493 -1.058 3.289 1.731 1539TIP3 H152494 -1.141 3.338 1.715 1539TIP3 H252495 -1.092 3.199 1.749 1539TIP3 OH252496 -2.124 3.427 1.437 1539TIP3 H152497 -2.059 3.377 1.383 1539TIP3 H252498 -2.066 3.465 1.505 1539TIP3 OH252499 -1.616 3.450 1.697 1539TIP3 H152500 -1.579 3.392 1.765 1539TIP3 H252501 -1.594 3.537 1.734 1539TIP3 OH252502 -2.197 3.324 2.956 1539TIP3 H152503 -2.236 3.243 2.992 1539TIP3 H252504 -2.104 3.312 2.983 1539TIP3 OH252505 -1.957 3.264 3.132 1539TIP3 H152506 -1.875 3.229 3.091 1539TIP3 H252507 -1.993 3.184 3.173 1540TIP3 OH252508 -1.143 3.204 3.149 1540TIP3 H152509 -1.145 3.153 3.233 1540TIP3 H252510 -1.049 3.193 3.123 1540TIP3 OH252511 0.607 4.204 2.024 1540TIP3 H152512 0.584 4.296 2.001 1540TIP3 H252513 0.540 4.157 1.972 1540TIP3 OH252514 -0.258 4.078 2.496 1540TIP3 H152515 -0.263 4.006 2.561 1540TIP3 H252516 -0.194 4.137 2.539 1540TIP3 OH252517 -0.492 3.888 1.894 1540TIP3 H152518 -0.539 3.973 1.898 1540TIP3 H252519 -0.560 3.831 1.854 1540TIP3 OH252520 -0.394 4.137 2.084 1540TIP3 H152521 -0.398 4.054 2.135 1540TIP3 H252522 -0.321 4.115 2.024 1540TIP3 OH252523 1.206 3.531 2.453 1540TIP3 H152524 1.236 3.586 2.527 1540TIP3 H252525 1.272 3.554 2.385 1540TIP3 OH252526 0.664 3.824 2.444 1540TIP3 H152527 0.676 3.735 2.481 1540TIP3 H252528 0.663 3.804 2.349 1540TIP3 OH252529 -0.028 3.607 2.153 1540TIP3 H152530 -0.015 3.691 2.105 1540TIP3 H252531 -0.062 3.552 2.079 1540TIP3 OH252532 0.758 3.624 1.984 1540TIP3 H152533 0.816 3.579 2.050 1540TIP3 H252534 0.824 3.666 1.928 1540TIP3 OH252535 -0.360 3.878 2.202 1540TIP3 H152536 -0.298 3.830 2.259 1540TIP3 H252537 -0.351 3.829 2.119 1541TIP3 OH252538 0.181 4.019 2.151 1541TIP3 H152539 0.249 3.962 2.192 1541TIP3 H252540 0.128 3.954 2.101 1541TIP3 OH252541 1.283 3.662 2.705 1541TIP3 H152542 1.225 3.735 2.678 1541TIP3 H252543 1.260 3.656 2.799 1541TIP3 OH252544 -0.146 3.485 2.568 1541TIP3 H152545 -0.189 3.533 2.496 1541TIP3 H252546 -0.212 3.497 2.639 1541TIP3 OH252547 0.120 4.261 2.550 1541TIP3 H152548 0.039 4.314 2.552 1541TIP3 H252549 0.186 4.332 2.543 1541TIP3 OH252550 0.939 3.549 2.187 1541TIP3 H152551 0.904 3.485 2.251 1541TIP3 H252552 0.995 3.604 2.243 1541TIP3 OH252553 -0.188 3.689 2.362 1541TIP3 H152554 -0.123 3.747 2.407 1541TIP3 H252555 -0.131 3.652 2.291 1541TIP3 OH252556 0.952 3.464 2.571 1541TIP3 H152557 0.875 3.500 2.524 1541TIP3 H252558 1.025 3.481 2.509 1541TIP3 OH252559 0.266 3.234 2.277 1541TIP3 H152560 0.245 3.139 2.272 1541TIP3 H252561 0.184 3.270 2.315 1541TIP3 OH252562 0.464 4.147 1.752 1541TIP3 H152563 0.398 4.173 1.687 1541TIP3 H252564 0.541 4.133 1.694 1541TIP3 OH252565 0.504 3.942 1.471 1541TIP3 H152566 0.579 3.979 1.521 1541TIP3 H252567 0.552 3.892 1.403 1542TIP3 OH252568 1.209 4.047 2.567 1542TIP3 H152569 1.156 4.124 2.595 1542TIP3 H252570 1.271 4.092 2.507 1542TIP3 OH252571 0.836 4.139 1.854 1542TIP3 H152572 0.771 4.160 1.922 1542TIP3 H252573 0.902 4.088 1.904 1542TIP3 OH252574 0.789 3.985 2.733 1542TIP3 H152575 0.794 4.035 2.816 1542TIP3 H252576 0.747 4.050 2.678 1542TIP3 OH252577 -0.011 4.206 2.047 1542TIP3 H152578 -0.035 4.182 1.955 1542TIP3 H252579 0.065 4.148 2.063 1542TIP3 OH252580 0.046 4.063 2.388 1542TIP3 H152581 0.097 4.073 2.306 1542TIP3 H252582 0.072 4.142 2.440 1542TIP3 OH252583 0.715 4.076 1.617 1542TIP3 H152584 0.775 4.101 1.690 1542TIP3 H252585 0.761 4.120 1.541 1542TIP3 OH252586 -0.173 4.146 2.773 1542TIP3 H152587 -0.162 4.208 2.848 1542TIP3 H252588 -0.270 4.146 2.766 1542TIP3 OH252589 1.066 3.247 1.558 1542TIP3 H152590 0.979 3.256 1.600 1542TIP3 H252591 1.101 3.337 1.564 1542TIP3 OH252592 -0.129 4.091 1.801 1542TIP3 H152593 -0.141 4.167 1.740 1542TIP3 H252594 -0.185 4.023 1.761 1542TIP3 OH252595 -0.487 4.318 2.656 1542TIP3 H152596 -0.547 4.299 2.583 1542TIP3 H252597 -0.496 4.239 2.713 1543TIP3 OH252598 1.008 3.836 2.979 1543TIP3 H152599 0.965 3.871 2.900 1543TIP3 H252600 1.014 3.742 2.956 1543TIP3 OH252601 0.024 3.350 2.368 1543TIP3 H152602 -0.057 3.342 2.315 1543TIP3 H252603 -0.003 3.421 2.429 1543TIP3 OH252604 0.461 3.306 2.732 1543TIP3 H152605 0.514 3.254 2.795 1543TIP3 H252606 0.370 3.271 2.746 1543TIP3 OH252607 0.774 3.683 2.782 1543TIP3 H152608 0.716 3.665 2.859 1543TIP3 H252609 0.760 3.778 2.766 1543TIP3 OH252610 0.855 4.175 1.411 1543TIP3 H152611 0.849 4.159 1.315 1543TIP3 H252612 0.944 4.215 1.417 1543TIP3 OH252613 0.441 3.558 1.459 1543TIP3 H152614 0.391 3.543 1.541 1543TIP3 H252615 0.401 3.490 1.402 1543TIP3 OH252616 0.014 3.826 2.518 1543TIP3 H152617 -0.057 3.835 2.583 1543TIP3 H252618 0.015 3.914 2.473 1543TIP3 OH252619 0.004 3.836 1.996 1543TIP3 H152620 -0.091 3.826 1.980 1543TIP3 H252621 0.039 3.815 1.907 1543TIP3 OH252622 0.567 3.902 1.882 1543TIP3 H152623 0.518 3.973 1.837 1543TIP3 H252624 0.633 3.878 1.814 1543TIP3 OH252625 0.484 3.921 3.019 1543TIP3 H152626 0.433 3.843 3.049 1543TIP3 H252627 0.572 3.904 3.058 1544TIP3 OH252628 0.657 3.836 2.151 1544TIP3 H152629 0.626 3.883 2.071 1544TIP3 H252630 0.679 3.750 2.110 1544TIP3 OH252631 -0.249 3.841 2.691 1544TIP3 H152632 -0.234 3.877 2.779 1544TIP3 H252633 -0.286 3.754 2.712 1544TIP3 OH252634 0.084 3.605 1.350 1544TIP3 H152635 0.048 3.566 1.432 1544TIP3 H252636 0.006 3.615 1.295 1544TIP3 OH252637 -0.570 3.594 2.056 1544TIP3 H152638 -0.509 3.586 2.132 1544TIP3 H252639 -0.522 3.551 1.984 1544TIP3 OH252640 -0.411 3.635 1.630 1544TIP3 H152641 -0.358 3.682 1.562 1544TIP3 H252642 -0.482 3.698 1.645 1544TIP3 OH252643 0.284 3.608 2.109 1544TIP3 H152644 0.189 3.592 2.125 1544TIP3 H252645 0.324 3.570 2.189 1544TIP3 OH252646 -0.263 3.717 1.968 1544TIP3 H152647 -0.344 3.742 1.920 1544TIP3 H252648 -0.233 3.638 1.920 1544TIP3 OH252649 0.101 3.755 1.738 1544TIP3 H152650 0.198 3.758 1.738 1544TIP3 H252651 0.076 3.809 1.661 1544TIP3 OH252652 0.719 3.514 2.402 1544TIP3 H152653 0.654 3.513 2.475 1544TIP3 H252654 0.664 3.479 2.330 1544TIP3 OH252655 -0.055 3.877 1.514 1544TIP3 H152656 -0.112 3.844 1.443 1544TIP3 H252657 0.027 3.897 1.464 1545TIP3 OH252658 -0.167 4.317 2.978 1545TIP3 H152659 -0.108 4.362 3.042 1545TIP3 H252660 -0.246 4.305 3.035 1545TIP3 OH252661 0.400 3.877 2.308 1545TIP3 H152662 0.445 3.825 2.240 1545TIP3 H252663 0.368 3.806 2.368 1545TIP3 OH252664 -0.087 3.490 1.901 1545TIP3 H152665 -0.144 3.412 1.913 1545TIP3 H252666 -0.009 3.451 1.860 1545TIP3 OH252667 0.284 3.704 2.495 1545TIP3 H152668 0.199 3.749 2.510 1545TIP3 H252669 0.331 3.715 2.579 1545TIP3 OH252670 0.241 4.363 1.734 1545TIP3 H152671 0.213 4.306 1.660 1545TIP3 H252672 0.315 4.316 1.775 1545TIP3 OH252673 1.017 4.257 2.559 1545TIP3 H152674 1.079 4.299 2.497 1545TIP3 H252675 0.937 4.272 2.507 1545TIP3 OH252676 0.709 3.615 1.476 1545TIP3 H152677 0.611 3.614 1.469 1545TIP3 H252678 0.726 3.690 1.536 1545TIP3 OH252679 0.777 3.799 1.685 1545TIP3 H152680 0.866 3.781 1.721 1545TIP3 H252681 0.790 3.883 1.638 1545TIP3 OH252682 -0.157 4.254 2.272 1545TIP3 H152683 -0.104 4.240 2.191 1545TIP3 H252684 -0.162 4.164 2.308 1545TIP3 OH252685 -0.474 4.091 2.811 1545TIP3 H152686 -0.455 4.045 2.895 1545TIP3 H252687 -0.533 4.029 2.765 1546TIP3 OH252688 0.229 4.053 3.007 1546TIP3 H152689 0.189 4.020 2.925 1546TIP3 H252690 0.323 4.028 2.995 1546TIP3 OH252691 1.235 3.798 1.654 1546TIP3 H152692 1.181 3.778 1.574 1546TIP3 H252693 1.248 3.894 1.638 1546TIP3 OH252694 -0.363 4.094 1.458 1546TIP3 H152695 -0.304 4.155 1.505 1546TIP3 H252696 -0.448 4.111 1.502 1546TIP3 OH252697 -0.336 3.565 2.766 1546TIP3 H152698 -0.427 3.589 2.741 1546TIP3 H252699 -0.349 3.478 2.808 1546TIP3 OH252700 -0.186 -4.386 1.644 1546TIP3 H152701 -0.277 -4.352 1.655 1546TIP3 H252702 -0.140 -4.306 1.617 1546TIP3 OH252703 0.559 3.550 2.623 1546TIP3 H152704 0.622 3.573 2.693 1546TIP3 H252705 0.512 3.474 2.661 1546TIP3 OH252706 0.622 3.494 1.748 1546TIP3 H152707 0.643 3.543 1.667 1546TIP3 H252708 0.673 3.542 1.815 1546TIP3 OH252709 0.366 3.694 1.843 1546TIP3 H152710 0.445 3.749 1.857 1546TIP3 H252711 0.337 3.677 1.934 1546TIP3 OH252712 0.405 3.794 2.755 1546TIP3 H152713 0.421 3.851 2.833 1546TIP3 H252714 0.459 3.717 2.777 1546TIP3 OH252715 0.425 3.395 1.936 1546TIP3 H152716 0.410 3.464 2.003 1546TIP3 H252717 0.498 3.434 1.884 1547TIP3 OH252718 -0.003 3.494 1.589 1547TIP3 H152719 -0.000 3.569 1.650 1547TIP3 H252720 0.079 3.446 1.615 1547TIP3 OH252721 1.031 3.585 2.846 1547TIP3 H152722 0.936 3.596 2.832 1547TIP3 H252723 1.057 3.559 2.756 1547TIP3 OH252724 0.846 3.993 2.289 1547TIP3 H152725 0.798 3.936 2.226 1547TIP3 H252726 0.920 3.935 2.316 1547TIP3 OH252727 -0.350 3.800 1.411 1547TIP3 H152728 -0.336 3.895 1.427 1547TIP3 H252729 -0.433 3.799 1.362 1547TIP3 OH252730 -0.256 3.305 2.286 1547TIP3 H152731 -0.273 3.302 2.190 1547TIP3 H252732 -0.289 3.218 2.316 1547TIP3 OH252733 -0.408 4.312 3.099 1547TIP3 H152734 -0.421 4.216 3.109 1547TIP3 H252735 -0.494 4.342 3.066 1547TIP3 OH252736 0.186 4.329 3.044 1547TIP3 H152737 0.187 4.345 2.948 1547TIP3 H252738 0.221 4.238 3.049 1547TIP3 OH252739 0.783 -4.378 2.807 1547TIP3 H152740 0.864 -4.333 2.783 1547TIP3 H252741 0.721 -4.304 2.812 1547TIP3 OH252742 -0.347 4.025 3.065 1547TIP3 H152743 -0.269 3.967 3.059 1547TIP3 H252744 -0.348 4.044 3.161 1547TIP3 OH252745 0.111 4.160 1.572 1547TIP3 H152746 0.044 4.118 1.628 1547TIP3 H252747 0.125 4.094 1.503 1548TIP3 OH252748 0.036 3.941 2.809 1548TIP3 H152749 -0.032 4.009 2.828 1548TIP3 H252750 0.068 3.970 2.723 1548TIP3 OH252751 0.193 3.957 1.399 1548TIP3 H152752 0.189 3.970 1.302 1548TIP3 H252753 0.289 3.956 1.414 1548TIP3 OH252754 0.553 4.216 3.154 1548TIP3 H152755 0.642 4.193 3.128 1548TIP3 H252756 0.517 4.133 3.185 1548TIP3 OH252757 1.121 4.189 1.321 1548TIP3 H152758 1.114 4.183 1.224 1548TIP3 H252759 1.127 4.285 1.337 1548TIP3 OH252760 0.080 3.662 2.915 1548TIP3 H152761 0.087 3.597 2.843 1548TIP3 H252762 0.062 3.744 2.866 1548TIP3 OH252763 0.114 3.513 2.660 1548TIP3 H152764 0.164 3.559 2.591 1548TIP3 H252765 0.023 3.512 2.625 1548TIP3 OH252766 0.322 4.096 2.682 1548TIP3 H152767 0.328 4.024 2.619 1548TIP3 H252768 0.245 4.147 2.653 1548TIP3 OH252769 0.729 3.849 3.177 1548TIP3 H152770 0.746 3.755 3.194 1548TIP3 H252771 0.819 3.884 3.174 1548TIP3 OH252772 0.826 4.127 3.000 1548TIP3 H152773 0.802 4.203 2.942 1548TIP3 H252774 0.921 4.120 2.981 1548TIP3 OH252775 -0.105 3.853 3.088 1548TIP3 H152776 -0.155 3.769 3.094 1548TIP3 H252777 -0.020 3.822 3.053 1549TIP3 OH252778 0.186 3.244 2.696 1549TIP3 H152779 0.168 3.339 2.680 1549TIP3 H252780 0.116 3.201 2.642 1549TIP3 OH252781 0.313 3.702 3.072 1549TIP3 H152782 0.281 3.681 3.161 1549TIP3 H252783 0.233 3.681 3.020 1549TIP3 OH252784 0.566 3.606 2.960 1549TIP3 H152785 0.478 3.612 3.001 1549TIP3 H252786 0.612 3.543 3.019 1549TIP3 OH252787 0.750 3.454 3.132 1549TIP3 H152788 0.736 3.359 3.148 1549TIP3 H252789 0.733 3.494 3.219 1549TIP3 OH252790 -0.232 3.594 3.079 1549TIP3 H152791 -0.240 3.523 3.013 1549TIP3 H252792 -0.254 3.546 3.161 1549TIP3 OH252793 0.170 3.192 2.977 1549TIP3 H152794 0.230 3.115 2.983 1549TIP3 H252795 0.168 3.206 2.881 1549TIP3 OH252796 0.265 3.379 3.162 1549TIP3 H152797 0.235 3.319 3.090 1549TIP3 H252798 0.195 3.446 3.164 1549TIP3 OH252799 1.199 4.357 1.757 1549TIP3 H152800 1.295 4.367 1.747 1549TIP3 H252801 1.190 4.277 1.810 1549TIP3 OH252802 1.233 4.133 1.923 1549TIP3 H152803 1.161 4.087 1.970 1549TIP3 H252804 1.301 4.146 1.992 1549TIP3 OH252805 1.257 4.093 1.577 1549TIP3 H152806 1.196 4.117 1.506 1549TIP3 H252807 1.246 4.168 1.637 1550TIP3 OH252808 1.085 3.843 1.411 1550TIP3 H152809 1.105 3.906 1.340 1550TIP3 H252810 1.061 3.762 1.361 1550TIP3 OH252811 1.001 3.963 2.011 1550TIP3 H152812 1.008 3.867 1.998 1550TIP3 H252813 0.978 3.970 2.105 1550TIP3 OH252814 -0.507 4.181 2.385 1550TIP3 H152815 -0.485 4.195 2.291 1550TIP3 H252816 -0.419 4.172 2.425 1550TIP3 OH252817 1.098 4.165 2.926 1550TIP3 H152818 1.169 4.099 2.945 1550TIP3 H252819 1.146 4.244 2.896 1550TIP3 OH252820 1.243 3.965 3.033 1550TIP3 H152821 1.161 3.912 3.019 1550TIP3 H252822 1.310 3.895 3.041 1550TIP3 OH252823 1.030 3.579 1.330 1550TIP3 H152824 1.089 3.529 1.389 1550TIP3 H252825 0.951 3.524 1.323 1550TIP3 OH252826 1.013 3.709 1.829 1550TIP3 H152827 1.037 3.614 1.833 1550TIP3 H252828 1.093 3.745 1.786 1550TIP3 OH252829 1.032 3.785 2.364 1550TIP3 H152830 1.130 3.785 2.361 1550TIP3 H252831 1.018 3.773 2.459 1550TIP3 OH252832 1.041 3.844 2.660 1550TIP3 H152833 0.954 3.885 2.674 1550TIP3 H252834 1.094 3.920 2.628 1550TIP3 OH252835 -0.502 3.716 3.015 1550TIP3 H152836 -0.408 3.691 3.022 1550TIP3 H252837 -0.544 3.629 3.024 1551TIP3 OH252838 1.307 3.253 3.179 1551TIP3 H152839 1.349 3.183 3.125 1551TIP3 H252840 1.311 3.330 3.120 1551TIP3 OH252841 1.057 3.430 1.822 1551TIP3 H152842 1.071 3.395 1.912 1551TIP3 H252843 0.979 3.378 1.794 1551TIP3 OH252844 -0.423 3.547 2.299 1551TIP3 H152845 -0.378 3.461 2.304 1551TIP3 H252846 -0.354 3.607 2.332 1551TIP3 OH252847 -0.567 3.815 2.406 1551TIP3 H152848 -0.511 3.809 2.327 1551TIP3 H252849 -0.534 3.896 2.446 1551TIP3 OH252850 1.246 3.458 3.003 1551TIP3 H152851 1.158 3.499 3.009 1551TIP3 H252852 1.234 3.402 2.924 1551TIP3 OH252853 1.255 3.476 1.488 1551TIP3 H152854 1.286 3.395 1.444 1551TIP3 H252855 1.337 3.527 1.497 1551TIP3 OH252856 -0.519 3.451 1.810 1551TIP3 H152857 -0.614 3.452 1.787 1551TIP3 H252858 -0.479 3.509 1.742 1551TIP3 OH252859 -0.513 3.339 2.624 1551TIP3 H152860 -0.584 3.308 2.681 1551TIP3 H252861 -0.564 3.388 2.556 1551TIP3 OH252862 1.132 3.280 2.801 1551TIP3 H152863 1.051 3.298 2.751 1551TIP3 H252864 1.154 3.190 2.770 1551TIP3 OH252865 0.471 3.431 2.245 1551TIP3 H152866 0.405 3.361 2.262 1551TIP3 H252867 0.535 3.384 2.190 1552TIP3 OH252868 0.969 3.237 2.297 1552TIP3 H152869 1.046 3.276 2.253 1552TIP3 H252870 0.896 3.260 2.237 1552TIP3 OH252871 1.176 3.343 2.080 1552TIP3 H152872 1.248 3.299 2.031 1552TIP3 H252873 1.211 3.434 2.089 1552TIP3 OH252874 -0.290 3.300 2.005 1552TIP3 H152875 -0.377 3.288 1.960 1552TIP3 H252876 -0.249 3.213 1.989 1552TIP3 OH252877 -0.408 3.250 1.592 1552TIP3 H152878 -0.358 3.315 1.540 1552TIP3 H252879 -0.450 3.305 1.660 1552TIP3 OH252880 0.156 3.288 1.992 1552TIP3 H152881 0.250 3.311 1.976 1552TIP3 H252882 0.156 3.273 2.087 1552TIP3 OH252883 0.714 3.289 2.132 1552TIP3 H152884 0.743 3.271 2.042 1552TIP3 H252885 0.678 3.202 2.158 1552TIP3 OH252886 0.826 3.289 1.733 1552TIP3 H152887 0.743 3.336 1.715 1552TIP3 H252888 0.793 3.198 1.745 1552TIP3 OH252889 -0.238 3.432 1.436 1552TIP3 H152890 -0.178 3.376 1.384 1552TIP3 H252891 -0.178 3.465 1.505 1552TIP3 OH252892 0.271 3.451 1.697 1552TIP3 H152893 0.306 3.393 1.765 1552TIP3 H252894 0.292 3.538 1.735 1552TIP3 OH252895 -0.311 3.324 2.957 1552TIP3 H152896 -0.350 3.243 2.992 1552TIP3 H252897 -0.218 3.312 2.983 1553TIP3 OH252898 -0.072 3.263 3.129 1553TIP3 H152899 0.010 3.229 3.089 1553TIP3 H252900 -0.106 3.183 3.173 1553TIP3 OH252901 0.740 3.175 3.147 1553TIP3 H152902 0.743 3.132 3.235 1553TIP3 H252903 0.834 3.171 3.121 1553TIP3 OH252904 2.498 4.205 2.012 1553TIP3 H152905 2.467 4.296 2.007 1553TIP3 H252906 2.425 4.160 1.966 1553TIP3 OH252907 2.377 4.136 2.339 1553TIP3 H152908 2.381 4.082 2.419 1553TIP3 H252909 2.350 4.072 2.272 1553TIP3 OH252910 1.624 4.086 2.503 1553TIP3 H152911 1.617 4.008 2.561 1553TIP3 H252912 1.700 4.130 2.544 1553TIP3 OH252913 1.393 3.881 1.891 1553TIP3 H152914 1.355 3.969 1.901 1553TIP3 H252915 1.321 3.833 1.848 1553TIP3 OH252916 1.472 4.127 2.066 1553TIP3 H152917 1.481 4.056 2.132 1553TIP3 H252918 1.565 4.136 2.041 1553TIP3 OH252919 3.102 3.520 2.460 1553TIP3 H152920 3.124 3.585 2.528 1553TIP3 H252921 3.157 3.550 2.386 1553TIP3 OH252922 2.563 3.804 2.447 1553TIP3 H152923 2.574 3.707 2.449 1553TIP3 H252924 2.551 3.819 2.351 1553TIP3 OH252925 1.859 3.606 2.153 1553TIP3 H152926 1.872 3.691 2.106 1553TIP3 H252927 1.823 3.553 2.079 1554TIP3 OH252928 2.643 3.623 1.984 1554TIP3 H152929 2.702 3.580 2.050 1554TIP3 H252930 2.708 3.668 1.928 1554TIP3 OH252931 1.519 3.872 2.206 1554TIP3 H152932 1.589 3.830 2.259 1554TIP3 H252933 1.533 3.830 2.119 1554TIP3 OH252934 2.066 4.019 2.154 1554TIP3 H152935 2.134 3.959 2.192 1554TIP3 H252936 2.012 3.956 2.102 1554TIP3 OH252937 3.180 3.661 2.704 1554TIP3 H152938 3.118 3.731 2.677 1554TIP3 H252939 3.157 3.653 2.798 1554TIP3 OH252940 1.738 3.486 2.569 1554TIP3 H152941 1.697 3.534 2.496 1554TIP3 H252942 1.672 3.499 2.639 1554TIP3 OH252943 1.993 4.282 2.543 1554TIP3 H152944 1.917 4.341 2.553 1554TIP3 H252945 2.066 4.344 2.531 1554TIP3 OH252946 2.827 3.546 2.187 1554TIP3 H152947 2.786 3.486 2.250 1554TIP3 H252948 2.875 3.607 2.245 1554TIP3 OH252949 1.698 3.689 2.362 1554TIP3 H152950 1.763 3.746 2.408 1554TIP3 H252951 1.755 3.652 2.291 1554TIP3 OH252952 2.840 3.466 2.572 1554TIP3 H152953 2.762 3.501 2.524 1554TIP3 H252954 2.911 3.479 2.506 1554TIP3 OH252955 2.152 3.233 2.278 1554TIP3 H152956 2.129 3.138 2.272 1554TIP3 H252957 2.069 3.270 2.315 1555TIP3 OH252958 2.349 4.140 1.752 1555TIP3 H152959 2.286 4.189 1.696 1555TIP3 H252960 2.425 4.133 1.691 1555TIP3 OH252961 2.390 3.941 1.470 1555TIP3 H152962 2.463 3.979 1.522 1555TIP3 H252963 2.439 3.892 1.402 1555TIP3 OH252964 3.103 4.055 2.574 1555TIP3 H152965 3.037 4.127 2.588 1555TIP3 H252966 3.154 4.095 2.501 1555TIP3 OH252967 2.721 4.141 1.853 1555TIP3 H152968 2.655 4.163 1.921 1555TIP3 H252969 2.786 4.089 1.903 1555TIP3 OH252970 2.695 3.981 2.745 1555TIP3 H152971 2.696 4.059 2.802 1555TIP3 H252972 2.637 4.014 2.674 1555TIP3 OH252973 1.876 4.212 2.043 1555TIP3 H152974 1.853 4.181 1.954 1555TIP3 H252975 1.950 4.153 2.065 1555TIP3 OH252976 1.931 4.069 2.393 1555TIP3 H152977 1.986 4.073 2.312 1555TIP3 H252978 1.963 4.144 2.446 1555TIP3 OH252979 2.602 4.073 1.616 1555TIP3 H152980 2.659 4.102 1.691 1555TIP3 H252981 2.648 4.119 1.541 1555TIP3 OH252982 1.713 4.148 2.772 1555TIP3 H152983 1.722 4.211 2.848 1555TIP3 H252984 1.617 4.133 2.773 1555TIP3 OH252985 2.952 3.246 1.559 1555TIP3 H152986 2.864 3.255 1.599 1555TIP3 H252987 2.987 3.337 1.565 1556TIP3 OH252988 1.763 4.088 1.796 1556TIP3 H152989 1.746 4.166 1.739 1556TIP3 H252990 1.698 4.025 1.763 1556TIP3 OH252991 1.326 4.290 2.659 1556TIP3 H152992 1.365 4.326 2.578 1556TIP3 H252993 1.405 4.273 2.712 1556TIP3 OH252994 2.894 3.836 2.978 1556TIP3 H152995 2.841 3.875 2.907 1556TIP3 H252996 2.899 3.743 2.948 1556TIP3 OH252997 1.910 3.348 2.369 1556TIP3 H152998 1.828 3.340 2.317 1556TIP3 H252999 1.885 3.421 2.428 1556TIP3 OH253000 2.345 3.310 2.737 1556TIP3 H153001 2.396 3.250 2.794 1556TIP3 H253002 2.254 3.275 2.744 1556TIP3 OH253003 2.666 3.686 2.789 1556TIP3 H153004 2.599 3.673 2.859 1556TIP3 H253005 2.655 3.780 2.766 1556TIP3 OH253006 2.742 4.175 1.410 1556TIP3 H153007 2.735 4.160 1.314 1556TIP3 H253008 2.831 4.215 1.417 1556TIP3 OH253009 2.328 3.556 1.459 1556TIP3 H153010 2.277 3.544 1.541 1556TIP3 H253011 2.286 3.490 1.402 1556TIP3 OH253012 1.898 3.824 2.513 1556TIP3 H153013 1.832 3.837 2.584 1556TIP3 H253014 1.906 3.914 2.475 1556TIP3 OH253015 1.890 3.835 1.996 1556TIP3 H153016 1.794 3.828 1.980 1556TIP3 H253017 1.924 3.815 1.907 1557TIP3 OH253018 2.451 3.900 1.878 1557TIP3 H153019 2.404 3.975 1.837 1557TIP3 H253020 2.516 3.879 1.809 1557TIP3 OH253021 2.370 3.921 3.018 1557TIP3 H153022 2.319 3.845 3.051 1557TIP3 H253023 2.458 3.904 3.056 1557TIP3 OH253024 2.536 3.831 2.151 1557TIP3 H153025 2.507 3.885 2.075 1557TIP3 H253026 2.559 3.749 2.103 1557TIP3 OH253027 1.637 3.840 2.688 1557TIP3 H153028 1.651 3.879 2.775 1557TIP3 H253029 1.599 3.754 2.711 1557TIP3 OH253030 1.971 3.603 1.349 1557TIP3 H153031 1.934 3.567 1.433 1557TIP3 H253032 1.892 3.616 1.296 1557TIP3 OH253033 1.312 3.589 2.057 1557TIP3 H153034 1.375 3.589 2.132 1557TIP3 H253035 1.365 3.552 1.985 1557TIP3 OH253036 1.473 3.634 1.628 1557TIP3 H153037 1.528 3.681 1.562 1557TIP3 H253038 1.404 3.699 1.645 1557TIP3 OH253039 2.434 3.997 2.598 1557TIP3 H153040 2.486 3.931 2.547 1557TIP3 H253041 2.403 3.943 2.672 1557TIP3 OH253042 2.167 3.595 2.101 1557TIP3 H153043 2.072 3.591 2.121 1557TIP3 H253044 2.206 3.573 2.188 1557TIP3 OH253045 1.621 3.716 1.969 1557TIP3 H153046 1.541 3.744 1.921 1557TIP3 H253047 1.651 3.638 1.919 1558TIP3 OH253048 1.987 3.751 1.735 1558TIP3 H153049 2.083 3.759 1.739 1558TIP3 H253050 1.961 3.810 1.662 1558TIP3 OH253051 2.606 3.507 2.403 1558TIP3 H153052 2.540 3.508 2.476 1558TIP3 H253053 2.550 3.472 2.331 1558TIP3 OH253054 1.830 3.876 1.513 1558TIP3 H153055 1.774 3.844 1.441 1558TIP3 H253056 1.912 3.897 1.465 1558TIP3 OH253057 1.726 4.317 2.979 1558TIP3 H153058 1.780 4.366 3.043 1558TIP3 H253059 1.644 4.304 3.031 1558TIP3 OH253060 2.268 3.851 2.284 1558TIP3 H153061 2.340 3.806 2.237 1558TIP3 H253062 2.252 3.789 2.358 1558TIP3 OH253063 1.798 3.490 1.900 1558TIP3 H153064 1.742 3.411 1.914 1558TIP3 H253065 1.878 3.452 1.861 1558TIP3 OH253066 2.166 3.695 2.505 1558TIP3 H153067 2.086 3.751 2.507 1558TIP3 H253068 2.213 3.722 2.586 1558TIP3 OH253069 2.151 4.360 1.704 1558TIP3 H153070 2.095 4.297 1.655 1558TIP3 H253071 2.164 4.319 1.790 1558TIP3 OH253072 2.926 4.267 2.564 1558TIP3 H153073 2.951 4.312 2.482 1558TIP3 H253074 2.831 4.254 2.545 1558TIP3 OH253075 2.595 3.616 1.473 1558TIP3 H153076 2.497 3.613 1.469 1558TIP3 H253077 2.613 3.689 1.536 1559TIP3 OH253078 2.663 3.798 1.682 1559TIP3 H153079 2.752 3.782 1.719 1559TIP3 H253080 2.673 3.885 1.639 1559TIP3 OH253081 1.681 4.216 2.241 1559TIP3 H153082 1.765 4.236 2.194 1559TIP3 H253083 1.711 4.175 2.323 1559TIP3 OH253084 1.438 4.075 2.809 1559TIP3 H153085 1.433 4.036 2.898 1559TIP3 H253086 1.359 4.040 2.765 1559TIP3 OH253087 2.115 4.052 3.005 1559TIP3 H153088 2.078 4.027 2.919 1559TIP3 H253089 2.209 4.028 2.993 1559TIP3 OH253090 3.121 3.797 1.653 1559TIP3 H153091 3.066 3.778 1.574 1559TIP3 H253092 3.134 3.893 1.638 1559TIP3 OH253093 2.668 4.180 2.432 1559TIP3 H153094 2.578 4.183 2.398 1559TIP3 H253095 2.716 4.135 2.361 1559TIP3 OH253096 1.523 4.095 1.457 1559TIP3 H153097 1.583 4.154 1.505 1559TIP3 H253098 1.438 4.113 1.503 1559TIP3 OH253099 1.548 3.566 2.769 1559TIP3 H153100 1.458 3.590 2.740 1559TIP3 H253101 1.534 3.478 2.807 1559TIP3 OH253102 1.699 -4.388 1.640 1559TIP3 H153103 1.610 -4.352 1.658 1559TIP3 H253104 1.746 -4.306 1.620 1559TIP3 OH253105 2.446 3.550 2.622 1559TIP3 H153106 2.509 3.572 2.693 1559TIP3 H253107 2.395 3.476 2.661 1560TIP3 OH253108 2.511 3.492 1.748 1560TIP3 H153109 2.527 3.545 1.668 1560TIP3 H253110 2.556 3.544 1.816 1560TIP3 OH253111 2.254 3.691 1.843 1560TIP3 H153112 2.329 3.752 1.858 1560TIP3 H253113 2.222 3.676 1.934 1560TIP3 OH253114 2.292 3.793 2.759 1560TIP3 H153115 2.297 3.841 2.843 1560TIP3 H253116 2.340 3.711 2.779 1560TIP3 OH253117 2.312 3.394 1.938 1560TIP3 H153118 2.290 3.465 2.001 1560TIP3 H253119 2.383 3.435 1.885 1560TIP3 OH253120 1.883 3.494 1.588 1560TIP3 H153121 1.885 3.570 1.649 1560TIP3 H253122 1.964 3.446 1.615 1560TIP3 OH253123 2.917 3.582 2.843 1560TIP3 H153124 2.821 3.597 2.829 1560TIP3 H253125 2.941 3.562 2.751 1560TIP3 OH253126 2.770 3.966 2.242 1560TIP3 H153127 2.685 3.924 2.222 1560TIP3 H253128 2.816 3.897 2.295 1560TIP3 OH253129 1.536 3.800 1.410 1560TIP3 H153130 1.551 3.894 1.427 1560TIP3 H253131 1.452 3.800 1.363 1560TIP3 OH253132 1.630 3.305 2.286 1560TIP3 H153133 1.613 3.302 2.190 1560TIP3 H253134 1.597 3.217 2.316 1560TIP3 OH253135 1.481 4.307 3.089 1560TIP3 H153136 1.460 4.212 3.097 1560TIP3 H253137 1.397 4.350 3.072 1561TIP3 OH253138 2.072 4.330 3.048 1561TIP3 H153139 2.075 4.349 2.952 1561TIP3 H253140 2.104 4.238 3.050 1561TIP3 OH253141 2.671 -4.374 2.822 1561TIP3 H153142 2.750 -4.332 2.784 1561TIP3 H253143 2.601 -4.314 2.793 1561TIP3 OH253144 1.538 4.024 3.070 1561TIP3 H153145 1.616 3.966 3.061 1561TIP3 H253146 1.540 4.044 3.165 1561TIP3 OH253147 1.995 4.161 1.575 1561TIP3 H153148 1.928 4.118 1.630 1561TIP3 H253149 2.010 4.094 1.505 1561TIP3 OH253150 1.913 3.935 2.808 1561TIP3 H153151 1.852 4.011 2.820 1561TIP3 H253152 1.971 3.968 2.737 1561TIP3 OH253153 2.078 3.957 1.398 1561TIP3 H153154 2.075 3.971 1.302 1561TIP3 H253155 2.174 3.957 1.415 1561TIP3 OH253156 2.441 4.218 3.160 1561TIP3 H153157 2.527 4.193 3.122 1561TIP3 H253158 2.403 4.133 3.182 1561TIP3 OH253159 3.011 4.189 1.320 1561TIP3 H153160 2.997 4.184 1.224 1561TIP3 H253161 3.010 4.285 1.339 1561TIP3 OH253162 1.969 3.664 2.915 1561TIP3 H153163 1.972 3.598 2.844 1561TIP3 H253164 1.946 3.745 2.865 1561TIP3 OH253165 2.000 3.511 2.661 1561TIP3 H153166 2.050 3.562 2.595 1561TIP3 H253167 1.908 3.513 2.624 1562TIP3 OH253168 2.151 4.069 2.690 1562TIP3 H153169 2.234 4.056 2.642 1562TIP3 H253170 2.118 4.152 2.653 1562TIP3 OH253171 2.614 3.851 3.174 1562TIP3 H153172 2.632 3.759 3.198 1562TIP3 H253173 2.703 3.888 3.173 1562TIP3 OH253174 2.710 4.138 3.015 1562TIP3 H153175 2.685 4.209 2.951 1562TIP3 H253176 2.800 4.117 2.984 1562TIP3 OH253177 1.783 3.850 3.095 1562TIP3 H153178 1.732 3.768 3.094 1562TIP3 H253179 1.864 3.823 3.049 1562TIP3 OH253180 2.073 3.244 2.695 1562TIP3 H153181 2.052 3.339 2.678 1562TIP3 H253182 2.005 3.199 2.642 1562TIP3 OH253183 2.200 3.700 3.073 1562TIP3 H153184 2.161 3.681 3.161 1562TIP3 H253185 2.121 3.682 3.018 1562TIP3 OH253186 2.451 3.608 2.962 1562TIP3 H153187 2.360 3.617 2.996 1562TIP3 H253188 2.488 3.543 3.022 1562TIP3 OH253189 2.654 3.426 3.153 1562TIP3 H153190 2.577 3.369 3.164 1562TIP3 H253191 2.631 3.500 3.215 1562TIP3 OH253192 1.655 3.594 3.079 1562TIP3 H153193 1.645 3.524 3.012 1562TIP3 H253194 1.632 3.546 3.160 1562TIP3 OH253195 2.058 3.193 2.977 1562TIP3 H153196 2.116 3.115 2.981 1562TIP3 H253197 2.052 3.206 2.881 1563TIP3 OH253198 2.154 3.381 3.160 1563TIP3 H153199 2.123 3.319 3.091 1563TIP3 H253200 2.082 3.445 3.164 1563TIP3 OH253201 3.090 4.364 1.762 1563TIP3 H153202 3.185 4.360 1.744 1563TIP3 H253203 3.072 4.279 1.806 1563TIP3 OH253204 3.126 4.132 1.924 1563TIP3 H153205 3.049 4.088 1.964 1563TIP3 H253206 3.185 4.148 2.000 1563TIP3 OH253207 3.144 4.094 1.576 1563TIP3 H153208 3.081 4.115 1.505 1563TIP3 H253209 3.130 4.167 1.637 1563TIP3 OH253210 2.973 3.842 1.410 1563TIP3 H153211 2.991 3.906 1.340 1563TIP3 H253212 2.947 3.762 1.361 1563TIP3 OH253213 2.901 3.965 2.000 1563TIP3 H153214 2.897 3.869 1.985 1563TIP3 H253215 2.864 3.973 2.090 1563TIP3 OH253216 1.389 4.193 2.385 1563TIP3 H153217 1.408 4.197 2.290 1563TIP3 H253218 1.475 4.166 2.421 1563TIP3 OH253219 2.986 4.161 2.922 1563TIP3 H153220 3.059 4.101 2.949 1563TIP3 H253221 3.030 4.244 2.897 1563TIP3 OH253222 3.129 3.963 3.037 1563TIP3 H153223 3.048 3.911 3.018 1563TIP3 H253224 3.197 3.893 3.036 1563TIP3 OH253225 2.916 3.578 1.329 1563TIP3 H153226 2.973 3.528 1.390 1563TIP3 H253227 2.836 3.525 1.322 1564TIP3 OH253228 2.899 3.706 1.827 1564TIP3 H153229 2.923 3.611 1.830 1564TIP3 H253230 2.979 3.742 1.784 1564TIP3 OH253231 2.921 3.764 2.368 1564TIP3 H153232 3.017 3.779 2.366 1564TIP3 H253233 2.904 3.770 2.464 1564TIP3 OH253234 2.940 3.837 2.652 1564TIP3 H153235 2.852 3.873 2.675 1564TIP3 H253236 2.988 3.918 2.627 1564TIP3 OH253237 1.385 3.717 3.020 1564TIP3 H153238 1.478 3.690 3.019 1564TIP3 H253239 1.340 3.630 3.024 1564TIP3 OH253240 3.164 3.236 3.166 1564TIP3 H153241 3.220 3.176 3.112 1564TIP3 H253242 3.172 3.319 3.115 1564TIP3 OH253243 2.945 3.427 1.822 1564TIP3 H153244 2.954 3.394 1.913 1564TIP3 H253245 2.865 3.378 1.792 1564TIP3 OH253246 1.461 3.546 2.300 1564TIP3 H153247 1.509 3.461 2.305 1564TIP3 H253248 1.530 3.607 2.332 1564TIP3 OH253249 1.317 3.813 2.401 1564TIP3 H153250 1.378 3.812 2.326 1564TIP3 H253251 1.348 3.892 2.448 1564TIP3 OH253252 3.137 3.463 3.004 1564TIP3 H153253 3.048 3.501 3.013 1564TIP3 H253254 3.119 3.400 2.931 1564TIP3 OH253255 3.142 3.474 1.491 1564TIP3 H153256 3.171 3.395 1.443 1564TIP3 H253257 3.222 3.528 1.494 1565TIP3 OH253258 1.367 3.448 1.807 1565TIP3 H153259 1.272 3.454 1.786 1565TIP3 H253260 1.407 3.509 1.742 1565TIP3 OH253261 1.371 3.342 2.625 1565TIP3 H153262 1.301 3.309 2.681 1565TIP3 H253263 1.321 3.387 2.555 1565TIP3 OH253264 3.011 3.268 2.829 1565TIP3 H153265 2.930 3.294 2.783 1565TIP3 H253266 3.032 3.182 2.786 1565TIP3 OH253267 2.361 3.429 2.250 1565TIP3 H153268 2.291 3.362 2.264 1565TIP3 H253269 2.418 3.384 2.187 1565TIP3 OH253270 2.855 3.235 2.296 1565TIP3 H153271 2.930 3.277 2.251 1565TIP3 H253272 2.780 3.259 2.239 1565TIP3 OH253273 3.064 3.341 2.083 1565TIP3 H153274 3.134 3.300 2.029 1565TIP3 H253275 3.095 3.434 2.090 1565TIP3 OH253276 1.595 3.300 2.005 1565TIP3 H153277 1.509 3.288 1.960 1565TIP3 H253278 1.637 3.213 1.989 1565TIP3 OH253279 1.477 3.250 1.592 1565TIP3 H153280 1.528 3.316 1.540 1565TIP3 H253281 1.436 3.305 1.661 1565TIP3 OH253282 2.042 3.286 1.991 1565TIP3 H153283 2.135 3.312 1.978 1565TIP3 H253284 2.039 3.274 2.087 1565TIP3 OH253285 2.604 3.287 2.134 1565TIP3 H153286 2.627 3.271 2.042 1565TIP3 H253287 2.562 3.202 2.158 1566TIP3 OH253288 2.713 3.288 1.731 1566TIP3 H153289 2.631 3.339 1.717 1566TIP3 H253290 2.678 3.198 1.745 1566TIP3 OH253291 1.647 3.432 1.435 1566TIP3 H153292 1.708 3.376 1.384 1566TIP3 H253293 1.707 3.465 1.505 1566TIP3 OH253294 2.157 3.451 1.696 1566TIP3 H153295 2.191 3.393 1.766 1566TIP3 H253296 2.177 3.538 1.735 1566TIP3 OH253297 1.574 3.325 2.958 1566TIP3 H153298 1.535 3.243 2.992 1566TIP3 H253299 1.667 3.312 2.981 1566TIP3 OH253300 1.816 3.264 3.132 1566TIP3 H153301 1.896 3.228 3.090 1566TIP3 H253302 1.778 3.184 3.172 1566TIP3 OH253303 2.708 3.147 3.145 1566TIP3 H153304 2.644 3.142 3.219 1566TIP3 H253305 2.703 3.239 3.115 1566TIP3 OH253306 4.195 4.093 2.349 1566TIP3 H153307 4.266 4.120 2.410 1566TIP3 H253308 4.238 4.094 2.264 1566TIP3 OH253309 3.509 4.083 2.502 1566TIP3 H153310 3.507 4.009 2.566 1566TIP3 H253311 3.584 4.134 2.536 1566TIP3 OH253312 3.279 3.884 1.893 1566TIP3 H153313 3.237 3.971 1.901 1566TIP3 H253314 3.209 3.832 1.852 1566TIP3 OH253315 3.368 4.126 2.081 1566TIP3 H153316 3.375 4.049 2.141 1566TIP3 H253317 3.452 4.119 2.035 1567TIP3 OH253318 3.739 3.605 2.160 1567TIP3 H153319 3.756 3.690 2.114 1567TIP3 H253320 3.708 3.552 2.084 1567TIP3 OH253321 3.422 3.869 2.210 1567TIP3 H153322 3.480 3.815 2.264 1567TIP3 H253323 3.431 3.826 2.123 1567TIP3 OH253324 3.954 4.014 2.152 1567TIP3 H153325 4.023 3.957 2.193 1567TIP3 H253326 3.901 3.947 2.104 1567TIP3 OH253327 3.893 4.266 2.548 1567TIP3 H153328 3.816 4.323 2.557 1567TIP3 H253329 3.964 4.333 2.547 1567TIP3 OH253330 3.588 3.660 2.385 1567TIP3 H153331 3.633 3.743 2.410 1567TIP3 H253332 3.634 3.636 2.301 1567TIP3 OH253333 4.005 3.247 2.289 1567TIP3 H153334 4.005 3.149 2.287 1567TIP3 H253335 3.927 3.263 2.343 1567TIP3 OH253336 4.268 4.123 1.745 1567TIP3 H153337 4.198 4.189 1.727 1567TIP3 H253338 4.327 4.142 1.672 1567TIP3 OH253339 4.286 3.954 1.477 1567TIP3 H153340 4.374 3.961 1.516 1567TIP3 H253341 4.297 3.895 1.402 1567TIP3 OH253342 3.759 4.204 2.047 1567TIP3 H153343 3.741 4.178 1.956 1567TIP3 H253344 3.840 4.154 2.067 1567TIP3 OH253345 3.809 4.073 2.382 1567TIP3 H153346 3.874 4.074 2.309 1567TIP3 H253347 3.846 4.142 2.441 1568TIP3 OH253348 3.596 4.147 2.773 1568TIP3 H153349 3.610 4.211 2.846 1568TIP3 H253350 3.499 4.142 2.772 1568TIP3 OH253351 3.647 4.088 1.796 1568TIP3 H153352 3.631 4.167 1.740 1568TIP3 H253353 3.583 4.025 1.761 1568TIP3 OH253354 3.244 4.311 2.675 1568TIP3 H153355 3.244 4.294 2.579 1568TIP3 H253356 3.276 4.226 2.711 1568TIP3 OH253357 4.231 3.284 2.793 1568TIP3 H153358 4.249 3.214 2.857 1568TIP3 H253359 4.139 3.263 2.767 1568TIP3 OH253360 4.234 3.561 1.467 1568TIP3 H153361 4.170 3.548 1.537 1568TIP3 H253362 4.202 3.498 1.401 1568TIP3 OH253363 3.764 3.824 2.511 1568TIP3 H153364 3.720 3.858 2.592 1568TIP3 H253365 3.791 3.909 2.469 1568TIP3 OH253366 3.775 3.831 1.998 1568TIP3 H153367 3.679 3.826 1.981 1568TIP3 H253368 3.810 3.817 1.908 1568TIP3 OH253369 4.270 3.891 1.949 1568TIP3 H153370 4.262 3.983 1.915 1568TIP3 H253371 4.364 3.883 1.969 1568TIP3 OH253372 3.521 3.838 2.686 1568TIP3 H153373 3.538 3.880 2.771 1568TIP3 H253374 3.478 3.755 2.713 1568TIP3 OH253375 3.863 3.605 1.351 1568TIP3 H153376 3.820 3.567 1.430 1568TIP3 H253377 3.788 3.621 1.293 1569TIP3 OH253378 3.201 3.593 2.059 1569TIP3 H153379 3.264 3.579 2.133 1569TIP3 H253380 3.247 3.553 1.983 1569TIP3 OH253381 3.361 3.635 1.630 1569TIP3 H153382 3.413 3.682 1.561 1569TIP3 H253383 3.289 3.698 1.645 1569TIP3 OH253384 4.313 3.984 2.605 1569TIP3 H153385 4.374 3.915 2.572 1569TIP3 H253386 4.270 3.933 2.676 1569TIP3 OH253387 4.049 3.574 2.102 1569TIP3 H153388 3.955 3.586 2.123 1569TIP3 H253389 4.090 3.601 2.186 1569TIP3 OH253390 3.507 3.717 1.970 1569TIP3 H153391 3.426 3.744 1.923 1569TIP3 H253392 3.535 3.638 1.920 1569TIP3 OH253393 3.874 3.747 1.732 1569TIP3 H153394 3.969 3.765 1.738 1569TIP3 H253395 3.843 3.808 1.662 1569TIP3 OH253396 3.722 3.876 1.513 1569TIP3 H153397 3.663 3.847 1.441 1569TIP3 H253398 3.803 3.893 1.464 1569TIP3 OH253399 3.608 4.315 2.980 1569TIP3 H153400 3.669 4.361 3.040 1569TIP3 H253401 3.530 4.305 3.038 1569TIP3 OH253402 4.127 3.798 2.267 1569TIP3 H153403 4.205 3.790 2.210 1569TIP3 H253404 4.172 3.802 2.354 1569TIP3 OH253405 3.684 3.487 1.905 1569TIP3 H153406 3.627 3.409 1.916 1569TIP3 H253407 3.760 3.451 1.857 1570TIP3 OH253408 4.015 3.653 2.552 1570TIP3 H153409 3.977 3.729 2.506 1570TIP3 H253410 4.094 3.694 2.591 1570TIP3 OH253411 4.072 4.327 1.709 1570TIP3 H153412 3.997 4.289 1.658 1570TIP3 H253413 4.039 4.325 1.800 1570TIP3 OH253414 3.595 4.239 2.258 1570TIP3 H153415 3.663 4.237 2.187 1570TIP3 H253416 3.622 4.163 2.311 1570TIP3 OH253417 3.311 4.080 2.801 1570TIP3 H153418 3.319 4.042 2.891 1570TIP3 H253419 3.236 4.031 2.763 1570TIP3 OH253420 4.000 4.015 3.011 1570TIP3 H153421 3.974 4.021 2.918 1570TIP3 H253422 4.090 4.054 3.005 1570TIP3 OH253423 3.409 4.093 1.458 1570TIP3 H153424 3.467 4.155 1.505 1570TIP3 H253425 3.323 4.111 1.502 1570TIP3 OH253426 3.461 3.552 2.739 1570TIP3 H153427 3.370 3.580 2.719 1570TIP3 H253428 3.442 3.471 2.791 1570TIP3 OH253429 3.586 -4.386 1.644 1570TIP3 H153430 3.494 -4.353 1.655 1570TIP3 H253431 3.630 -4.305 1.615 1570TIP3 OH253432 4.323 3.592 2.671 1570TIP3 H153433 4.395 3.534 2.696 1570TIP3 H253434 4.267 3.534 2.619 1570TIP3 OH253435 4.142 3.680 1.842 1570TIP3 H153436 4.200 3.754 1.871 1570TIP3 H253437 4.103 3.659 1.929 1571TIP3 OH253438 4.176 3.796 2.779 1571TIP3 H153439 4.194 3.830 2.868 1571TIP3 H253440 4.244 3.726 2.771 1571TIP3 OH253441 4.195 3.388 1.964 1571TIP3 H153442 4.166 3.469 2.011 1571TIP3 H253443 4.272 3.421 1.913 1571TIP3 OH253444 3.767 3.494 1.589 1571TIP3 H153445 3.772 3.573 1.646 1571TIP3 H253446 3.849 3.447 1.612 1571TIP3 OH253447 3.421 3.800 1.412 1571TIP3 H153448 3.435 3.895 1.427 1571TIP3 H253449 3.339 3.799 1.361 1571TIP3 OH253450 3.560 3.309 2.309 1571TIP3 H153451 3.549 3.318 2.213 1571TIP3 H253452 3.512 3.226 2.327 1571TIP3 OH253453 3.364 4.307 3.097 1571TIP3 H153454 3.345 4.211 3.094 1571TIP3 H253455 3.284 4.348 3.061 1571TIP3 OH253456 3.948 4.324 3.049 1571TIP3 H153457 3.957 4.344 2.954 1571TIP3 H253458 4.015 4.253 3.058 1571TIP3 OH253459 3.424 4.025 3.064 1571TIP3 H153460 3.496 3.961 3.058 1571TIP3 H253461 3.424 4.046 3.159 1571TIP3 OH253462 3.877 4.163 1.580 1571TIP3 H153463 3.811 4.114 1.630 1571TIP3 H253464 3.899 4.100 1.509 1571TIP3 OH253465 3.793 3.928 2.794 1571TIP3 H153466 3.743 4.008 2.819 1571TIP3 H253467 3.863 3.967 2.738 1572TIP3 OH253468 3.977 3.955 1.401 1572TIP3 H153469 3.971 3.967 1.304 1572TIP3 H253470 4.072 3.970 1.416 1572TIP3 OH253471 3.833 3.640 2.862 1572TIP3 H153472 3.912 3.608 2.818 1572TIP3 H253473 3.839 3.737 2.849 1572TIP3 OH253474 4.037 4.051 2.670 1572TIP3 H153475 4.126 4.045 2.629 1572TIP3 H253476 4.016 4.144 2.652 1572TIP3 OH253477 3.682 3.834 3.104 1572TIP3 H153478 3.625 3.757 3.085 1572TIP3 H253479 3.754 3.823 3.040 1572TIP3 OH253480 3.950 3.283 2.711 1572TIP3 H153481 3.950 3.370 2.673 1572TIP3 H253482 3.894 3.232 2.648 1572TIP3 OH253483 4.112 3.704 3.077 1572TIP3 H153484 4.080 3.674 3.163 1572TIP3 H253485 4.037 3.690 3.020 1572TIP3 OH253486 3.531 3.594 3.069 1572TIP3 H153487 3.524 3.516 3.010 1572TIP3 H253488 3.513 3.554 3.156 1572TIP3 OH253489 3.970 3.201 3.013 1572TIP3 H153490 4.040 3.133 3.001 1572TIP3 H253491 3.962 3.232 2.921 1572TIP3 OH253492 3.273 4.188 2.396 1572TIP3 H153493 3.281 4.203 2.301 1572TIP3 H253494 3.364 4.161 2.421 1572TIP3 OH253495 3.279 3.717 3.008 1572TIP3 H153496 3.371 3.688 3.023 1572TIP3 H253497 3.232 3.632 3.016 1573TIP3 OH253498 3.353 3.530 2.292 1573TIP3 H153499 3.402 3.447 2.302 1573TIP3 H253500 3.411 3.591 2.339 1573TIP3 OH253501 3.209 3.811 2.403 1573TIP3 H153502 3.262 3.816 2.321 1573TIP3 H253503 3.236 3.892 2.448 1573TIP3 OH253504 3.252 3.452 1.812 1573TIP3 H153505 3.158 3.452 1.788 1573TIP3 H253506 3.292 3.509 1.743 1573TIP3 OH253507 3.243 3.329 2.631 1573TIP3 H153508 3.169 3.303 2.688 1573TIP3 H253509 3.197 3.384 2.565 1573TIP3 OH253510 4.260 3.378 2.264 1573TIP3 H153511 4.167 3.353 2.258 1573TIP3 H253512 4.291 3.367 2.173 1573TIP3 OH253513 3.483 3.302 2.018 1573TIP3 H153514 3.397 3.295 1.973 1573TIP3 H253515 3.521 3.214 2.000 1573TIP3 OH253516 3.365 3.249 1.593 1573TIP3 H153517 3.413 3.315 1.540 1573TIP3 H253518 3.320 3.304 1.659 1573TIP3 OH253519 3.933 3.283 1.992 1573TIP3 H153520 4.026 3.313 1.982 1573TIP3 H253521 3.928 3.274 2.088 1573TIP3 OH253522 3.532 3.431 1.436 1573TIP3 H153523 3.593 3.377 1.382 1573TIP3 H253524 3.592 3.465 1.504 1573TIP3 OH253525 4.068 3.452 1.692 1573TIP3 H153526 4.065 3.390 1.767 1573TIP3 H253527 4.060 3.538 1.736 1574TIP3 OH253528 3.461 3.330 2.961 1574TIP3 H153529 3.417 3.248 2.988 1574TIP3 H253530 3.554 3.308 2.973 1574TIP3 OH253531 3.719 3.255 3.155 1574TIP3 H153532 3.780 3.226 3.085 1574TIP3 H253533 3.659 3.178 3.164 1574TIP3 OH253534 -3.200 -3.411 3.983 1574TIP3 H153535 -3.173 -3.324 4.015 1574TIP3 H253536 -3.242 -3.389 3.898 1574TIP3 OH253537 -3.279 -3.426 4.259 1574TIP3 H153538 -3.279 -3.506 4.315 1574TIP3 H253539 -3.274 -3.463 4.169 1574TIP3 OH253540 -2.925 -3.153 4.036 1574TIP3 H153541 -2.960 -3.220 4.098 1574TIP3 H253542 -2.878 -3.099 4.102 1574TIP3 OH253543 -3.952 -3.005 4.244 1574TIP3 H153544 -3.990 -3.092 4.224 1574TIP3 H253545 -3.858 -3.029 4.255 1574TIP3 OH253546 -4.187 -3.570 3.683 1574TIP3 H153547 -4.216 -3.513 3.757 1574TIP3 H253548 -4.215 -3.656 3.713 1574TIP3 OH253549 -4.198 -3.442 3.936 1574TIP3 H153550 -4.195 -3.479 4.025 1574TIP3 H253551 -4.118 -3.389 3.934 1574TIP3 OH253552 -3.213 -2.613 4.110 1574TIP3 H153553 -3.148 -2.678 4.079 1574TIP3 H253554 -3.233 -2.643 4.200 1574TIP3 OH253555 -3.477 -3.202 4.275 1574TIP3 H153556 -3.432 -3.273 4.226 1574TIP3 H253557 -3.398 -3.167 4.321 1575TIP3 OH253558 -3.118 -3.724 4.321 1575TIP3 H153559 -3.077 -3.809 4.344 1575TIP3 H253560 -3.112 -3.722 4.224 1575TIP3 OH253561 -3.811 -3.940 4.041 1575TIP3 H153562 -3.789 -3.856 3.998 1575TIP3 H253563 -3.839 -3.993 3.964 1575TIP3 OH253564 -3.013 -3.917 3.874 1575TIP3 H153565 -2.955 -3.964 3.939 1575TIP3 H253566 -2.946 -3.877 3.816 1575TIP3 OH253567 -4.117 -3.673 4.109 1575TIP3 H153568 -4.075 -3.737 4.167 1575TIP3 H253569 -4.110 -3.717 4.023 1575TIP3 OH253570 -3.603 -3.531 4.056 1575TIP3 H153571 -3.526 -3.584 4.082 1575TIP3 H253572 -3.647 -3.591 3.992 1575TIP3 OH253573 -3.172 -3.080 3.796 1575TIP3 H153574 -3.200 -3.109 3.709 1575TIP3 H253575 -3.219 -2.997 3.809 1575TIP3 OH253576 -2.829 -4.012 4.072 1575TIP3 H153577 -2.864 -4.066 4.144 1575TIP3 H253578 -2.777 -3.949 4.124 1575TIP3 OH253579 -3.878 -3.848 4.297 1575TIP3 H153580 -3.903 -3.756 4.281 1575TIP3 H253581 -3.887 -3.890 4.209 1575TIP3 OH253582 -4.182 -3.118 3.628 1575TIP3 H153583 -4.265 -3.102 3.578 1575TIP3 H253584 -4.191 -3.058 3.704 1575TIP3 OH253585 -2.823 -3.058 4.264 1575TIP3 H153586 -2.890 -3.058 4.335 1575TIP3 H253587 -2.756 -2.999 4.300 1576TIP3 OH253588 -3.518 4.379 4.169 1576TIP3 H153589 -3.507 4.287 4.194 1576TIP3 H253590 -3.589 4.410 4.228 1576TIP3 OH253591 -3.024 -2.777 3.965 1576TIP3 H153592 -2.973 -2.855 3.934 1576TIP3 H253593 -2.958 -2.707 3.951 1576TIP3 OH253594 -2.873 -2.987 3.824 1576TIP3 H153595 -2.918 -3.034 3.752 1576TIP3 H253596 -2.884 -3.052 3.897 1576TIP3 OH253597 -3.299 -3.406 3.639 1576TIP3 H153598 -3.365 -3.358 3.586 1576TIP3 H253599 -3.224 -3.410 3.577 1576TIP3 OH253600 -3.267 -3.594 3.348 1576TIP3 H153601 -3.196 -3.564 3.407 1576TIP3 H253602 -3.218 -3.654 3.289 1576TIP3 OH253603 -2.945 -3.416 3.749 1576TIP3 H153604 -3.005 -3.389 3.820 1576TIP3 H253605 -2.882 -3.471 3.798 1576TIP3 OH253606 -3.776 -3.332 3.921 1576TIP3 H153607 -3.818 -3.378 3.846 1576TIP3 H253608 -3.723 -3.402 3.962 1576TIP3 OH253609 -3.674 -3.010 4.154 1576TIP3 H153610 -3.663 -3.059 4.073 1576TIP3 H253611 -3.598 -3.038 4.206 1576TIP3 OH253612 -3.766 -3.450 4.270 1576TIP3 H153613 -3.698 -3.467 4.202 1576TIP3 H253614 -3.712 -3.429 4.348 1576TIP3 OH253615 -3.051 -3.468 3.495 1576TIP3 H153616 -3.001 -3.443 3.576 1576TIP3 H253617 -3.000 -3.419 3.426 1577TIP3 OH253618 -3.304 -2.800 3.830 1577TIP3 H153619 -3.253 -2.795 3.913 1577TIP3 H253620 -3.369 -2.729 3.841 1577TIP3 OH253621 -2.730 -4.321 3.415 1577TIP3 H153622 -2.773 -4.324 3.502 1577TIP3 H253623 -2.651 -4.270 3.438 1577TIP3 OH253624 -3.893 -3.464 3.678 1577TIP3 H153625 -3.919 -3.388 3.624 1577TIP3 H253626 -3.968 -3.524 3.664 1577TIP3 OH253627 -2.565 -2.882 3.295 1577TIP3 H153628 -2.548 -2.788 3.319 1577TIP3 H253629 -2.479 -2.923 3.317 1577TIP3 OH253630 -4.286 -2.899 4.214 1577TIP3 H153631 -4.210 -2.950 4.245 1577TIP3 H253632 -4.308 -2.852 4.295 1577TIP3 OH253633 -3.373 -2.514 3.630 1577TIP3 H153634 -3.282 -2.526 3.599 1577TIP3 H253635 -3.356 -2.463 3.711 1577TIP3 OH253636 -3.974 -2.628 3.861 1577TIP3 H153637 -3.950 -2.668 3.948 1577TIP3 H253638 -4.055 -2.678 3.842 1577TIP3 OH253639 -3.060 -2.617 3.419 1577TIP3 H153640 -3.002 -2.668 3.359 1577TIP3 H253641 -3.029 -2.650 3.504 1577TIP3 OH253642 -3.127 -2.611 3.734 1577TIP3 H153643 -3.206 -2.667 3.736 1577TIP3 H253644 -3.061 -2.678 3.759 1577TIP3 OH253645 -3.773 -4.211 4.298 1577TIP3 H153646 -3.844 -4.212 4.232 1577TIP3 H253647 -3.749 -4.117 4.306 1578TIP3 OH253648 -2.895 -3.362 3.296 1578TIP3 H153649 -2.914 -3.379 3.201 1578TIP3 H253650 -2.801 -3.337 3.290 1578TIP3 OH253651 -3.329 -3.993 3.341 1578TIP3 H153652 -3.382 -4.005 3.422 1578TIP3 H253653 -3.378 -4.053 3.281 1578TIP3 OH253654 -3.767 -3.706 3.884 1578TIP3 H153655 -3.862 -3.712 3.866 1578TIP3 H253656 -3.731 -3.727 3.795 1578TIP3 OH253657 -3.204 -3.647 3.761 1578TIP3 H153658 -3.247 -3.567 3.726 1578TIP3 H253659 -3.138 -3.666 3.693 1578TIP3 OH253660 -3.126 -3.712 4.044 1578TIP3 H153661 -3.156 -3.652 3.974 1578TIP3 H253662 -3.104 -3.791 3.991 1578TIP3 OH253663 -3.691 -3.937 3.238 1578TIP3 H153664 -3.724 -3.979 3.319 1578TIP3 H253665 -3.769 -3.928 3.183 1578TIP3 OH253666 -4.323 -3.942 3.933 1578TIP3 H153667 -4.301 -3.961 4.026 1578TIP3 H253668 -4.285 -4.018 3.887 1578TIP3 OH253669 -4.214 -3.881 3.533 1578TIP3 H153670 -4.152 -3.864 3.459 1578TIP3 H253671 -4.298 -3.859 3.492 1578TIP3 OH253672 -3.497 -3.940 3.983 1578TIP3 H153673 -3.589 -3.960 4.005 1578TIP3 H253674 -3.450 -3.974 4.060 1578TIP3 OH253675 -4.037 -3.822 3.847 1578TIP3 H153676 -4.122 -3.821 3.803 1578TIP3 H253677 -3.999 -3.906 3.814 1579TIP3 OH253678 -3.672 -3.790 3.623 1579TIP3 H153679 -3.575 -3.787 3.627 1579TIP3 H253680 -3.694 -3.731 3.550 1579TIP3 OH253681 -3.055 -4.072 4.270 1579TIP3 H153682 -3.088 -4.047 4.358 1579TIP3 H253683 -3.137 -4.076 4.218 1579TIP3 OH253684 -3.825 -3.666 3.397 1579TIP3 H153685 -3.883 -3.699 3.326 1579TIP3 H253686 -3.743 -3.650 3.347 1579TIP3 OH253687 -3.403 -3.707 4.193 1579TIP3 H153688 -3.331 -3.737 4.135 1579TIP3 H253689 -3.398 -3.773 4.264 1579TIP3 OH253690 -3.879 -4.060 3.791 1579TIP3 H153691 -3.920 -4.147 3.805 1579TIP3 H253692 -3.793 -4.084 3.754 1579TIP3 OH253693 -3.492 -3.191 3.576 1579TIP3 H153694 -3.559 -3.254 3.542 1579TIP3 H253695 -3.497 -3.205 3.673 1579TIP3 OH253696 -3.061 -3.930 3.343 1579TIP3 H153697 -3.159 -3.939 3.347 1579TIP3 H253698 -3.043 -3.863 3.411 1579TIP3 OH253699 -2.996 -3.748 3.559 1579TIP3 H153700 -2.910 -3.764 3.603 1579TIP3 H253701 -2.983 -3.661 3.519 1579TIP3 OH253702 -3.968 -3.309 4.153 1579TIP3 H153703 -3.902 -3.291 4.084 1579TIP3 H253704 -3.918 -3.371 4.210 1579TIP3 OH253705 -3.249 -3.054 3.471 1579TIP3 H153706 -3.272 -2.975 3.522 1579TIP3 H253707 -3.315 -3.118 3.501 1580TIP3 OH253708 -2.534 -3.745 3.539 1580TIP3 H153709 -2.590 -3.766 3.461 1580TIP3 H253710 -2.522 -3.649 3.525 1580TIP3 OH253711 -2.732 -2.905 3.529 1580TIP3 H153712 -2.729 -2.966 3.604 1580TIP3 H253713 -2.651 -2.924 3.480 1580TIP3 OH253714 -3.015 -3.328 4.241 1580TIP3 H153715 -3.094 -3.372 4.277 1580TIP3 H253716 -2.965 -3.404 4.206 1580TIP3 OH253717 -3.724 -2.937 3.866 1580TIP3 H153718 -3.687 -2.847 3.866 1580TIP3 H253719 -3.819 -2.920 3.868 1580TIP3 OH253720 -4.153 -3.445 3.356 1580TIP3 H153721 -4.082 -3.394 3.399 1580TIP3 H253722 -4.229 -3.390 3.379 1580TIP3 OH253723 -3.543 -3.167 3.866 1580TIP3 H153724 -3.586 -3.079 3.864 1580TIP3 H253725 -3.617 -3.224 3.893 1580TIP3 OH253726 -3.676 -2.661 3.786 1580TIP3 H153727 -3.772 -2.648 3.786 1580TIP3 H253728 -3.645 -2.572 3.813 1580TIP3 OH253729 -2.972 -3.038 3.335 1580TIP3 H153730 -2.924 -3.078 3.409 1580TIP3 H253731 -3.063 -3.052 3.366 1580TIP3 OH253732 -2.491 -2.618 3.379 1580TIP3 H153733 -2.421 -2.551 3.367 1580TIP3 H253734 -2.568 -2.560 3.389 1580TIP3 OH253735 -2.876 -3.182 3.577 1580TIP3 H153736 -2.895 -3.257 3.636 1580TIP3 H253737 -2.779 -3.179 3.579 1581TIP3 OH253738 -3.542 -2.931 3.196 1581TIP3 H153739 -3.510 -3.005 3.142 1581TIP3 H253740 -3.583 -2.979 3.270 1581TIP3 OH253741 -3.653 -2.947 3.478 1581TIP3 H153742 -3.619 -3.026 3.523 1581TIP3 H253743 -3.635 -2.878 3.543 1581TIP3 OH253744 -3.986 -3.243 3.499 1581TIP3 H153745 -4.057 -3.205 3.556 1581TIP3 H253746 -3.940 -3.161 3.476 1581TIP3 OH253747 -3.136 -4.057 3.631 1581TIP3 H153748 -3.128 -3.997 3.555 1581TIP3 H253749 -3.099 -4.003 3.703 1581TIP3 OH253750 -3.404 -3.848 3.731 1581TIP3 H153751 -3.327 -3.790 3.747 1581TIP3 H253752 -3.434 -3.869 3.822 1581TIP3 OH253753 -3.341 -4.172 3.824 1581TIP3 H153754 -3.360 -4.100 3.886 1581TIP3 H253755 -3.275 -4.131 3.765 1581TIP3 OH253756 -3.776 -4.051 3.483 1581TIP3 H153757 -3.770 -3.968 3.533 1581TIP3 H253758 -3.689 -4.089 3.504 1581TIP3 OH253759 -2.895 -3.570 4.141 1581TIP3 H153760 -2.974 -3.618 4.109 1581TIP3 H253761 -2.840 -3.646 4.172 1581TIP3 OH253762 -3.923 -2.959 3.383 1581TIP3 H153763 -3.842 -2.923 3.422 1581TIP3 H253764 -3.886 -3.016 3.314 1581TIP3 OH253765 -4.115 -3.747 3.299 1581TIP3 H153766 -4.108 -3.652 3.317 1581TIP3 H253767 -4.192 -3.755 3.241 1582TIP3 OH253768 -2.794 -2.615 4.366 1582TIP3 H153769 -2.814 -2.547 4.299 1582TIP3 H253770 -2.702 -2.630 4.341 1582TIP3 OH253771 -4.087 -4.238 4.182 1582TIP3 H153772 -4.064 -4.248 4.089 1582TIP3 H253773 -4.086 -4.331 4.212 1582TIP3 OH253774 -4.135 -2.879 3.797 1582TIP3 H153775 -4.227 -2.849 3.807 1582TIP3 H253776 -4.109 -2.838 3.714 1582TIP3 OH253777 -3.345 -2.743 3.266 1582TIP3 H153778 -3.399 -2.821 3.243 1582TIP3 H253779 -3.256 -2.777 3.246 1582TIP3 OH253780 -2.869 -2.767 3.260 1582TIP3 H153781 -2.849 -2.841 3.320 1582TIP3 H253782 -2.788 -2.762 3.208 1582TIP3 OH253783 -3.777 -3.185 3.234 1582TIP3 H153784 -3.763 -3.253 3.302 1582TIP3 H253785 -3.695 -3.195 3.181 1582TIP3 OH253786 -3.262 -3.059 3.189 1582TIP3 H153787 -3.258 -3.062 3.286 1582TIP3 H253788 -3.260 -3.155 3.168 1582TIP3 OH253789 -3.671 -3.384 3.462 1582TIP3 H153790 -3.734 -3.435 3.517 1582TIP3 H253791 -3.642 -3.453 3.398 1582TIP3 OH253792 -3.576 -3.581 3.287 1582TIP3 H153793 -3.579 -3.576 3.190 1582TIP3 H253794 -3.480 -3.589 3.302 1582TIP3 OH253795 -2.626 -3.331 3.220 1582TIP3 H153796 -2.635 -3.373 3.132 1582TIP3 H253797 -2.634 -3.237 3.195 1583TIP3 OH253798 -4.196 -2.970 3.303 1583TIP3 H153799 -4.126 -2.979 3.370 1583TIP3 H253800 -4.221 -3.062 3.285 1583TIP3 OH253801 -4.271 -2.692 4.018 1583TIP3 H153802 -4.275 -2.783 4.055 1583TIP3 H253803 -4.246 -2.645 4.099 1583TIP3 OH253804 -2.518 -2.550 4.290 1583TIP3 H153805 -2.505 -2.588 4.379 1583TIP3 H253806 -2.427 -2.552 4.259 1583TIP3 OH253807 -2.587 -3.193 3.615 1583TIP3 H153808 -2.496 -3.161 3.629 1583TIP3 H253809 -2.592 -3.258 3.688 1583TIP3 OH253810 -2.539 -3.397 3.813 1583TIP3 H153811 -2.605 -3.455 3.856 1583TIP3 H253812 -2.469 -3.389 3.881 1583TIP3 OH253813 -2.564 -3.191 4.355 1583TIP3 H153814 -2.501 -3.228 4.292 1583TIP3 H253815 -2.566 -3.096 4.332 1583TIP3 OH253816 -2.516 -3.455 3.469 1583TIP3 H153817 -2.566 -3.425 3.391 1583TIP3 H253818 -2.526 -3.379 3.529 1583TIP3 OH253819 -2.690 -3.697 3.294 1583TIP3 H153820 -2.660 -3.638 3.223 1583TIP3 H253821 -2.712 -3.779 3.245 1583TIP3 OH253822 -2.752 -3.583 3.892 1583TIP3 H153823 -2.754 -3.678 3.875 1583TIP3 H253824 -2.785 -3.578 3.984 1583TIP3 OH253825 -4.217 -3.301 4.316 1583TIP3 H153826 -4.268 -3.330 4.238 1583TIP3 H253827 -4.145 -3.365 4.318 1584TIP3 OH253828 -2.746 -3.968 3.212 1584TIP3 H153829 -2.685 -4.012 3.274 1584TIP3 H253830 -2.827 -4.019 3.221 1584TIP3 OH253831 -2.763 -3.827 3.711 1584TIP3 H153832 -2.747 -3.924 3.718 1584TIP3 H253833 -2.681 -3.798 3.669 1584TIP3 OH253834 -2.741 -3.775 4.218 1584TIP3 H153835 -2.645 -3.774 4.233 1584TIP3 H253836 -2.775 -3.783 4.309 1584TIP3 OH253837 -2.733 -4.099 3.720 1584TIP3 H153838 -2.710 -4.149 3.799 1584TIP3 H253839 -2.795 -4.160 3.676 1584TIP3 OH253840 -4.169 -3.973 4.191 1584TIP3 H153841 -4.164 -4.070 4.200 1584TIP3 H253842 -4.113 -3.947 4.265 1584TIP3 OH253843 -4.343 -3.712 4.318 1584TIP3 H153844 -4.309 -3.759 4.240 1584TIP3 H253845 -4.299 -3.627 4.310 1584TIP3 OH253846 -2.520 -4.056 3.378 1584TIP3 H153847 -2.502 -4.142 3.336 1584TIP3 H253848 -2.433 -4.015 3.383 1584TIP3 OH253849 -4.314 -4.107 3.654 1584TIP3 H153850 -4.397 -4.078 3.616 1584TIP3 H253851 -4.253 -4.037 3.620 1584TIP3 OH253852 -2.812 -2.573 3.911 1584TIP3 H153853 -2.744 -2.637 3.890 1584TIP3 H253854 -2.770 -2.525 3.986 1584TIP3 OH253855 -4.152 -2.643 4.266 1584TIP3 H153856 -4.132 -2.660 4.360 1584TIP3 H253857 -4.067 -2.666 4.226 1585TIP3 OH253858 -3.909 -2.750 4.116 1585TIP3 H153859 -3.926 -2.841 4.146 1585TIP3 H253860 -3.820 -2.734 4.152 1585TIP3 OH253861 -3.626 -2.702 4.212 1585TIP3 H153862 -3.611 -2.792 4.180 1585TIP3 H253863 -3.630 -2.718 4.307 1585TIP3 OH253864 -3.302 -4.109 4.127 1585TIP3 H153865 -3.364 -4.181 4.152 1585TIP3 H253866 -3.235 -4.159 4.077 1585TIP3 OH253867 -2.770 -4.349 4.151 1585TIP3 H153868 -2.715 -4.281 4.110 1585TIP3 H253869 -2.857 -4.309 4.160 1585TIP3 OH253870 -2.577 -4.221 3.956 1585TIP3 H153871 -2.519 -4.244 3.883 1585TIP3 H253872 -2.556 -4.127 3.970 1585TIP3 OH253873 -4.076 -4.280 3.872 1585TIP3 H153874 -4.159 -4.316 3.837 1585TIP3 H253875 -4.023 -4.360 3.886 1585TIP3 OH253876 -4.205 -4.301 3.475 1585TIP3 H153877 -4.172 -4.238 3.409 1585TIP3 H253878 -4.257 -4.242 3.533 1585TIP3 OH253879 -3.617 -4.230 3.891 1585TIP3 H153880 -3.523 -4.232 3.867 1585TIP3 H253881 -3.620 -4.290 3.967 1585TIP3 OH253882 -3.085 -4.269 4.012 1585TIP3 H153883 -3.019 -4.271 3.941 1585TIP3 H253884 -3.060 -4.346 4.067 1585TIP3 OH253885 -2.949 -4.272 3.620 1585TIP3 H153886 -3.025 -4.214 3.603 1585TIP3 H253887 -2.989 -4.360 3.624 1586TIP3 OH253888 -4.182 -2.692 3.567 1586TIP3 H153889 -4.253 -2.711 3.505 1586TIP3 H253890 -4.186 -2.595 3.572 1586TIP3 OH253891 -4.009 -4.112 3.332 1586TIP3 H153892 -3.947 -4.157 3.273 1586TIP3 H253893 -3.947 -4.071 3.395 1586TIP3 OH253894 -3.492 -4.059 3.561 1586TIP3 H153895 -3.481 -4.143 3.609 1586TIP3 H253896 -3.471 -3.992 3.629 1586TIP3 OH253897 -2.602 -2.606 3.652 1586TIP3 H153898 -2.654 -2.683 3.623 1586TIP3 H253899 -2.629 -2.541 3.586 1586TIP3 OH253900 -4.006 -2.590 3.271 1586TIP3 H153901 -4.048 -2.573 3.357 1586TIP3 H253902 -3.951 -2.667 3.291 1586TIP3 OH253903 -1.280 -3.365 3.928 1586TIP3 H153904 -1.283 -3.268 3.925 1586TIP3 H253905 -1.346 -3.389 3.861 1586TIP3 OH253906 -1.390 -3.425 4.249 1586TIP3 H153907 -1.388 -3.505 4.305 1586TIP3 H253908 -1.396 -3.464 4.160 1586TIP3 OH253909 -0.961 -3.164 4.025 1586TIP3 H153910 -1.013 -3.233 4.069 1586TIP3 H253911 -0.947 -3.104 4.101 1586TIP3 OH253912 -2.076 -3.014 4.261 1586TIP3 H153913 -2.098 -3.103 4.231 1586TIP3 H253914 -1.979 -3.018 4.254 1586TIP3 OH253915 -2.378 -3.663 3.778 1586TIP3 H153916 -2.414 -3.573 3.789 1586TIP3 H253917 -2.452 -3.708 3.736 1587TIP3 OH253918 -2.303 -3.424 3.969 1587TIP3 H153919 -2.280 -3.497 4.030 1587TIP3 H253920 -2.217 -3.405 3.930 1587TIP3 OH253921 -1.318 -2.608 4.113 1587TIP3 H153922 -1.258 -2.679 4.084 1587TIP3 H253923 -1.353 -2.640 4.197 1587TIP3 OH253924 -1.595 -3.226 4.326 1587TIP3 H153925 -1.537 -3.262 4.257 1587TIP3 H253926 -1.616 -3.304 4.377 1587TIP3 OH253927 -1.234 -3.728 4.317 1587TIP3 H153928 -1.189 -3.812 4.340 1587TIP3 H253929 -1.222 -3.725 4.220 1587TIP3 OH253930 -1.928 -3.941 4.042 1587TIP3 H153931 -1.904 -3.857 4.000 1587TIP3 H253932 -1.959 -3.990 3.963 1587TIP3 OH253933 -2.225 -3.675 4.101 1587TIP3 H153934 -2.178 -3.738 4.155 1587TIP3 H253935 -2.221 -3.718 4.013 1587TIP3 OH253936 -1.715 -3.531 4.057 1587TIP3 H153937 -1.637 -3.586 4.080 1587TIP3 H253938 -1.759 -3.589 3.992 1587TIP3 OH253939 -1.280 -3.080 3.793 1587TIP3 H153940 -1.318 -3.107 3.709 1587TIP3 H253941 -1.328 -2.997 3.811 1587TIP3 OH253942 -0.926 -4.015 4.061 1587TIP3 H153943 -0.993 -4.063 4.111 1587TIP3 H253944 -0.903 -3.945 4.124 1587TIP3 OH253945 -2.002 -3.849 4.298 1587TIP3 H153946 -2.009 -3.755 4.280 1587TIP3 H253947 -2.001 -3.889 4.209 1588TIP3 OH253948 -2.313 -3.112 3.627 1588TIP3 H153949 -2.328 -3.060 3.546 1588TIP3 H253950 -2.294 -3.042 3.694 1588TIP3 OH253951 -0.938 -3.037 4.262 1588TIP3 H153952 -1.015 -3.051 4.321 1588TIP3 H253953 -0.891 -2.967 4.307 1588TIP3 OH253954 -1.639 -4.317 4.153 1588TIP3 H153955 -1.599 -4.398 4.190 1588TIP3 H253956 -1.688 -4.280 4.228 1588TIP3 OH253957 -1.130 -2.775 3.969 1588TIP3 H153958 -1.085 -2.852 3.930 1588TIP3 H253959 -1.070 -2.703 3.945 1588TIP3 OH253960 -0.988 -2.984 3.817 1588TIP3 H153961 -1.047 -3.032 3.756 1588TIP3 H253962 -0.978 -3.050 3.889 1588TIP3 OH253963 -1.412 -3.411 3.641 1588TIP3 H153964 -1.476 -3.352 3.598 1588TIP3 H253965 -1.338 -3.412 3.578 1588TIP3 OH253966 -1.383 -3.589 3.341 1588TIP3 H153967 -1.318 -3.564 3.409 1588TIP3 H253968 -1.334 -3.659 3.295 1588TIP3 OH253969 -1.058 -3.410 3.750 1588TIP3 H153970 -1.129 -3.395 3.816 1588TIP3 H253971 -1.005 -3.477 3.797 1588TIP3 OH253972 -1.901 -3.335 3.925 1588TIP3 H153973 -1.933 -3.381 3.845 1588TIP3 H253974 -1.839 -3.400 3.964 1588TIP3 OH253975 -1.784 -3.074 4.166 1588TIP3 H153976 -1.773 -3.058 4.072 1588TIP3 H253977 -1.717 -3.015 4.204 1589TIP3 OH253978 -1.887 -3.469 4.270 1589TIP3 H153979 -1.816 -3.466 4.202 1589TIP3 H253980 -1.856 -3.405 4.336 1589TIP3 OH253981 -1.167 -3.462 3.493 1589TIP3 H153982 -1.118 -3.443 3.576 1589TIP3 H253983 -1.114 -3.411 3.427 1589TIP3 OH253984 -1.412 -2.808 3.850 1589TIP3 H153985 -1.375 -2.777 3.933 1589TIP3 H253986 -1.469 -2.734 3.823 1589TIP3 OH253987 -0.842 -4.321 3.412 1589TIP3 H153988 -0.901 -4.322 3.489 1589TIP3 H253989 -0.767 -4.274 3.451 1589TIP3 OH253990 -2.007 -3.463 3.681 1589TIP3 H153991 -2.026 -3.387 3.624 1589TIP3 H253992 -2.072 -3.527 3.652 1589TIP3 OH253993 -0.681 -2.883 3.298 1589TIP3 H153994 -0.666 -2.789 3.321 1589TIP3 H253995 -0.594 -2.922 3.319 1589TIP3 OH253996 -1.460 -2.537 3.699 1589TIP3 H153997 -1.464 -2.527 3.603 1589TIP3 H253998 -1.459 -2.445 3.731 1589TIP3 OH253999 -2.067 -2.660 3.812 1589TIP3 H154000 -2.064 -2.646 3.909 1589TIP3 H254001 -2.162 -2.658 3.797 1589TIP3 OH254002 -1.134 -2.596 3.418 1589TIP3 H154003 -1.076 -2.661 3.374 1589TIP3 H254004 -1.140 -2.633 3.508 1589TIP3 OH254005 -1.195 -2.653 3.698 1589TIP3 H154006 -1.290 -2.638 3.712 1589TIP3 H254007 -1.181 -2.727 3.759 1590TIP3 OH254008 -1.889 -4.209 4.306 1590TIP3 H154009 -1.948 -4.220 4.231 1590TIP3 H254010 -1.864 -4.115 4.304 1590TIP3 OH254011 -1.008 -3.362 3.291 1590TIP3 H154012 -1.027 -3.384 3.198 1590TIP3 H254013 -0.914 -3.338 3.287 1590TIP3 OH254014 -1.452 -3.993 3.340 1590TIP3 H154015 -1.503 -4.000 3.422 1590TIP3 H254016 -1.500 -4.057 3.283 1590TIP3 OH254017 -1.881 -3.705 3.887 1590TIP3 H154018 -1.976 -3.713 3.867 1590TIP3 H254019 -1.843 -3.725 3.799 1590TIP3 OH254020 -1.301 -3.634 3.776 1590TIP3 H154021 -1.360 -3.573 3.727 1590TIP3 H254022 -1.252 -3.678 3.704 1590TIP3 OH254023 -1.228 -3.729 4.032 1590TIP3 H154024 -1.257 -3.677 3.953 1590TIP3 H254025 -1.220 -3.816 3.987 1590TIP3 OH254026 -1.805 -3.943 3.235 1590TIP3 H154027 -1.838 -3.978 3.320 1590TIP3 H254028 -1.886 -3.931 3.184 1590TIP3 OH254029 -2.458 -3.956 3.944 1590TIP3 H154030 -2.402 -3.956 4.023 1590TIP3 H254031 -2.401 -3.994 3.876 1590TIP3 OH254032 -2.301 -3.912 3.513 1590TIP3 H154033 -2.246 -3.861 3.450 1590TIP3 H254034 -2.371 -3.846 3.532 1590TIP3 OH254035 -1.628 -3.950 3.985 1590TIP3 H154036 -1.717 -3.962 4.022 1590TIP3 H254037 -1.570 -3.976 4.057 1591TIP3 OH254038 -2.150 -3.827 3.854 1591TIP3 H154039 -2.230 -3.796 3.807 1591TIP3 H254040 -2.122 -3.906 3.803 1591TIP3 OH254041 -1.800 -3.794 3.617 1591TIP3 H154042 -1.703 -3.789 3.633 1591TIP3 H254043 -1.815 -3.728 3.548 1591TIP3 OH254044 -1.184 -4.072 4.270 1591TIP3 H154045 -1.241 -4.046 4.344 1591TIP3 H254046 -1.243 -4.080 4.194 1591TIP3 OH254047 -1.944 -3.665 3.393 1591TIP3 H154048 -1.998 -3.695 3.319 1591TIP3 H254049 -1.860 -3.645 3.348 1591TIP3 OH254050 -1.510 -3.709 4.184 1591TIP3 H154051 -1.442 -3.743 4.123 1591TIP3 H254052 -1.503 -3.771 4.258 1591TIP3 OH254053 -1.988 -4.066 3.793 1591TIP3 H154054 -2.032 -4.153 3.801 1591TIP3 H254055 -1.905 -4.088 3.748 1591TIP3 OH254056 -1.595 -3.206 3.581 1591TIP3 H154057 -1.670 -3.259 3.546 1591TIP3 H254058 -1.611 -3.206 3.678 1591TIP3 OH254059 -1.178 -3.951 3.367 1591TIP3 H154060 -1.275 -3.959 3.376 1591TIP3 H254061 -1.157 -3.894 3.444 1591TIP3 OH254062 -1.109 -3.745 3.554 1591TIP3 H154063 -1.033 -3.763 3.612 1591TIP3 H254064 -1.087 -3.659 3.514 1591TIP3 OH254065 -2.097 -3.306 4.170 1591TIP3 H154066 -2.033 -3.286 4.100 1591TIP3 H254067 -2.045 -3.370 4.222 1592TIP3 OH254068 -1.353 -3.072 3.472 1592TIP3 H154069 -1.378 -2.987 3.512 1592TIP3 H254070 -1.426 -3.129 3.501 1592TIP3 OH254071 -0.644 -3.749 3.537 1592TIP3 H154072 -0.708 -3.767 3.466 1592TIP3 H254073 -0.637 -3.652 3.528 1592TIP3 OH254074 -0.829 -2.882 3.547 1592TIP3 H154075 -0.854 -2.959 3.601 1592TIP3 H254076 -0.775 -2.921 3.477 1592TIP3 OH254077 -1.107 -3.342 4.254 1592TIP3 H154078 -1.202 -3.358 4.265 1592TIP3 H254079 -1.079 -3.419 4.200 1592TIP3 OH254080 -1.838 -2.949 3.863 1592TIP3 H154081 -1.798 -2.862 3.882 1592TIP3 H254082 -1.931 -2.927 3.871 1592TIP3 OH254083 -2.242 -3.462 3.351 1592TIP3 H154084 -2.183 -3.396 3.390 1592TIP3 H254085 -2.329 -3.433 3.384 1592TIP3 OH254086 -1.658 -3.172 3.858 1592TIP3 H154087 -1.694 -3.081 3.858 1592TIP3 H254088 -1.732 -3.221 3.896 1592TIP3 OH254089 -1.788 -2.648 3.808 1592TIP3 H154090 -1.886 -2.649 3.811 1592TIP3 H254091 -1.767 -2.559 3.839 1592TIP3 OH254092 -1.083 -3.042 3.336 1592TIP3 H154093 -1.042 -3.088 3.411 1592TIP3 H254094 -1.176 -3.054 3.360 1592TIP3 OH254095 -0.609 -2.616 3.389 1592TIP3 H154096 -0.540 -2.552 3.367 1592TIP3 H254097 -0.686 -2.556 3.390 1593TIP3 OH254098 -0.986 -3.181 3.572 1593TIP3 H154099 -1.016 -3.251 3.633 1593TIP3 H254100 -0.890 -3.183 3.586 1593TIP3 OH254101 -1.659 -2.937 3.193 1593TIP3 H154102 -1.630 -3.017 3.146 1593TIP3 H254103 -1.701 -2.975 3.272 1593TIP3 OH254104 -1.774 -2.984 3.463 1593TIP3 H154105 -1.726 -3.037 3.528 1593TIP3 H254106 -1.762 -2.894 3.497 1593TIP3 OH254107 -2.092 -3.241 3.503 1593TIP3 H154108 -2.164 -3.202 3.557 1593TIP3 H254109 -2.043 -3.161 3.478 1593TIP3 OH254110 -1.479 -2.822 3.528 1593TIP3 H154111 -1.561 -2.775 3.547 1593TIP3 H254112 -1.446 -2.774 3.451 1593TIP3 OH254113 -1.540 -3.832 3.728 1593TIP3 H154114 -1.443 -3.824 3.732 1593TIP3 H254115 -1.553 -3.874 3.816 1593TIP3 OH254116 -1.759 -2.715 3.527 1593TIP3 H154117 -1.766 -2.632 3.476 1593TIP3 H254118 -1.776 -2.684 3.618 1593TIP3 OH254119 -1.885 -4.053 3.483 1593TIP3 H154120 -1.885 -3.969 3.533 1593TIP3 H254121 -1.795 -4.085 3.506 1593TIP3 OH254122 -1.010 -3.573 4.137 1593TIP3 H154123 -1.086 -3.622 4.100 1593TIP3 H254124 -0.954 -3.647 4.170 1593TIP3 OH254125 -2.048 -2.960 3.379 1593TIP3 H154126 -1.977 -2.910 3.422 1593TIP3 H254127 -1.996 -3.010 3.315 1594TIP3 OH254128 -2.233 -3.745 3.291 1594TIP3 H154129 -2.219 -3.652 3.315 1594TIP3 H254130 -2.321 -3.742 3.251 1594TIP3 OH254131 -0.800 -2.476 4.358 1594TIP3 H154132 -0.861 -2.439 4.291 1594TIP3 H254133 -0.771 -2.555 4.312 1594TIP3 OH254134 -2.218 -4.244 4.179 1594TIP3 H154135 -2.188 -4.241 4.087 1594TIP3 H254136 -2.184 -4.332 4.205 1594TIP3 OH254137 -2.265 -2.897 3.799 1594TIP3 H154138 -2.334 -2.831 3.814 1594TIP3 H254139 -2.199 -2.845 3.751 1594TIP3 OH254140 -1.437 -2.766 3.243 1594TIP3 H154141 -1.513 -2.827 3.235 1594TIP3 H254142 -1.367 -2.822 3.207 1594TIP3 OH254143 -0.975 -2.775 3.255 1594TIP3 H154144 -0.959 -2.856 3.306 1594TIP3 H254145 -0.895 -2.771 3.198 1594TIP3 OH254146 -1.895 -3.194 3.227 1594TIP3 H154147 -1.878 -3.252 3.303 1594TIP3 H254148 -1.808 -3.197 3.183 1594TIP3 OH254149 -1.370 -3.060 3.188 1594TIP3 H154150 -1.375 -3.064 3.286 1594TIP3 H254151 -1.377 -3.156 3.167 1594TIP3 OH254152 -1.786 -3.384 3.461 1594TIP3 H154153 -1.846 -3.435 3.517 1594TIP3 H254154 -1.755 -3.453 3.398 1594TIP3 OH254155 -1.691 -3.584 3.287 1594TIP3 H154156 -1.694 -3.575 3.190 1594TIP3 H254157 -1.595 -3.587 3.303 1595TIP3 OH254158 -0.737 -3.339 3.210 1595TIP3 H154159 -0.768 -3.366 3.122 1595TIP3 H254160 -0.743 -3.242 3.200 1595TIP3 OH254161 -1.715 -2.458 3.396 1595TIP3 H154162 -1.619 -2.449 3.408 1595TIP3 H254163 -1.726 -2.415 3.310 1595TIP3 OH254164 -2.323 -3.020 3.350 1595TIP3 H154165 -2.228 -3.000 3.364 1595TIP3 H254166 -2.319 -3.099 3.292 1595TIP3 OH254167 -2.416 -2.494 3.821 1595TIP3 H154168 -2.483 -2.536 3.761 1595TIP3 H254169 -2.413 -2.560 3.894 1595TIP3 OH254170 -2.405 -2.686 4.015 1595TIP3 H154171 -2.404 -2.777 4.046 1595TIP3 H254172 -2.337 -2.647 4.073 1595TIP3 OH254173 -0.604 -2.640 4.282 1595TIP3 H154174 -0.617 -2.616 4.376 1595TIP3 H254175 -0.537 -2.575 4.258 1595TIP3 OH254176 -0.699 -3.198 3.613 1595TIP3 H154177 -0.609 -3.164 3.630 1595TIP3 H254178 -0.710 -3.258 3.688 1595TIP3 OH254179 -0.636 -3.408 3.825 1595TIP3 H154180 -0.717 -3.455 3.854 1595TIP3 H254181 -0.592 -3.389 3.909 1595TIP3 OH254182 -0.643 -3.178 4.324 1595TIP3 H154183 -0.622 -3.205 4.235 1595TIP3 H254184 -0.695 -3.098 4.308 1595TIP3 OH254185 -0.627 -3.453 3.469 1595TIP3 H154186 -0.679 -3.427 3.390 1595TIP3 H254187 -0.642 -3.376 3.527 1596TIP3 OH254188 -0.802 -3.698 3.292 1596TIP3 H154189 -0.773 -3.640 3.221 1596TIP3 H254190 -0.826 -3.779 3.246 1596TIP3 OH254191 -0.852 -3.583 3.894 1596TIP3 H154192 -0.867 -3.676 3.867 1596TIP3 H254193 -0.900 -3.579 3.979 1596TIP3 OH254194 -2.374 -3.410 4.260 1596TIP3 H154195 -2.338 -3.373 4.178 1596TIP3 H254196 -2.297 -3.407 4.318 1596TIP3 OH254197 -0.853 -3.977 3.200 1596TIP3 H154198 -0.799 -4.013 3.273 1596TIP3 H254199 -0.939 -4.019 3.216 1596TIP3 OH254200 -0.872 -3.820 3.712 1596TIP3 H154201 -0.872 -3.916 3.727 1596TIP3 H254202 -0.786 -3.808 3.668 1596TIP3 OH254203 -0.856 -3.772 4.220 1596TIP3 H154204 -0.761 -3.779 4.234 1596TIP3 H254205 -0.893 -3.792 4.308 1596TIP3 OH254206 -0.836 -4.104 3.715 1596TIP3 H154207 -0.851 -4.131 3.806 1596TIP3 H254208 -0.911 -4.148 3.671 1596TIP3 OH254209 -2.301 -3.983 4.189 1596TIP3 H154210 -2.286 -4.080 4.198 1596TIP3 H254211 -2.238 -3.949 4.254 1596TIP3 OH254212 -2.463 -3.697 4.302 1596TIP3 H154213 -2.418 -3.735 4.224 1596TIP3 H254214 -2.434 -3.604 4.296 1596TIP3 OH254215 -0.634 -4.052 3.366 1596TIP3 H154216 -0.618 -4.143 3.340 1596TIP3 H254217 -0.546 -4.017 3.386 1597TIP3 OH254218 -2.401 -4.105 3.689 1597TIP3 H154219 -2.496 -4.093 3.672 1597TIP3 H254220 -2.361 -4.035 3.634 1597TIP3 OH254221 -0.947 -2.568 3.891 1597TIP3 H154222 -0.888 -2.593 3.819 1597TIP3 H254223 -0.886 -2.531 3.957 1597TIP3 OH254224 -2.266 -2.673 4.348 1597TIP3 H154225 -2.221 -2.750 4.383 1597TIP3 H254226 -2.210 -2.650 4.270 1597TIP3 OH254227 -1.924 -2.822 4.122 1597TIP3 H154228 -2.009 -2.866 4.139 1597TIP3 H254229 -1.955 -2.729 4.123 1597TIP3 OH254230 -1.704 -2.688 4.221 1597TIP3 H154231 -1.747 -2.759 4.171 1597TIP3 H254232 -1.742 -2.704 4.308 1597TIP3 OH254233 -0.881 -4.344 4.160 1597TIP3 H154234 -0.837 -4.274 4.111 1597TIP3 H254235 -0.976 -4.321 4.153 1597TIP3 OH254236 -0.660 -4.223 3.966 1597TIP3 H154237 -0.648 -4.240 3.873 1597TIP3 H254238 -0.688 -4.131 3.970 1597TIP3 OH254239 -2.179 -4.285 3.864 1597TIP3 H154240 -2.270 -4.309 3.845 1597TIP3 H254241 -2.141 -4.367 3.896 1597TIP3 OH254242 -2.320 -4.291 3.487 1597TIP3 H154243 -2.273 -4.242 3.417 1597TIP3 H254244 -2.356 -4.218 3.540 1597TIP3 OH254245 -1.703 -4.262 3.868 1597TIP3 H154246 -1.625 -4.209 3.886 1597TIP3 H254247 -1.726 -4.290 3.958 1598TIP3 OH254248 -1.147 -4.288 4.041 1598TIP3 H154249 -1.193 -4.249 3.965 1598TIP3 H254250 -1.194 -4.370 4.061 1598TIP3 OH254251 -1.064 -4.269 3.599 1598TIP3 H154252 -1.138 -4.206 3.611 1598TIP3 H254253 -1.101 -4.350 3.636 1598TIP3 OH254254 -2.281 -2.697 3.588 1598TIP3 H154255 -2.348 -2.704 3.518 1598TIP3 H254256 -2.279 -2.602 3.602 1598TIP3 OH254257 -2.127 -4.126 3.333 1598TIP3 H154258 -2.056 -4.161 3.275 1598TIP3 H254259 -2.074 -4.074 3.396 1598TIP3 OH254260 -1.612 -4.062 3.580 1598TIP3 H154261 -1.568 -4.134 3.627 1598TIP3 H254262 -1.585 -3.985 3.635 1598TIP3 OH254263 -1.410 -2.512 3.403 1598TIP3 H154264 -1.312 -2.512 3.401 1598TIP3 H254265 -1.429 -2.579 3.337 1598TIP3 OH254266 -0.757 -2.611 3.664 1598TIP3 H154267 -0.782 -2.695 3.619 1598TIP3 H254268 -0.763 -2.549 3.590 1598TIP3 OH254269 -2.132 -2.600 3.273 1598TIP3 H154270 -2.157 -2.577 3.364 1598TIP3 H254271 -2.056 -2.659 3.287 1598TIP3 OH254272 0.603 -3.370 3.923 1598TIP3 H154273 0.611 -3.273 3.930 1598TIP3 H254274 0.534 -3.378 3.855 1598TIP3 OH254275 0.498 -3.429 4.247 1598TIP3 H154276 0.494 -3.504 4.308 1598TIP3 H254277 0.489 -3.471 4.161 1599TIP3 OH254278 0.850 -3.152 4.035 1599TIP3 H154279 0.814 -3.222 4.092 1599TIP3 H254280 0.894 -3.101 4.106 1599TIP3 OH254281 -0.491 -3.650 3.781 1599TIP3 H154282 -0.542 -3.567 3.782 1599TIP3 H254283 -0.559 -3.713 3.754 1599TIP3 OH254284 -0.386 -3.394 4.048 1599TIP3 H154285 -0.394 -3.491 4.057 1599TIP3 H254286 -0.350 -3.387 3.958 1599TIP3 OH254287 0.558 -2.615 4.110 1599TIP3 H154288 0.626 -2.678 4.082 1599TIP3 H254289 0.538 -2.643 4.201 1599TIP3 OH254290 0.305 -3.199 4.278 1599TIP3 H154291 0.346 -3.267 4.223 1599TIP3 H254292 0.387 -3.163 4.319 1599TIP3 OH254293 0.654 -3.722 4.321 1599TIP3 H154294 0.692 -3.808 4.345 1599TIP3 H254295 0.660 -3.722 4.223 1599TIP3 OH254296 -0.040 -3.940 4.042 1599TIP3 H154297 -0.018 -3.856 3.997 1599TIP3 H254298 -0.070 -3.993 3.964 1599TIP3 OH254299 0.759 -3.918 3.874 1599TIP3 H154300 0.816 -3.964 3.938 1599TIP3 H254301 0.825 -3.877 3.816 1599TIP3 OH254302 -0.342 -3.674 4.100 1599TIP3 H154303 -0.299 -3.740 4.155 1599TIP3 H254304 -0.341 -3.720 4.014 1599TIP3 OH254305 0.166 -3.530 4.059 1599TIP3 H154306 0.243 -3.585 4.083 1599TIP3 H254307 0.124 -3.585 3.990 1600TIP3 OH254308 0.599 -3.084 3.793 1600TIP3 H154309 0.571 -3.101 3.702 1600TIP3 H254310 0.558 -2.998 3.812 1600TIP3 OH254311 0.946 -4.014 4.071 1600TIP3 H154312 0.906 -4.066 4.143 1600TIP3 H254313 0.994 -3.949 4.126 1600TIP3 OH254314 -0.111 -3.850 4.297 1600TIP3 H154315 -0.128 -3.757 4.279 1600TIP3 H254316 -0.113 -3.891 4.208 1600TIP3 OH254317 -0.426 -3.112 3.628 1600TIP3 H154318 -0.443 -3.065 3.545 1600TIP3 H254319 -0.408 -3.039 3.692 1600TIP3 OH254320 0.946 -3.091 4.277 1600TIP3 H154321 0.870 -3.074 4.336 1600TIP3 H254322 0.995 -3.009 4.285 1600TIP3 OH254323 0.249 4.378 4.165 1600TIP3 H154324 0.267 4.288 4.195 1600TIP3 H254325 0.184 4.410 4.229 1600TIP3 OH254326 0.746 -2.771 3.952 1600TIP3 H154327 0.798 -2.851 3.931 1600TIP3 H254328 0.816 -2.703 3.948 1600TIP3 OH254329 0.901 -2.991 3.819 1600TIP3 H154330 0.843 -3.033 3.754 1600TIP3 H254331 0.889 -3.051 3.896 1600TIP3 OH254332 0.475 -3.415 3.642 1600TIP3 H154333 0.410 -3.354 3.603 1600TIP3 H254334 0.548 -3.410 3.577 1600TIP3 OH254335 0.504 -3.595 3.346 1600TIP3 H154336 0.573 -3.565 3.408 1600TIP3 H254337 0.557 -3.653 3.288 1601TIP3 OH254338 0.825 -3.415 3.750 1601TIP3 H154339 0.760 -3.392 3.819 1601TIP3 H254340 0.887 -3.470 3.801 1601TIP3 OH254341 -0.032 -3.327 3.944 1601TIP3 H154342 -0.061 -3.372 3.863 1601TIP3 H254343 0.027 -3.391 3.985 1601TIP3 OH254344 0.067 -3.030 4.165 1601TIP3 H154345 0.098 -3.049 4.076 1601TIP3 H254346 0.150 -3.020 4.214 1601TIP3 OH254347 -0.001 -3.443 4.269 1601TIP3 H154348 0.063 -3.463 4.198 1601TIP3 H254349 0.059 -3.435 4.345 1601TIP3 OH254350 0.723 -3.472 3.495 1601TIP3 H154351 0.770 -3.443 3.576 1601TIP3 H254352 0.772 -3.420 3.427 1601TIP3 OH254353 0.462 -2.811 3.856 1601TIP3 H154354 0.520 -2.778 3.925 1601TIP3 H254355 0.419 -2.730 3.823 1601TIP3 OH254356 1.042 -4.322 3.415 1601TIP3 H154357 0.996 -4.323 3.501 1601TIP3 H254358 1.120 -4.270 3.440 1601TIP3 OH254359 -0.119 -3.459 3.683 1601TIP3 H154360 -0.140 -3.384 3.624 1601TIP3 H254361 -0.183 -3.525 3.655 1601TIP3 OH254362 1.205 -2.882 3.298 1601TIP3 H154363 1.220 -2.789 3.321 1601TIP3 H254364 1.292 -2.922 3.319 1601TIP3 OH254365 -0.490 -2.921 4.260 1601TIP3 H154366 -0.404 -2.882 4.244 1601TIP3 H254367 -0.542 -2.841 4.278 1602TIP3 OH254368 0.423 -2.539 3.699 1602TIP3 H154369 0.424 -2.526 3.602 1602TIP3 H254370 0.424 -2.448 3.732 1602TIP3 OH254371 -0.197 -2.625 3.865 1602TIP3 H154372 -0.183 -2.674 3.948 1602TIP3 H254373 -0.281 -2.663 3.835 1602TIP3 OH254374 0.752 -2.596 3.417 1602TIP3 H154375 0.810 -2.662 3.374 1602TIP3 H254376 0.746 -2.633 3.508 1602TIP3 OH254377 0.691 -2.656 3.694 1602TIP3 H154378 0.597 -2.637 3.712 1602TIP3 H254379 0.710 -2.720 3.765 1602TIP3 OH254380 0.000 -4.211 4.301 1602TIP3 H154381 -0.068 -4.222 4.234 1602TIP3 H254382 0.018 -4.115 4.301 1602TIP3 OH254383 0.877 -3.364 3.295 1602TIP3 H154384 0.858 -3.380 3.200 1602TIP3 H254385 0.971 -3.337 3.290 1602TIP3 OH254386 0.442 -3.993 3.341 1602TIP3 H154387 0.389 -4.004 3.422 1602TIP3 H254388 0.393 -4.054 3.282 1602TIP3 OH254389 0.006 -3.707 3.884 1602TIP3 H154390 -0.090 -3.716 3.867 1602TIP3 H254391 0.042 -3.728 3.796 1602TIP3 OH254392 0.566 -3.651 3.762 1602TIP3 H154393 0.525 -3.569 3.727 1602TIP3 H254394 0.633 -3.668 3.694 1602TIP3 OH254395 0.644 -3.710 4.042 1602TIP3 H154396 0.617 -3.653 3.967 1602TIP3 H254397 0.666 -3.792 3.993 1603TIP3 OH254398 0.085 -3.944 3.237 1603TIP3 H154399 0.053 -3.977 3.323 1603TIP3 H254400 0.004 -3.922 3.191 1603TIP3 OH254401 -0.551 -3.931 3.936 1603TIP3 H154402 -0.518 -3.958 4.023 1603TIP3 H254403 -0.524 -4.003 3.878 1603TIP3 OH254404 -0.416 -3.914 3.510 1603TIP3 H154405 -0.360 -3.860 3.452 1603TIP3 H254406 -0.486 -3.849 3.533 1603TIP3 OH254407 0.274 -3.940 3.983 1603TIP3 H154408 0.182 -3.959 4.006 1603TIP3 H254409 0.321 -3.975 4.060 1603TIP3 OH254410 -0.258 -3.823 3.849 1603TIP3 H154411 -0.346 -3.802 3.813 1603TIP3 H254412 -0.235 -3.908 3.805 1603TIP3 OH254413 0.100 -3.790 3.623 1603TIP3 H154414 0.197 -3.787 3.627 1603TIP3 H254415 0.077 -3.731 3.549 1603TIP3 OH254416 0.716 -4.071 4.268 1603TIP3 H154417 0.686 -4.047 4.357 1603TIP3 H254418 0.633 -4.076 4.218 1603TIP3 OH254419 -0.054 -3.671 3.397 1603TIP3 H154420 -0.111 -3.693 3.322 1603TIP3 H254421 0.029 -3.648 3.350 1603TIP3 OH254422 0.368 -3.707 4.193 1603TIP3 H154423 0.439 -3.739 4.135 1603TIP3 H254424 0.373 -3.772 4.265 1603TIP3 OH254425 -0.103 -4.067 3.788 1603TIP3 H154426 -0.148 -4.152 3.803 1603TIP3 H254427 -0.015 -4.096 3.758 1604TIP3 OH254428 0.292 -3.209 3.583 1604TIP3 H154429 0.216 -3.260 3.546 1604TIP3 H254430 0.273 -3.209 3.679 1604TIP3 OH254431 0.711 -3.929 3.342 1604TIP3 H154432 0.613 -3.938 3.346 1604TIP3 H254433 0.730 -3.863 3.411 1604TIP3 OH254434 0.776 -3.750 3.557 1604TIP3 H154435 0.862 -3.763 3.602 1604TIP3 H254436 0.785 -3.660 3.521 1604TIP3 OH254437 0.533 -3.073 3.475 1604TIP3 H154438 0.507 -2.986 3.512 1604TIP3 H254439 0.457 -3.128 3.502 1604TIP3 OH254440 1.238 -3.746 3.538 1604TIP3 H154441 1.181 -3.765 3.461 1604TIP3 H254442 1.249 -3.650 3.525 1604TIP3 OH254443 1.052 -2.885 3.545 1604TIP3 H154444 1.035 -2.960 3.603 1604TIP3 H254445 1.112 -2.921 3.478 1604TIP3 OH254446 0.765 -3.335 4.246 1604TIP3 H154447 0.677 -3.370 4.271 1604TIP3 H254448 0.806 -3.411 4.201 1604TIP3 OH254449 0.048 -2.941 3.882 1604TIP3 H154450 0.090 -2.855 3.872 1604TIP3 H254451 -0.044 -2.920 3.861 1604TIP3 OH254452 -0.355 -3.462 3.351 1604TIP3 H154453 -0.298 -3.394 3.391 1604TIP3 H254454 -0.443 -3.435 3.385 1604TIP3 OH254455 0.219 -3.181 3.858 1604TIP3 H154456 0.194 -3.087 3.863 1604TIP3 H254457 0.143 -3.224 3.899 1605TIP3 OH254458 0.089 -2.651 3.814 1605TIP3 H154459 -0.006 -2.633 3.819 1605TIP3 H254460 0.126 -2.565 3.839 1605TIP3 OH254461 0.802 -3.043 3.335 1605TIP3 H154462 0.845 -3.086 3.411 1605TIP3 H254463 0.709 -3.055 3.362 1605TIP3 OH254464 1.277 -2.616 3.389 1605TIP3 H154465 1.346 -2.551 3.368 1605TIP3 H254466 1.200 -2.557 3.392 1605TIP3 OH254467 0.898 -3.182 3.573 1605TIP3 H154468 0.872 -3.252 3.635 1605TIP3 H254469 0.995 -3.181 3.583 1605TIP3 OH254470 0.227 -2.936 3.194 1605TIP3 H154471 0.256 -3.014 3.144 1605TIP3 H254472 0.185 -2.976 3.272 1605TIP3 OH254473 0.111 -2.986 3.466 1605TIP3 H154474 0.164 -3.037 3.529 1605TIP3 H254475 0.125 -2.894 3.497 1605TIP3 OH254476 -0.205 -3.241 3.506 1605TIP3 H154477 -0.278 -3.201 3.557 1605TIP3 H254478 -0.158 -3.161 3.475 1605TIP3 OH254479 0.638 -4.057 3.630 1605TIP3 H154480 0.643 -3.996 3.556 1605TIP3 H254481 0.671 -4.003 3.703 1605TIP3 OH254482 0.404 -2.825 3.527 1605TIP3 H154483 0.325 -2.773 3.547 1605TIP3 H254484 0.443 -2.775 3.455 1605TIP3 OH254485 0.368 -3.850 3.730 1605TIP3 H154486 0.443 -3.789 3.746 1605TIP3 H254487 0.338 -3.869 3.821 1606TIP3 OH254488 0.430 -4.172 3.824 1606TIP3 H154489 0.411 -4.100 3.887 1606TIP3 H254490 0.495 -4.130 3.765 1606TIP3 OH254491 0.124 -2.715 3.528 1606TIP3 H154492 0.120 -2.635 3.472 1606TIP3 H254493 0.113 -2.679 3.618 1606TIP3 OH254494 -0.007 -4.051 3.478 1606TIP3 H154495 -0.006 -3.972 3.535 1606TIP3 H254496 0.080 -4.090 3.503 1606TIP3 OH254497 0.878 -3.572 4.137 1606TIP3 H154498 0.797 -3.618 4.109 1606TIP3 H254499 0.931 -3.647 4.172 1606TIP3 OH254500 -0.163 -2.962 3.382 1606TIP3 H154501 -0.090 -2.910 3.420 1606TIP3 H254502 -0.113 -3.010 3.313 1606TIP3 OH254503 -0.350 -3.742 3.289 1606TIP3 H154504 -0.334 -3.649 3.315 1606TIP3 H254505 -0.443 -3.738 3.265 1606TIP3 OH254506 1.015 -2.553 4.382 1606TIP3 H154507 0.996 -2.473 4.329 1606TIP3 H254508 1.060 -2.602 4.313 1606TIP3 OH254509 -0.330 -4.241 4.180 1606TIP3 H154510 -0.303 -4.242 4.088 1606TIP3 H254511 -0.300 -4.331 4.206 1606TIP3 OH254512 -0.368 -2.891 3.801 1606TIP3 H154513 -0.444 -2.836 3.822 1606TIP3 H254514 -0.326 -2.839 3.730 1606TIP3 OH254515 0.449 -2.766 3.243 1606TIP3 H154516 0.373 -2.828 3.234 1606TIP3 H254517 0.520 -2.820 3.205 1607TIP3 OH254518 0.911 -2.776 3.254 1607TIP3 H154519 0.928 -2.856 3.307 1607TIP3 H254520 0.991 -2.771 3.198 1607TIP3 OH254521 -0.010 -3.194 3.227 1607TIP3 H154522 0.009 -3.252 3.303 1607TIP3 H254523 0.077 -3.195 3.182 1607TIP3 OH254524 0.514 -3.061 3.189 1607TIP3 H154525 0.511 -3.064 3.286 1607TIP3 H254526 0.510 -3.157 3.168 1607TIP3 OH254527 0.100 -3.385 3.462 1607TIP3 H154528 0.040 -3.435 3.518 1607TIP3 H254529 0.130 -3.454 3.398 1607TIP3 OH254530 0.194 -3.584 3.286 1607TIP3 H154531 0.192 -3.574 3.189 1607TIP3 H254532 0.290 -3.588 3.303 1607TIP3 OH254533 1.147 -3.333 3.218 1607TIP3 H154534 1.135 -3.373 3.131 1607TIP3 H254535 1.136 -3.238 3.196 1607TIP3 OH254536 0.172 -2.463 3.396 1607TIP3 H154537 0.267 -2.448 3.408 1607TIP3 H254538 0.157 -2.414 3.313 1607TIP3 OH254539 -0.437 -3.022 3.355 1607TIP3 H154540 -0.342 -3.000 3.364 1607TIP3 H254541 -0.434 -3.097 3.292 1607TIP3 OH254542 -0.537 -2.501 3.823 1607TIP3 H154543 -0.609 -2.539 3.769 1607TIP3 H254544 -0.528 -2.570 3.892 1607TIP3 OH254545 -0.494 -2.701 4.018 1607TIP3 H154546 -0.535 -2.785 4.042 1607TIP3 H254547 -0.464 -2.673 4.107 1608TIP3 OH254548 1.273 -2.564 4.269 1608TIP3 H154549 1.250 -2.578 4.363 1608TIP3 H254550 1.370 -2.560 4.274 1608TIP3 OH254551 1.186 -3.195 3.613 1608TIP3 H154552 1.276 -3.162 3.630 1608TIP3 H254553 1.177 -3.258 3.687 1608TIP3 OH254554 1.235 -3.401 3.812 1608TIP3 H154555 1.165 -3.454 3.855 1608TIP3 H254556 1.301 -3.389 3.884 1608TIP3 OH254557 1.228 -3.168 4.336 1608TIP3 H154558 1.275 -3.218 4.269 1608TIP3 H254559 1.215 -3.082 4.294 1608TIP3 OH254560 1.258 -3.454 3.468 1608TIP3 H154561 1.206 -3.426 3.390 1608TIP3 H254562 1.243 -3.379 3.528 1608TIP3 OH254563 1.084 -3.698 3.294 1608TIP3 H154564 1.112 -3.638 3.224 1608TIP3 H254565 1.059 -3.778 3.244 1608TIP3 OH254566 1.023 -3.583 3.893 1608TIP3 H154567 1.017 -3.678 3.875 1608TIP3 H254568 0.987 -3.576 3.983 1608TIP3 OH254569 1.026 -3.970 3.211 1608TIP3 H154570 1.085 -4.012 3.275 1608TIP3 H254571 0.943 -4.018 3.223 1608TIP3 OH254572 1.008 -3.827 3.712 1608TIP3 H154573 1.025 -3.924 3.717 1608TIP3 H254574 1.090 -3.798 3.669 1608TIP3 OH254575 1.031 -3.776 4.219 1608TIP3 H154576 1.126 -3.773 4.235 1608TIP3 H254577 0.994 -3.785 4.309 1609TIP3 OH254578 1.039 -4.099 3.719 1609TIP3 H154579 1.057 -4.149 3.800 1609TIP3 H254580 0.976 -4.159 3.674 1609TIP3 OH254581 -0.415 -3.982 4.194 1609TIP3 H154582 -0.402 -4.079 4.199 1609TIP3 H254583 -0.349 -3.952 4.257 1609TIP3 OH254584 -0.581 -3.703 4.298 1609TIP3 H154585 -0.538 -3.749 4.225 1609TIP3 H254586 -0.533 -3.619 4.300 1609TIP3 OH254587 1.252 -4.057 3.381 1609TIP3 H154588 1.268 -4.142 3.335 1609TIP3 H254589 1.338 -4.015 3.380 1609TIP3 OH254590 -0.517 -4.110 3.685 1609TIP3 H154591 -0.613 -4.097 3.674 1609TIP3 H254592 -0.479 -4.036 3.635 1609TIP3 OH254593 0.941 -2.569 3.899 1609TIP3 H154594 0.995 -2.592 3.822 1609TIP3 H254595 1.005 -2.532 3.961 1609TIP3 OH254596 -0.335 -2.680 4.256 1609TIP3 H154597 -0.307 -2.658 4.348 1609TIP3 H254598 -0.247 -2.692 4.215 1609TIP3 OH254599 -0.121 -2.771 4.117 1609TIP3 H154600 -0.110 -2.867 4.131 1609TIP3 H254601 -0.033 -2.739 4.147 1609TIP3 OH254602 0.130 -2.707 4.213 1609TIP3 H154603 0.172 -2.790 4.186 1609TIP3 H254604 0.149 -2.707 4.307 1609TIP3 OH254605 0.469 -4.109 4.126 1609TIP3 H154606 0.408 -4.180 4.153 1609TIP3 H254607 0.537 -4.160 4.077 1610TIP3 OH254608 1.001 -4.350 4.148 1610TIP3 H154609 1.055 -4.279 4.112 1610TIP3 H254610 0.914 -4.311 4.162 1610TIP3 OH254611 1.202 -4.223 3.959 1610TIP3 H154612 1.250 -4.243 3.878 1610TIP3 H254613 1.212 -4.127 3.969 1610TIP3 OH254614 -0.292 -4.287 3.856 1610TIP3 H154615 -0.387 -4.303 3.851 1610TIP3 H254616 -0.259 -4.368 3.897 1610TIP3 OH254617 -0.438 -4.284 3.469 1610TIP3 H154618 -0.381 -4.229 3.413 1610TIP3 H254619 -0.473 -4.221 3.534 1610TIP3 OH254620 0.154 -4.235 3.889 1610TIP3 H154621 0.248 -4.232 3.868 1610TIP3 H254622 0.153 -4.287 3.970 1610TIP3 OH254623 0.687 -4.269 4.012 1610TIP3 H154624 0.751 -4.273 3.941 1610TIP3 H254625 0.711 -4.346 4.068 1610TIP3 OH254626 0.824 -4.272 3.618 1610TIP3 H154627 0.747 -4.214 3.604 1610TIP3 H254628 0.783 -4.359 3.625 1610TIP3 OH254629 -0.392 -2.697 3.596 1610TIP3 H154630 -0.454 -2.708 3.522 1610TIP3 H254631 -0.391 -2.600 3.602 1610TIP3 OH254632 -0.240 -4.110 3.315 1610TIP3 H154633 -0.169 -4.158 3.268 1610TIP3 H254634 -0.187 -4.064 3.383 1610TIP3 OH254635 0.279 -4.058 3.561 1610TIP3 H154636 0.290 -4.143 3.609 1610TIP3 H254637 0.300 -3.991 3.628 1611TIP3 OH254638 0.476 -2.514 3.406 1611TIP3 H154639 0.573 -2.511 3.401 1611TIP3 H254640 0.457 -2.579 3.336 1611TIP3 OH254641 1.128 -2.611 3.664 1611TIP3 H154642 1.103 -2.694 3.618 1611TIP3 H254643 1.122 -2.547 3.591 1611TIP3 OH254644 -0.251 -2.607 3.273 1611TIP3 H154645 -0.270 -2.572 3.361 1611TIP3 H254646 -0.168 -2.656 3.287 1611TIP3 OH254647 2.477 -3.378 3.892 1611TIP3 H154648 2.502 -3.292 3.932 1611TIP3 H254649 2.390 -3.353 3.858 1611TIP3 OH254650 2.383 -3.432 4.241 1611TIP3 H154651 2.379 -3.499 4.313 1611TIP3 H254652 2.362 -3.486 4.164 1611TIP3 OH254653 2.734 -3.155 4.035 1611TIP3 H154654 2.700 -3.222 4.097 1611TIP3 H254655 2.777 -3.100 4.104 1611TIP3 OH254656 1.698 -3.006 4.247 1611TIP3 H154657 1.670 -3.097 4.224 1611TIP3 H254658 1.793 -3.022 4.257 1611TIP3 OH254659 1.394 -3.659 3.779 1611TIP3 H154660 1.354 -3.571 3.788 1611TIP3 H254661 1.322 -3.710 3.740 1611TIP3 OH254662 1.469 -3.422 3.974 1611TIP3 H154663 1.491 -3.498 4.031 1611TIP3 H254664 1.553 -3.410 3.927 1611TIP3 OH254665 2.445 -2.614 4.111 1611TIP3 H154666 2.513 -2.679 4.085 1611TIP3 H254667 2.423 -2.642 4.201 1612TIP3 OH254668 2.190 -3.204 4.278 1612TIP3 H154669 2.237 -3.269 4.224 1612TIP3 H254670 2.268 -3.164 4.322 1612TIP3 OH254671 2.543 -3.720 4.311 1612TIP3 H154672 2.577 -3.806 4.342 1612TIP3 H254673 2.537 -3.732 4.215 1612TIP3 OH254674 1.851 -3.943 4.039 1612TIP3 H154675 1.865 -3.856 3.998 1612TIP3 H254676 1.817 -3.993 3.963 1612TIP3 OH254677 2.646 -3.902 3.872 1612TIP3 H154678 2.694 -3.957 3.938 1612TIP3 H254679 2.721 -3.879 3.813 1612TIP3 OH254680 1.555 -3.671 4.099 1612TIP3 H154681 1.585 -3.740 4.159 1612TIP3 H254682 1.548 -3.719 4.015 1612TIP3 OH254683 2.060 -3.530 4.051 1612TIP3 H154684 2.128 -3.591 4.086 1612TIP3 H254685 2.010 -3.590 3.992 1612TIP3 OH254686 2.484 -3.087 3.788 1612TIP3 H154687 2.454 -3.093 3.697 1612TIP3 H254688 2.447 -3.001 3.815 1612TIP3 OH254689 2.825 -4.009 4.071 1612TIP3 H154690 2.791 -4.066 4.142 1612TIP3 H254691 2.879 -3.949 4.126 1612TIP3 OH254692 1.774 -3.849 4.297 1612TIP3 H154693 1.754 -3.756 4.281 1612TIP3 H254694 1.768 -3.889 4.208 1612TIP3 OH254695 1.462 -3.112 3.627 1612TIP3 H154696 1.441 -3.062 3.546 1612TIP3 H254697 1.478 -3.042 3.693 1613TIP3 OH254698 2.827 -3.072 4.269 1613TIP3 H154699 2.770 -3.075 4.349 1613TIP3 H254700 2.901 -3.017 4.298 1613TIP3 OH254701 2.138 4.380 4.167 1613TIP3 H154702 2.150 4.288 4.194 1613TIP3 H254703 2.068 4.412 4.228 1613TIP3 OH254704 2.635 -2.772 3.954 1613TIP3 H154705 2.688 -2.850 3.930 1613TIP3 H254706 2.702 -2.701 3.948 1613TIP3 OH254707 2.789 -2.993 3.819 1613TIP3 H154708 2.724 -3.027 3.757 1613TIP3 H254709 2.775 -3.051 3.897 1613TIP3 OH254710 2.443 -3.597 3.394 1613TIP3 H154711 2.524 -3.571 3.349 1613TIP3 H254712 2.394 -3.635 3.319 1613TIP3 OH254713 2.683 -3.460 3.729 1613TIP3 H154714 2.647 -3.399 3.796 1613TIP3 H254715 2.768 -3.486 3.771 1613TIP3 OH254716 1.877 -3.332 3.924 1613TIP3 H154717 1.837 -3.376 3.846 1613TIP3 H254718 1.931 -3.402 3.963 1613TIP3 OH254719 1.971 -3.019 4.157 1613TIP3 H154720 1.998 -3.059 4.073 1613TIP3 H254721 2.053 -3.020 4.209 1613TIP3 OH254722 1.891 -3.455 4.268 1613TIP3 H154723 1.963 -3.459 4.203 1613TIP3 H254724 1.936 -3.422 4.347 1613TIP3 OH254725 2.351 -2.812 3.856 1613TIP3 H154726 2.403 -2.776 3.928 1613TIP3 H254727 2.305 -2.734 3.822 1614TIP3 OH254728 2.926 -4.319 3.415 1614TIP3 H154729 2.885 -4.325 3.503 1614TIP3 H254730 3.006 -4.270 3.438 1614TIP3 OH254731 1.766 -3.464 3.679 1614TIP3 H154732 1.743 -3.386 3.624 1614TIP3 H254733 1.697 -3.526 3.654 1614TIP3 OH254734 3.094 -2.868 3.312 1614TIP3 H154735 3.116 -2.773 3.315 1614TIP3 H254736 3.181 -2.909 3.326 1614TIP3 OH254737 1.385 -2.920 4.234 1614TIP3 H154738 1.481 -2.922 4.245 1614TIP3 H254739 1.359 -2.843 4.286 1614TIP3 OH254740 2.312 -2.539 3.699 1614TIP3 H154741 2.309 -2.526 3.603 1614TIP3 H254742 2.310 -2.448 3.733 1614TIP3 OH254743 1.689 -2.625 3.861 1614TIP3 H154744 1.703 -2.671 3.947 1614TIP3 H254745 1.604 -2.661 3.834 1614TIP3 OH254746 2.637 -2.595 3.416 1614TIP3 H154747 2.692 -2.662 3.371 1614TIP3 H254748 2.631 -2.633 3.506 1614TIP3 OH254749 2.577 -2.657 3.694 1614TIP3 H154750 2.483 -2.637 3.710 1614TIP3 H254751 2.594 -2.720 3.766 1614TIP3 OH254752 1.890 -4.213 4.297 1614TIP3 H154753 1.818 -4.222 4.234 1614TIP3 H254754 1.904 -4.116 4.303 1614TIP3 OH254755 2.343 -3.993 3.343 1614TIP3 H154756 2.288 -4.007 3.424 1614TIP3 H254757 2.293 -4.050 3.281 1615TIP3 OH254758 1.892 -3.705 3.884 1615TIP3 H154759 1.796 -3.712 3.870 1615TIP3 H254760 1.924 -3.727 3.795 1615TIP3 OH254761 2.507 -3.705 4.017 1615TIP3 H154762 2.522 -3.629 3.958 1615TIP3 H254763 2.552 -3.779 3.969 1615TIP3 OH254764 1.972 -3.942 3.239 1615TIP3 H154765 1.931 -3.981 3.318 1615TIP3 H254766 1.895 -3.920 3.183 1615TIP3 OH254767 1.319 -3.947 3.941 1615TIP3 H154768 1.370 -3.958 4.023 1615TIP3 H254769 1.367 -3.998 3.875 1615TIP3 OH254770 1.473 -3.911 3.514 1615TIP3 H154771 1.524 -3.860 3.448 1615TIP3 H254772 1.400 -3.847 3.532 1615TIP3 OH254773 2.164 -3.941 3.971 1615TIP3 H154774 2.071 -3.956 3.994 1615TIP3 H254775 2.208 -3.973 4.053 1615TIP3 OH254776 1.627 -3.825 3.850 1615TIP3 H154777 1.541 -3.797 3.811 1615TIP3 H254778 1.647 -3.908 3.803 1615TIP3 OH254779 1.998 -3.796 3.622 1615TIP3 H154780 2.089 -3.765 3.621 1615TIP3 H254781 1.956 -3.742 3.552 1615TIP3 OH254782 2.600 -4.070 4.267 1615TIP3 H154783 2.571 -4.045 4.357 1615TIP3 H254784 2.516 -4.078 4.219 1615TIP3 OH254785 1.839 -3.677 3.401 1615TIP3 H154786 1.776 -3.694 3.329 1615TIP3 H254787 1.918 -3.654 3.348 1616TIP3 OH254788 2.253 -3.706 4.190 1616TIP3 H154789 2.322 -3.741 4.132 1616TIP3 H254790 2.255 -3.769 4.264 1616TIP3 OH254791 1.783 -4.067 3.790 1616TIP3 H154792 1.734 -4.150 3.804 1616TIP3 H254793 1.867 -4.099 3.754 1616TIP3 OH254794 2.212 -3.252 3.595 1616TIP3 H154795 2.131 -3.277 3.546 1616TIP3 H254796 2.177 -3.225 3.682 1616TIP3 OH254797 2.601 -3.895 3.372 1616TIP3 H154798 2.505 -3.914 3.367 1616TIP3 H254799 2.609 -3.829 3.442 1616TIP3 OH254800 1.678 -3.299 4.174 1616TIP3 H154801 1.737 -3.286 4.099 1616TIP3 H254802 1.726 -3.368 4.223 1616TIP3 OH254803 2.421 -3.072 3.479 1616TIP3 H154804 2.388 -2.985 3.510 1616TIP3 H254805 2.348 -3.131 3.505 1616TIP3 OH254806 3.126 -3.743 3.544 1616TIP3 H154807 3.073 -3.776 3.470 1616TIP3 H254808 3.135 -3.648 3.523 1616TIP3 OH254809 2.920 -2.899 3.535 1616TIP3 H154810 2.934 -2.963 3.607 1616TIP3 H254811 2.997 -2.911 3.477 1616TIP3 OH254812 2.654 -3.336 4.236 1616TIP3 H154813 2.571 -3.368 4.274 1616TIP3 H254814 2.696 -3.417 4.202 1616TIP3 OH254815 1.934 -2.944 3.868 1616TIP3 H154816 1.971 -2.854 3.874 1616TIP3 H254817 1.839 -2.924 3.867 1617TIP3 OH254818 1.531 -3.464 3.353 1617TIP3 H154819 1.586 -3.393 3.390 1617TIP3 H254820 1.442 -3.436 3.383 1617TIP3 OH254821 2.112 -3.172 3.851 1617TIP3 H154822 2.080 -3.081 3.857 1617TIP3 H254823 2.036 -3.221 3.886 1617TIP3 OH254824 1.975 -2.651 3.813 1617TIP3 H154825 1.879 -2.636 3.819 1617TIP3 H254826 2.010 -2.564 3.838 1617TIP3 OH254827 2.687 -3.061 3.331 1617TIP3 H154828 2.732 -3.083 3.414 1617TIP3 H254829 2.595 -3.057 3.363 1617TIP3 OH254830 3.182 -2.599 3.359 1617TIP3 H154831 3.252 -2.530 3.355 1617TIP3 H254832 3.104 -2.541 3.362 1617TIP3 OH254833 2.783 -3.196 3.567 1617TIP3 H154834 2.763 -3.259 3.637 1617TIP3 H254835 2.877 -3.178 3.581 1617TIP3 OH254836 2.112 -2.936 3.196 1617TIP3 H154837 2.139 -3.012 3.141 1617TIP3 H254838 2.077 -2.981 3.275 1617TIP3 OH254839 2.025 -3.005 3.478 1617TIP3 H154840 2.038 -3.040 3.567 1617TIP3 H254841 2.024 -2.909 3.496 1617TIP3 OH254842 1.682 -3.240 3.507 1617TIP3 H154843 1.607 -3.203 3.557 1617TIP3 H254844 1.724 -3.158 3.474 1617TIP3 OH254845 2.515 -4.055 3.635 1617TIP3 H154846 2.539 -4.009 3.553 1617TIP3 H254847 2.568 -4.011 3.703 1618TIP3 OH254848 2.293 -2.825 3.528 1618TIP3 H154849 2.210 -2.776 3.546 1618TIP3 H254850 2.328 -2.774 3.454 1618TIP3 OH254851 2.297 -3.792 3.745 1618TIP3 H154852 2.374 -3.804 3.800 1618TIP3 H254853 2.233 -3.845 3.796 1618TIP3 OH254854 2.316 -4.173 3.829 1618TIP3 H154855 2.296 -4.099 3.888 1618TIP3 H254856 2.376 -4.132 3.763 1618TIP3 OH254857 2.008 -2.726 3.524 1618TIP3 H154858 2.003 -2.645 3.469 1618TIP3 H254859 1.995 -2.689 3.614 1618TIP3 OH254860 1.879 -4.053 3.480 1618TIP3 H154861 1.880 -3.972 3.533 1618TIP3 H254862 1.966 -4.092 3.501 1618TIP3 OH254863 2.763 -3.576 4.124 1618TIP3 H154864 2.680 -3.624 4.116 1618TIP3 H254865 2.820 -3.646 4.166 1618TIP3 OH254866 1.733 -2.967 3.388 1618TIP3 H154867 1.799 -2.902 3.418 1618TIP3 H254868 1.783 -3.011 3.317 1618TIP3 OH254869 1.537 -3.744 3.293 1618TIP3 H154870 1.549 -3.649 3.315 1618TIP3 H254871 1.450 -3.743 3.251 1618TIP3 OH254872 2.940 -2.481 4.380 1618TIP3 H154873 2.908 -2.434 4.301 1618TIP3 H254874 2.963 -2.565 4.339 1618TIP3 OH254875 1.555 -4.242 4.179 1618TIP3 H154876 1.583 -4.243 4.087 1618TIP3 H254877 1.585 -4.331 4.206 1619TIP3 OH254878 1.518 -2.892 3.797 1619TIP3 H154879 1.443 -2.839 3.827 1619TIP3 H254880 1.556 -2.836 3.729 1619TIP3 OH254881 2.336 -2.767 3.245 1619TIP3 H154882 2.260 -2.828 3.234 1619TIP3 H254883 2.406 -2.818 3.203 1619TIP3 OH254884 2.794 -2.781 3.252 1619TIP3 H154885 2.829 -2.852 3.309 1619TIP3 H254886 2.871 -2.761 3.195 1619TIP3 OH254887 1.877 -3.189 3.229 1619TIP3 H154888 1.894 -3.248 3.304 1619TIP3 H254889 1.961 -3.195 3.181 1619TIP3 OH254890 2.399 -3.058 3.188 1619TIP3 H154891 2.393 -3.062 3.285 1619TIP3 H254892 2.389 -3.153 3.166 1619TIP3 OH254893 1.987 -3.386 3.458 1619TIP3 H154894 1.921 -3.429 3.514 1619TIP3 H254895 2.010 -3.457 3.395 1619TIP3 OH254896 2.088 -3.588 3.288 1619TIP3 H154897 2.072 -3.585 3.191 1619TIP3 H254898 2.179 -3.560 3.293 1619TIP3 OH254899 2.991 -3.353 3.181 1619TIP3 H154900 3.062 -3.364 3.116 1619TIP3 H254901 2.996 -3.256 3.197 1619TIP3 OH254902 2.058 -2.465 3.395 1619TIP3 H154903 2.153 -2.448 3.409 1619TIP3 H254904 2.043 -2.414 3.315 1619TIP3 OH254905 1.450 -3.020 3.351 1619TIP3 H154906 1.545 -3.003 3.364 1619TIP3 H254907 1.451 -3.098 3.292 1620TIP3 OH254908 1.351 -2.503 3.822 1620TIP3 H154909 1.277 -2.538 3.770 1620TIP3 H254910 1.357 -2.569 3.894 1620TIP3 OH254911 1.391 -2.703 4.018 1620TIP3 H154912 1.360 -2.790 4.049 1620TIP3 H254913 1.414 -2.664 4.105 1620TIP3 OH254914 3.163 -2.598 4.268 1620TIP3 H154915 3.146 -2.591 4.364 1620TIP3 H254916 3.253 -2.563 4.265 1620TIP3 OH254917 3.070 -3.199 3.614 1620TIP3 H154918 3.159 -3.159 3.625 1620TIP3 H254919 3.069 -3.259 3.691 1620TIP3 OH254920 3.115 -3.401 3.813 1620TIP3 H154921 3.052 -3.460 3.859 1620TIP3 H254922 3.185 -3.389 3.880 1620TIP3 OH254923 3.100 -3.173 4.325 1620TIP3 H154924 3.171 -3.216 4.275 1620TIP3 H254925 3.110 -3.080 4.299 1620TIP3 OH254926 3.134 -3.456 3.465 1620TIP3 H154927 3.084 -3.417 3.392 1620TIP3 H254928 3.134 -3.383 3.529 1620TIP3 OH254929 2.923 -3.678 3.246 1620TIP3 H154930 3.007 -3.643 3.212 1620TIP3 H254931 2.938 -3.775 3.243 1620TIP3 OH254932 2.894 -3.593 3.879 1620TIP3 H154933 2.898 -3.689 3.878 1620TIP3 H254934 2.868 -3.575 3.971 1620TIP3 OH254935 1.397 -3.410 4.259 1620TIP3 H154936 1.431 -3.370 4.177 1620TIP3 H254937 1.473 -3.402 4.319 1621TIP3 OH254938 2.907 -3.961 3.223 1621TIP3 H154939 2.971 -4.016 3.272 1621TIP3 H254940 2.833 -4.022 3.210 1621TIP3 OH254941 2.844 -3.824 3.687 1621TIP3 H154942 2.881 -3.915 3.693 1621TIP3 H254943 2.922 -3.774 3.658 1621TIP3 OH254944 2.916 -3.773 4.219 1621TIP3 H154945 3.012 -3.773 4.234 1621TIP3 H254946 2.881 -3.786 4.309 1621TIP3 OH254947 2.920 -4.086 3.722 1621TIP3 H154948 2.951 -4.134 3.800 1621TIP3 H254949 2.869 -4.155 3.676 1621TIP3 OH254950 1.474 -3.981 4.188 1621TIP3 H154951 1.486 -4.079 4.197 1621TIP3 H254952 1.531 -3.951 4.259 1621TIP3 OH254953 1.309 -3.698 4.302 1621TIP3 H154954 1.351 -3.734 4.223 1621TIP3 H254955 1.336 -3.604 4.297 1621TIP3 OH254956 3.138 -4.054 3.377 1621TIP3 H154957 3.153 -4.141 3.335 1621TIP3 H254958 3.227 -4.017 3.382 1621TIP3 OH254959 1.369 -4.103 3.691 1621TIP3 H154960 1.274 -4.095 3.672 1621TIP3 H254961 1.409 -4.034 3.634 1621TIP3 OH254962 2.828 -2.573 3.897 1621TIP3 H154963 2.884 -2.594 3.821 1621TIP3 H254964 2.890 -2.531 3.958 1621TIP3 OH254965 1.531 -2.662 4.262 1621TIP3 H154966 1.565 -2.660 4.354 1621TIP3 H254967 1.614 -2.681 4.214 1622TIP3 OH254968 1.753 -2.752 4.115 1622TIP3 H154969 1.740 -2.845 4.143 1622TIP3 H254970 1.844 -2.734 4.147 1622TIP3 OH254971 2.020 -2.703 4.213 1622TIP3 H154972 2.052 -2.790 4.185 1622TIP3 H254973 2.033 -2.709 4.309 1622TIP3 OH254974 2.355 -4.108 4.125 1622TIP3 H154975 2.293 -4.177 4.154 1622TIP3 H254976 2.421 -4.161 4.076 1622TIP3 OH254977 2.889 -4.346 4.154 1622TIP3 H154978 2.941 -4.281 4.107 1622TIP3 H254979 2.800 -4.311 4.159 1622TIP3 OH254980 3.075 -4.218 3.952 1622TIP3 H154981 3.139 -4.246 3.886 1622TIP3 H254982 3.103 -4.126 3.970 1622TIP3 OH254983 1.593 -4.284 3.863 1622TIP3 H154984 1.501 -4.305 3.845 1622TIP3 H254985 1.627 -4.369 3.895 1622TIP3 OH254986 1.454 -4.290 3.488 1622TIP3 H154987 1.497 -4.241 3.416 1622TIP3 H254988 1.413 -4.218 3.539 1622TIP3 OH254989 2.043 -4.238 3.882 1622TIP3 H154990 2.140 -4.234 3.873 1622TIP3 H254991 2.033 -4.287 3.965 1622TIP3 OH254992 2.574 -4.268 4.011 1622TIP3 H154993 2.638 -4.276 3.940 1622TIP3 H254994 2.595 -4.345 4.068 1622TIP3 OH254995 2.707 -4.271 3.620 1622TIP3 H154996 2.626 -4.222 3.600 1622TIP3 H254997 2.675 -4.362 3.629 1623TIP3 OH254998 1.496 -2.697 3.592 1623TIP3 H154999 1.431 -2.707 3.521 1623TIP3 H255000 1.493 -2.601 3.603 1623TIP3 OH255001 1.643 -4.125 3.329 1623TIP3 H155002 1.714 -4.161 3.272 1623TIP3 H255003 1.695 -4.072 3.392 1623TIP3 OH255004 2.186 -4.050 3.566 1623TIP3 H155005 2.184 -4.141 3.604 1623TIP3 H255006 2.147 -3.996 3.635 1623TIP3 OH255007 2.362 -2.513 3.405 1623TIP3 H155008 2.459 -2.511 3.399 1623TIP3 H255009 2.342 -2.579 3.336 1623TIP3 OH255010 3.020 -2.611 3.651 1623TIP3 H155011 2.988 -2.691 3.606 1623TIP3 H255012 3.004 -2.543 3.582 1623TIP3 OH255013 1.637 -2.604 3.273 1623TIP3 H155014 1.614 -2.573 3.362 1623TIP3 H255015 1.717 -2.655 3.288 1623TIP3 OH255016 4.266 -3.443 4.211 1623TIP3 H155017 4.253 -3.490 4.295 1623TIP3 H255018 4.223 -3.501 4.147 1623TIP3 OH255019 3.584 -3.007 4.243 1623TIP3 H155020 3.558 -3.099 4.223 1623TIP3 H255021 3.680 -3.021 4.253 1623TIP3 OH255022 3.278 -3.665 3.779 1623TIP3 H155023 3.245 -3.574 3.790 1623TIP3 H255024 3.205 -3.707 3.731 1623TIP3 OH255025 3.352 -3.426 3.966 1623TIP3 H155026 3.376 -3.496 4.030 1623TIP3 H255027 3.439 -3.403 3.931 1624TIP3 OH255028 4.063 -3.227 4.282 1624TIP3 H155029 4.115 -3.272 4.214 1624TIP3 H255030 4.136 -3.179 4.327 1624TIP3 OH255031 3.734 -3.941 4.041 1624TIP3 H155032 3.754 -3.856 3.999 1624TIP3 H255033 3.702 -3.991 3.963 1624TIP3 OH255034 3.433 -3.674 4.100 1624TIP3 H155035 3.477 -3.737 4.157 1624TIP3 H255036 3.437 -3.719 4.014 1624TIP3 OH255037 3.944 -3.533 4.054 1624TIP3 H155038 4.016 -3.593 4.081 1624TIP3 H255039 3.895 -3.590 3.993 1624TIP3 OH255040 3.657 -3.852 4.297 1624TIP3 H155041 3.650 -3.757 4.281 1624TIP3 H255042 3.659 -3.891 4.207 1624TIP3 OH255043 3.341 -3.112 3.628 1624TIP3 H155044 3.330 -3.062 3.544 1624TIP3 H255045 3.362 -3.041 3.693 1624TIP3 OH255046 4.022 4.378 4.162 1624TIP3 H155047 4.041 4.288 4.193 1624TIP3 H255048 3.959 4.411 4.229 1624TIP3 OH255049 4.259 -3.431 3.630 1624TIP3 H155050 4.197 -3.357 3.614 1624TIP3 H255051 4.333 -3.408 3.575 1624TIP3 OH255052 4.288 -3.581 3.348 1624TIP3 H155053 4.365 -3.584 3.407 1624TIP3 H255054 4.298 -3.660 3.295 1624TIP3 OH255055 3.757 -3.337 3.928 1624TIP3 H155056 3.725 -3.380 3.847 1624TIP3 H255057 3.820 -3.401 3.963 1625TIP3 OH255058 3.856 -3.025 4.157 1625TIP3 H155059 3.889 -3.060 4.074 1625TIP3 H255060 3.936 -3.015 4.211 1625TIP3 OH255061 3.788 -3.472 4.280 1625TIP3 H155062 3.849 -3.461 4.205 1625TIP3 H255063 3.812 -3.399 4.339 1625TIP3 OH255064 4.253 -2.813 3.845 1625TIP3 H155065 4.300 -2.764 3.914 1625TIP3 H255066 4.201 -2.743 3.803 1625TIP3 OH255067 3.651 -3.463 3.681 1625TIP3 H155068 3.632 -3.386 3.624 1625TIP3 H255069 3.584 -3.526 3.652 1625TIP3 OH255070 3.269 -2.920 4.237 1625TIP3 H155071 3.365 -2.920 4.246 1625TIP3 H255072 3.245 -2.836 4.280 1625TIP3 OH255073 4.188 -2.539 3.699 1625TIP3 H155074 4.203 -2.532 3.603 1625TIP3 H255075 4.205 -2.450 3.731 1625TIP3 OH255076 3.574 -2.628 3.860 1625TIP3 H155077 3.590 -2.671 3.947 1625TIP3 H255078 3.485 -2.661 3.840 1625TIP3 OH255079 3.767 -4.210 4.304 1625TIP3 H155080 3.705 -4.218 4.231 1625TIP3 H255081 3.792 -4.116 4.305 1625TIP3 OH255082 4.226 -3.990 3.349 1625TIP3 H155083 4.160 -4.003 3.419 1625TIP3 H255084 4.191 -4.052 3.282 1625TIP3 OH255085 3.777 -3.707 3.885 1625TIP3 H155086 3.681 -3.713 3.868 1625TIP3 H255087 3.812 -3.725 3.795 1626TIP3 OH255088 4.274 -3.668 3.813 1626TIP3 H155089 4.270 -3.578 3.777 1626TIP3 H255090 4.329 -3.715 3.751 1626TIP3 OH255091 3.860 -3.935 3.238 1626TIP3 H155092 3.821 -3.978 3.316 1626TIP3 H255093 3.785 -3.926 3.178 1626TIP3 OH255094 3.197 -3.958 3.945 1626TIP3 H155095 3.254 -3.955 4.023 1626TIP3 H255096 3.255 -3.992 3.876 1626TIP3 OH255097 3.357 -3.913 3.515 1626TIP3 H155098 3.411 -3.863 3.450 1626TIP3 H255099 3.289 -3.846 3.535 1626TIP3 OH255100 4.044 -3.961 3.982 1626TIP3 H155101 3.952 -3.963 4.013 1626TIP3 H255102 4.093 -3.968 4.066 1626TIP3 OH255103 3.507 -3.827 3.854 1626TIP3 H155104 3.427 -3.797 3.808 1626TIP3 H255105 3.535 -3.907 3.805 1626TIP3 OH255106 3.867 -3.790 3.622 1626TIP3 H155107 3.964 -3.788 3.626 1626TIP3 H255108 3.845 -3.731 3.548 1626TIP3 OH255109 3.721 -3.669 3.396 1626TIP3 H155110 3.663 -3.696 3.324 1626TIP3 H255111 3.804 -3.652 3.348 1626TIP3 OH255112 4.131 -3.713 4.152 1626TIP3 H155113 4.196 -3.757 4.096 1626TIP3 H255114 4.150 -3.753 4.239 1626TIP3 OH255115 3.668 -4.066 3.792 1626TIP3 H155116 3.624 -4.152 3.803 1626TIP3 H255117 3.752 -4.091 3.750 1627TIP3 OH255118 4.073 -3.224 3.586 1627TIP3 H155119 3.994 -3.269 3.549 1627TIP3 H255120 4.050 -3.215 3.681 1627TIP3 OH255121 3.560 -3.307 4.170 1627TIP3 H155122 3.625 -3.287 4.100 1627TIP3 H255123 3.609 -3.370 4.224 1627TIP3 OH255124 4.287 -3.081 3.482 1627TIP3 H155125 4.259 -2.992 3.511 1627TIP3 H255126 4.212 -3.135 3.514 1627TIP3 OH255127 3.816 -2.944 3.870 1627TIP3 H155128 3.857 -2.856 3.875 1627TIP3 H255129 3.723 -2.921 3.866 1627TIP3 OH255130 3.417 -3.463 3.352 1627TIP3 H155131 3.479 -3.397 3.390 1627TIP3 H255132 3.332 -3.426 3.382 1627TIP3 OH255133 3.994 -3.174 3.856 1627TIP3 H155134 3.966 -3.081 3.859 1627TIP3 H255135 3.916 -3.220 3.892 1627TIP3 OH255136 3.861 -2.650 3.812 1627TIP3 H155137 3.765 -2.635 3.820 1627TIP3 H255138 3.897 -2.563 3.838 1627TIP3 OH255139 3.995 -2.933 3.195 1627TIP3 H155140 4.028 -3.009 3.144 1627TIP3 H255141 3.958 -2.977 3.273 1627TIP3 OH255142 3.887 -2.990 3.468 1627TIP3 H155143 3.934 -3.038 3.538 1627TIP3 H255144 3.897 -2.898 3.498 1627TIP3 OH255145 3.565 -3.242 3.505 1627TIP3 H155146 3.493 -3.201 3.557 1627TIP3 H255147 3.612 -3.162 3.475 1628TIP3 OH255148 4.168 -2.825 3.520 1628TIP3 H155149 4.089 -2.774 3.545 1628TIP3 H255150 4.210 -2.766 3.456 1628TIP3 OH255151 4.123 -3.874 3.731 1628TIP3 H155152 4.180 -3.799 3.759 1628TIP3 H255153 4.089 -3.899 3.819 1628TIP3 OH255154 4.194 -4.169 3.848 1628TIP3 H155155 4.175 -4.084 3.894 1628TIP3 H255156 4.271 -4.146 3.793 1628TIP3 OH255157 3.893 -2.718 3.527 1628TIP3 H155158 3.890 -2.636 3.473 1628TIP3 H255159 3.881 -2.683 3.618 1628TIP3 OH255160 3.766 -4.051 3.481 1628TIP3 H155161 3.768 -3.967 3.531 1628TIP3 H255162 3.855 -4.085 3.500 1628TIP3 OH255163 3.610 -2.962 3.382 1628TIP3 H155164 3.681 -2.909 3.422 1628TIP3 H255165 3.662 -3.011 3.316 1628TIP3 OH255166 3.422 -3.747 3.301 1628TIP3 H155167 3.438 -3.652 3.318 1628TIP3 H255168 3.347 -3.745 3.241 1628TIP3 OH255169 3.438 -4.245 4.178 1628TIP3 H155170 3.470 -4.243 4.087 1628TIP3 H255171 3.472 -4.332 4.206 1628TIP3 OH255172 3.400 -2.892 3.792 1628TIP3 H155173 3.327 -2.835 3.820 1628TIP3 H255174 3.445 -2.836 3.727 1628TIP3 OH255175 4.231 -2.768 3.224 1628TIP3 H155176 4.147 -2.819 3.227 1628TIP3 H255177 4.293 -2.842 3.211 1629TIP3 OH255178 3.762 -3.194 3.227 1629TIP3 H155179 3.781 -3.251 3.303 1629TIP3 H255180 3.848 -3.194 3.181 1629TIP3 OH255181 4.263 -3.061 3.183 1629TIP3 H155182 4.276 -3.050 3.279 1629TIP3 H255183 4.244 -3.156 3.177 1629TIP3 OH255184 3.869 -3.386 3.458 1629TIP3 H155185 3.810 -3.438 3.514 1629TIP3 H255186 3.903 -3.454 3.397 1629TIP3 OH255187 3.978 -3.585 3.290 1629TIP3 H155188 3.970 -3.578 3.193 1629TIP3 H255189 4.074 -3.574 3.302 1629TIP3 OH255190 3.957 -2.463 3.400 1629TIP3 H155191 4.053 -2.453 3.404 1629TIP3 H255192 3.938 -2.414 3.319 1629TIP3 OH255193 3.333 -3.024 3.359 1629TIP3 H155194 3.428 -2.999 3.363 1629TIP3 H255195 3.334 -3.093 3.290 1629TIP3 OH255196 3.236 -2.501 3.825 1629TIP3 H155197 3.167 -2.538 3.767 1629TIP3 H255198 3.243 -2.570 3.894 1629TIP3 OH255199 3.278 -2.705 4.016 1629TIP3 H155200 3.246 -2.791 4.048 1629TIP3 H255201 3.299 -2.666 4.103 1629TIP3 OH255202 3.283 -3.410 4.260 1629TIP3 H155203 3.319 -3.369 4.180 1629TIP3 H255204 3.358 -3.405 4.321 1629TIP3 OH255205 3.357 -3.983 4.188 1629TIP3 H155206 3.372 -4.080 4.197 1629TIP3 H255207 3.418 -3.949 4.255 1630TIP3 OH255208 3.193 -3.698 4.301 1630TIP3 H155209 3.241 -3.734 4.225 1630TIP3 H255210 3.222 -3.605 4.298 1630TIP3 OH255211 3.255 -4.105 3.688 1630TIP3 H155212 3.160 -4.089 3.674 1630TIP3 H255213 3.297 -4.034 3.634 1630TIP3 OH255214 3.427 -2.665 4.259 1630TIP3 H155215 3.456 -2.662 4.353 1630TIP3 H255216 3.513 -2.684 4.216 1630TIP3 OH255217 3.643 -2.754 4.111 1630TIP3 H155218 3.627 -2.845 4.141 1630TIP3 H255219 3.732 -2.735 4.147 1630TIP3 OH255220 3.907 -2.701 4.213 1630TIP3 H155221 3.940 -2.787 4.185 1630TIP3 H255222 3.918 -2.707 4.309 1630TIP3 OH255223 4.253 -4.129 4.132 1630TIP3 H155224 4.184 -4.192 4.157 1630TIP3 H255225 4.301 -4.178 4.065 1630TIP3 OH255226 3.477 -4.284 3.864 1630TIP3 H155227 3.386 -4.311 3.845 1630TIP3 H255228 3.517 -4.366 3.895 1630TIP3 OH255229 3.334 -4.290 3.486 1630TIP3 H155230 3.383 -4.243 3.416 1630TIP3 H255231 3.303 -4.216 3.541 1630TIP3 OH255232 3.934 -4.256 3.874 1630TIP3 H155233 4.027 -4.226 3.872 1630TIP3 H255234 3.928 -4.287 3.966 1630TIP3 OH255235 3.357 -2.696 3.577 1630TIP3 H155236 3.297 -2.696 3.501 1630TIP3 H255237 3.365 -2.601 3.592 1631TIP3 OH255238 3.528 -4.126 3.332 1631TIP3 H155239 3.598 -4.162 3.274 1631TIP3 H255240 3.582 -4.074 3.394 1631TIP3 OH255241 4.050 -4.068 3.556 1631TIP3 H155242 4.065 -4.151 3.604 1631TIP3 H255243 4.065 -4.000 3.625 1631TIP3 OH255244 4.264 -2.534 3.404 1631TIP3 H155245 4.351 -2.494 3.385 1631TIP3 H255246 4.249 -2.590 3.326 1631TIP3 OH255247 3.525 -2.604 3.279 1631TIP3 H155248 3.504 -2.573 3.368 1631TIP3 H255249 3.606 -2.655 3.292 1631TIP3 OH255250 -3.168 -1.484 3.922 1631TIP3 H155251 -3.161 -1.387 3.930 1631TIP3 H255252 -3.237 -1.492 3.856 1631TIP3 OH255253 -3.268 -1.545 4.247 1631TIP3 H155254 -3.278 -1.620 4.308 1631TIP3 H255255 -3.283 -1.586 4.161 1631TIP3 OH255256 -2.915 -1.270 4.039 1631TIP3 H155257 -2.954 -1.335 4.099 1631TIP3 H255258 -2.879 -1.209 4.107 1631TIP3 OH255259 -3.960 -1.124 4.243 1631TIP3 H155260 -3.978 -1.218 4.226 1631TIP3 H255261 -3.863 -1.132 4.254 1631TIP3 OH255262 -4.259 -1.777 3.711 1631TIP3 H155263 -4.293 -1.702 3.764 1631TIP3 H255264 -4.332 -1.837 3.725 1631TIP3 OH255265 -4.172 -1.505 4.009 1631TIP3 H155266 -4.205 -1.595 4.026 1631TIP3 H255267 -4.139 -1.515 3.919 1632TIP3 OH255268 -3.209 -0.727 4.113 1632TIP3 H155269 -3.146 -0.795 4.084 1632TIP3 H255270 -3.236 -0.758 4.201 1632TIP3 OH255271 -3.467 -1.317 4.280 1632TIP3 H155272 -3.422 -1.380 4.222 1632TIP3 H255273 -3.386 -1.278 4.322 1632TIP3 OH255274 -3.120 -1.851 4.325 1632TIP3 H155275 -3.071 -1.934 4.334 1632TIP3 H255276 -3.110 -1.831 4.230 1632TIP3 OH255277 -3.799 -2.057 4.039 1632TIP3 H155278 -3.790 -1.969 3.998 1632TIP3 H255279 -3.840 -2.106 3.965 1632TIP3 OH255280 -3.024 -2.031 3.873 1632TIP3 H155281 -2.967 -2.075 3.940 1632TIP3 H255282 -2.958 -1.999 3.810 1632TIP3 OH255283 -4.113 -1.791 4.104 1632TIP3 H155284 -4.077 -1.859 4.160 1632TIP3 H255285 -4.113 -1.835 4.018 1632TIP3 OH255286 -3.600 -1.645 4.054 1632TIP3 H155287 -3.528 -1.703 4.083 1632TIP3 H255288 -3.647 -1.704 3.992 1632TIP3 OH255289 -3.172 -1.198 3.793 1632TIP3 H155290 -3.200 -1.216 3.703 1632TIP3 H255291 -3.215 -1.113 3.811 1632TIP3 OH255292 -2.878 -2.085 4.109 1632TIP3 H155293 -2.909 -2.148 4.176 1632TIP3 H255294 -2.804 -2.044 4.158 1632TIP3 OH255295 -3.872 -1.956 4.296 1632TIP3 H155296 -3.904 -1.867 4.280 1632TIP3 H255297 -3.892 -2.004 4.214 1633TIP3 OH255298 -4.183 -1.233 3.629 1633TIP3 H155299 -4.264 -1.218 3.575 1633TIP3 H255300 -4.195 -1.169 3.701 1633TIP3 OH255301 -2.842 -1.135 4.257 1633TIP3 H155302 -2.905 -1.146 4.331 1633TIP3 H255303 -2.774 -1.081 4.298 1633TIP3 OH255304 -3.507 -2.418 4.184 1633TIP3 H155305 -3.516 -2.514 4.182 1633TIP3 H255306 -3.593 -2.390 4.221 1633TIP3 OH255307 -3.019 -0.887 3.965 1633TIP3 H155308 -2.972 -0.967 3.934 1633TIP3 H255309 -2.953 -0.818 3.945 1633TIP3 OH255310 -2.874 -1.103 3.821 1633TIP3 H155311 -2.928 -1.148 3.756 1633TIP3 H255312 -2.880 -1.165 3.897 1633TIP3 OH255313 -3.296 -1.530 3.642 1633TIP3 H155314 -3.362 -1.468 3.605 1633TIP3 H255315 -3.224 -1.523 3.577 1633TIP3 OH255316 -3.266 -1.714 3.349 1633TIP3 H155317 -3.197 -1.679 3.408 1633TIP3 H255318 -3.212 -1.766 3.288 1633TIP3 OH255319 -2.947 -1.529 3.750 1633TIP3 H155320 -3.013 -1.503 3.818 1633TIP3 H255321 -2.888 -1.586 3.803 1633TIP3 OH255322 -3.781 -1.446 3.925 1633TIP3 H155323 -3.820 -1.490 3.848 1633TIP3 H255324 -3.725 -1.515 3.963 1633TIP3 OH255325 -3.684 -1.135 4.159 1633TIP3 H155326 -3.662 -1.170 4.071 1633TIP3 H255327 -3.599 -1.138 4.206 1634TIP3 OH255328 -3.765 -1.578 4.273 1634TIP3 H155329 -3.699 -1.576 4.201 1634TIP3 H255330 -3.723 -1.525 4.342 1634TIP3 OH255331 -3.049 -1.584 3.493 1634TIP3 H155332 -3.003 -1.556 3.575 1634TIP3 H255333 -3.000 -1.533 3.425 1634TIP3 OH255334 -3.303 -0.925 3.853 1634TIP3 H155335 -3.257 -0.891 3.930 1634TIP3 H255336 -3.353 -0.848 3.822 1634TIP3 OH255337 -2.709 -2.410 3.451 1634TIP3 H155338 -2.794 -2.392 3.496 1634TIP3 H255339 -2.672 -2.321 3.441 1634TIP3 OH255340 -3.891 -1.577 3.678 1634TIP3 H155341 -3.915 -1.500 3.624 1634TIP3 H255342 -3.959 -1.641 3.655 1634TIP3 OH255343 -2.566 -0.997 3.296 1634TIP3 H155344 -2.551 -0.903 3.322 1634TIP3 H255345 -2.480 -1.037 3.317 1634TIP3 OH255346 -4.274 -1.061 4.241 1634TIP3 H155347 -4.180 -1.038 4.241 1634TIP3 H255348 -4.311 -0.982 4.284 1634TIP3 OH255349 -3.348 -0.653 3.700 1634TIP3 H155350 -3.349 -0.642 3.603 1634TIP3 H255351 -3.345 -0.561 3.732 1634TIP3 OH255352 -3.976 -0.739 3.863 1634TIP3 H155353 -3.954 -0.782 3.948 1634TIP3 H255354 -4.055 -0.790 3.839 1634TIP3 OH255355 -3.019 -0.710 3.418 1634TIP3 H155356 -2.962 -0.776 3.374 1634TIP3 H255357 -3.025 -0.748 3.508 1635TIP3 OH255358 -3.079 -0.767 3.698 1635TIP3 H155359 -3.175 -0.752 3.712 1635TIP3 H255360 -3.065 -0.840 3.761 1635TIP3 OH255361 -3.752 -2.329 4.294 1635TIP3 H155362 -3.836 -2.346 4.246 1635TIP3 H255363 -3.753 -2.233 4.304 1635TIP3 OH255364 -2.894 -1.477 3.295 1635TIP3 H155365 -2.914 -1.494 3.201 1635TIP3 H255366 -2.800 -1.452 3.289 1635TIP3 OH255367 -3.330 -2.104 3.340 1635TIP3 H155368 -3.380 -2.103 3.423 1635TIP3 H255369 -3.376 -2.173 3.291 1635TIP3 OH255370 -3.767 -1.821 3.884 1635TIP3 H155371 -3.863 -1.826 3.868 1635TIP3 H255372 -3.734 -1.842 3.794 1635TIP3 OH255373 -3.207 -1.765 3.763 1635TIP3 H155374 -3.247 -1.683 3.727 1635TIP3 H255375 -3.138 -1.781 3.697 1635TIP3 OH255376 -3.128 -1.824 4.044 1635TIP3 H155377 -3.156 -1.769 3.968 1635TIP3 H255378 -3.104 -1.906 3.996 1635TIP3 OH255379 -3.684 -2.059 3.238 1635TIP3 H155380 -3.726 -2.092 3.319 1635TIP3 H255381 -3.760 -2.035 3.183 1635TIP3 OH255382 -4.326 -2.049 3.943 1635TIP3 H155383 -4.301 -2.071 4.034 1635TIP3 H255384 -4.280 -2.116 3.893 1635TIP3 OH255385 -4.203 -2.017 3.522 1635TIP3 H155386 -4.151 -1.979 3.448 1635TIP3 H255387 -4.277 -1.955 3.526 1636TIP3 OH255388 -3.499 -2.064 3.982 1636TIP3 H155389 -3.593 -2.067 4.008 1636TIP3 H255390 -3.455 -2.082 4.066 1636TIP3 OH255391 -4.041 -1.933 3.848 1636TIP3 H155392 -4.121 -1.907 3.798 1636TIP3 H255393 -4.015 -2.016 3.805 1636TIP3 OH255394 -3.669 -1.912 3.617 1636TIP3 H155395 -3.574 -1.896 3.626 1636TIP3 H255396 -3.697 -1.847 3.549 1636TIP3 OH255397 -3.057 -2.196 4.285 1636TIP3 H155398 -3.091 -2.163 4.370 1636TIP3 H255399 -3.134 -2.188 4.225 1636TIP3 OH255400 -3.822 -1.784 3.399 1636TIP3 H155401 -3.885 -1.809 3.330 1636TIP3 H255402 -3.743 -1.763 3.347 1636TIP3 OH255403 -3.401 -1.822 4.188 1636TIP3 H155404 -3.326 -1.853 4.134 1636TIP3 H255405 -3.397 -1.882 4.263 1636TIP3 OH255406 -3.871 -2.172 3.792 1636TIP3 H155407 -3.918 -2.256 3.799 1636TIP3 H255408 -3.790 -2.197 3.745 1636TIP3 OH255409 -3.478 -1.324 3.583 1636TIP3 H155410 -3.554 -1.373 3.546 1636TIP3 H255411 -3.498 -1.321 3.679 1636TIP3 OH255412 -3.063 -2.043 3.362 1636TIP3 H155413 -3.161 -2.042 3.354 1636TIP3 H255414 -3.045 -1.967 3.421 1636TIP3 OH255415 -2.994 -1.856 3.568 1636TIP3 H155416 -2.901 -1.880 3.583 1636TIP3 H255417 -2.986 -1.768 3.525 1637TIP3 OH255418 -3.975 -1.395 4.183 1637TIP3 H155419 -3.926 -1.400 4.100 1637TIP3 H255420 -3.948 -1.479 4.224 1637TIP3 OH255421 -3.238 -1.188 3.477 1637TIP3 H155422 -3.264 -1.101 3.513 1637TIP3 H255423 -3.315 -1.242 3.503 1637TIP3 OH255424 -2.535 -1.864 3.537 1637TIP3 H155425 -2.591 -1.879 3.459 1637TIP3 H255426 -2.522 -1.767 3.527 1637TIP3 OH255427 -2.717 -0.998 3.546 1637TIP3 H155428 -2.737 -1.074 3.603 1637TIP3 H255429 -2.659 -1.036 3.479 1637TIP3 OH255430 -3.002 -1.448 4.247 1637TIP3 H155431 -3.092 -1.479 4.268 1637TIP3 H255432 -2.965 -1.526 4.202 1637TIP3 OH255433 -3.725 -1.058 3.873 1637TIP3 H155434 -3.686 -0.969 3.874 1637TIP3 H255435 -3.819 -1.037 3.863 1637TIP3 OH255436 -4.151 -1.560 3.360 1637TIP3 H155437 -4.083 -1.500 3.397 1637TIP3 H255438 -4.231 -1.515 3.390 1637TIP3 OH255439 -3.544 -1.287 3.862 1637TIP3 H155440 -3.577 -1.196 3.862 1637TIP3 H255441 -3.622 -1.336 3.893 1637TIP3 OH255442 -3.681 -0.765 3.812 1637TIP3 H155443 -3.777 -0.752 3.819 1637TIP3 H255444 -3.647 -0.677 3.839 1637TIP3 OH255445 -2.967 -1.156 3.336 1637TIP3 H155446 -2.927 -1.201 3.412 1637TIP3 H255447 -3.061 -1.169 3.359 1638TIP3 OH255448 -2.495 -0.730 3.390 1638TIP3 H155449 -2.425 -0.666 3.369 1638TIP3 H255450 -2.572 -0.670 3.390 1638TIP3 OH255451 -2.872 -1.295 3.574 1638TIP3 H155452 -2.899 -1.366 3.635 1638TIP3 H255453 -2.775 -1.296 3.583 1638TIP3 OH255454 -3.540 -1.047 3.201 1638TIP3 H155455 -3.521 -1.121 3.139 1638TIP3 H255456 -3.588 -1.093 3.272 1638TIP3 OH255457 -3.661 -1.100 3.467 1638TIP3 H155458 -3.611 -1.151 3.532 1638TIP3 H255459 -3.648 -1.008 3.497 1638TIP3 OH255460 -3.984 -1.359 3.503 1638TIP3 H155461 -4.056 -1.317 3.556 1638TIP3 H255462 -3.938 -1.277 3.474 1638TIP3 OH255463 -3.143 -2.170 3.630 1638TIP3 H155464 -3.124 -2.115 3.552 1638TIP3 H255465 -3.101 -2.118 3.701 1638TIP3 OH255466 -3.364 -0.936 3.529 1638TIP3 H155467 -3.447 -0.889 3.545 1638TIP3 H255468 -3.331 -0.892 3.449 1638TIP3 OH255469 -3.402 -1.967 3.726 1638TIP3 H155470 -3.328 -1.906 3.742 1638TIP3 H255471 -3.435 -1.984 3.816 1638TIP3 OH255472 -3.349 -2.269 3.820 1638TIP3 H155473 -3.366 -2.201 3.888 1638TIP3 H255474 -3.274 -2.228 3.772 1638TIP3 OH255475 -3.645 -0.829 3.526 1638TIP3 H155476 -3.651 -0.747 3.472 1638TIP3 H255477 -3.660 -0.796 3.616 1639TIP3 OH255478 -3.772 -2.164 3.481 1639TIP3 H155479 -3.775 -2.082 3.533 1639TIP3 H255480 -3.686 -2.200 3.510 1639TIP3 OH255481 -2.897 -1.689 4.146 1639TIP3 H155482 -2.974 -1.737 4.110 1639TIP3 H255483 -2.839 -1.763 4.175 1639TIP3 OH255484 -3.932 -1.075 3.385 1639TIP3 H155485 -3.855 -1.030 3.423 1639TIP3 H255486 -3.888 -1.126 3.316 1639TIP3 OH255487 -4.115 -1.858 3.302 1639TIP3 H155488 -4.110 -1.762 3.316 1639TIP3 H255489 -4.194 -1.869 3.247 1639TIP3 OH255490 -2.764 -0.706 4.317 1639TIP3 H155491 -2.828 -0.720 4.246 1639TIP3 H255492 -2.681 -0.741 4.284 1639TIP3 OH255493 -4.019 -2.374 4.167 1639TIP3 H155494 -4.058 -2.362 4.078 1639TIP3 H255495 -4.076 -2.443 4.205 1639TIP3 OH255496 -4.138 -0.992 3.803 1639TIP3 H155497 -4.230 -0.961 3.801 1639TIP3 H255498 -4.105 -0.959 3.718 1639TIP3 OH255499 -3.321 -0.882 3.247 1639TIP3 H155500 -3.400 -0.940 3.235 1639TIP3 H255501 -3.253 -0.938 3.206 1639TIP3 OH255502 -2.859 -0.890 3.255 1639TIP3 H155503 -2.845 -0.970 3.307 1639TIP3 H255504 -2.779 -0.887 3.199 1639TIP3 OH255505 -3.781 -1.304 3.230 1639TIP3 H155506 -3.760 -1.366 3.302 1639TIP3 H255507 -3.698 -1.307 3.178 1640TIP3 OH255508 -3.250 -1.175 3.189 1640TIP3 H155509 -3.263 -1.178 3.285 1640TIP3 H255510 -3.260 -1.270 3.167 1640TIP3 OH255511 -3.670 -1.501 3.463 1640TIP3 H155512 -3.734 -1.549 3.518 1640TIP3 H255513 -3.644 -1.569 3.399 1640TIP3 OH255514 -3.577 -1.700 3.284 1640TIP3 H155515 -3.580 -1.686 3.188 1640TIP3 H255516 -3.480 -1.700 3.301 1640TIP3 OH255517 -2.625 -1.446 3.220 1640TIP3 H155518 -2.633 -1.489 3.134 1640TIP3 H255519 -2.635 -1.352 3.195 1640TIP3 OH255520 -3.600 -0.577 3.393 1640TIP3 H155521 -3.505 -0.564 3.406 1640TIP3 H255522 -3.613 -0.532 3.309 1640TIP3 OH255523 -4.198 -1.082 3.295 1640TIP3 H155524 -4.125 -1.088 3.359 1640TIP3 H255525 -4.218 -1.174 3.275 1640TIP3 OH255526 -4.273 -0.799 4.018 1640TIP3 H155527 -4.273 -0.893 4.042 1640TIP3 H255528 -4.245 -0.760 4.102 1640TIP3 OH255529 -2.491 -0.671 4.272 1640TIP3 H155530 -2.512 -0.685 4.366 1640TIP3 H255531 -2.394 -0.675 4.276 1640TIP3 OH255532 -2.586 -1.309 3.614 1640TIP3 H155533 -2.495 -1.276 3.629 1640TIP3 H255534 -2.594 -1.372 3.687 1640TIP3 OH255535 -2.537 -1.515 3.814 1640TIP3 H155536 -2.603 -1.571 3.859 1640TIP3 H255537 -2.468 -1.503 3.883 1641TIP3 OH255538 -2.568 -1.281 4.328 1641TIP3 H155539 -2.505 -1.334 4.278 1641TIP3 H255540 -2.561 -1.194 4.288 1641TIP3 OH255541 -2.510 -1.568 3.467 1641TIP3 H155542 -2.562 -1.540 3.390 1641TIP3 H255543 -2.523 -1.493 3.527 1641TIP3 OH255544 -2.690 -1.811 3.295 1641TIP3 H155545 -2.661 -1.753 3.224 1641TIP3 H255546 -2.711 -1.894 3.248 1641TIP3 OH255547 -2.746 -1.704 3.905 1641TIP3 H155548 -2.755 -1.799 3.904 1641TIP3 H255549 -2.782 -1.681 3.993 1641TIP3 OH255550 -2.740 -2.076 3.217 1641TIP3 H155551 -2.679 -2.126 3.274 1641TIP3 H255552 -2.819 -2.133 3.212 1641TIP3 OH255553 -2.754 -2.037 3.668 1641TIP3 H155554 -2.728 -2.092 3.744 1641TIP3 H255555 -2.671 -1.993 3.642 1641TIP3 OH255556 -2.731 -1.883 4.227 1641TIP3 H155557 -2.635 -1.877 4.240 1641TIP3 H255558 -2.764 -1.878 4.319 1641TIP3 OH255559 -2.871 -2.655 3.655 1641TIP3 H155560 -2.829 -2.623 3.737 1641TIP3 H255561 -2.891 -2.571 3.612 1641TIP3 OH255562 -4.165 -2.080 4.194 1641TIP3 H155563 -4.174 -2.175 4.210 1641TIP3 H255564 -4.112 -2.054 4.269 1641TIP3 OH255565 -4.338 -1.824 4.317 1641TIP3 H155566 -4.311 -1.871 4.236 1641TIP3 H255567 -4.295 -1.738 4.306 1642TIP3 OH255568 -2.516 -2.182 3.373 1642TIP3 H155569 -2.483 -2.263 3.330 1642TIP3 H255570 -2.435 -2.130 3.384 1642TIP3 OH255571 -4.315 -2.228 3.648 1642TIP3 H155572 -4.400 -2.199 3.612 1642TIP3 H255573 -4.256 -2.157 3.612 1642TIP3 OH255574 -2.826 -0.684 3.907 1642TIP3 H155575 -2.784 -0.708 3.823 1642TIP3 H255576 -2.754 -0.635 3.950 1642TIP3 OH255577 -4.157 -0.785 4.267 1642TIP3 H155578 -4.131 -0.772 4.360 1642TIP3 H255579 -4.068 -0.785 4.227 1642TIP3 OH255580 -3.909 -0.863 4.115 1642TIP3 H155581 -3.921 -0.956 4.144 1642TIP3 H255582 -3.819 -0.843 4.149 1642TIP3 OH255583 -3.636 -0.817 4.212 1642TIP3 H155584 -3.608 -0.904 4.183 1642TIP3 H255585 -3.625 -0.825 4.308 1642TIP3 OH255586 -3.298 -2.219 4.131 1642TIP3 H155587 -3.361 -2.290 4.155 1642TIP3 H255588 -3.233 -2.267 4.077 1642TIP3 OH255589 -2.802 -2.438 4.157 1642TIP3 H155590 -2.725 -2.380 4.144 1642TIP3 H255591 -2.878 -2.387 4.126 1642TIP3 OH255592 -2.549 -2.310 3.995 1642TIP3 H155593 -2.507 -2.364 3.925 1642TIP3 H255594 -2.519 -2.220 3.973 1642TIP3 OH255595 -4.105 -2.369 3.884 1642TIP3 H155596 -4.180 -2.397 3.830 1642TIP3 H255597 -4.045 -2.446 3.876 1643TIP3 OH255598 -4.182 -2.407 3.467 1643TIP3 H155599 -4.132 -2.339 3.418 1643TIP3 H255600 -4.233 -2.352 3.529 1643TIP3 OH255601 -3.609 -2.387 3.886 1643TIP3 H155602 -3.523 -2.344 3.874 1643TIP3 H255603 -3.615 -2.392 3.982 1643TIP3 OH255604 -3.048 -2.368 4.009 1643TIP3 H155605 -3.031 -2.389 3.916 1643TIP3 H255606 -3.088 -2.451 4.041 1643TIP3 OH255607 -2.962 -2.394 3.599 1643TIP3 H155608 -3.018 -2.313 3.598 1643TIP3 H255609 -3.024 -2.458 3.638 1643TIP3 OH255610 -4.186 -0.807 3.572 1643TIP3 H155611 -4.250 -0.827 3.503 1643TIP3 H255612 -4.186 -0.710 3.572 1643TIP3 OH255613 -4.007 -2.221 3.320 1643TIP3 H155614 -3.947 -2.277 3.268 1643TIP3 H255615 -3.948 -2.190 3.391 1643TIP3 OH255616 -3.504 -2.220 3.580 1643TIP3 H155617 -3.464 -2.270 3.653 1643TIP3 H255618 -3.484 -2.130 3.609 1643TIP3 OH255619 -3.295 -0.626 3.404 1643TIP3 H155620 -3.197 -0.627 3.401 1643TIP3 H255621 -3.315 -0.693 3.337 1643TIP3 OH255622 -2.646 -0.725 3.664 1643TIP3 H155623 -2.668 -0.809 3.620 1643TIP3 H255624 -2.648 -0.663 3.589 1643TIP3 OH255625 -4.014 -0.703 3.272 1643TIP3 H155626 -4.040 -0.693 3.364 1643TIP3 H255627 -3.946 -0.773 3.277 1644TIP3 OH255628 -1.282 -1.483 3.924 1644TIP3 H155629 -1.276 -1.386 3.928 1644TIP3 H255630 -1.350 -1.495 3.856 1644TIP3 OH255631 -1.384 -1.543 4.247 1644TIP3 H155632 -1.391 -1.618 4.309 1644TIP3 H255633 -1.397 -1.587 4.161 1644TIP3 OH255634 -1.029 -1.267 4.037 1644TIP3 H155635 -1.069 -1.336 4.093 1644TIP3 H255636 -0.996 -1.208 4.109 1644TIP3 OH255637 -2.074 -1.121 4.246 1644TIP3 H155638 -2.100 -1.213 4.223 1644TIP3 H255639 -1.978 -1.136 4.258 1644TIP3 OH255640 -2.379 -1.773 3.777 1644TIP3 H155641 -2.419 -1.685 3.786 1644TIP3 H255642 -2.450 -1.823 3.736 1644TIP3 OH255643 -2.302 -1.537 3.975 1644TIP3 H155644 -2.280 -1.615 4.028 1644TIP3 H255645 -2.219 -1.524 3.927 1644TIP3 OH255646 -1.322 -0.727 4.114 1644TIP3 H155647 -1.260 -0.796 4.084 1644TIP3 H255648 -1.352 -0.759 4.201 1644TIP3 OH255649 -1.580 -1.314 4.278 1644TIP3 H155650 -1.537 -1.382 4.223 1644TIP3 H255651 -1.500 -1.278 4.321 1644TIP3 OH255652 -1.230 -1.840 4.323 1644TIP3 H155653 -1.191 -1.927 4.341 1644TIP3 H255654 -1.226 -1.835 4.225 1644TIP3 OH255655 -1.922 -2.053 4.043 1644TIP3 H155656 -1.903 -1.970 3.996 1644TIP3 H255657 -1.952 -2.108 3.968 1645TIP3 OH255658 -1.129 -2.031 3.871 1645TIP3 H155659 -1.074 -2.077 3.938 1645TIP3 H255660 -1.061 -1.990 3.816 1645TIP3 OH255661 -2.223 -1.787 4.100 1645TIP3 H155662 -2.180 -1.851 4.156 1645TIP3 H255663 -2.221 -1.833 4.014 1645TIP3 OH255664 -1.717 -1.646 4.056 1645TIP3 H155665 -1.641 -1.701 4.083 1645TIP3 H255666 -1.761 -1.704 3.991 1645TIP3 OH255667 -1.281 -1.193 3.791 1645TIP3 H155668 -1.318 -1.221 3.706 1645TIP3 H255669 -1.331 -1.111 3.810 1645TIP3 OH255670 -0.949 -2.115 4.072 1645TIP3 H155671 -0.983 -2.175 4.140 1645TIP3 H255672 -0.897 -2.055 4.129 1645TIP3 OH255673 -1.997 -1.962 4.298 1645TIP3 H155674 -2.011 -1.870 4.275 1645TIP3 H255675 -2.000 -2.009 4.212 1645TIP3 OH255676 -2.311 -1.226 3.627 1645TIP3 H155677 -2.329 -1.176 3.546 1645TIP3 H255678 -2.293 -1.156 3.693 1645TIP3 OH255679 -0.958 -1.132 4.258 1645TIP3 H155680 -1.018 -1.152 4.333 1645TIP3 H255681 -0.881 -1.097 4.304 1645TIP3 OH255682 -1.622 -2.417 4.178 1645TIP3 H155683 -1.626 -2.514 4.186 1645TIP3 H255684 -1.705 -2.391 4.222 1645TIP3 OH255685 -1.133 -0.888 3.969 1645TIP3 H155686 -1.088 -0.968 3.936 1645TIP3 H255687 -1.070 -0.818 3.945 1646TIP3 OH255688 -0.988 -1.101 3.819 1646TIP3 H155689 -1.044 -1.149 3.757 1646TIP3 H255690 -0.993 -1.162 3.896 1646TIP3 OH255691 -1.409 -1.526 3.644 1646TIP3 H155692 -1.476 -1.470 3.600 1646TIP3 H255693 -1.338 -1.527 3.577 1646TIP3 OH255694 -1.382 -1.710 3.348 1646TIP3 H155695 -1.310 -1.679 3.407 1646TIP3 H255696 -1.333 -1.768 3.289 1646TIP3 OH255697 -1.060 -1.527 3.750 1646TIP3 H155698 -1.126 -1.507 3.819 1646TIP3 H255699 -0.998 -1.585 3.799 1646TIP3 OH255700 -1.897 -1.448 3.924 1646TIP3 H155701 -1.934 -1.493 3.846 1646TIP3 H255702 -1.840 -1.516 3.964 1646TIP3 OH255703 -1.797 -1.130 4.155 1646TIP3 H155704 -1.775 -1.174 4.073 1646TIP3 H255705 -1.717 -1.141 4.208 1646TIP3 OH255706 -1.880 -1.561 4.270 1646TIP3 H155707 -1.812 -1.580 4.201 1646TIP3 H255708 -1.826 -1.544 4.348 1646TIP3 OH255709 -1.165 -1.581 3.494 1646TIP3 H155710 -1.116 -1.558 3.575 1646TIP3 H255711 -1.114 -1.532 3.425 1646TIP3 OH255712 -1.414 -0.923 3.852 1646TIP3 H155713 -1.373 -0.890 3.932 1646TIP3 H255714 -1.467 -0.847 3.822 1646TIP3 OH255715 -0.819 -2.411 3.445 1646TIP3 H155716 -0.907 -2.401 3.486 1646TIP3 H255717 -0.784 -2.320 3.449 1647TIP3 OH255718 -2.009 -1.575 3.683 1647TIP3 H155719 -2.028 -1.502 3.622 1647TIP3 H255720 -2.069 -1.643 3.653 1647TIP3 OH255721 -0.679 -0.992 3.303 1647TIP3 H155722 -0.657 -0.898 3.317 1647TIP3 H255723 -0.592 -1.035 3.313 1647TIP3 OH255724 -2.388 -1.033 4.237 1647TIP3 H155725 -2.291 -1.040 4.243 1647TIP3 H255726 -2.406 -0.953 4.287 1647TIP3 OH255727 -1.460 -0.652 3.700 1647TIP3 H155728 -1.464 -0.642 3.603 1647TIP3 H255729 -1.461 -0.561 3.732 1647TIP3 OH255730 -2.083 -0.738 3.863 1647TIP3 H155731 -2.068 -0.785 3.947 1647TIP3 H255732 -2.166 -0.778 3.834 1647TIP3 OH255733 -1.132 -0.709 3.418 1647TIP3 H155734 -1.076 -0.776 3.373 1647TIP3 H255735 -1.142 -0.749 3.507 1647TIP3 OH255736 -1.192 -0.769 3.699 1647TIP3 H155737 -1.287 -0.750 3.710 1647TIP3 H255738 -1.183 -0.843 3.761 1647TIP3 OH255739 -1.862 -2.324 4.290 1647TIP3 H155740 -1.944 -2.344 4.243 1647TIP3 H255741 -1.869 -2.229 4.308 1647TIP3 OH255742 -1.007 -1.472 3.296 1647TIP3 H155743 -1.030 -1.493 3.204 1647TIP3 H255744 -0.911 -1.454 3.287 1647TIP3 OH255745 -1.446 -2.099 3.346 1647TIP3 H155746 -1.493 -2.115 3.428 1647TIP3 H255747 -1.485 -2.167 3.289 1648TIP3 OH255748 -1.879 -1.819 3.883 1648TIP3 H155749 -1.975 -1.830 3.867 1648TIP3 H255750 -1.844 -1.843 3.795 1648TIP3 OH255751 -1.320 -1.763 3.765 1648TIP3 H155752 -1.362 -1.683 3.727 1648TIP3 H255753 -1.252 -1.783 3.698 1648TIP3 OH255754 -1.241 -1.824 4.042 1648TIP3 H155755 -1.269 -1.770 3.966 1648TIP3 H255756 -1.219 -1.907 3.995 1648TIP3 OH255757 -1.801 -2.050 3.236 1648TIP3 H155758 -1.836 -2.088 3.319 1648TIP3 H255759 -1.881 -2.042 3.182 1648TIP3 OH255760 -2.454 -2.061 3.940 1648TIP3 H155761 -2.399 -2.066 4.021 1648TIP3 H255762 -2.399 -2.103 3.872 1648TIP3 OH255763 -2.298 -2.024 3.512 1648TIP3 H155764 -2.242 -1.976 3.447 1648TIP3 H255765 -2.367 -1.957 3.530 1648TIP3 OH255766 -1.611 -2.055 3.986 1648TIP3 H155767 -1.704 -2.072 4.007 1648TIP3 H255768 -1.566 -2.088 4.065 1648TIP3 OH255769 -2.148 -1.938 3.854 1648TIP3 H155770 -2.229 -1.913 3.807 1648TIP3 H255771 -2.118 -2.018 3.806 1648TIP3 OH255772 -1.785 -1.904 3.623 1648TIP3 H155773 -1.688 -1.900 3.627 1648TIP3 H255774 -1.808 -1.847 3.548 1648TIP3 OH255775 -1.168 -2.182 4.273 1648TIP3 H155776 -1.204 -2.166 4.361 1648TIP3 H255777 -1.247 -2.193 4.219 1649TIP3 OH255778 -1.940 -1.780 3.399 1649TIP3 H155779 -1.998 -1.812 3.329 1649TIP3 H255780 -1.858 -1.762 3.349 1649TIP3 OH255781 -1.515 -1.819 4.194 1649TIP3 H155782 -1.447 -1.855 4.134 1649TIP3 H255783 -1.514 -1.886 4.264 1649TIP3 OH255784 -1.973 -2.166 3.785 1649TIP3 H155785 -2.032 -2.242 3.800 1649TIP3 H255786 -1.893 -2.208 3.750 1649TIP3 OH255787 -1.595 -1.321 3.582 1649TIP3 H155788 -1.669 -1.374 3.546 1649TIP3 H255789 -1.612 -1.323 3.678 1649TIP3 OH255790 -1.177 -2.042 3.361 1649TIP3 H155791 -1.275 -2.043 3.356 1649TIP3 H255792 -1.158 -1.967 3.421 1649TIP3 OH255793 -1.109 -1.857 3.566 1649TIP3 H155794 -1.021 -1.875 3.604 1649TIP3 H255795 -1.095 -1.772 3.520 1649TIP3 OH255796 -2.093 -1.412 4.175 1649TIP3 H155797 -2.035 -1.401 4.098 1649TIP3 H255798 -2.043 -1.481 4.223 1649TIP3 OH255799 -1.352 -1.187 3.474 1649TIP3 H155800 -1.380 -1.101 3.513 1649TIP3 H255801 -1.426 -1.244 3.501 1649TIP3 OH255802 -0.651 -1.861 3.540 1649TIP3 H155803 -0.704 -1.881 3.461 1649TIP3 H255804 -0.638 -1.765 3.525 1649TIP3 OH255805 -0.795 -0.998 3.561 1649TIP3 H155806 -0.850 -1.068 3.602 1649TIP3 H255807 -0.786 -1.032 3.470 1650TIP3 OH255808 -1.117 -1.448 4.247 1650TIP3 H155809 -1.206 -1.480 4.267 1650TIP3 H255810 -1.078 -1.525 4.200 1650TIP3 OH255811 -1.840 -1.058 3.869 1650TIP3 H155812 -1.800 -0.970 3.874 1650TIP3 H255813 -1.934 -1.037 3.865 1650TIP3 OH255814 -2.241 -1.576 3.350 1650TIP3 H155815 -2.183 -1.509 3.390 1650TIP3 H255816 -2.328 -1.551 3.386 1650TIP3 OH255817 -1.657 -1.286 3.864 1650TIP3 H155818 -1.694 -1.196 3.861 1650TIP3 H255819 -1.734 -1.337 3.893 1650TIP3 OH255820 -1.796 -0.764 3.812 1650TIP3 H155821 -1.891 -0.751 3.820 1650TIP3 H255822 -1.762 -0.676 3.839 1650TIP3 OH255823 -1.079 -1.150 3.340 1650TIP3 H155824 -1.042 -1.207 3.411 1650TIP3 H255825 -1.173 -1.166 3.357 1650TIP3 OH255826 -0.581 -0.746 3.416 1650TIP3 H155827 -0.509 -0.686 3.387 1650TIP3 H255828 -0.657 -0.686 3.399 1650TIP3 OH255829 -0.981 -1.289 3.575 1650TIP3 H155830 -1.015 -1.362 3.629 1650TIP3 H255831 -0.885 -1.298 3.587 1650TIP3 OH255832 -1.658 -1.051 3.195 1650TIP3 H155833 -1.632 -1.129 3.143 1650TIP3 H255834 -1.702 -1.092 3.271 1650TIP3 OH255835 -1.775 -1.099 3.465 1650TIP3 H155836 -1.725 -1.153 3.527 1650TIP3 H255837 -1.760 -1.008 3.499 1651TIP3 OH255838 -2.091 -1.355 3.504 1651TIP3 H155839 -2.163 -1.317 3.557 1651TIP3 H255840 -2.043 -1.275 3.477 1651TIP3 OH255841 -1.261 -2.163 3.633 1651TIP3 H155842 -1.241 -2.112 3.553 1651TIP3 H255843 -1.215 -2.113 3.702 1651TIP3 OH255844 -1.478 -0.935 3.529 1651TIP3 H155845 -1.562 -0.888 3.545 1651TIP3 H255846 -1.446 -0.891 3.448 1651TIP3 OH255847 -1.521 -1.963 3.727 1651TIP3 H155848 -1.443 -1.906 3.744 1651TIP3 H255849 -1.550 -1.983 3.818 1651TIP3 OH255850 -1.462 -2.264 3.819 1651TIP3 H155851 -1.476 -2.199 3.890 1651TIP3 H255852 -1.388 -2.223 3.770 1651TIP3 OH255853 -1.758 -0.829 3.528 1651TIP3 H155854 -1.766 -0.748 3.474 1651TIP3 H255855 -1.773 -0.795 3.618 1651TIP3 OH255856 -1.888 -2.162 3.473 1651TIP3 H155857 -1.887 -2.089 3.537 1651TIP3 H255858 -1.809 -2.212 3.500 1651TIP3 OH255859 -1.010 -1.685 4.138 1651TIP3 H155860 -1.089 -1.733 4.108 1651TIP3 H255861 -0.954 -1.759 4.172 1651TIP3 OH255862 -2.048 -1.074 3.380 1651TIP3 H155863 -1.973 -1.027 3.421 1651TIP3 H255864 -1.999 -1.125 3.314 1651TIP3 OH255865 -2.233 -1.856 3.294 1651TIP3 H155866 -2.221 -1.762 3.316 1651TIP3 H255867 -2.319 -1.856 3.251 1652TIP3 OH255868 -0.878 -0.688 4.279 1652TIP3 H155869 -0.959 -0.736 4.265 1652TIP3 H255870 -0.812 -0.754 4.302 1652TIP3 OH255871 -2.169 -2.312 4.179 1652TIP3 H155872 -2.163 -2.320 4.082 1652TIP3 H255873 -2.163 -2.408 4.199 1652TIP3 OH255874 -2.253 -1.006 3.799 1652TIP3 H155875 -2.329 -0.952 3.825 1652TIP3 H255876 -2.214 -0.951 3.728 1652TIP3 OH255877 -1.436 -0.882 3.246 1652TIP3 H155878 -1.513 -0.942 3.234 1652TIP3 H255879 -1.366 -0.935 3.206 1652TIP3 OH255880 -0.970 -0.887 3.264 1652TIP3 H155881 -0.968 -0.980 3.294 1652TIP3 H255882 -0.899 -0.886 3.197 1652TIP3 OH255883 -1.894 -1.306 3.227 1652TIP3 H155884 -1.878 -1.367 3.302 1652TIP3 H255885 -1.809 -1.312 3.181 1652TIP3 OH255886 -1.368 -1.174 3.190 1652TIP3 H155887 -1.377 -1.180 3.286 1652TIP3 H255888 -1.374 -1.270 3.167 1652TIP3 OH255889 -1.784 -1.499 3.463 1652TIP3 H155890 -1.847 -1.551 3.516 1652TIP3 H255891 -1.755 -1.566 3.398 1652TIP3 OH255892 -1.690 -1.696 3.288 1652TIP3 H155893 -1.695 -1.692 3.191 1652TIP3 H255894 -1.594 -1.702 3.302 1652TIP3 OH255895 -0.741 -1.445 3.220 1652TIP3 H155896 -0.744 -1.493 3.135 1652TIP3 H255897 -0.750 -1.352 3.189 1653TIP3 OH255898 -1.714 -0.574 3.397 1653TIP3 H155899 -1.619 -0.563 3.408 1653TIP3 H255900 -1.728 -0.532 3.311 1653TIP3 OH255901 -2.323 -1.134 3.350 1653TIP3 H155902 -2.227 -1.116 3.363 1653TIP3 H255903 -2.320 -1.214 3.293 1653TIP3 OH255904 -2.419 -0.618 3.821 1653TIP3 H155905 -2.494 -0.654 3.770 1653TIP3 H255906 -2.412 -0.683 3.893 1653TIP3 OH255907 -2.383 -0.816 4.019 1653TIP3 H155908 -2.410 -0.905 4.048 1653TIP3 H255909 -2.357 -0.779 4.105 1653TIP3 OH255910 -0.593 -0.661 4.270 1653TIP3 H155911 -0.623 -0.682 4.360 1653TIP3 H255912 -0.498 -0.679 4.278 1653TIP3 OH255913 -0.690 -1.305 3.614 1653TIP3 H155914 -0.599 -1.280 3.639 1653TIP3 H255915 -0.708 -1.371 3.684 1653TIP3 OH255916 -0.652 -1.510 3.813 1653TIP3 H155917 -0.720 -1.567 3.853 1653TIP3 H255918 -0.584 -1.505 3.884 1653TIP3 OH255919 -0.683 -1.279 4.327 1653TIP3 H155920 -0.620 -1.336 4.282 1653TIP3 H255921 -0.668 -1.193 4.286 1653TIP3 OH255922 -0.632 -1.570 3.470 1653TIP3 H155923 -0.681 -1.543 3.390 1653TIP3 H255924 -0.641 -1.491 3.526 1653TIP3 OH255925 -0.803 -1.810 3.295 1653TIP3 H155926 -0.773 -1.755 3.221 1653TIP3 H255927 -0.826 -1.894 3.250 1654TIP3 OH255928 -0.865 -1.698 3.891 1654TIP3 H155929 -0.867 -1.794 3.876 1654TIP3 H255930 -0.899 -1.691 3.982 1654TIP3 OH255931 -2.377 -1.512 4.263 1654TIP3 H155932 -2.340 -1.485 4.177 1654TIP3 H255933 -2.298 -1.515 4.318 1654TIP3 OH255934 -0.857 -2.076 3.219 1654TIP3 H155935 -0.797 -2.128 3.274 1654TIP3 H255936 -0.935 -2.132 3.209 1654TIP3 OH255937 -0.873 -1.950 3.711 1654TIP3 H155938 -0.850 -2.045 3.716 1654TIP3 H255939 -0.793 -1.915 3.668 1654TIP3 OH255940 -0.854 -1.884 4.220 1654TIP3 H155941 -0.758 -1.887 4.236 1654TIP3 H255942 -0.890 -1.900 4.309 1654TIP3 OH255943 -0.828 -2.228 3.707 1654TIP3 H155944 -0.817 -2.262 3.798 1654TIP3 H255945 -0.907 -2.279 3.678 1654TIP3 OH255946 -2.310 -2.085 4.197 1654TIP3 H155947 -2.285 -2.180 4.196 1654TIP3 H255948 -2.243 -2.054 4.258 1654TIP3 OH255949 -2.465 -1.811 4.302 1654TIP3 H155950 -2.418 -1.853 4.229 1654TIP3 H255951 -2.432 -1.719 4.296 1654TIP3 OH255952 -0.630 -2.182 3.375 1654TIP3 H155953 -0.599 -2.261 3.328 1654TIP3 H255954 -0.549 -2.129 3.381 1654TIP3 OH255955 -2.408 -2.202 3.692 1654TIP3 H155956 -2.498 -2.194 3.659 1654TIP3 H255957 -2.357 -2.148 3.628 1655TIP3 OH255958 -0.945 -0.682 3.907 1655TIP3 H155959 -0.897 -0.710 3.829 1655TIP3 H255960 -0.878 -0.634 3.957 1655TIP3 OH255961 -2.240 -0.778 4.262 1655TIP3 H155962 -2.204 -0.775 4.353 1655TIP3 H255963 -2.157 -0.798 4.214 1655TIP3 OH255964 -2.019 -0.866 4.116 1655TIP3 H155965 -2.030 -0.960 4.142 1655TIP3 H255966 -1.927 -0.849 4.147 1655TIP3 OH255967 -1.750 -0.818 4.213 1655TIP3 H155968 -1.720 -0.906 4.184 1655TIP3 H255969 -1.738 -0.825 4.308 1655TIP3 OH255970 -1.414 -2.219 4.129 1655TIP3 H155971 -1.475 -2.291 4.155 1655TIP3 H255972 -1.349 -2.268 4.075 1655TIP3 OH255973 -0.932 -2.411 4.135 1655TIP3 H155974 -0.866 -2.355 4.092 1655TIP3 H255975 -1.015 -2.385 4.093 1655TIP3 OH255976 -0.707 -2.312 3.964 1655TIP3 H155977 -0.637 -2.353 3.912 1655TIP3 H255978 -0.675 -2.220 3.973 1655TIP3 OH255979 -2.172 -2.347 3.873 1655TIP3 H155980 -2.261 -2.373 3.841 1655TIP3 H255981 -2.138 -2.432 3.905 1655TIP3 OH255982 -2.302 -2.405 3.472 1655TIP3 H155983 -2.244 -2.341 3.426 1655TIP3 H255984 -2.332 -2.354 3.549 1655TIP3 OH255985 -1.727 -2.371 3.891 1655TIP3 H155986 -1.635 -2.348 3.875 1655TIP3 H255987 -1.726 -2.391 3.985 1656TIP3 OH255988 -1.180 -2.366 4.003 1656TIP3 H155989 -1.151 -2.394 3.915 1656TIP3 H255990 -1.213 -2.449 4.041 1656TIP3 OH255991 -1.059 -2.368 3.616 1656TIP3 H155992 -1.142 -2.319 3.602 1656TIP3 H255993 -1.093 -2.458 3.631 1656TIP3 OH255994 -2.276 -0.811 3.593 1656TIP3 H155995 -2.340 -0.823 3.521 1656TIP3 H255996 -2.279 -0.715 3.603 1656TIP3 OH255997 -2.123 -2.224 3.321 1656TIP3 H155998 -2.063 -2.281 3.270 1656TIP3 H255999 -2.063 -2.191 3.391 1656TIP3 OH256000 -1.614 -2.206 3.582 1656TIP3 H156001 -1.579 -2.264 3.653 1656TIP3 H256002 -1.595 -2.119 3.621 1656TIP3 OH256003 -1.410 -0.626 3.404 1656TIP3 H156004 -1.312 -0.626 3.399 1656TIP3 H256005 -1.430 -0.694 3.337 1656TIP3 OH256006 -0.753 -0.734 3.656 1656TIP3 H156007 -0.805 -0.808 3.616 1656TIP3 H256008 -0.775 -0.660 3.595 1656TIP3 OH256009 -2.132 -0.715 3.273 1656TIP3 H156010 -2.157 -0.689 3.363 1656TIP3 H256011 -2.056 -0.773 3.287 1656TIP3 OH256012 0.616 -1.478 3.916 1656TIP3 H156013 0.610 -1.383 3.929 1656TIP3 H256014 0.533 -1.497 3.872 1656TIP3 OH256015 0.857 -1.269 4.039 1656TIP3 H156016 0.811 -1.336 4.091 1656TIP3 H256017 0.891 -1.212 4.112 1657TIP3 OH256018 -0.188 -1.122 4.242 1657TIP3 H156019 -0.211 -1.215 4.223 1657TIP3 H256020 -0.093 -1.134 4.259 1657TIP3 OH256021 -0.493 -1.772 3.779 1657TIP3 H156022 -0.535 -1.685 3.785 1657TIP3 H256023 -0.562 -1.825 3.737 1657TIP3 OH256024 -0.415 -1.535 3.975 1657TIP3 H156025 -0.396 -1.615 4.027 1657TIP3 H256026 -0.332 -1.525 3.927 1657TIP3 OH256027 0.562 -0.726 4.115 1657TIP3 H156028 0.624 -0.794 4.082 1657TIP3 H256029 0.536 -0.761 4.202 1657TIP3 OH256030 0.308 -1.307 4.266 1657TIP3 H156031 0.339 -1.394 4.231 1657TIP3 H256032 0.390 -1.283 4.313 1657TIP3 OH256033 0.713 -1.843 4.324 1657TIP3 H156034 0.694 -1.937 4.333 1657TIP3 H256035 0.656 -1.817 4.249 1657TIP3 OH256036 -0.040 -2.053 4.044 1657TIP3 H156037 -0.017 -1.969 3.998 1657TIP3 H256038 -0.068 -2.106 3.967 1657TIP3 OH256039 0.755 -2.040 3.864 1657TIP3 H156040 0.809 -2.075 3.938 1657TIP3 H256041 0.820 -1.984 3.820 1657TIP3 OH256042 -0.341 -1.788 4.100 1657TIP3 H156043 -0.290 -1.848 4.155 1657TIP3 H256044 -0.336 -1.833 4.014 1657TIP3 OH256045 0.171 -1.653 4.056 1657TIP3 H156046 0.260 -1.684 4.080 1657TIP3 H256047 0.138 -1.723 3.997 1658TIP3 OH256048 0.605 -1.191 3.791 1658TIP3 H156049 0.568 -1.222 3.708 1658TIP3 H256050 0.553 -1.111 3.809 1658TIP3 OH256051 0.938 -2.113 4.071 1658TIP3 H156052 0.914 -2.178 4.139 1658TIP3 H256053 0.984 -2.049 4.128 1658TIP3 OH256054 -0.116 -1.963 4.296 1658TIP3 H156055 -0.120 -1.869 4.274 1658TIP3 H256056 -0.110 -2.006 4.209 1658TIP3 OH256057 -0.422 -1.207 3.644 1658TIP3 H156058 -0.435 -1.176 3.552 1658TIP3 H256059 -0.398 -1.128 3.694 1658TIP3 OH256060 0.930 -1.137 4.260 1658TIP3 H156061 0.867 -1.150 4.334 1658TIP3 H256062 0.999 -1.085 4.302 1658TIP3 OH256063 0.259 -2.417 4.176 1658TIP3 H156064 0.257 -2.514 4.182 1658TIP3 H256065 0.178 -2.391 4.223 1658TIP3 OH256066 0.751 -0.886 3.965 1658TIP3 H156067 0.797 -0.968 3.935 1658TIP3 H256068 0.819 -0.819 3.944 1658TIP3 OH256069 0.897 -1.102 3.822 1658TIP3 H156070 0.842 -1.148 3.757 1658TIP3 H256071 0.891 -1.165 3.897 1658TIP3 OH256072 0.473 -1.528 3.640 1658TIP3 H156073 0.410 -1.469 3.596 1658TIP3 H256074 0.548 -1.526 3.578 1658TIP3 OH256075 0.504 -1.710 3.347 1658TIP3 H156076 0.573 -1.679 3.408 1658TIP3 H256077 0.555 -1.767 3.288 1659TIP3 OH256078 0.827 -1.530 3.749 1659TIP3 H156079 0.758 -1.507 3.817 1659TIP3 H256080 0.886 -1.586 3.802 1659TIP3 OH256081 -0.008 -1.455 3.929 1659TIP3 H156082 -0.043 -1.500 3.849 1659TIP3 H256083 0.052 -1.522 3.965 1659TIP3 OH256084 0.093 -1.133 4.155 1659TIP3 H156085 0.115 -1.180 4.073 1659TIP3 H256086 0.171 -1.150 4.209 1659TIP3 OH256087 0.012 -1.557 4.268 1659TIP3 H156088 0.080 -1.577 4.201 1659TIP3 H256089 0.064 -1.552 4.349 1659TIP3 OH256090 0.722 -1.583 3.495 1659TIP3 H156091 0.769 -1.557 3.577 1659TIP3 H256092 0.772 -1.532 3.427 1659TIP3 OH256093 0.466 -0.924 3.852 1659TIP3 H156094 0.517 -0.894 3.929 1659TIP3 H256095 0.419 -0.843 3.825 1659TIP3 OH256096 1.067 -2.411 3.445 1659TIP3 H156097 0.979 -2.401 3.486 1659TIP3 H256098 1.101 -2.321 3.450 1659TIP3 OH256099 -0.125 -1.576 3.684 1659TIP3 H156100 -0.140 -1.504 3.621 1659TIP3 H256101 -0.184 -1.645 3.651 1659TIP3 OH256102 1.204 -0.997 3.298 1659TIP3 H156103 1.220 -0.903 3.322 1659TIP3 H256104 1.291 -1.037 3.318 1659TIP3 OH256105 -0.502 -1.029 4.227 1659TIP3 H156106 -0.408 -1.043 4.246 1659TIP3 H256107 -0.525 -0.959 4.290 1660TIP3 OH256108 0.416 -0.652 3.699 1660TIP3 H156109 0.425 -0.643 3.602 1660TIP3 H256110 0.427 -0.561 3.731 1660TIP3 OH256111 -0.233 -0.782 3.845 1660TIP3 H156112 -0.190 -0.808 3.929 1660TIP3 H256113 -0.326 -0.798 3.867 1660TIP3 OH256114 0.752 -0.710 3.418 1660TIP3 H156115 0.810 -0.775 3.373 1660TIP3 H256116 0.747 -0.749 3.508 1660TIP3 OH256117 0.691 -0.767 3.699 1660TIP3 H156118 0.596 -0.756 3.714 1660TIP3 H256119 0.710 -0.841 3.759 1660TIP3 OH256120 0.015 -2.328 4.292 1660TIP3 H156121 -0.067 -2.331 4.241 1660TIP3 H256122 0.028 -2.232 4.308 1660TIP3 OH256123 0.878 -1.476 3.295 1660TIP3 H156124 0.857 -1.493 3.202 1660TIP3 H256125 0.972 -1.452 3.289 1660TIP3 OH256126 0.442 -2.100 3.345 1660TIP3 H156127 0.392 -2.112 3.428 1660TIP3 H256128 0.400 -2.167 3.289 1660TIP3 OH256129 0.005 -1.823 3.887 1660TIP3 H156130 -0.090 -1.831 3.867 1660TIP3 H256131 0.043 -1.841 3.798 1660TIP3 OH256132 0.562 -1.766 3.759 1660TIP3 H156133 0.525 -1.682 3.727 1660TIP3 H256134 0.634 -1.780 3.695 1660TIP3 OH256135 0.645 -1.823 4.050 1660TIP3 H156136 0.600 -1.763 3.989 1660TIP3 H256137 0.648 -1.905 3.998 1661TIP3 OH256138 0.084 -2.051 3.236 1661TIP3 H156139 0.047 -2.089 3.318 1661TIP3 H256140 0.005 -2.041 3.181 1661TIP3 OH256141 -0.569 -2.064 3.944 1661TIP3 H156142 -0.510 -2.069 4.021 1661TIP3 H256143 -0.518 -2.105 3.873 1661TIP3 OH256144 -0.412 -2.023 3.515 1661TIP3 H156145 -0.358 -1.976 3.448 1661TIP3 H256146 -0.482 -1.958 3.531 1661TIP3 OH256147 0.272 -2.053 3.987 1661TIP3 H156148 0.182 -2.070 4.018 1661TIP3 H256149 0.326 -2.078 4.065 1661TIP3 OH256150 -0.264 -1.939 3.855 1661TIP3 H156151 -0.345 -1.912 3.806 1661TIP3 H256152 -0.233 -2.016 3.805 1661TIP3 OH256153 0.101 -1.906 3.622 1661TIP3 H156154 0.198 -1.900 3.628 1661TIP3 H256155 0.079 -1.847 3.548 1661TIP3 OH256156 0.717 -2.198 4.284 1661TIP3 H156157 0.680 -2.170 4.369 1661TIP3 H256158 0.643 -2.186 4.222 1661TIP3 OH256159 -0.055 -1.780 3.400 1661TIP3 H156160 -0.113 -1.812 3.329 1661TIP3 H256161 0.026 -1.762 3.349 1661TIP3 OH256162 -0.087 -2.165 3.788 1661TIP3 H156163 -0.140 -2.245 3.799 1661TIP3 H256164 -0.007 -2.200 3.745 1661TIP3 OH256165 0.289 -1.319 3.581 1661TIP3 H156166 0.216 -1.375 3.547 1661TIP3 H256167 0.275 -1.321 3.678 1662TIP3 OH256168 0.710 -2.040 3.357 1662TIP3 H156169 0.612 -2.043 3.356 1662TIP3 H256170 0.730 -1.969 3.421 1662TIP3 OH256171 0.778 -1.859 3.561 1662TIP3 H156172 0.864 -1.875 3.604 1662TIP3 H256173 0.790 -1.770 3.523 1662TIP3 OH256174 -0.205 -1.410 4.174 1662TIP3 H156175 -0.146 -1.402 4.097 1662TIP3 H256176 -0.156 -1.478 4.224 1662TIP3 OH256177 0.533 -1.187 3.472 1662TIP3 H156178 0.509 -1.102 3.514 1662TIP3 H256179 0.459 -1.243 3.501 1662TIP3 OH256180 1.237 -1.861 3.538 1662TIP3 H156181 1.180 -1.878 3.460 1662TIP3 H256182 1.249 -1.765 3.526 1662TIP3 OH256183 1.056 -0.997 3.548 1662TIP3 H156184 1.034 -1.074 3.602 1662TIP3 H256185 1.111 -1.036 3.478 1662TIP3 OH256186 0.739 -1.459 4.259 1662TIP3 H156187 0.649 -1.499 4.269 1662TIP3 H256188 0.783 -1.529 4.207 1662TIP3 OH256189 0.043 -1.058 3.869 1662TIP3 H156190 0.092 -0.975 3.877 1662TIP3 H256191 -0.047 -1.026 3.858 1662TIP3 OH256192 -0.356 -1.577 3.352 1662TIP3 H156193 -0.297 -1.509 3.390 1662TIP3 H256194 -0.444 -1.547 3.381 1662TIP3 OH256195 0.228 -1.286 3.857 1662TIP3 H156196 0.190 -1.196 3.861 1662TIP3 H256197 0.157 -1.339 3.895 1663TIP3 OH256198 0.090 -0.765 3.817 1663TIP3 H156199 -0.005 -0.751 3.811 1663TIP3 H256200 0.123 -0.676 3.840 1663TIP3 OH256201 0.803 -1.155 3.337 1663TIP3 H156202 0.845 -1.202 3.411 1663TIP3 H256203 0.710 -1.170 3.361 1663TIP3 OH256204 1.276 -0.730 3.391 1663TIP3 H156205 1.346 -0.665 3.369 1663TIP3 H256206 1.199 -0.670 3.389 1663TIP3 OH256207 0.899 -1.294 3.574 1663TIP3 H156208 0.871 -1.366 3.634 1663TIP3 H256209 0.996 -1.297 3.584 1663TIP3 OH256210 0.226 -1.050 3.195 1663TIP3 H156211 0.255 -1.126 3.142 1663TIP3 H256212 0.184 -1.094 3.271 1663TIP3 OH256213 0.106 -1.101 3.470 1663TIP3 H156214 0.164 -1.155 3.526 1663TIP3 H256215 0.126 -1.010 3.500 1663TIP3 OH256216 -0.211 -1.353 3.503 1663TIP3 H156217 -0.273 -1.312 3.565 1663TIP3 H256218 -0.157 -1.277 3.475 1663TIP3 OH256219 0.628 -2.165 3.634 1663TIP3 H156220 0.644 -2.108 3.557 1663TIP3 H256221 0.670 -2.114 3.705 1663TIP3 OH256222 0.406 -0.935 3.529 1663TIP3 H156223 0.324 -0.885 3.543 1663TIP3 H256224 0.442 -0.892 3.450 1663TIP3 OH256225 0.366 -1.964 3.727 1663TIP3 H156226 0.443 -1.905 3.742 1663TIP3 H256227 0.337 -1.982 3.819 1664TIP3 OH256228 0.421 -2.263 3.818 1664TIP3 H156229 0.412 -2.202 3.893 1664TIP3 H256230 0.498 -2.224 3.772 1664TIP3 OH256231 0.122 -0.828 3.528 1664TIP3 H156232 0.119 -0.747 3.473 1664TIP3 H256233 0.117 -0.793 3.618 1664TIP3 OH256234 -0.002 -2.163 3.476 1664TIP3 H156235 0.001 -2.085 3.534 1664TIP3 H256236 0.080 -2.209 3.502 1664TIP3 OH256237 0.878 -1.690 4.127 1664TIP3 H156238 0.789 -1.730 4.112 1664TIP3 H256239 0.923 -1.766 4.170 1664TIP3 OH256240 -0.164 -1.074 3.385 1664TIP3 H156241 -0.086 -1.030 3.422 1664TIP3 H256242 -0.120 -1.123 3.314 1664TIP3 OH256243 -0.349 -1.858 3.297 1664TIP3 H156244 -0.337 -1.763 3.317 1664TIP3 H256245 -0.430 -1.858 3.246 1664TIP3 OH256246 1.007 -0.702 4.313 1664TIP3 H156247 0.942 -0.725 4.245 1664TIP3 H256248 1.088 -0.745 4.285 1664TIP3 OH256249 -0.261 -2.354 4.172 1664TIP3 H156250 -0.273 -2.351 4.074 1664TIP3 H256251 -0.292 -2.443 4.194 1664TIP3 OH256252 0.449 -0.881 3.246 1664TIP3 H156253 0.374 -0.944 3.233 1664TIP3 H256254 0.521 -0.934 3.207 1664TIP3 OH256255 0.912 -0.889 3.256 1664TIP3 H156256 0.926 -0.971 3.306 1664TIP3 H256257 0.991 -0.887 3.199 1665TIP3 OH256258 -0.010 -1.306 3.229 1665TIP3 H156259 0.009 -1.368 3.302 1665TIP3 H256260 0.075 -1.310 3.180 1665TIP3 OH256261 0.513 -1.175 3.189 1665TIP3 H156262 0.512 -1.180 3.286 1665TIP3 H256263 0.510 -1.270 3.167 1665TIP3 OH256264 0.098 -1.499 3.462 1665TIP3 H156265 0.041 -1.554 3.517 1665TIP3 H256266 0.131 -1.564 3.397 1665TIP3 OH256267 0.195 -1.695 3.288 1665TIP3 H156268 0.190 -1.692 3.191 1665TIP3 H256269 0.292 -1.701 3.302 1665TIP3 OH256270 1.147 -1.446 3.219 1665TIP3 H156271 1.136 -1.488 3.133 1665TIP3 H256272 1.135 -1.351 3.195 1665TIP3 OH256273 0.171 -0.574 3.396 1665TIP3 H156274 0.266 -0.564 3.409 1665TIP3 H256275 0.160 -0.530 3.311 1665TIP3 OH256276 -0.437 -1.133 3.361 1665TIP3 H156277 -0.340 -1.118 3.363 1665TIP3 H256278 -0.443 -1.211 3.302 1665TIP3 OH256279 -0.527 -0.642 3.806 1665TIP3 H156280 -0.621 -0.640 3.782 1665TIP3 H256281 -0.530 -0.680 3.896 1665TIP3 OH256282 -0.489 -0.827 4.012 1665TIP3 H156283 -0.519 -0.912 4.050 1665TIP3 H256284 -0.463 -0.784 4.096 1665TIP3 OH256285 1.284 -0.667 4.273 1665TIP3 H156286 1.262 -0.685 4.366 1665TIP3 H256287 1.380 -0.675 4.276 1666TIP3 OH256288 1.186 -1.309 3.613 1666TIP3 H156289 1.276 -1.277 3.630 1666TIP3 H256290 1.176 -1.372 3.686 1666TIP3 OH256291 1.235 -1.515 3.812 1666TIP3 H156292 1.165 -1.569 3.854 1666TIP3 H256293 1.300 -1.504 3.885 1666TIP3 OH256294 1.208 -1.279 4.331 1666TIP3 H156295 1.265 -1.332 4.275 1666TIP3 H256296 1.210 -1.193 4.287 1666TIP3 OH256297 1.258 -1.568 3.468 1666TIP3 H156298 1.206 -1.540 3.391 1666TIP3 H256299 1.244 -1.494 3.529 1666TIP3 OH256300 1.085 -1.813 3.295 1666TIP3 H156301 1.109 -1.753 3.223 1666TIP3 H256302 1.060 -1.894 3.247 1666TIP3 OH256303 1.026 -1.700 3.893 1666TIP3 H156304 1.017 -1.795 3.876 1666TIP3 H256305 0.983 -1.690 3.980 1666TIP3 OH256306 -0.492 -1.505 4.263 1666TIP3 H156307 -0.452 -1.485 4.177 1666TIP3 H256308 -0.413 -1.516 4.319 1666TIP3 OH256309 1.032 -2.079 3.214 1666TIP3 H156310 1.088 -2.128 3.276 1666TIP3 H256311 0.950 -2.131 3.210 1666TIP3 OH256312 1.012 -1.949 3.709 1666TIP3 H156313 1.035 -2.044 3.716 1666TIP3 H256314 1.093 -1.914 3.669 1666TIP3 OH256315 1.032 -1.893 4.224 1666TIP3 H156316 1.126 -1.879 4.244 1666TIP3 H256317 0.986 -1.887 4.309 1667TIP3 OH256318 1.060 -2.230 3.706 1667TIP3 H156319 1.067 -2.260 3.798 1667TIP3 H256320 0.979 -2.277 3.678 1667TIP3 OH256321 -0.417 -2.098 4.193 1667TIP3 H156322 -0.385 -2.190 4.203 1667TIP3 H256323 -0.359 -2.053 4.255 1667TIP3 OH256324 -0.578 -1.812 4.302 1667TIP3 H156325 -0.533 -1.850 4.225 1667TIP3 H256326 -0.548 -1.720 4.297 1667TIP3 OH256327 1.255 -2.182 3.374 1667TIP3 H156328 1.288 -2.261 3.329 1667TIP3 H256329 1.336 -2.129 3.383 1667TIP3 OH256330 -0.520 -2.209 3.693 1667TIP3 H156331 -0.614 -2.204 3.672 1667TIP3 H256332 -0.478 -2.149 3.629 1667TIP3 OH256333 0.945 -0.683 3.908 1667TIP3 H156334 0.986 -0.708 3.823 1667TIP3 H256335 1.018 -0.635 3.949 1667TIP3 OH256336 -0.351 -0.776 4.259 1667TIP3 H156337 -0.317 -0.774 4.351 1667TIP3 H256338 -0.267 -0.799 4.213 1667TIP3 OH256339 -0.133 -0.866 4.113 1667TIP3 H156340 -0.142 -0.959 4.142 1667TIP3 H256341 -0.041 -0.847 4.143 1667TIP3 OH256342 0.131 -0.821 4.214 1667TIP3 H156343 0.166 -0.906 4.182 1667TIP3 H256344 0.149 -0.828 4.308 1667TIP3 OH256345 0.469 -2.220 4.123 1667TIP3 H156346 0.411 -2.292 4.153 1667TIP3 H256347 0.540 -2.269 4.078 1668TIP3 OH256348 0.980 -2.409 4.149 1668TIP3 H156349 1.047 -2.361 4.097 1668TIP3 H256350 0.896 -2.382 4.109 1668TIP3 OH256351 1.177 -2.312 3.961 1668TIP3 H156352 1.250 -2.352 3.911 1668TIP3 H256353 1.208 -2.220 3.974 1668TIP3 OH256354 -0.292 -2.357 3.891 1668TIP3 H156355 -0.377 -2.369 3.843 1668TIP3 H256356 -0.247 -2.441 3.873 1668TIP3 OH256357 -0.407 -2.408 3.478 1668TIP3 H156358 -0.357 -2.342 3.426 1668TIP3 H256359 -0.451 -2.352 3.545 1668TIP3 OH256360 0.160 -2.381 3.892 1668TIP3 H156361 0.247 -2.342 3.871 1668TIP3 H256362 0.166 -2.389 3.988 1668TIP3 OH256363 0.709 -2.366 4.007 1668TIP3 H156364 0.742 -2.390 3.919 1668TIP3 H256365 0.680 -2.451 4.043 1668TIP3 OH256366 0.828 -2.369 3.615 1668TIP3 H156367 0.747 -2.316 3.606 1668TIP3 H256368 0.790 -2.458 3.627 1668TIP3 OH256369 -0.239 -2.228 3.324 1668TIP3 H156370 -0.177 -2.279 3.268 1668TIP3 H256371 -0.178 -2.192 3.391 1668TIP3 OH256372 0.269 -2.207 3.585 1668TIP3 H156373 0.310 -2.261 3.654 1668TIP3 H256374 0.291 -2.119 3.619 1668TIP3 OH256375 0.476 -0.628 3.406 1668TIP3 H156376 0.573 -0.626 3.401 1668TIP3 H256377 0.456 -0.693 3.337 1669TIP3 OH256378 1.124 -0.724 3.664 1669TIP3 H156379 1.103 -0.809 3.620 1669TIP3 H256380 1.125 -0.664 3.589 1669TIP3 OH256381 -0.256 -0.723 3.282 1669TIP3 H156382 -0.261 -0.679 3.368 1669TIP3 H256383 -0.172 -0.772 3.287 1669TIP3 OH256384 2.487 -1.484 3.925 1669TIP3 H156385 2.496 -1.388 3.930 1669TIP3 H256386 2.421 -1.493 3.855 1669TIP3 OH256387 2.384 -1.544 4.247 1669TIP3 H156388 2.381 -1.621 4.306 1669TIP3 H256389 2.377 -1.584 4.159 1669TIP3 OH256390 2.741 -1.268 4.038 1669TIP3 H156391 2.702 -1.335 4.097 1669TIP3 H256392 2.777 -1.209 4.107 1669TIP3 OH256393 1.697 -1.121 4.247 1669TIP3 H156394 1.672 -1.212 4.224 1669TIP3 H256395 1.794 -1.135 4.256 1669TIP3 OH256396 1.394 -1.771 3.778 1669TIP3 H156397 1.351 -1.684 3.787 1669TIP3 H256398 1.323 -1.824 3.741 1669TIP3 OH256399 1.470 -1.535 3.977 1669TIP3 H156400 1.491 -1.614 4.030 1669TIP3 H256401 1.551 -1.525 3.926 1669TIP3 OH256402 2.447 -0.728 4.113 1669TIP3 H156403 2.510 -0.795 4.082 1669TIP3 H256404 2.422 -0.758 4.201 1669TIP3 OH256405 2.190 -1.316 4.280 1669TIP3 H156406 2.233 -1.382 4.223 1669TIP3 H256407 2.271 -1.279 4.320 1670TIP3 OH256408 2.537 -1.842 4.322 1670TIP3 H156409 2.582 -1.926 4.341 1670TIP3 H256410 2.546 -1.833 4.226 1670TIP3 OH256411 1.850 -2.053 4.043 1670TIP3 H156412 1.867 -1.969 3.997 1670TIP3 H256413 1.819 -2.106 3.967 1670TIP3 OH256414 2.641 -2.032 3.870 1670TIP3 H156415 2.698 -2.076 3.938 1670TIP3 H256416 2.709 -1.990 3.815 1670TIP3 OH256417 1.551 -1.787 4.100 1670TIP3 H156418 1.592 -1.854 4.154 1670TIP3 H256419 1.549 -1.831 4.013 1670TIP3 OH256420 2.053 -1.646 4.057 1670TIP3 H156421 2.130 -1.701 4.083 1670TIP3 H256422 2.010 -1.704 3.991 1670TIP3 OH256423 2.484 -1.198 3.793 1670TIP3 H156424 2.456 -1.217 3.703 1670TIP3 H256425 2.441 -1.113 3.811 1670TIP3 OH256426 2.820 -2.112 4.072 1670TIP3 H156427 2.797 -2.179 4.138 1670TIP3 H256428 2.872 -2.051 4.128 1670TIP3 OH256429 1.772 -1.963 4.297 1670TIP3 H156430 1.759 -1.870 4.276 1670TIP3 H256431 1.772 -2.006 4.209 1670TIP3 OH256432 1.462 -1.226 3.627 1670TIP3 H156433 1.441 -1.176 3.546 1670TIP3 H256434 1.478 -1.156 3.693 1670TIP3 OH256435 2.814 -1.135 4.258 1670TIP3 H156436 2.753 -1.148 4.333 1670TIP3 H256437 2.887 -1.089 4.300 1671TIP3 OH256438 2.147 -2.415 4.178 1671TIP3 H156439 2.143 -2.513 4.182 1671TIP3 H256440 2.064 -2.390 4.222 1671TIP3 OH256441 2.637 -0.886 3.963 1671TIP3 H156442 2.684 -0.967 3.934 1671TIP3 H256443 2.705 -0.818 3.945 1671TIP3 OH256444 2.782 -1.102 3.821 1671TIP3 H156445 2.730 -1.150 3.755 1671TIP3 H256446 2.777 -1.164 3.896 1671TIP3 OH256447 2.361 -1.528 3.643 1671TIP3 H156448 2.296 -1.469 3.602 1671TIP3 H256449 2.434 -1.526 3.578 1671TIP3 OH256450 2.390 -1.710 3.347 1671TIP3 H156451 2.460 -1.679 3.407 1671TIP3 H256452 2.441 -1.768 3.289 1671TIP3 OH256453 2.710 -1.530 3.750 1671TIP3 H156454 2.646 -1.507 3.821 1671TIP3 H256455 2.774 -1.585 3.800 1671TIP3 OH256456 1.873 -1.448 3.926 1671TIP3 H156457 1.837 -1.493 3.846 1671TIP3 H256458 1.932 -1.516 3.963 1671TIP3 OH256459 1.971 -1.138 4.159 1671TIP3 H156460 1.996 -1.172 4.072 1671TIP3 H256461 2.055 -1.139 4.207 1671TIP3 OH256462 1.891 -1.567 4.272 1671TIP3 H156463 1.955 -1.581 4.200 1671TIP3 H256464 1.947 -1.540 4.345 1671TIP3 OH256465 2.606 -1.582 3.494 1671TIP3 H156466 2.654 -1.557 3.576 1671TIP3 H256467 2.657 -1.531 3.426 1672TIP3 OH256468 2.352 -0.924 3.853 1672TIP3 H156469 2.402 -0.892 3.928 1672TIP3 H256470 2.304 -0.846 3.823 1672TIP3 OH256471 2.946 -2.417 3.453 1672TIP3 H156472 2.863 -2.392 3.497 1672TIP3 H256473 2.987 -2.330 3.435 1672TIP3 OH256474 1.763 -1.576 3.682 1672TIP3 H156475 1.743 -1.502 3.623 1672TIP3 H256476 1.699 -1.643 3.653 1672TIP3 OH256477 3.092 -0.996 3.293 1672TIP3 H156478 3.108 -0.903 3.322 1672TIP3 H256479 3.177 -1.038 3.318 1672TIP3 OH256480 1.384 -1.034 4.238 1672TIP3 H156481 1.480 -1.040 4.243 1672TIP3 H256482 1.366 -0.953 4.287 1672TIP3 OH256483 2.309 -0.653 3.699 1672TIP3 H156484 2.309 -0.641 3.603 1672TIP3 H256485 2.310 -0.562 3.733 1672TIP3 OH256486 1.688 -0.739 3.862 1672TIP3 H156487 1.703 -0.785 3.947 1672TIP3 H256488 1.605 -0.778 3.833 1672TIP3 OH256489 2.637 -0.711 3.416 1672TIP3 H156490 2.695 -0.777 3.374 1672TIP3 H256491 2.632 -0.747 3.507 1672TIP3 OH256492 2.578 -0.767 3.697 1672TIP3 H156493 2.483 -0.752 3.713 1672TIP3 H256494 2.595 -0.839 3.761 1672TIP3 OH256495 1.903 -2.326 4.291 1672TIP3 H156496 1.820 -2.337 4.242 1672TIP3 H256497 1.908 -2.230 4.306 1673TIP3 OH256498 2.763 -1.475 3.295 1673TIP3 H156499 2.744 -1.494 3.201 1673TIP3 H256500 2.857 -1.453 3.291 1673TIP3 OH256501 2.324 -2.097 3.345 1673TIP3 H156502 2.277 -2.112 3.428 1673TIP3 H256503 2.286 -2.167 3.289 1673TIP3 OH256504 1.892 -1.820 3.884 1673TIP3 H156505 1.796 -1.829 3.867 1673TIP3 H256506 1.927 -1.843 3.795 1673TIP3 OH256507 2.450 -1.765 3.763 1673TIP3 H156508 2.409 -1.683 3.727 1673TIP3 H256509 2.520 -1.782 3.698 1673TIP3 OH256510 2.529 -1.824 4.042 1673TIP3 H156511 2.502 -1.769 3.967 1673TIP3 H256512 2.552 -1.906 3.993 1673TIP3 OH256513 1.970 -2.054 3.235 1673TIP3 H156514 1.934 -2.089 3.319 1673TIP3 H256515 1.890 -2.040 3.182 1673TIP3 OH256516 1.319 -2.060 3.942 1673TIP3 H156517 1.374 -2.071 4.022 1673TIP3 H256518 1.369 -2.107 3.873 1673TIP3 OH256519 1.474 -2.023 3.513 1673TIP3 H156520 1.528 -1.974 3.448 1673TIP3 H256521 1.403 -1.958 3.532 1673TIP3 OH256522 2.159 -2.058 3.984 1673TIP3 H156523 2.066 -2.069 4.009 1673TIP3 H256524 2.205 -2.085 4.065 1673TIP3 OH256525 1.623 -1.939 3.854 1673TIP3 H156526 1.541 -1.911 3.809 1673TIP3 H256527 1.650 -2.017 3.803 1674TIP3 OH256528 1.986 -1.906 3.622 1674TIP3 H156529 2.083 -1.899 3.626 1674TIP3 H256530 1.961 -1.847 3.548 1674TIP3 OH256531 2.603 -2.194 4.279 1674TIP3 H156532 2.568 -2.163 4.364 1674TIP3 H256533 2.526 -2.190 4.220 1674TIP3 OH256534 1.832 -1.783 3.399 1674TIP3 H156535 1.773 -1.810 3.328 1674TIP3 H256536 1.913 -1.762 3.349 1674TIP3 OH256537 2.254 -1.822 4.193 1674TIP3 H156538 2.326 -1.852 4.134 1674TIP3 H256539 2.261 -1.886 4.265 1674TIP3 OH256540 1.800 -2.166 3.787 1674TIP3 H156541 1.744 -2.245 3.799 1674TIP3 H256542 1.878 -2.203 3.744 1674TIP3 OH256543 2.177 -1.322 3.582 1674TIP3 H156544 2.102 -1.375 3.546 1674TIP3 H256545 2.160 -1.322 3.679 1674TIP3 OH256546 2.593 -2.042 3.362 1674TIP3 H156547 2.495 -2.041 3.357 1674TIP3 H256548 2.614 -1.968 3.422 1674TIP3 OH256549 2.662 -1.857 3.567 1674TIP3 H156550 2.750 -1.875 3.604 1674TIP3 H256551 2.676 -1.771 3.523 1674TIP3 OH256552 1.680 -1.410 4.176 1674TIP3 H156553 1.736 -1.401 4.097 1674TIP3 H256554 1.727 -1.482 4.222 1674TIP3 OH256555 2.418 -1.187 3.474 1674TIP3 H156556 2.392 -1.101 3.513 1674TIP3 H256557 2.343 -1.243 3.502 1675TIP3 OH256558 3.121 -1.861 3.538 1675TIP3 H156559 3.065 -1.880 3.460 1675TIP3 H256560 3.133 -1.765 3.525 1675TIP3 OH256561 2.933 -1.002 3.540 1675TIP3 H156562 2.920 -1.073 3.605 1675TIP3 H256563 3.003 -1.036 3.483 1675TIP3 OH256564 2.653 -1.446 4.246 1675TIP3 H156565 2.565 -1.480 4.270 1675TIP3 H256566 2.693 -1.523 4.201 1675TIP3 OH256567 1.932 -1.058 3.873 1675TIP3 H156568 1.972 -0.969 3.873 1675TIP3 H256569 1.838 -1.037 3.864 1675TIP3 OH256570 1.530 -1.576 3.351 1675TIP3 H156571 1.587 -1.508 3.391 1675TIP3 H256572 1.442 -1.550 3.385 1675TIP3 OH256573 2.113 -1.287 3.863 1675TIP3 H156574 2.080 -1.196 3.862 1675TIP3 H256575 2.035 -1.336 3.893 1675TIP3 OH256576 1.975 -0.765 3.813 1675TIP3 H156577 1.879 -0.750 3.819 1675TIP3 H256578 2.010 -0.678 3.839 1675TIP3 OH256579 2.686 -1.156 3.336 1675TIP3 H156580 2.731 -1.199 3.411 1675TIP3 H256581 2.594 -1.171 3.363 1675TIP3 OH256582 3.159 -0.729 3.387 1675TIP3 H156583 3.231 -0.664 3.373 1675TIP3 H256584 3.084 -0.667 3.389 1675TIP3 OH256585 2.785 -1.296 3.574 1675TIP3 H156586 2.759 -1.367 3.635 1675TIP3 H256587 2.882 -1.296 3.584 1676TIP3 OH256588 2.112 -1.051 3.193 1676TIP3 H156589 2.141 -1.131 3.145 1676TIP3 H256590 2.069 -1.090 3.271 1676TIP3 OH256591 1.997 -1.099 3.464 1676TIP3 H156592 2.047 -1.152 3.527 1676TIP3 H256593 2.011 -1.008 3.498 1676TIP3 OH256594 1.681 -1.355 3.505 1676TIP3 H156595 1.608 -1.317 3.557 1676TIP3 H256596 1.727 -1.274 3.477 1676TIP3 OH256597 2.510 -2.164 3.632 1676TIP3 H156598 2.530 -2.112 3.553 1676TIP3 H256599 2.556 -2.113 3.701 1676TIP3 OH256600 2.291 -0.938 3.528 1676TIP3 H156601 2.210 -0.888 3.546 1676TIP3 H256602 2.328 -0.889 3.453 1676TIP3 OH256603 2.252 -1.965 3.726 1676TIP3 H156604 2.328 -1.906 3.741 1676TIP3 H256605 2.222 -1.983 3.817 1676TIP3 OH256606 2.308 -2.264 3.819 1676TIP3 H156607 2.294 -2.199 3.890 1676TIP3 H256608 2.383 -2.224 3.771 1676TIP3 OH256609 2.011 -0.829 3.528 1676TIP3 H156610 2.005 -0.748 3.474 1676TIP3 H256611 1.998 -0.795 3.618 1676TIP3 OH256612 1.884 -2.163 3.475 1676TIP3 H156613 1.885 -2.086 3.534 1676TIP3 H256614 1.966 -2.209 3.503 1676TIP3 OH256615 2.760 -1.685 4.141 1676TIP3 H156616 2.683 -1.733 4.107 1676TIP3 H256617 2.818 -1.759 4.172 1677TIP3 OH256618 1.724 -1.074 3.381 1677TIP3 H156619 1.797 -1.026 3.421 1677TIP3 H256620 1.773 -1.125 3.314 1677TIP3 OH256621 1.538 -1.856 3.293 1677TIP3 H156622 1.549 -1.762 3.316 1677TIP3 H256623 1.451 -1.856 3.252 1677TIP3 OH256624 2.894 -0.710 4.317 1677TIP3 H156625 2.834 -0.718 4.243 1677TIP3 H256626 2.979 -0.739 4.283 1677TIP3 OH256627 1.628 -2.356 4.172 1677TIP3 H156628 1.612 -2.352 4.075 1677TIP3 H256629 1.591 -2.442 4.195 1677TIP3 OH256630 1.519 -1.005 3.799 1677TIP3 H156631 1.442 -0.952 3.824 1677TIP3 H256632 1.557 -0.952 3.728 1677TIP3 OH256633 2.334 -0.880 3.242 1677TIP3 H156634 2.258 -0.942 3.234 1677TIP3 H256635 2.405 -0.937 3.207 1677TIP3 OH256636 2.798 -0.891 3.252 1677TIP3 H156637 2.812 -0.969 3.310 1677TIP3 H256638 2.881 -0.889 3.202 1677TIP3 OH256639 1.877 -1.307 3.227 1677TIP3 H156640 1.892 -1.366 3.302 1677TIP3 H256641 1.963 -1.312 3.182 1677TIP3 OH256642 2.400 -1.174 3.188 1677TIP3 H156643 2.397 -1.179 3.286 1677TIP3 H256644 2.396 -1.270 3.167 1677TIP3 OH256645 1.987 -1.499 3.463 1677TIP3 H156646 1.924 -1.551 3.516 1677TIP3 H256647 2.016 -1.567 3.398 1678TIP3 OH256648 2.081 -1.697 3.288 1678TIP3 H156649 2.076 -1.691 3.191 1678TIP3 H256650 2.177 -1.702 3.302 1678TIP3 OH256651 3.033 -1.449 3.216 1678TIP3 H156652 3.015 -1.487 3.129 1678TIP3 H256653 3.024 -1.353 3.196 1678TIP3 OH256654 2.058 -0.576 3.396 1678TIP3 H156655 2.153 -0.562 3.409 1678TIP3 H256656 2.043 -0.529 3.313 1678TIP3 OH256657 1.448 -1.134 3.350 1678TIP3 H156658 1.544 -1.116 3.363 1678TIP3 H256659 1.450 -1.213 3.292 1678TIP3 OH256660 1.351 -0.618 3.821 1678TIP3 H156661 1.276 -0.654 3.770 1678TIP3 H256662 1.358 -0.684 3.893 1678TIP3 OH256663 1.387 -0.816 4.019 1678TIP3 H156664 1.361 -0.905 4.048 1678TIP3 H256665 1.415 -0.779 4.105 1678TIP3 OH256666 3.169 -0.662 4.277 1678TIP3 H156667 3.151 -0.687 4.369 1678TIP3 H256668 3.265 -0.677 4.273 1678TIP3 OH256669 3.075 -1.308 3.613 1678TIP3 H156670 3.164 -1.271 3.631 1678TIP3 H256671 3.067 -1.371 3.687 1678TIP3 OH256672 3.119 -1.514 3.812 1678TIP3 H156673 3.052 -1.569 3.855 1678TIP3 H256674 3.187 -1.503 3.882 1678TIP3 OH256675 3.089 -1.281 4.327 1678TIP3 H156676 3.153 -1.335 4.279 1678TIP3 H256677 3.101 -1.193 4.288 1679TIP3 OH256678 3.143 -1.569 3.469 1679TIP3 H156679 3.092 -1.540 3.391 1679TIP3 H256680 3.130 -1.493 3.529 1679TIP3 OH256681 2.968 -1.808 3.296 1679TIP3 H156682 2.996 -1.758 3.218 1679TIP3 H256683 2.943 -1.895 3.257 1679TIP3 OH256684 2.905 -1.699 3.892 1679TIP3 H156685 2.903 -1.795 3.878 1679TIP3 H256686 2.873 -1.690 3.983 1679TIP3 OH256687 1.396 -1.523 4.263 1679TIP3 H156688 1.429 -1.488 4.179 1679TIP3 H256689 1.475 -1.515 4.320 1679TIP3 OH256690 2.910 -2.072 3.234 1679TIP3 H156691 2.984 -2.135 3.241 1679TIP3 H256692 2.842 -2.128 3.194 1679TIP3 OH256693 2.897 -1.950 3.712 1679TIP3 H156694 2.922 -2.045 3.715 1679TIP3 H256695 2.977 -1.914 3.669 1679TIP3 OH256696 2.919 -1.884 4.219 1679TIP3 H156697 3.015 -1.885 4.234 1679TIP3 H256698 2.884 -1.899 4.308 1679TIP3 OH256699 2.943 -2.227 3.709 1679TIP3 H156700 2.956 -2.261 3.799 1679TIP3 H256701 2.864 -2.277 3.680 1679TIP3 OH256702 1.470 -2.099 4.192 1679TIP3 H156703 1.498 -2.191 4.203 1679TIP3 H256704 1.527 -2.055 4.255 1679TIP3 OH256705 1.313 -1.812 4.302 1679TIP3 H156706 1.350 -1.847 4.220 1679TIP3 H256707 1.337 -1.717 4.295 1680TIP3 OH256708 3.155 -2.206 3.375 1680TIP3 H156709 3.161 -2.255 3.290 1680TIP3 H256710 3.228 -2.144 3.366 1680TIP3 OH256711 1.366 -2.211 3.692 1680TIP3 H156712 1.271 -2.204 3.673 1680TIP3 H256713 1.406 -2.148 3.628 1680TIP3 OH256714 2.831 -0.683 3.908 1680TIP3 H156715 2.873 -0.709 3.823 1680TIP3 H256716 2.904 -0.636 3.949 1680TIP3 OH256717 1.531 -0.780 4.262 1680TIP3 H156718 1.568 -0.775 4.353 1680TIP3 H256719 1.613 -0.798 4.213 1680TIP3 OH256720 1.752 -0.865 4.116 1680TIP3 H156721 1.742 -0.959 4.142 1680TIP3 H256722 1.844 -0.848 4.146 1680TIP3 OH256723 2.019 -0.818 4.213 1680TIP3 H156724 2.053 -0.904 4.183 1680TIP3 H256725 2.033 -0.825 4.308 1680TIP3 OH256726 2.356 -2.218 4.128 1680TIP3 H156727 2.296 -2.290 4.154 1680TIP3 H256728 2.424 -2.266 4.077 1680TIP3 OH256729 2.855 -2.403 4.136 1680TIP3 H156730 2.921 -2.357 4.082 1680TIP3 H256731 2.771 -2.381 4.092 1680TIP3 OH256732 3.060 -2.312 3.960 1680TIP3 H156733 3.134 -2.354 3.912 1680TIP3 H256734 3.095 -2.221 3.973 1680TIP3 OH256735 1.595 -2.356 3.889 1680TIP3 H156736 1.509 -2.369 3.843 1680TIP3 H256737 1.638 -2.441 3.873 1681TIP3 OH256738 1.478 -2.407 3.477 1681TIP3 H156739 1.527 -2.341 3.426 1681TIP3 H256740 1.435 -2.353 3.545 1681TIP3 OH256741 2.046 -2.381 3.891 1681TIP3 H156742 2.134 -2.344 3.872 1681TIP3 H256743 2.049 -2.389 3.987 1681TIP3 OH256744 2.595 -2.366 4.005 1681TIP3 H156745 2.623 -2.391 3.916 1681TIP3 H256746 2.563 -2.451 4.040 1681TIP3 OH256747 2.711 -2.369 3.619 1681TIP3 H156748 2.630 -2.317 3.603 1681TIP3 H256749 2.675 -2.459 3.625 1681TIP3 OH256750 1.495 -0.811 3.593 1681TIP3 H156751 1.431 -0.823 3.521 1681TIP3 H256752 1.493 -0.715 3.603 1681TIP3 OH256753 1.647 -2.226 3.321 1681TIP3 H156754 1.709 -2.280 3.269 1681TIP3 H256755 1.706 -2.191 3.391 1681TIP3 OH256756 2.155 -2.208 3.584 1681TIP3 H156757 2.195 -2.262 3.655 1681TIP3 H256758 2.176 -2.119 3.618 1681TIP3 OH256759 2.362 -0.627 3.404 1681TIP3 H156760 2.459 -0.627 3.401 1681TIP3 H256761 2.342 -0.694 3.336 1681TIP3 OH256762 3.007 -0.723 3.664 1681TIP3 H156763 2.991 -0.808 3.620 1681TIP3 H256764 3.012 -0.663 3.589 1681TIP3 OH256765 1.638 -0.716 3.273 1681TIP3 H156766 1.614 -0.688 3.362 1681TIP3 H256767 1.715 -0.772 3.288 1682TIP3 OH256768 4.290 -1.528 4.228 1682TIP3 H156769 4.267 -1.586 4.303 1682TIP3 H256770 4.262 -1.583 4.151 1682TIP3 OH256771 3.579 -1.119 4.240 1682TIP3 H156772 3.561 -1.213 4.224 1682TIP3 H256773 3.674 -1.125 4.261 1682TIP3 OH256774 3.280 -1.775 3.777 1682TIP3 H156775 3.241 -1.686 3.788 1682TIP3 H256776 3.207 -1.823 3.736 1682TIP3 OH256777 3.353 -1.539 3.972 1682TIP3 H156778 3.378 -1.613 4.030 1682TIP3 H256779 3.438 -1.518 3.932 1682TIP3 OH256780 4.059 -1.314 4.278 1682TIP3 H156781 4.101 -1.380 4.221 1682TIP3 H256782 4.135 -1.280 4.329 1682TIP3 OH256783 3.742 -2.056 4.040 1682TIP3 H156784 3.755 -1.968 4.000 1682TIP3 H256785 3.705 -2.104 3.963 1682TIP3 OH256786 3.430 -1.789 4.100 1682TIP3 H156787 3.480 -1.850 4.154 1682TIP3 H256788 3.434 -1.832 4.013 1682TIP3 OH256789 3.936 -1.646 4.065 1682TIP3 H156790 4.021 -1.694 4.077 1682TIP3 H256791 3.896 -1.702 3.995 1682TIP3 OH256792 3.667 -1.961 4.300 1682TIP3 H156793 3.644 -1.870 4.281 1682TIP3 H256794 3.655 -2.007 4.214 1682TIP3 OH256795 3.346 -1.212 3.635 1682TIP3 H156796 3.331 -1.163 3.553 1682TIP3 H256797 3.373 -1.140 3.697 1683TIP3 OH256798 4.036 -2.416 4.176 1683TIP3 H156799 4.025 -2.512 4.183 1683TIP3 H256800 3.955 -2.384 4.220 1683TIP3 OH256801 4.287 -1.692 3.343 1683TIP3 H156802 4.350 -1.696 3.417 1683TIP3 H256803 4.294 -1.780 3.304 1683TIP3 OH256804 3.761 -1.448 3.925 1683TIP3 H156805 3.726 -1.495 3.847 1683TIP3 H256806 3.819 -1.514 3.966 1683TIP3 OH256807 3.878 -1.120 4.161 1683TIP3 H156808 3.879 -1.158 4.072 1683TIP3 H256809 3.951 -1.167 4.203 1683TIP3 OH256810 3.770 -1.582 4.274 1683TIP3 H156811 3.838 -1.589 4.204 1683TIP3 H256812 3.821 -1.546 4.348 1683TIP3 OH256813 4.259 -0.929 3.848 1683TIP3 H156814 4.301 -0.868 3.911 1683TIP3 H256815 4.205 -0.868 3.796 1683TIP3 OH256816 3.652 -1.580 3.679 1683TIP3 H156817 3.631 -1.502 3.625 1683TIP3 H256818 3.581 -1.641 3.653 1683TIP3 OH256819 3.269 -1.033 4.238 1683TIP3 H156820 3.365 -1.044 4.240 1683TIP3 H256821 3.257 -0.950 4.286 1683TIP3 OH256822 4.205 -0.654 3.706 1683TIP3 H156823 4.196 -0.651 3.610 1683TIP3 H256824 4.208 -0.561 3.732 1683TIP3 OH256825 3.792 -2.325 4.290 1683TIP3 H156826 3.706 -2.337 4.244 1683TIP3 H256827 3.793 -2.230 4.309 1684TIP3 OH256828 4.231 -2.094 3.346 1684TIP3 H156829 4.174 -2.106 3.423 1684TIP3 H256830 4.197 -2.162 3.286 1684TIP3 OH256831 3.776 -1.822 3.884 1684TIP3 H156832 3.681 -1.829 3.868 1684TIP3 H256833 3.811 -1.840 3.795 1684TIP3 OH256834 3.864 -2.055 3.234 1684TIP3 H156835 3.823 -2.088 3.317 1684TIP3 H256836 3.785 -2.038 3.180 1684TIP3 OH256837 3.200 -2.066 3.945 1684TIP3 H156838 3.261 -2.069 4.021 1684TIP3 H256839 3.252 -2.104 3.872 1684TIP3 OH256840 3.361 -2.022 3.514 1684TIP3 H156841 3.412 -1.975 3.446 1684TIP3 H256842 3.287 -1.962 3.529 1684TIP3 OH256843 4.046 -2.075 3.981 1684TIP3 H156844 3.952 -2.071 4.004 1684TIP3 H256845 4.085 -2.065 4.069 1684TIP3 OH256846 3.507 -1.940 3.854 1684TIP3 H156847 3.426 -1.910 3.809 1684TIP3 H256848 3.534 -2.018 3.802 1684TIP3 OH256849 3.884 -1.914 3.617 1684TIP3 H156850 3.975 -1.882 3.626 1684TIP3 H256851 3.845 -1.852 3.552 1684TIP3 OH256852 3.723 -1.789 3.400 1684TIP3 H156853 3.661 -1.810 3.328 1684TIP3 H256854 3.803 -1.766 3.350 1684TIP3 OH256855 4.125 -1.840 4.163 1684TIP3 H156856 4.195 -1.857 4.098 1684TIP3 H256857 4.162 -1.877 4.244 1685TIP3 OH256858 3.684 -2.166 3.783 1685TIP3 H156859 3.627 -2.243 3.800 1685TIP3 H256860 3.764 -2.208 3.747 1685TIP3 OH256861 4.080 -1.338 3.581 1685TIP3 H156862 4.004 -1.389 3.547 1685TIP3 H256863 4.070 -1.345 3.677 1685TIP3 OH256864 3.560 -1.422 4.171 1685TIP3 H156865 3.623 -1.401 4.100 1685TIP3 H256866 3.615 -1.482 4.226 1685TIP3 OH256867 4.288 -1.186 3.483 1685TIP3 H156868 4.250 -1.103 3.517 1685TIP3 H256869 4.219 -1.250 3.513 1685TIP3 OH256870 3.825 -1.041 3.879 1685TIP3 H156871 3.865 -0.958 3.851 1685TIP3 H256872 3.734 -1.023 3.848 1685TIP3 OH256873 3.415 -1.576 3.351 1685TIP3 H156874 3.473 -1.508 3.391 1685TIP3 H256875 3.328 -1.549 3.386 1685TIP3 OH256876 3.995 -1.274 3.869 1685TIP3 H156877 3.953 -1.186 3.863 1685TIP3 H256878 3.920 -1.332 3.889 1685TIP3 OH256879 3.991 -1.049 3.190 1685TIP3 H156880 4.031 -1.128 3.148 1685TIP3 H256881 3.961 -1.087 3.275 1685TIP3 OH256882 3.898 -1.089 3.477 1685TIP3 H156883 3.933 -1.144 3.549 1685TIP3 H256884 3.882 -1.005 3.523 1685TIP3 OH256885 3.560 -1.353 3.506 1685TIP3 H156886 3.492 -1.313 3.562 1685TIP3 H256887 3.609 -1.273 3.478 1686TIP3 OH256888 4.155 -0.926 3.527 1686TIP3 H156889 4.078 -0.869 3.548 1686TIP3 H256890 4.200 -0.876 3.459 1686TIP3 OH256891 4.162 -1.954 3.734 1686TIP3 H156892 4.206 -1.878 3.775 1686TIP3 H256893 4.115 -1.988 3.812 1686TIP3 OH256894 4.192 -2.266 3.844 1686TIP3 H156895 4.164 -2.187 3.897 1686TIP3 H256896 4.271 -2.232 3.799 1686TIP3 OH256897 3.770 -2.161 3.471 1686TIP3 H156898 3.768 -2.086 3.533 1686TIP3 H256899 3.850 -2.209 3.499 1686TIP3 OH256900 3.611 -1.077 3.379 1686TIP3 H156901 3.667 -1.016 3.431 1686TIP3 H256902 3.677 -1.123 3.325 1686TIP3 OH256903 3.424 -1.854 3.288 1686TIP3 H156904 3.432 -1.761 3.314 1686TIP3 H256905 3.333 -1.859 3.255 1686TIP3 OH256906 3.513 -2.357 4.172 1686TIP3 H156907 3.497 -2.353 4.076 1686TIP3 H256908 3.479 -2.444 4.196 1686TIP3 OH256909 3.427 -0.995 3.802 1686TIP3 H156910 3.356 -0.933 3.823 1686TIP3 H256911 3.485 -0.938 3.748 1686TIP3 OH256912 4.231 -0.882 3.225 1686TIP3 H156913 4.148 -0.934 3.228 1686TIP3 H256914 4.295 -0.955 3.213 1686TIP3 OH256915 3.764 -1.307 3.228 1686TIP3 H156916 3.780 -1.365 3.305 1686TIP3 H256917 3.851 -1.309 3.185 1687TIP3 OH256918 4.257 -1.174 3.184 1687TIP3 H156919 4.276 -1.163 3.279 1687TIP3 H256920 4.243 -1.270 3.179 1687TIP3 OH256921 3.867 -1.497 3.454 1687TIP3 H156922 3.810 -1.546 3.515 1687TIP3 H256923 3.902 -1.569 3.397 1687TIP3 OH256924 3.981 -1.701 3.290 1687TIP3 H156925 3.971 -1.691 3.194 1687TIP3 H256926 4.076 -1.685 3.302 1687TIP3 OH256927 3.960 -0.567 3.419 1687TIP3 H156928 4.052 -0.590 3.409 1687TIP3 H256929 3.929 -0.562 3.328 1687TIP3 OH256930 3.334 -1.133 3.348 1687TIP3 H156931 3.429 -1.115 3.368 1687TIP3 H256932 3.340 -1.214 3.294 1687TIP3 OH256933 3.233 -0.612 3.826 1687TIP3 H156934 3.164 -0.653 3.771 1687TIP3 H256935 3.247 -0.682 3.894 1687TIP3 OH256936 3.266 -0.811 4.022 1687TIP3 H156937 3.247 -0.903 4.047 1687TIP3 H256938 3.305 -0.780 4.105 1687TIP3 OH256939 3.278 -1.508 4.260 1687TIP3 H156940 3.316 -1.481 4.174 1687TIP3 H256941 3.359 -1.515 4.314 1687TIP3 OH256942 3.356 -2.099 4.190 1687TIP3 H156943 3.386 -2.190 4.205 1687TIP3 H256944 3.407 -2.053 4.258 1687TIP3 OH256945 3.193 -1.811 4.302 1687TIP3 H156946 3.239 -1.847 4.224 1687TIP3 H256947 3.224 -1.719 4.300 1688TIP3 OH256948 3.251 -2.207 3.695 1688TIP3 H156949 3.156 -2.205 3.671 1688TIP3 H256950 3.291 -2.151 3.626 1688TIP3 OH256951 3.413 -0.778 4.265 1688TIP3 H156952 3.457 -0.781 4.352 1688TIP3 H256953 3.492 -0.800 4.209 1688TIP3 OH256954 3.627 -0.850 4.120 1688TIP3 H156955 3.617 -0.947 4.115 1688TIP3 H256956 3.723 -0.840 4.124 1688TIP3 OH256957 3.916 -0.816 4.213 1688TIP3 H156958 3.923 -0.908 4.181 1688TIP3 H256959 3.909 -0.831 4.308 1688TIP3 OH256960 4.274 -2.255 4.135 1688TIP3 H156961 4.193 -2.302 4.159 1688TIP3 H256962 4.293 -2.294 4.049 1688TIP3 OH256963 3.481 -2.355 3.888 1688TIP3 H156964 3.395 -2.367 3.843 1688TIP3 H256965 3.523 -2.442 3.872 1688TIP3 OH256966 3.369 -2.409 3.478 1688TIP3 H156967 3.414 -2.340 3.424 1688TIP3 H256968 3.315 -2.354 3.537 1688TIP3 OH256969 3.935 -2.378 3.886 1688TIP3 H156970 4.026 -2.344 3.876 1688TIP3 H256971 3.930 -2.386 3.982 1688TIP3 OH256972 3.352 -0.819 3.588 1688TIP3 H156973 3.296 -0.809 3.510 1688TIP3 H256974 3.390 -0.732 3.600 1688TIP3 OH256975 3.533 -2.225 3.321 1688TIP3 H156976 3.595 -2.278 3.267 1688TIP3 H256977 3.593 -2.191 3.390 1689TIP3 OH256978 4.072 -2.201 3.580 1689TIP3 H156979 4.067 -2.259 3.658 1689TIP3 H256980 4.051 -2.114 3.620 1689TIP3 OH256981 4.263 -0.645 3.398 1689TIP3 H156982 4.353 -0.612 3.383 1689TIP3 H256983 4.251 -0.706 3.324 1689TIP3 OH256984 3.528 -0.714 3.277 1689TIP3 H156985 3.504 -0.694 3.369 1689TIP3 H256986 3.603 -0.774 3.292 1689TIP3 OH256987 -3.168 0.402 3.923 1689TIP3 H156988 -3.161 0.498 3.930 1689TIP3 H256989 -3.237 0.393 3.855 1689TIP3 OH256990 -3.276 0.343 4.247 1689TIP3 H156991 -3.277 0.268 4.309 1689TIP3 H256992 -3.280 0.299 4.161 1689TIP3 OH256993 -2.921 0.621 4.036 1689TIP3 H156994 -2.957 0.552 4.093 1689TIP3 H256995 -2.876 0.672 4.107 1689TIP3 OH256996 -3.954 0.766 4.244 1689TIP3 H156997 -3.986 0.677 4.224 1689TIP3 H256998 -3.859 0.747 4.253 1689TIP3 OH256999 -4.220 0.147 3.651 1689TIP3 H157000 -4.246 0.220 3.708 1689TIP3 H257001 -4.296 0.088 3.657 1689TIP3 OH257002 -4.202 0.333 3.948 1689TIP3 H157003 -4.179 0.278 4.024 1689TIP3 H257004 -4.120 0.381 3.931 1689TIP3 OH257005 -3.208 1.162 4.114 1689TIP3 H157006 -3.149 1.094 4.078 1689TIP3 H257007 -3.235 1.125 4.200 1690TIP3 OH257008 -3.467 0.572 4.278 1690TIP3 H157009 -3.424 0.502 4.225 1690TIP3 H257010 -3.386 0.607 4.321 1690TIP3 OH257011 -3.117 0.046 4.321 1690TIP3 H157012 -3.075 -0.038 4.344 1690TIP3 H257013 -3.110 0.049 4.224 1690TIP3 OH257014 -3.809 -0.167 4.043 1690TIP3 H157015 -3.788 -0.084 3.996 1690TIP3 H257016 -3.840 -0.222 3.968 1690TIP3 OH257017 -3.017 -0.148 3.865 1690TIP3 H157018 -2.965 -0.188 3.939 1690TIP3 H257019 -2.946 -0.104 3.816 1690TIP3 OH257020 -4.120 0.101 4.102 1690TIP3 H157021 -4.078 0.044 4.168 1690TIP3 H257022 -4.108 0.048 4.022 1690TIP3 OH257023 -3.603 0.240 4.056 1690TIP3 H157024 -3.527 0.185 4.083 1690TIP3 H257025 -3.647 0.180 3.992 1690TIP3 OH257026 -3.169 0.689 3.792 1690TIP3 H157027 -3.203 0.666 3.705 1690TIP3 H257028 -3.215 0.773 3.811 1690TIP3 OH257029 -2.843 -0.206 4.067 1690TIP3 H157030 -2.844 -0.296 4.107 1690TIP3 H257031 -2.791 -0.160 4.135 1690TIP3 OH257032 -3.877 -0.076 4.298 1690TIP3 H157033 -3.900 0.015 4.279 1690TIP3 H257034 -3.884 -0.120 4.210 1690TIP3 OH257035 -4.183 0.651 3.630 1690TIP3 H157036 -4.263 0.670 3.578 1690TIP3 H257037 -4.190 0.714 3.704 1691TIP3 OH257038 -2.832 0.695 4.279 1691TIP3 H157039 -2.897 0.715 4.348 1691TIP3 H257040 -2.787 0.781 4.267 1691TIP3 OH257041 -3.510 -0.531 4.177 1691TIP3 H157042 -3.514 -0.628 4.183 1691TIP3 H257043 -3.593 -0.505 4.222 1691TIP3 OH257044 -3.028 1.000 3.956 1691TIP3 H157045 -2.978 0.918 3.938 1691TIP3 H257046 -2.955 1.065 3.954 1691TIP3 OH257047 -2.871 0.781 3.816 1691TIP3 H157048 -2.931 0.735 3.756 1691TIP3 H257049 -2.878 0.723 3.895 1691TIP3 OH257050 -3.296 0.359 3.642 1691TIP3 H157051 -3.362 0.417 3.600 1691TIP3 H257052 -3.223 0.360 3.578 1691TIP3 OH257053 -3.267 0.177 3.346 1691TIP3 H157054 -3.197 0.207 3.407 1691TIP3 H257055 -3.217 0.117 3.289 1691TIP3 OH257056 -2.946 0.356 3.750 1691TIP3 H157057 -3.011 0.379 3.820 1691TIP3 H257058 -2.884 0.300 3.800 1691TIP3 OH257059 -3.780 0.438 3.924 1691TIP3 H157060 -3.818 0.392 3.846 1691TIP3 H257061 -3.724 0.370 3.963 1691TIP3 OH257062 -3.681 0.753 4.157 1691TIP3 H157063 -3.660 0.712 4.072 1691TIP3 H257064 -3.599 0.742 4.206 1691TIP3 OH257065 -3.767 0.322 4.269 1691TIP3 H157066 -3.697 0.304 4.202 1691TIP3 H257067 -3.714 0.340 4.348 1692TIP3 OH257068 -3.050 0.303 3.494 1692TIP3 H157069 -3.003 0.329 3.576 1692TIP3 H257070 -2.999 0.354 3.427 1692TIP3 OH257071 -3.310 0.960 3.854 1692TIP3 H157072 -3.248 0.990 3.922 1692TIP3 H257073 -3.353 1.041 3.826 1692TIP3 OH257074 -2.705 -0.525 3.444 1692TIP3 H157075 -2.793 -0.516 3.485 1692TIP3 H257076 -2.670 -0.434 3.451 1692TIP3 OH257077 -3.894 0.309 3.681 1692TIP3 H157078 -3.917 0.384 3.623 1692TIP3 H257079 -3.958 0.242 3.654 1692TIP3 OH257080 -2.566 0.890 3.294 1692TIP3 H157081 -2.551 0.983 3.322 1692TIP3 H257082 -2.480 0.849 3.317 1692TIP3 OH257083 -4.290 0.869 4.215 1692TIP3 H157084 -4.210 0.822 4.241 1692TIP3 H257085 -4.303 0.923 4.294 1692TIP3 OH257086 -3.352 1.234 3.699 1692TIP3 H157087 -3.346 1.244 3.603 1692TIP3 H257088 -3.345 1.325 3.732 1692TIP3 OH257089 -3.978 1.146 3.863 1692TIP3 H157090 -3.952 1.104 3.948 1692TIP3 H257091 -4.056 1.093 3.842 1692TIP3 OH257092 -3.022 1.174 3.417 1692TIP3 H157093 -2.961 1.110 3.375 1692TIP3 H257094 -3.025 1.138 3.509 1692TIP3 OH257095 -3.081 1.117 3.695 1692TIP3 H157096 -3.175 1.130 3.715 1692TIP3 H257097 -3.057 1.052 3.763 1693TIP3 OH257098 -3.753 -0.441 4.291 1693TIP3 H157099 -3.836 -0.456 4.242 1693TIP3 H257100 -3.753 -0.345 4.306 1693TIP3 OH257101 -2.894 0.410 3.295 1693TIP3 H157102 -2.913 0.391 3.201 1693TIP3 H257103 -2.800 0.434 3.290 1693TIP3 OH257104 -3.331 -0.213 3.345 1693TIP3 H157105 -3.378 -0.228 3.428 1693TIP3 H257106 -3.371 -0.281 3.288 1693TIP3 OH257107 -3.767 0.065 3.883 1693TIP3 H157108 -3.863 0.057 3.865 1693TIP3 H257109 -3.731 0.043 3.795 1693TIP3 OH257110 -3.207 0.122 3.763 1693TIP3 H157111 -3.248 0.203 3.727 1693TIP3 H257112 -3.137 0.104 3.697 1693TIP3 OH257113 -3.128 0.061 4.042 1693TIP3 H157114 -3.155 0.116 3.965 1693TIP3 H257115 -3.105 -0.022 3.995 1693TIP3 OH257116 -3.689 -0.161 3.240 1693TIP3 H157117 -3.725 -0.205 3.319 1693TIP3 H257118 -3.766 -0.158 3.182 1693TIP3 OH257119 -4.316 -0.161 3.937 1693TIP3 H157120 -4.300 -0.185 4.030 1693TIP3 H257121 -4.286 -0.240 3.892 1693TIP3 OH257122 -4.209 -0.125 3.526 1693TIP3 H157123 -4.148 -0.100 3.455 1693TIP3 H257124 -4.293 -0.090 3.495 1693TIP3 OH257125 -3.499 -0.169 3.985 1693TIP3 H157126 -3.591 -0.186 4.012 1693TIP3 H257127 -3.450 -0.201 4.062 1694TIP3 OH257128 -4.038 -0.048 3.845 1694TIP3 H157129 -4.118 -0.042 3.790 1694TIP3 H257130 -4.001 -0.133 3.816 1694TIP3 OH257131 -3.671 -0.021 3.621 1694TIP3 H157132 -3.574 -0.016 3.629 1694TIP3 H257133 -3.693 0.041 3.549 1694TIP3 OH257134 -3.058 -0.314 4.282 1694TIP3 H157135 -3.091 -0.275 4.365 1694TIP3 H257136 -3.130 -0.302 4.220 1694TIP3 OH257137 -3.827 0.110 3.398 1694TIP3 H157138 -3.885 0.072 3.330 1694TIP3 H257139 -3.744 0.123 3.348 1694TIP3 OH257140 -3.403 0.064 4.192 1694TIP3 H157141 -3.331 0.033 4.135 1694TIP3 H257142 -3.397 0.000 4.265 1694TIP3 OH257143 -3.872 -0.285 3.793 1694TIP3 H157144 -3.917 -0.370 3.799 1694TIP3 H257145 -3.791 -0.308 3.745 1694TIP3 OH257146 -3.481 0.565 3.581 1694TIP3 H157147 -3.556 0.512 3.547 1694TIP3 H257148 -3.497 0.564 3.678 1694TIP3 OH257149 -3.062 -0.153 3.357 1694TIP3 H157150 -3.160 -0.157 3.356 1694TIP3 H257151 -3.043 -0.083 3.423 1694TIP3 OH257152 -2.994 0.027 3.563 1694TIP3 H157153 -2.908 0.010 3.605 1694TIP3 H257154 -2.981 0.115 3.523 1694TIP3 OH257155 -3.975 0.459 4.159 1694TIP3 H157156 -3.911 0.481 4.089 1694TIP3 H257157 -3.919 0.400 4.213 1695TIP3 OH257158 -3.239 0.699 3.472 1695TIP3 H157159 -3.263 0.784 3.513 1695TIP3 H257160 -3.312 0.642 3.501 1695TIP3 OH257161 -2.534 0.024 3.538 1695TIP3 H157162 -2.592 0.007 3.461 1695TIP3 H257163 -2.522 0.121 3.526 1695TIP3 OH257164 -2.721 0.886 3.542 1695TIP3 H157165 -2.739 0.814 3.605 1695TIP3 H257166 -2.657 0.847 3.481 1695TIP3 OH257167 -3.006 0.438 4.245 1695TIP3 H157168 -3.092 0.402 4.271 1695TIP3 H257169 -2.964 0.361 4.201 1695TIP3 OH257170 -3.726 0.827 3.871 1695TIP3 H157171 -3.685 0.915 3.875 1695TIP3 H257172 -3.820 0.850 3.865 1695TIP3 OH257173 -4.152 0.327 3.358 1695TIP3 H157174 -4.080 0.381 3.398 1695TIP3 H257175 -4.228 0.383 3.378 1695TIP3 OH257176 -3.543 0.599 3.861 1695TIP3 H157177 -3.578 0.690 3.861 1695TIP3 H257178 -3.620 0.549 3.893 1695TIP3 OH257179 -3.681 1.122 3.810 1695TIP3 H157180 -3.777 1.135 3.820 1695TIP3 H257181 -3.646 1.208 3.839 1695TIP3 OH257182 -2.970 0.729 3.336 1695TIP3 H157183 -2.926 0.685 3.411 1695TIP3 H257184 -3.062 0.715 3.362 1695TIP3 OH257185 -2.495 1.156 3.389 1695TIP3 H157186 -2.426 1.221 3.370 1695TIP3 H257187 -2.572 1.215 3.393 1696TIP3 OH257188 -2.873 0.589 3.572 1696TIP3 H157189 -2.900 0.519 3.634 1696TIP3 H257190 -2.777 0.590 3.584 1696TIP3 OH257191 -3.546 0.834 3.193 1696TIP3 H157192 -3.515 0.755 3.145 1696TIP3 H257193 -3.587 0.794 3.271 1696TIP3 OH257194 -3.664 0.786 3.466 1696TIP3 H157195 -3.611 0.732 3.527 1696TIP3 H257196 -3.647 0.877 3.500 1696TIP3 OH257197 -3.987 0.528 3.498 1696TIP3 H157198 -4.056 0.568 3.556 1696TIP3 H257199 -3.935 0.607 3.478 1696TIP3 OH257200 -3.145 -0.278 3.632 1696TIP3 H157201 -3.126 -0.223 3.555 1696TIP3 H257202 -3.101 -0.229 3.704 1696TIP3 OH257203 -3.366 0.948 3.528 1696TIP3 H157204 -3.447 0.998 3.546 1696TIP3 H257205 -3.329 0.996 3.453 1696TIP3 OH257206 -3.407 -0.076 3.726 1696TIP3 H157207 -3.329 -0.020 3.743 1696TIP3 H257208 -3.435 -0.098 3.817 1696TIP3 OH257209 -3.351 -0.377 3.816 1696TIP3 H157210 -3.359 -0.318 3.893 1696TIP3 H257211 -3.273 -0.340 3.772 1696TIP3 OH257212 -3.646 1.057 3.527 1696TIP3 H157213 -3.653 1.140 3.475 1696TIP3 H257214 -3.658 1.089 3.619 1696TIP3 OH257215 -3.774 -0.277 3.480 1696TIP3 H157216 -3.766 -0.197 3.535 1696TIP3 H257217 -3.692 -0.325 3.505 1697TIP3 OH257218 -2.896 0.202 4.137 1697TIP3 H157219 -2.975 0.152 4.108 1697TIP3 H257220 -2.839 0.130 4.173 1697TIP3 OH257221 -3.930 0.817 3.379 1697TIP3 H157222 -3.853 0.855 3.424 1697TIP3 H257223 -3.885 0.757 3.318 1697TIP3 OH257224 -4.109 0.030 3.293 1697TIP3 H157225 -4.110 0.122 3.322 1697TIP3 H257226 -4.195 0.016 3.252 1697TIP3 OH257227 -2.796 1.168 4.362 1697TIP3 H157228 -2.825 1.224 4.287 1697TIP3 H257229 -2.701 1.173 4.348 1697TIP3 OH257230 -4.024 -0.483 4.168 1697TIP3 H157231 -4.057 -0.478 4.076 1697TIP3 H257232 -4.075 -0.556 4.205 1697TIP3 OH257233 -4.137 0.891 3.798 1697TIP3 H157234 -4.227 0.925 3.802 1697TIP3 H257235 -4.103 0.930 3.716 1697TIP3 OH257236 -3.323 1.006 3.242 1697TIP3 H157237 -3.398 0.942 3.234 1697TIP3 H257238 -3.251 0.951 3.208 1697TIP3 OH257239 -2.860 0.995 3.252 1697TIP3 H157240 -2.845 0.917 3.309 1697TIP3 H257241 -2.778 0.998 3.201 1697TIP3 OH257242 -3.781 0.577 3.228 1697TIP3 H157243 -3.763 0.518 3.303 1697TIP3 H257244 -3.695 0.574 3.181 1697TIP3 OH257245 -3.258 0.711 3.189 1697TIP3 H157246 -3.260 0.706 3.286 1697TIP3 H257247 -3.261 0.615 3.167 1698TIP3 OH257248 -3.674 0.388 3.461 1698TIP3 H157249 -3.733 0.335 3.517 1698TIP3 H257250 -3.642 0.320 3.398 1698TIP3 OH257251 -3.575 0.190 3.288 1698TIP3 H157252 -3.579 0.195 3.191 1698TIP3 H257253 -3.479 0.184 3.303 1698TIP3 OH257254 -2.624 0.440 3.219 1698TIP3 H157255 -2.636 0.397 3.134 1698TIP3 H257256 -2.636 0.534 3.196 1698TIP3 OH257257 -3.601 1.315 3.398 1698TIP3 H157258 -3.505 1.321 3.411 1698TIP3 H257259 -3.610 1.349 3.308 1698TIP3 OH257260 -4.199 0.801 3.305 1698TIP3 H157261 -4.122 0.796 3.364 1698TIP3 H257262 -4.217 0.708 3.284 1698TIP3 OH257263 -4.275 1.078 4.017 1698TIP3 H157264 -4.276 0.988 4.054 1698TIP3 H257265 -4.245 1.125 4.097 1698TIP3 OH257266 -2.518 1.209 4.286 1698TIP3 H157267 -2.510 1.183 4.379 1698TIP3 H257268 -2.425 1.217 4.261 1698TIP3 OH257269 -2.585 0.576 3.613 1698TIP3 H157270 -2.494 0.608 3.631 1698TIP3 H257271 -2.595 0.514 3.686 1698TIP3 OH257272 -2.537 0.370 3.812 1698TIP3 H157273 -2.606 0.317 3.855 1698TIP3 H257274 -2.471 0.382 3.883 1698TIP3 OH257275 -2.548 0.606 4.337 1698TIP3 H157276 -2.501 0.552 4.272 1698TIP3 H257277 -2.565 0.689 4.290 1699TIP3 OH257278 -2.513 0.317 3.468 1699TIP3 H157279 -2.565 0.347 3.391 1699TIP3 H257280 -2.527 0.391 3.529 1699TIP3 OH257281 -2.689 0.074 3.294 1699TIP3 H157282 -2.662 0.131 3.222 1699TIP3 H257283 -2.712 -0.009 3.249 1699TIP3 OH257284 -2.751 0.186 3.892 1699TIP3 H157285 -2.754 0.090 3.879 1699TIP3 H257286 -2.784 0.196 3.983 1699TIP3 OH257287 -4.229 0.441 4.306 1699TIP3 H157288 -4.240 0.441 4.209 1699TIP3 H257289 -4.141 0.403 4.315 1699TIP3 OH257290 -2.740 -0.192 3.215 1699TIP3 H157291 -2.682 -0.242 3.275 1699TIP3 H257292 -2.820 -0.246 3.210 1699TIP3 OH257293 -2.760 -0.064 3.709 1699TIP3 H157294 -2.736 -0.159 3.716 1699TIP3 H257295 -2.678 -0.029 3.669 1699TIP3 OH257296 -2.736 0.009 4.222 1699TIP3 H157297 -2.640 0.000 4.239 1699TIP3 H257298 -2.774 -0.026 4.305 1699TIP3 OH257299 -2.712 -0.344 3.707 1699TIP3 H157300 -2.702 -0.376 3.798 1699TIP3 H257301 -2.793 -0.392 3.678 1699TIP3 OH257302 -4.171 -0.192 4.198 1699TIP3 H157303 -4.174 -0.288 4.209 1699TIP3 H257304 -4.105 -0.169 4.265 1699TIP3 OH257305 -4.347 0.062 4.318 1699TIP3 H157306 -4.312 0.010 4.244 1699TIP3 H257307 -4.288 0.139 4.317 1700TIP3 OH257308 -2.516 -0.294 3.372 1700TIP3 H157309 -2.484 -0.376 3.330 1700TIP3 H257310 -2.433 -0.244 3.384 1700TIP3 OH257311 -4.316 -0.341 3.649 1700TIP3 H157312 -4.402 -0.317 3.611 1700TIP3 H257313 -4.259 -0.269 3.614 1700TIP3 OH257314 -2.833 1.208 3.899 1700TIP3 H157315 -2.780 1.178 3.823 1700TIP3 H257316 -2.764 1.241 3.959 1700TIP3 OH257317 -4.155 1.122 4.264 1700TIP3 H157318 -4.128 1.118 4.358 1700TIP3 H257319 -4.069 1.102 4.223 1700TIP3 OH257320 -3.909 1.023 4.115 1700TIP3 H157321 -3.924 0.931 4.146 1700TIP3 H257322 -3.820 1.041 4.149 1700TIP3 OH257323 -3.634 1.069 4.213 1700TIP3 H157324 -3.609 0.981 4.182 1700TIP3 H257325 -3.626 1.058 4.308 1700TIP3 OH257326 -3.303 -0.331 4.122 1700TIP3 H157327 -3.360 -0.405 4.153 1700TIP3 H257328 -3.231 -0.381 4.077 1700TIP3 OH257329 -2.805 -0.458 4.149 1700TIP3 H157330 -2.722 -0.502 4.128 1700TIP3 H257331 -2.874 -0.521 4.124 1700TIP3 OH257332 -2.588 -0.430 3.955 1700TIP3 H157333 -2.513 -0.467 3.905 1700TIP3 H257334 -2.560 -0.338 3.973 1700TIP3 OH257335 -4.107 -0.483 3.885 1700TIP3 H157336 -4.181 -0.511 3.830 1700TIP3 H257337 -4.046 -0.558 3.875 1701TIP3 OH257338 -4.180 -0.523 3.470 1701TIP3 H157339 -4.132 -0.455 3.420 1701TIP3 H257340 -4.234 -0.468 3.530 1701TIP3 OH257341 -3.612 -0.492 3.891 1701TIP3 H157342 -3.523 -0.459 3.872 1701TIP3 H257343 -3.608 -0.504 3.987 1701TIP3 OH257344 -3.081 -0.478 3.998 1701TIP3 H157345 -3.030 -0.504 3.920 1701TIP3 H257346 -3.099 -0.563 4.041 1701TIP3 OH257347 -2.944 -0.484 3.616 1701TIP3 H157348 -3.026 -0.432 3.604 1701TIP3 H257349 -2.980 -0.573 3.629 1701TIP3 OH257350 -4.189 1.079 3.573 1701TIP3 H157351 -4.251 1.062 3.501 1701TIP3 H257352 -4.183 1.176 3.571 1701TIP3 OH257353 -4.004 -0.329 3.320 1701TIP3 H157354 -3.951 -0.394 3.271 1701TIP3 H257355 -3.942 -0.306 3.392 1701TIP3 OH257356 -3.501 -0.320 3.583 1701TIP3 H157357 -3.463 -0.378 3.652 1701TIP3 H257358 -3.479 -0.234 3.621 1701TIP3 OH257359 -3.296 1.260 3.402 1701TIP3 H157360 -3.198 1.260 3.401 1701TIP3 H257361 -3.313 1.190 3.336 1701TIP3 OH257362 -2.645 1.161 3.664 1701TIP3 H157363 -2.669 1.078 3.618 1701TIP3 H257364 -2.648 1.225 3.591 1701TIP3 OH257365 -4.009 1.182 3.272 1701TIP3 H157366 -4.040 1.195 3.363 1701TIP3 H257367 -3.943 1.112 3.283 1702TIP3 OH257368 -1.282 0.402 3.922 1702TIP3 H157369 -1.276 0.499 3.930 1702TIP3 H257370 -1.352 0.392 3.856 1702TIP3 OH257371 -1.385 0.342 4.246 1702TIP3 H157372 -1.390 0.268 4.309 1702TIP3 H257373 -1.397 0.298 4.161 1702TIP3 OH257374 -1.026 0.617 4.043 1702TIP3 H157375 -1.064 0.552 4.104 1702TIP3 H257376 -0.992 0.680 4.110 1702TIP3 OH257377 -2.074 0.765 4.247 1702TIP3 H157378 -2.101 0.674 4.223 1702TIP3 H257379 -1.978 0.749 4.258 1702TIP3 OH257380 -2.376 0.115 3.776 1702TIP3 H157381 -2.419 0.201 3.787 1702TIP3 H257382 -2.449 0.061 3.742 1702TIP3 OH257383 -2.302 0.350 3.974 1702TIP3 H157384 -2.281 0.272 4.030 1702TIP3 H257385 -2.218 0.361 3.927 1702TIP3 OH257386 -1.324 1.159 4.113 1702TIP3 H157387 -1.260 1.092 4.083 1702TIP3 H257388 -1.350 1.127 4.201 1702TIP3 OH257389 -1.582 0.570 4.277 1702TIP3 H157390 -1.537 0.503 4.223 1702TIP3 H257391 -1.502 0.607 4.321 1702TIP3 OH257392 -1.232 0.045 4.322 1702TIP3 H157393 -1.189 -0.040 4.342 1702TIP3 H257394 -1.225 0.050 4.225 1702TIP3 OH257395 -1.921 -0.168 4.042 1702TIP3 H157396 -1.904 -0.083 3.997 1702TIP3 H257397 -1.953 -0.221 3.966 1703TIP3 OH257398 -1.132 -0.148 3.864 1703TIP3 H157399 -1.079 -0.187 3.938 1703TIP3 H257400 -1.061 -0.103 3.816 1703TIP3 OH257401 -2.221 0.100 4.099 1703TIP3 H157402 -2.181 0.034 4.157 1703TIP3 H257403 -2.221 0.052 4.014 1703TIP3 OH257404 -1.716 0.240 4.055 1703TIP3 H157405 -1.641 0.184 4.083 1703TIP3 H257406 -1.761 0.181 3.991 1703TIP3 OH257407 -1.283 0.690 3.792 1703TIP3 H157408 -1.318 0.667 3.706 1703TIP3 H257409 -1.329 0.774 3.812 1703TIP3 OH257410 -0.957 -0.202 4.065 1703TIP3 H157411 -0.957 -0.294 4.100 1703TIP3 H257412 -0.906 -0.159 4.136 1703TIP3 OH257413 -1.995 -0.076 4.298 1703TIP3 H157414 -2.014 0.016 4.278 1703TIP3 H257415 -2.000 -0.121 4.211 1703TIP3 OH257416 -2.308 0.659 3.627 1703TIP3 H157417 -2.330 0.710 3.547 1703TIP3 H257418 -2.293 0.729 3.694 1703TIP3 OH257419 -0.956 0.765 4.252 1703TIP3 H157420 -1.021 0.757 4.324 1703TIP3 H257421 -0.904 0.840 4.281 1703TIP3 OH257422 -1.624 -0.530 4.177 1703TIP3 H157423 -1.629 -0.627 4.183 1703TIP3 H257424 -1.707 -0.505 4.222 1703TIP3 OH257425 -1.134 1.000 3.961 1703TIP3 H157426 -1.088 0.919 3.934 1703TIP3 H257427 -1.067 1.068 3.941 1704TIP3 OH257428 -0.987 0.781 3.821 1704TIP3 H157429 -1.045 0.736 3.759 1704TIP3 H257430 -0.993 0.721 3.898 1704TIP3 OH257431 -1.410 0.357 3.642 1704TIP3 H157432 -1.476 0.417 3.603 1704TIP3 H257433 -1.338 0.361 3.577 1704TIP3 OH257434 -1.381 0.179 3.343 1704TIP3 H157435 -1.313 0.207 3.407 1704TIP3 H257436 -1.330 0.117 3.289 1704TIP3 OH257437 -1.060 0.356 3.750 1704TIP3 H157438 -1.126 0.379 3.820 1704TIP3 H257439 -0.999 0.300 3.801 1704TIP3 OH257440 -1.896 0.438 3.924 1704TIP3 H157441 -1.933 0.392 3.846 1704TIP3 H257442 -1.840 0.370 3.964 1704TIP3 OH257443 -1.798 0.756 4.155 1704TIP3 H157444 -1.774 0.711 4.073 1704TIP3 H257445 -1.718 0.746 4.209 1704TIP3 OH257446 -1.880 0.323 4.270 1704TIP3 H157447 -1.811 0.307 4.202 1704TIP3 H257448 -1.827 0.343 4.348 1704TIP3 OH257449 -1.163 0.303 3.494 1704TIP3 H157450 -1.117 0.329 3.577 1704TIP3 H257451 -1.113 0.354 3.427 1704TIP3 OH257452 -1.418 0.961 3.852 1704TIP3 H157453 -1.369 0.993 3.929 1704TIP3 H257454 -1.468 1.039 3.825 1704TIP3 OH257455 -0.814 -0.535 3.455 1704TIP3 H157456 -0.907 -0.518 3.482 1704TIP3 H257457 -0.781 -0.444 3.445 1705TIP3 OH257458 -2.006 0.309 3.681 1705TIP3 H157459 -2.029 0.384 3.623 1705TIP3 H257460 -2.071 0.243 3.655 1705TIP3 OH257461 -0.682 0.892 3.301 1705TIP3 H157462 -0.661 0.986 3.316 1705TIP3 H257463 -0.595 0.850 3.320 1705TIP3 OH257464 -2.385 0.854 4.229 1705TIP3 H157465 -2.290 0.846 4.246 1705TIP3 H257466 -2.412 0.924 4.290 1705TIP3 OH257467 -1.463 1.233 3.699 1705TIP3 H157468 -1.462 1.246 3.602 1705TIP3 H257469 -1.461 1.324 3.733 1705TIP3 OH257470 -2.082 1.146 3.862 1705TIP3 H157471 -2.068 1.100 3.947 1705TIP3 H257472 -2.167 1.110 3.834 1705TIP3 OH257473 -1.135 1.175 3.416 1705TIP3 H157474 -1.076 1.110 3.375 1705TIP3 H257475 -1.141 1.141 3.508 1705TIP3 OH257476 -1.197 1.117 3.692 1705TIP3 H157477 -1.291 1.132 3.713 1705TIP3 H257478 -1.175 1.051 3.760 1705TIP3 OH257479 -1.867 -0.440 4.290 1705TIP3 H157480 -1.951 -0.451 4.242 1705TIP3 H257481 -1.864 -0.345 4.308 1705TIP3 OH257482 -1.010 0.410 3.293 1705TIP3 H157483 -1.026 0.389 3.200 1705TIP3 H257484 -0.915 0.434 3.290 1705TIP3 OH257485 -1.445 -0.213 3.345 1705TIP3 H157486 -1.494 -0.228 3.427 1705TIP3 H257487 -1.485 -0.281 3.288 1706TIP3 OH257488 -1.879 0.067 3.883 1706TIP3 H157489 -1.975 0.056 3.868 1706TIP3 H257490 -1.845 0.042 3.795 1706TIP3 OH257491 -1.321 0.121 3.764 1706TIP3 H157492 -1.362 0.203 3.728 1706TIP3 H257493 -1.252 0.104 3.697 1706TIP3 OH257494 -1.242 0.061 4.042 1706TIP3 H157495 -1.269 0.116 3.966 1706TIP3 H257496 -1.220 -0.022 3.996 1706TIP3 OH257497 -1.803 -0.164 3.235 1706TIP3 H157498 -1.836 -0.202 3.319 1706TIP3 H257499 -1.883 -0.159 3.182 1706TIP3 OH257500 -2.450 -0.173 3.941 1706TIP3 H157501 -2.397 -0.184 4.022 1706TIP3 H257502 -2.402 -0.222 3.874 1706TIP3 OH257503 -2.298 -0.139 3.512 1706TIP3 H157504 -2.243 -0.089 3.449 1706TIP3 H257505 -2.367 -0.073 3.532 1706TIP3 OH257506 -1.613 -0.170 3.984 1706TIP3 H157507 -1.706 -0.184 4.009 1706TIP3 H257508 -1.566 -0.201 4.064 1706TIP3 OH257509 -2.146 -0.052 3.852 1706TIP3 H157510 -2.230 -0.026 3.809 1706TIP3 H257511 -2.120 -0.132 3.803 1706TIP3 OH257512 -1.785 -0.022 3.621 1706TIP3 H157513 -1.688 -0.014 3.627 1706TIP3 H257514 -1.809 0.040 3.550 1706TIP3 OH257515 -1.170 -0.311 4.282 1706TIP3 H157516 -1.206 -0.276 4.365 1706TIP3 H257517 -1.244 -0.304 4.220 1707TIP3 OH257518 -1.940 0.106 3.399 1707TIP3 H157519 -2.000 0.073 3.330 1707TIP3 H257520 -1.859 0.122 3.349 1707TIP3 OH257521 -1.516 0.065 4.192 1707TIP3 H157522 -1.445 0.032 4.135 1707TIP3 H257523 -1.513 0.001 4.264 1707TIP3 OH257524 -1.972 -0.281 3.785 1707TIP3 H157525 -2.028 -0.359 3.800 1707TIP3 H257526 -1.892 -0.320 3.748 1707TIP3 OH257527 -1.593 0.562 3.582 1707TIP3 H157528 -1.669 0.511 3.547 1707TIP3 H257529 -1.612 0.565 3.679 1707TIP3 OH257530 -1.176 -0.153 3.357 1707TIP3 H157531 -1.275 -0.157 3.356 1707TIP3 H257532 -1.158 -0.083 3.423 1707TIP3 OH257533 -1.109 0.028 3.563 1707TIP3 H157534 -1.022 0.010 3.605 1707TIP3 H257535 -1.096 0.116 3.523 1707TIP3 OH257536 -2.092 0.474 4.175 1707TIP3 H157537 -2.034 0.484 4.098 1707TIP3 H257538 -2.044 0.404 4.223 1707TIP3 OH257539 -1.354 0.698 3.472 1707TIP3 H157540 -1.379 0.784 3.512 1707TIP3 H257541 -1.428 0.643 3.502 1707TIP3 OH257542 -0.649 0.025 3.539 1707TIP3 H157543 -0.705 0.007 3.462 1707TIP3 H257544 -0.637 0.122 3.526 1707TIP3 OH257545 -0.836 0.891 3.546 1707TIP3 H157546 -0.852 0.815 3.605 1707TIP3 H257547 -0.774 0.855 3.481 1708TIP3 OH257548 -1.115 0.436 4.248 1708TIP3 H157549 -1.206 0.406 4.269 1708TIP3 H257550 -1.079 0.359 4.200 1708TIP3 OH257551 -1.839 0.827 3.868 1708TIP3 H157552 -1.800 0.915 3.874 1708TIP3 H257553 -1.934 0.848 3.866 1708TIP3 OH257554 -2.243 0.310 3.350 1708TIP3 H157555 -2.184 0.377 3.391 1708TIP3 H257556 -2.329 0.335 3.386 1708TIP3 OH257557 -1.658 0.599 3.860 1708TIP3 H157558 -1.693 0.690 3.861 1708TIP3 H257559 -1.734 0.549 3.892 1708TIP3 OH257560 -1.796 1.121 3.811 1708TIP3 H157561 -1.892 1.135 3.820 1708TIP3 H257562 -1.762 1.209 3.838 1708TIP3 OH257563 -1.086 0.729 3.336 1708TIP3 H157564 -1.041 0.685 3.410 1708TIP3 H257565 -1.178 0.715 3.364 1708TIP3 OH257566 -0.596 1.165 3.364 1708TIP3 H157567 -0.525 1.232 3.372 1708TIP3 H257568 -0.672 1.217 3.394 1708TIP3 OH257569 -0.987 0.589 3.572 1708TIP3 H157570 -1.014 0.520 3.634 1708TIP3 H257571 -0.891 0.591 3.583 1708TIP3 OH257572 -1.660 0.831 3.189 1708TIP3 H157573 -1.626 0.749 3.149 1708TIP3 H257574 -1.701 0.797 3.270 1708TIP3 OH257575 -1.773 0.787 3.462 1708TIP3 H157576 -1.726 0.733 3.528 1708TIP3 H257577 -1.761 0.877 3.497 1709TIP3 OH257578 -2.091 0.531 3.503 1709TIP3 H157579 -2.164 0.568 3.557 1709TIP3 H257580 -2.044 0.613 3.479 1709TIP3 OH257581 -1.256 -0.280 3.632 1709TIP3 H157582 -1.241 -0.223 3.555 1709TIP3 H257583 -1.216 -0.229 3.704 1709TIP3 OH257584 -1.482 0.946 3.526 1709TIP3 H157585 -1.562 0.997 3.548 1709TIP3 H257586 -1.442 1.000 3.457 1709TIP3 OH257587 -1.520 -0.077 3.727 1709TIP3 H157588 -1.443 -0.020 3.744 1709TIP3 H257589 -1.550 -0.098 3.817 1709TIP3 OH257590 -1.466 -0.377 3.817 1709TIP3 H157591 -1.475 -0.317 3.892 1709TIP3 H257592 -1.387 -0.340 3.773 1709TIP3 OH257593 -1.760 1.057 3.527 1709TIP3 H157594 -1.766 1.139 3.474 1709TIP3 H257595 -1.775 1.089 3.618 1709TIP3 OH257596 -1.887 -0.276 3.473 1709TIP3 H157597 -1.886 -0.202 3.536 1709TIP3 H257598 -1.807 -0.325 3.501 1709TIP3 OH257599 -1.011 0.202 4.135 1709TIP3 H157600 -1.090 0.152 4.108 1709TIP3 H257601 -0.954 0.130 4.172 1709TIP3 OH257602 -2.047 0.813 3.377 1709TIP3 H157603 -1.975 0.862 3.420 1709TIP3 H257604 -1.995 0.759 3.315 1709TIP3 OH257605 -2.230 0.031 3.290 1709TIP3 H157606 -2.222 0.125 3.316 1709TIP3 H257607 -2.319 0.028 3.254 1710TIP3 OH257608 -0.881 1.179 4.318 1710TIP3 H157609 -0.908 1.224 4.236 1710TIP3 H257610 -0.794 1.145 4.290 1710TIP3 OH257611 -2.144 -0.471 4.172 1710TIP3 H157612 -2.159 -0.467 4.075 1710TIP3 H257613 -2.179 -0.557 4.196 1710TIP3 OH257614 -2.254 0.879 3.797 1710TIP3 H157615 -2.329 0.933 3.826 1710TIP3 H257616 -2.215 0.936 3.729 1710TIP3 OH257617 -1.438 1.007 3.239 1710TIP3 H157618 -1.513 0.944 3.236 1710TIP3 H257619 -1.366 0.949 3.208 1710TIP3 OH257620 -0.975 0.994 3.251 1710TIP3 H157621 -0.959 0.917 3.308 1710TIP3 H257622 -0.893 0.999 3.201 1710TIP3 OH257623 -1.893 0.578 3.227 1710TIP3 H157624 -1.880 0.520 3.303 1710TIP3 H257625 -1.806 0.571 3.184 1710TIP3 OH257626 -1.372 0.712 3.188 1710TIP3 H157627 -1.373 0.706 3.286 1710TIP3 H257628 -1.378 0.617 3.166 1710TIP3 OH257629 -1.786 0.387 3.461 1710TIP3 H157630 -1.848 0.337 3.516 1710TIP3 H257631 -1.756 0.318 3.398 1710TIP3 OH257632 -1.690 0.189 3.288 1710TIP3 H157633 -1.695 0.192 3.191 1710TIP3 H257634 -1.593 0.184 3.303 1710TIP3 OH257635 -0.741 0.439 3.221 1710TIP3 H157636 -0.746 0.396 3.134 1710TIP3 H257637 -0.747 0.534 3.196 1711TIP3 OH257638 -1.713 1.309 3.395 1711TIP3 H157639 -1.618 1.323 3.409 1711TIP3 H257640 -1.727 1.359 3.314 1711TIP3 OH257641 -2.323 0.752 3.350 1711TIP3 H157642 -2.228 0.770 3.364 1711TIP3 H257643 -2.320 0.673 3.292 1711TIP3 OH257644 -2.418 1.266 3.822 1711TIP3 H157645 -2.494 1.233 3.770 1711TIP3 H257646 -2.414 1.200 3.894 1711TIP3 OH257647 -2.382 1.070 4.021 1711TIP3 H157648 -2.414 0.982 4.049 1711TIP3 H257649 -2.349 1.101 4.107 1711TIP3 OH257650 -0.619 1.162 4.283 1711TIP3 H157651 -0.661 1.215 4.352 1711TIP3 H257652 -0.549 1.223 4.256 1711TIP3 OH257653 -0.701 0.577 3.613 1711TIP3 H157654 -0.610 0.610 3.629 1711TIP3 H257655 -0.709 0.514 3.686 1711TIP3 OH257656 -0.644 0.365 3.816 1711TIP3 H157657 -0.720 0.316 3.855 1711TIP3 H257658 -0.590 0.386 3.894 1711TIP3 OH257659 -0.688 0.602 4.329 1711TIP3 H157660 -0.621 0.557 4.277 1711TIP3 H257661 -0.690 0.691 4.291 1711TIP3 OH257662 -0.631 0.316 3.470 1711TIP3 H157663 -0.680 0.345 3.391 1711TIP3 H257664 -0.640 0.393 3.528 1711TIP3 OH257665 -0.805 0.075 3.294 1711TIP3 H157666 -0.774 0.132 3.222 1711TIP3 H257667 -0.827 -0.008 3.248 1712TIP3 OH257668 -0.863 0.188 3.892 1712TIP3 H157669 -0.867 0.092 3.878 1712TIP3 H257670 -0.899 0.197 3.983 1712TIP3 OH257671 -2.376 0.367 4.260 1712TIP3 H157672 -2.339 0.401 4.177 1712TIP3 H257673 -2.299 0.370 4.319 1712TIP3 OH257674 -0.855 -0.191 3.216 1712TIP3 H157675 -0.797 -0.243 3.275 1712TIP3 H257676 -0.935 -0.245 3.208 1712TIP3 OH257677 -0.874 -0.064 3.709 1712TIP3 H157678 -0.850 -0.159 3.716 1712TIP3 H257679 -0.793 -0.028 3.669 1712TIP3 OH257680 -0.850 0.010 4.224 1712TIP3 H157681 -0.755 0.000 4.240 1712TIP3 H257682 -0.890 -0.026 4.305 1712TIP3 OH257683 -0.826 -0.347 3.707 1712TIP3 H157684 -0.823 -0.374 3.801 1712TIP3 H257685 -0.907 -0.392 3.677 1712TIP3 OH257686 -2.300 -0.211 4.191 1712TIP3 H157687 -2.274 -0.304 4.203 1712TIP3 H257688 -2.246 -0.169 4.258 1712TIP3 OH257689 -2.461 0.073 4.303 1712TIP3 H157690 -2.419 0.037 4.223 1712TIP3 H257691 -2.435 0.167 4.297 1712TIP3 OH257692 -0.631 -0.298 3.375 1712TIP3 H157693 -0.598 -0.377 3.330 1712TIP3 H257694 -0.549 -0.245 3.384 1712TIP3 OH257695 -2.405 -0.325 3.692 1712TIP3 H157696 -2.500 -0.318 3.673 1712TIP3 H257697 -2.365 -0.263 3.628 1713TIP3 OH257698 -0.946 1.194 3.870 1713TIP3 H157699 -0.869 1.157 3.824 1713TIP3 H257700 -0.905 1.245 3.943 1713TIP3 OH257701 -2.245 1.114 4.260 1713TIP3 H157702 -2.211 1.112 4.352 1713TIP3 H257703 -2.162 1.091 4.213 1713TIP3 OH257704 -2.020 1.020 4.117 1713TIP3 H157705 -2.031 0.926 4.143 1713TIP3 H257706 -1.928 1.037 4.147 1713TIP3 OH257707 -1.751 1.068 4.213 1713TIP3 H157708 -1.720 0.980 4.184 1713TIP3 H257709 -1.739 1.060 4.308 1713TIP3 OH257710 -1.415 -0.332 4.125 1713TIP3 H157711 -1.474 -0.405 4.153 1713TIP3 H257712 -1.346 -0.381 4.076 1713TIP3 OH257713 -0.919 -0.457 4.128 1713TIP3 H157714 -0.841 -0.510 4.150 1713TIP3 H257715 -0.990 -0.521 4.140 1713TIP3 OH257716 -0.692 -0.433 3.953 1713TIP3 H157717 -0.618 -0.449 3.894 1713TIP3 H257718 -0.679 -0.340 3.978 1713TIP3 OH257719 -2.176 -0.470 3.888 1713TIP3 H157720 -2.262 -0.484 3.843 1713TIP3 H257721 -2.133 -0.556 3.874 1713TIP3 OH257722 -2.295 -0.521 3.477 1713TIP3 H157723 -2.244 -0.455 3.426 1713TIP3 H257724 -2.335 -0.467 3.547 1713TIP3 OH257725 -1.726 -0.493 3.890 1713TIP3 H157726 -1.637 -0.459 3.872 1713TIP3 H257727 -1.723 -0.503 3.987 1714TIP3 OH257728 -1.200 -0.478 3.997 1714TIP3 H157729 -1.145 -0.503 3.922 1714TIP3 H257730 -1.214 -0.563 4.042 1714TIP3 OH257731 -1.058 -0.484 3.614 1714TIP3 H157732 -1.138 -0.430 3.605 1714TIP3 H257733 -1.097 -0.572 3.628 1714TIP3 OH257734 -2.275 1.075 3.591 1714TIP3 H157735 -2.341 1.064 3.521 1714TIP3 H257736 -2.278 1.170 3.604 1714TIP3 OH257737 -2.123 -0.338 3.320 1714TIP3 H157738 -2.063 -0.396 3.270 1714TIP3 H257739 -2.063 -0.306 3.391 1714TIP3 OH257740 -1.614 -0.320 3.583 1714TIP3 H157741 -1.577 -0.376 3.653 1714TIP3 H257742 -1.596 -0.233 3.620 1714TIP3 OH257743 -1.410 1.259 3.404 1714TIP3 H157744 -1.312 1.259 3.402 1714TIP3 H257745 -1.429 1.192 3.337 1714TIP3 OH257746 -0.730 1.158 3.654 1714TIP3 H157747 -0.767 1.077 3.613 1714TIP3 H257748 -0.766 1.228 3.598 1714TIP3 OH257749 -2.134 1.168 3.271 1714TIP3 H157750 -2.160 1.198 3.359 1714TIP3 H257751 -2.055 1.114 3.291 1714TIP3 OH257752 0.636 0.430 3.859 1714TIP3 H157753 0.628 0.525 3.882 1714TIP3 H257754 0.545 0.407 3.836 1714TIP3 OH257755 0.553 0.321 4.303 1714TIP3 H157756 0.520 0.264 4.375 1714TIP3 H257757 0.565 0.256 4.233 1715TIP3 OH257758 0.865 0.618 4.035 1715TIP3 H157759 0.823 0.552 4.092 1715TIP3 H257760 0.909 0.672 4.104 1715TIP3 OH257761 -0.183 0.746 4.252 1715TIP3 H157762 -0.216 0.670 4.204 1715TIP3 H257763 -0.087 0.736 4.239 1715TIP3 OH257764 -0.493 0.121 3.784 1715TIP3 H157765 -0.541 0.206 3.781 1715TIP3 H257766 -0.557 0.061 3.745 1715TIP3 OH257767 -0.386 0.363 3.999 1715TIP3 H157768 -0.386 0.270 4.026 1715TIP3 H257769 -0.331 0.360 3.919 1715TIP3 OH257770 0.562 1.160 4.114 1715TIP3 H157771 0.624 1.092 4.081 1715TIP3 H257772 0.537 1.125 4.200 1715TIP3 OH257773 0.303 0.545 4.269 1715TIP3 H157774 0.367 0.520 4.202 1715TIP3 H257775 0.366 0.589 4.331 1715TIP3 OH257776 0.640 0.026 4.326 1715TIP3 H157777 0.692 -0.054 4.341 1715TIP3 H257778 0.658 0.044 4.232 1715TIP3 OH257779 -0.040 -0.168 4.044 1715TIP3 H157780 -0.015 -0.085 3.999 1715TIP3 H257781 -0.068 -0.221 3.966 1715TIP3 OH257782 0.754 -0.145 3.867 1715TIP3 H157783 0.807 -0.185 3.940 1715TIP3 H257784 0.825 -0.105 3.815 1715TIP3 OH257785 -0.333 0.097 4.099 1715TIP3 H157786 -0.299 0.026 4.154 1715TIP3 H257787 -0.334 0.054 4.011 1716TIP3 OH257788 0.592 0.711 3.798 1716TIP3 H157789 0.580 0.683 3.707 1716TIP3 H257790 0.546 0.797 3.802 1716TIP3 OH257791 0.926 -0.205 4.068 1716TIP3 H157792 0.926 -0.296 4.106 1716TIP3 H257793 0.982 -0.161 4.134 1716TIP3 OH257794 -0.113 -0.082 4.298 1716TIP3 H157795 -0.138 0.009 4.280 1716TIP3 H257796 -0.113 -0.124 4.209 1716TIP3 OH257797 -0.427 0.659 3.627 1716TIP3 H157798 -0.442 0.708 3.544 1716TIP3 H257799 -0.408 0.730 3.692 1716TIP3 OH257800 0.945 0.746 4.264 1716TIP3 H157801 0.893 0.721 4.343 1716TIP3 H257802 1.020 0.791 4.305 1716TIP3 OH257803 0.260 -0.530 4.176 1716TIP3 H157804 0.260 -0.627 4.182 1716TIP3 H257805 0.177 -0.507 4.223 1716TIP3 OH257806 0.751 1.001 3.961 1716TIP3 H157807 0.797 0.920 3.931 1716TIP3 H257808 0.820 1.068 3.945 1716TIP3 OH257809 0.895 0.787 3.822 1716TIP3 H157810 0.848 0.739 3.752 1716TIP3 H257811 0.892 0.721 3.894 1716TIP3 OH257812 0.460 0.353 3.632 1716TIP3 H157813 0.404 0.413 3.580 1716TIP3 H257814 0.544 0.358 3.583 1716TIP3 OH257815 0.503 0.174 3.347 1716TIP3 H157816 0.572 0.207 3.408 1716TIP3 H257817 0.556 0.119 3.288 1717TIP3 OH257818 0.859 0.348 3.733 1717TIP3 H157819 0.786 0.382 3.790 1717TIP3 H257820 0.906 0.289 3.795 1717TIP3 OH257821 0.080 0.722 4.163 1717TIP3 H157822 0.111 0.723 4.071 1717TIP3 H257823 0.157 0.759 4.211 1717TIP3 OH257824 0.720 0.306 3.497 1717TIP3 H157825 0.777 0.326 3.574 1717TIP3 H257826 0.770 0.353 3.425 1717TIP3 OH257827 0.458 0.961 3.855 1717TIP3 H157828 0.518 0.991 3.924 1717TIP3 H257829 0.420 1.043 3.822 1717TIP3 OH257830 1.066 -0.524 3.443 1717TIP3 H157831 0.979 -0.515 3.486 1717TIP3 H257832 1.102 -0.434 3.449 1717TIP3 OH257833 -0.121 0.328 3.714 1717TIP3 H157834 -0.132 0.398 3.648 1717TIP3 H257835 -0.166 0.254 3.673 1717TIP3 OH257836 1.204 0.889 3.298 1717TIP3 H157837 1.220 0.982 3.322 1717TIP3 H257838 1.291 0.848 3.317 1717TIP3 OH257839 -0.501 0.857 4.239 1717TIP3 H157840 -0.406 0.858 4.254 1717TIP3 H257841 -0.532 0.940 4.280 1717TIP3 OH257842 0.424 1.231 3.699 1717TIP3 H157843 0.424 1.242 3.602 1717TIP3 H257844 0.425 1.323 3.730 1717TIP3 OH257845 -0.198 1.138 3.858 1717TIP3 H157846 -0.182 1.103 3.948 1717TIP3 H257847 -0.286 1.103 3.840 1718TIP3 OH257848 0.755 1.177 3.419 1718TIP3 H157849 0.811 1.111 3.373 1718TIP3 H257850 0.748 1.137 3.508 1718TIP3 OH257851 0.692 1.117 3.697 1718TIP3 H157852 0.597 1.134 3.712 1718TIP3 H257853 0.709 1.046 3.761 1718TIP3 OH257854 0.018 -0.438 4.292 1718TIP3 H157855 -0.065 -0.451 4.242 1718TIP3 H257856 0.019 -0.343 4.308 1718TIP3 OH257857 0.877 0.409 3.296 1718TIP3 H157858 0.857 0.392 3.201 1718TIP3 H257859 0.971 0.433 3.290 1718TIP3 OH257860 0.439 -0.212 3.345 1718TIP3 H157861 0.393 -0.229 3.428 1718TIP3 H257862 0.401 -0.282 3.288 1718TIP3 OH257863 0.015 0.077 3.905 1718TIP3 H157864 -0.077 0.077 3.877 1718TIP3 H257865 0.060 0.062 3.820 1718TIP3 OH257866 0.565 0.125 3.766 1718TIP3 H157867 0.521 0.201 3.722 1718TIP3 H257868 0.635 0.104 3.701 1718TIP3 OH257869 0.642 0.067 4.041 1718TIP3 H157870 0.616 0.112 3.957 1718TIP3 H257871 0.665 -0.021 4.003 1718TIP3 OH257872 0.083 -0.161 3.238 1718TIP3 H157873 0.047 -0.204 3.318 1718TIP3 H257874 0.006 -0.157 3.180 1718TIP3 OH257875 -0.561 -0.169 3.941 1718TIP3 H157876 -0.510 -0.185 4.022 1718TIP3 H257877 -0.515 -0.221 3.874 1719TIP3 OH257878 -0.413 -0.139 3.514 1719TIP3 H157879 -0.357 -0.091 3.449 1719TIP3 H257880 -0.482 -0.073 3.531 1719TIP3 OH257881 0.275 -0.169 3.987 1719TIP3 H157882 0.183 -0.186 4.011 1719TIP3 H257883 0.324 -0.207 4.062 1719TIP3 OH257884 -0.257 -0.046 3.854 1719TIP3 H157885 -0.340 -0.024 3.808 1719TIP3 H257886 -0.224 -0.124 3.805 1719TIP3 OH257887 0.098 -0.012 3.630 1719TIP3 H157888 0.196 -0.016 3.631 1719TIP3 H257889 0.078 0.037 3.548 1719TIP3 OH257890 0.715 -0.303 4.282 1719TIP3 H157891 0.673 -0.281 4.366 1719TIP3 H257892 0.641 -0.303 4.219 1719TIP3 OH257893 -0.053 0.105 3.401 1719TIP3 H157894 -0.112 0.074 3.331 1719TIP3 H257895 0.028 0.125 3.350 1719TIP3 OH257896 0.352 0.085 4.192 1719TIP3 H157897 0.406 0.060 4.116 1719TIP3 H257898 0.368 0.010 4.252 1719TIP3 OH257899 -0.090 -0.282 3.789 1719TIP3 H157900 -0.140 -0.363 3.800 1719TIP3 H257901 -0.009 -0.313 3.746 1719TIP3 OH257902 0.281 0.571 3.584 1719TIP3 H157903 0.213 0.513 3.543 1719TIP3 H257904 0.278 0.545 3.677 1719TIP3 OH257905 0.709 -0.157 3.362 1719TIP3 H157906 0.611 -0.156 3.356 1719TIP3 H257907 0.729 -0.082 3.421 1720TIP3 OH257908 0.776 0.029 3.566 1720TIP3 H157909 0.864 0.011 3.605 1720TIP3 H257910 0.790 0.115 3.524 1720TIP3 OH257911 0.535 0.698 3.475 1720TIP3 H157912 0.509 0.786 3.510 1720TIP3 H257913 0.458 0.645 3.500 1720TIP3 OH257914 1.235 0.025 3.539 1720TIP3 H157915 1.180 0.007 3.461 1720TIP3 H257916 1.249 0.122 3.526 1720TIP3 OH257917 1.054 0.887 3.547 1720TIP3 H157918 1.036 0.810 3.603 1720TIP3 H257919 1.112 0.851 3.478 1720TIP3 OH257920 0.779 0.451 4.236 1720TIP3 H157921 0.699 0.413 4.278 1720TIP3 H257922 0.820 0.372 4.196 1720TIP3 OH257923 0.043 0.830 3.886 1720TIP3 H157924 0.090 0.914 3.871 1720TIP3 H257925 -0.046 0.854 3.861 1720TIP3 OH257926 -0.356 0.310 3.350 1720TIP3 H157927 -0.296 0.374 3.392 1720TIP3 H257928 -0.442 0.339 3.384 1720TIP3 OH257929 0.193 0.575 3.905 1720TIP3 H157930 0.197 0.666 3.872 1720TIP3 H257931 0.110 0.544 3.869 1720TIP3 OH257932 0.089 1.118 3.816 1720TIP3 H157933 -0.006 1.136 3.817 1720TIP3 H257934 0.125 1.206 3.839 1720TIP3 OH257935 0.802 0.730 3.336 1720TIP3 H157936 0.845 0.685 3.411 1720TIP3 H257937 0.710 0.715 3.362 1721TIP3 OH257938 1.276 1.156 3.390 1721TIP3 H157939 1.346 1.220 3.369 1721TIP3 H257940 1.199 1.216 3.389 1721TIP3 OH257941 0.899 0.593 3.578 1721TIP3 H157942 0.878 0.515 3.631 1721TIP3 H257943 0.997 0.591 3.581 1721TIP3 OH257944 0.225 0.836 3.193 1721TIP3 H157945 0.257 0.758 3.143 1721TIP3 H257946 0.185 0.794 3.270 1721TIP3 OH257947 0.107 0.788 3.471 1721TIP3 H157948 0.167 0.736 3.527 1721TIP3 H257949 0.128 0.880 3.497 1721TIP3 OH257950 -0.203 0.529 3.507 1721TIP3 H157951 -0.277 0.568 3.557 1721TIP3 H257952 -0.159 0.609 3.474 1721TIP3 OH257953 0.622 -0.276 3.632 1721TIP3 H157954 0.646 -0.226 3.553 1721TIP3 H257955 0.671 -0.229 3.702 1721TIP3 OH257956 0.405 0.948 3.530 1721TIP3 H157957 0.324 1.001 3.543 1721TIP3 H257958 0.444 0.993 3.453 1721TIP3 OH257959 0.362 -0.077 3.725 1721TIP3 H157960 0.442 -0.023 3.739 1721TIP3 H257961 0.336 -0.098 3.816 1721TIP3 OH257962 0.420 -0.377 3.816 1721TIP3 H157963 0.413 -0.318 3.892 1721TIP3 H257964 0.499 -0.341 3.772 1721TIP3 OH257965 0.131 1.063 3.525 1721TIP3 H157966 0.120 1.141 3.467 1721TIP3 H257967 0.116 1.100 3.614 1722TIP3 OH257968 -0.003 -0.277 3.477 1722TIP3 H157969 -0.000 -0.200 3.536 1722TIP3 H257970 0.079 -0.324 3.502 1722TIP3 OH257971 0.870 0.202 4.143 1722TIP3 H157972 0.798 0.149 4.104 1722TIP3 H257973 0.931 0.131 4.174 1722TIP3 OH257974 -0.164 0.807 3.382 1722TIP3 H157975 -0.092 0.860 3.420 1722TIP3 H257976 -0.114 0.760 3.313 1722TIP3 OH257977 -0.349 0.030 3.295 1722TIP3 H157978 -0.335 0.124 3.315 1722TIP3 H257979 -0.435 0.031 3.253 1722TIP3 OH257980 1.163 1.413 4.376 1722TIP3 H157981 1.138 1.483 4.314 1722TIP3 H257982 1.120 1.338 4.329 1722TIP3 OH257983 -0.260 -0.469 4.172 1722TIP3 H157984 -0.273 -0.469 4.075 1722TIP3 H257985 -0.293 -0.557 4.198 1722TIP3 OH257986 -0.368 0.878 3.796 1722TIP3 H157987 -0.442 0.933 3.825 1722TIP3 H257988 -0.327 0.934 3.729 1722TIP3 OH257989 0.449 1.002 3.252 1722TIP3 H157990 0.374 0.943 3.231 1722TIP3 H257991 0.518 0.962 3.197 1722TIP3 OH257992 0.912 0.996 3.256 1722TIP3 H157993 0.927 0.915 3.306 1722TIP3 H257994 0.990 0.999 3.198 1722TIP3 OH257995 -0.010 0.578 3.228 1722TIP3 H157996 0.008 0.517 3.301 1722TIP3 H257997 0.076 0.576 3.181 1723TIP3 OH257998 0.511 0.709 3.188 1723TIP3 H157999 0.512 0.708 3.285 1723TIP3 H258000 0.510 0.613 3.169 1723TIP3 OH258001 0.102 0.384 3.469 1723TIP3 H158002 0.043 0.328 3.520 1723TIP3 H258003 0.132 0.322 3.400 1723TIP3 OH258004 0.195 0.192 3.289 1723TIP3 H158005 0.191 0.195 3.191 1723TIP3 H258006 0.291 0.184 3.304 1723TIP3 OH258007 1.146 0.439 3.220 1723TIP3 H158008 1.137 0.397 3.133 1723TIP3 H258009 1.136 0.534 3.195 1723TIP3 OH258010 0.174 1.336 3.363 1723TIP3 H158011 0.268 1.331 3.386 1723TIP3 H258012 0.182 1.379 3.275 1723TIP3 OH258013 -0.438 0.750 3.351 1723TIP3 H158014 -0.343 0.771 3.364 1723TIP3 H258015 -0.433 0.673 3.291 1723TIP3 OH258016 -0.579 1.311 3.867 1723TIP3 H158017 -0.626 1.266 3.795 1723TIP3 H258018 -0.557 1.237 3.927 1723TIP3 OH258019 -0.491 1.074 4.016 1723TIP3 H158020 -0.525 0.990 4.050 1723TIP3 H258021 -0.458 1.114 4.099 1723TIP3 OH258022 1.262 1.170 4.272 1723TIP3 H158023 1.252 1.172 4.368 1723TIP3 H258024 1.351 1.207 4.263 1723TIP3 OH258025 1.184 0.578 3.614 1723TIP3 H158026 1.276 0.609 3.629 1723TIP3 H258027 1.176 0.513 3.686 1724TIP3 OH258028 1.234 0.373 3.812 1724TIP3 H158029 1.166 0.317 3.854 1724TIP3 H258030 1.302 0.381 3.882 1724TIP3 OH258031 1.209 0.602 4.329 1724TIP3 H158032 1.271 0.550 4.277 1724TIP3 H258033 1.218 0.690 4.291 1724TIP3 OH258034 1.256 0.316 3.469 1724TIP3 H158035 1.206 0.346 3.391 1724TIP3 H258036 1.245 0.391 3.529 1724TIP3 OH258037 1.082 0.074 3.295 1724TIP3 H158038 1.110 0.132 3.223 1724TIP3 H258039 1.060 -0.009 3.248 1724TIP3 OH258040 1.025 0.181 3.896 1724TIP3 H158041 1.020 0.085 3.882 1724TIP3 H258042 0.990 0.191 3.986 1724TIP3 OH258043 -0.489 0.384 4.262 1724TIP3 H158044 -0.450 0.396 4.174 1724TIP3 H258045 -0.413 0.368 4.320 1724TIP3 OH258046 1.031 -0.192 3.216 1724TIP3 H158047 1.090 -0.242 3.275 1724TIP3 H258048 0.951 -0.247 3.210 1724TIP3 OH258049 1.010 -0.065 3.710 1724TIP3 H158050 1.036 -0.159 3.716 1724TIP3 H258051 1.091 -0.028 3.670 1724TIP3 OH258052 1.036 0.011 4.222 1724TIP3 H158053 1.131 -0.002 4.235 1724TIP3 H258054 0.999 -0.027 4.304 1724TIP3 OH258055 1.059 -0.343 3.707 1724TIP3 H158056 1.072 -0.376 3.797 1724TIP3 H258057 0.979 -0.393 3.680 1725TIP3 OH258058 -0.415 -0.212 4.192 1725TIP3 H158059 -0.389 -0.305 4.203 1725TIP3 H258060 -0.358 -0.171 4.259 1725TIP3 OH258061 -0.576 0.072 4.303 1725TIP3 H158062 -0.535 0.035 4.223 1725TIP3 H258063 -0.549 0.165 4.298 1725TIP3 OH258064 1.255 -0.295 3.373 1725TIP3 H158065 1.288 -0.376 3.329 1725TIP3 H258066 1.336 -0.244 3.385 1725TIP3 OH258067 -0.522 -0.328 3.696 1725TIP3 H158068 -0.616 -0.318 3.672 1725TIP3 H258069 -0.478 -0.268 3.633 1725TIP3 OH258070 0.940 1.207 3.899 1725TIP3 H158071 0.993 1.180 3.821 1725TIP3 H258072 1.008 1.233 3.962 1725TIP3 OH258073 -0.342 1.132 4.252 1725TIP3 H158074 -0.330 1.097 4.340 1725TIP3 H258075 -0.257 1.110 4.208 1725TIP3 OH258076 -0.132 1.014 4.121 1725TIP3 H158077 -0.138 0.920 4.143 1725TIP3 H258078 -0.040 1.037 4.147 1725TIP3 OH258079 0.129 1.066 4.214 1725TIP3 H158080 0.177 0.987 4.187 1725TIP3 H258081 0.145 1.068 4.309 1725TIP3 OH258082 0.469 -0.333 4.123 1725TIP3 H158083 0.412 -0.407 4.153 1725TIP3 H258084 0.540 -0.381 4.076 1725TIP3 OH258085 0.964 -0.457 4.147 1725TIP3 H158086 1.049 -0.500 4.131 1725TIP3 H258087 0.899 -0.524 4.126 1726TIP3 OH258088 1.183 -0.430 3.954 1726TIP3 H158089 1.258 -0.468 3.906 1726TIP3 H258090 1.213 -0.338 3.971 1726TIP3 OH258091 -0.287 -0.486 3.889 1726TIP3 H158092 -0.368 -0.495 3.836 1726TIP3 H258093 -0.243 -0.569 3.870 1726TIP3 OH258094 -0.397 -0.525 3.479 1726TIP3 H158095 -0.348 -0.456 3.430 1726TIP3 H258096 -0.440 -0.472 3.549 1726TIP3 OH258097 0.157 -0.493 3.894 1726TIP3 H158098 0.245 -0.460 3.869 1726TIP3 H258099 0.169 -0.506 3.989 1726TIP3 OH258100 0.687 -0.478 3.997 1726TIP3 H158101 0.743 -0.501 3.922 1726TIP3 H258102 0.674 -0.563 4.041 1726TIP3 OH258103 0.826 -0.483 3.618 1726TIP3 H158104 0.744 -0.434 3.601 1726TIP3 H258105 0.791 -0.574 3.629 1726TIP3 OH258106 -0.398 1.075 3.589 1726TIP3 H158107 -0.462 1.064 3.517 1726TIP3 H258108 -0.395 1.172 3.595 1726TIP3 OH258109 -0.237 -0.340 3.321 1726TIP3 H158110 -0.176 -0.394 3.267 1726TIP3 H258111 -0.177 -0.306 3.390 1726TIP3 OH258112 0.267 -0.319 3.586 1726TIP3 H158113 0.310 -0.377 3.652 1726TIP3 H258114 0.294 -0.233 3.621 1726TIP3 OH258115 0.475 1.254 3.410 1726TIP3 H158116 0.572 1.258 3.401 1726TIP3 H258117 0.454 1.196 3.335 1727TIP3 OH258118 1.126 1.161 3.664 1727TIP3 H158119 1.103 1.076 3.620 1727TIP3 H258120 1.125 1.221 3.588 1727TIP3 OH258121 -0.252 1.162 3.274 1727TIP3 H158122 -0.264 1.195 3.364 1727TIP3 H258123 -0.167 1.114 3.281 1727TIP3 OH258124 2.491 0.404 3.918 1727TIP3 H158125 2.494 0.501 3.929 1727TIP3 H258126 2.414 0.393 3.862 1727TIP3 OH258127 2.393 0.340 4.246 1727TIP3 H158128 2.380 0.266 4.307 1727TIP3 H258129 2.371 0.300 4.161 1727TIP3 OH258130 2.747 0.617 4.043 1727TIP3 H158131 2.707 0.552 4.103 1727TIP3 H258132 2.780 0.680 4.112 1727TIP3 OH258133 1.695 0.760 4.250 1727TIP3 H158134 1.674 0.670 4.220 1727TIP3 H258135 1.793 0.750 4.254 1727TIP3 OH258136 1.393 0.111 3.778 1727TIP3 H158137 1.355 0.200 3.787 1727TIP3 H258138 1.321 0.062 3.737 1727TIP3 OH258139 1.469 0.348 3.975 1727TIP3 H158140 1.493 0.269 4.028 1727TIP3 H258141 1.553 0.368 3.932 1727TIP3 OH258142 2.423 1.117 4.115 1727TIP3 H158143 2.515 1.116 4.084 1727TIP3 H258144 2.434 1.128 4.210 1727TIP3 OH258145 2.192 0.570 4.284 1727TIP3 H158146 2.232 0.507 4.222 1727TIP3 H258147 2.273 0.608 4.322 1728TIP3 OH258148 2.539 0.044 4.322 1728TIP3 H158149 2.582 -0.041 4.339 1728TIP3 H258150 2.545 0.052 4.225 1728TIP3 OH258151 1.849 -0.168 4.043 1728TIP3 H158152 1.868 -0.083 3.998 1728TIP3 H258153 1.818 -0.220 3.967 1728TIP3 OH258154 2.639 -0.147 3.866 1728TIP3 H158155 2.692 -0.187 3.939 1728TIP3 H258156 2.710 -0.104 3.816 1728TIP3 OH258157 1.543 0.095 4.102 1728TIP3 H158158 1.597 0.034 4.153 1728TIP3 H258159 1.549 0.054 4.013 1728TIP3 OH258160 2.061 0.239 4.066 1728TIP3 H158161 2.130 0.174 4.085 1728TIP3 H258162 2.010 0.194 3.995 1728TIP3 OH258163 2.498 0.702 3.778 1728TIP3 H158164 2.429 0.655 3.729 1728TIP3 H258165 2.447 0.779 3.810 1728TIP3 OH258166 2.814 -0.207 4.067 1728TIP3 H158167 2.812 -0.297 4.107 1728TIP3 H258168 2.866 -0.161 4.136 1728TIP3 OH258169 1.772 -0.077 4.297 1728TIP3 H158170 1.765 0.016 4.275 1728TIP3 H258171 1.774 -0.120 4.209 1728TIP3 OH258172 1.459 0.660 3.628 1728TIP3 H158173 1.443 0.710 3.546 1728TIP3 H258174 1.478 0.729 3.694 1728TIP3 OH258175 2.821 0.757 4.257 1728TIP3 H158176 2.749 0.750 4.324 1728TIP3 H258177 2.857 0.843 4.278 1729TIP3 OH258178 2.147 -0.530 4.178 1729TIP3 H158179 2.143 -0.627 4.182 1729TIP3 H258180 2.063 -0.505 4.223 1729TIP3 OH258181 2.653 0.992 3.978 1729TIP3 H158182 2.691 0.918 3.927 1729TIP3 H258183 2.695 1.070 3.939 1729TIP3 OH258184 2.791 0.774 3.813 1729TIP3 H158185 2.716 0.739 3.762 1729TIP3 H258186 2.782 0.721 3.894 1729TIP3 OH258187 2.349 0.351 3.626 1729TIP3 H158188 2.279 0.420 3.621 1729TIP3 H258189 2.411 0.380 3.558 1729TIP3 OH258190 2.390 0.177 3.342 1729TIP3 H158191 2.454 0.206 3.409 1729TIP3 H258192 2.445 0.117 3.289 1729TIP3 OH258193 2.712 0.357 3.750 1729TIP3 H158194 2.643 0.380 3.816 1729TIP3 H258195 2.769 0.299 3.802 1729TIP3 OH258196 1.855 0.432 3.947 1729TIP3 H158197 1.848 0.422 3.851 1729TIP3 H258198 1.948 0.412 3.961 1729TIP3 OH258199 1.969 0.735 4.169 1729TIP3 H158200 1.973 0.735 4.072 1729TIP3 H258201 2.063 0.739 4.194 1729TIP3 OH258202 1.890 0.315 4.274 1729TIP3 H158203 1.952 0.306 4.199 1729TIP3 H258204 1.947 0.354 4.342 1729TIP3 OH258205 2.612 0.297 3.493 1729TIP3 H158206 2.649 0.330 3.577 1729TIP3 H258207 2.659 0.355 3.428 1730TIP3 OH258208 2.371 0.976 3.856 1730TIP3 H158209 2.394 1.005 3.946 1730TIP3 H258210 2.301 1.038 3.832 1730TIP3 OH258211 2.950 -0.523 3.440 1730TIP3 H158212 2.864 -0.516 3.485 1730TIP3 H258213 2.986 -0.433 3.452 1730TIP3 OH258214 1.767 0.305 3.681 1730TIP3 H158215 1.755 0.382 3.623 1730TIP3 H258216 1.699 0.245 3.649 1730TIP3 OH258217 3.092 0.891 3.291 1730TIP3 H158218 3.105 0.982 3.321 1730TIP3 H258219 3.176 0.849 3.317 1730TIP3 OH258220 1.382 0.850 4.247 1730TIP3 H158221 1.479 0.846 4.243 1730TIP3 H258222 1.367 0.940 4.279 1730TIP3 OH258223 2.282 1.269 3.701 1730TIP3 H158224 2.313 1.255 3.611 1730TIP3 H258225 2.342 1.336 3.738 1730TIP3 OH258226 1.684 1.151 3.865 1730TIP3 H158227 1.706 1.100 3.945 1730TIP3 H258228 1.605 1.105 3.835 1730TIP3 OH258229 2.635 1.174 3.411 1730TIP3 H158230 2.692 1.105 3.373 1730TIP3 H258231 2.629 1.145 3.505 1730TIP3 OH258232 2.579 1.120 3.697 1730TIP3 H158233 2.487 1.140 3.718 1730TIP3 H258234 2.588 1.042 3.753 1730TIP3 OH258235 1.903 -0.440 4.292 1730TIP3 H158236 1.820 -0.450 4.242 1730TIP3 H258237 1.909 -0.344 4.306 1731TIP3 OH258238 2.762 0.411 3.293 1731TIP3 H158239 2.745 0.389 3.200 1731TIP3 H258240 2.856 0.433 3.292 1731TIP3 OH258241 2.329 -0.214 3.345 1731TIP3 H158242 2.278 -0.224 3.427 1731TIP3 H258243 2.286 -0.282 3.290 1731TIP3 OH258244 1.893 0.058 3.886 1731TIP3 H158245 1.797 0.060 3.868 1731TIP3 H258246 1.927 0.045 3.796 1731TIP3 OH258247 2.446 0.130 3.760 1731TIP3 H158248 2.403 0.210 3.721 1731TIP3 H258249 2.513 0.111 3.693 1731TIP3 OH258250 2.529 0.063 4.040 1731TIP3 H158251 2.500 0.118 3.964 1731TIP3 H258252 2.551 -0.020 3.992 1731TIP3 OH258253 1.970 -0.171 3.233 1731TIP3 H158254 1.936 -0.202 3.319 1731TIP3 H258255 1.889 -0.156 3.183 1731TIP3 OH258256 1.316 -0.180 3.944 1731TIP3 H158257 1.374 -0.183 4.022 1731TIP3 H258258 1.369 -0.219 3.874 1731TIP3 OH258259 1.472 -0.139 3.512 1731TIP3 H158260 1.529 -0.090 3.449 1731TIP3 H258261 1.404 -0.072 3.532 1731TIP3 OH258262 2.159 -0.172 3.984 1731TIP3 H158263 2.066 -0.182 4.008 1731TIP3 H258264 2.205 -0.201 4.065 1731TIP3 OH258265 1.618 -0.056 3.857 1731TIP3 H158266 1.541 -0.025 3.807 1731TIP3 H258267 1.651 -0.131 3.804 1732TIP3 OH258268 1.988 -0.024 3.617 1732TIP3 H158269 2.084 -0.010 3.626 1732TIP3 H258270 1.960 0.041 3.551 1732TIP3 OH258271 2.601 -0.309 4.283 1732TIP3 H158272 2.563 -0.276 4.365 1732TIP3 H258273 2.528 -0.305 4.220 1732TIP3 OH258274 1.831 0.099 3.399 1732TIP3 H158275 1.774 0.076 3.325 1732TIP3 H258276 1.911 0.129 3.353 1732TIP3 OH258277 2.257 0.063 4.192 1732TIP3 H158278 2.327 0.031 4.134 1732TIP3 H258279 2.261 -0.001 4.264 1732TIP3 OH258280 1.799 -0.280 3.786 1732TIP3 H158281 1.744 -0.360 3.799 1732TIP3 H258282 1.879 -0.317 3.746 1732TIP3 OH258283 2.596 -0.148 3.353 1732TIP3 H158284 2.498 -0.157 3.356 1732TIP3 H258285 2.614 -0.082 3.424 1732TIP3 OH258286 2.662 0.026 3.561 1732TIP3 H158287 2.749 0.012 3.605 1732TIP3 H258288 2.671 0.117 3.527 1732TIP3 OH258289 1.685 0.474 4.169 1732TIP3 H158290 1.741 0.479 4.089 1732TIP3 H258291 1.734 0.404 4.217 1732TIP3 OH258292 2.389 0.687 3.470 1732TIP3 H158293 2.384 0.769 3.523 1732TIP3 H258294 2.319 0.638 3.517 1732TIP3 OH258295 3.124 0.024 3.537 1732TIP3 H158296 3.065 0.005 3.462 1732TIP3 H258297 3.134 0.120 3.526 1733TIP3 OH258298 2.942 0.889 3.546 1733TIP3 H158299 2.912 0.818 3.605 1733TIP3 H258300 2.998 0.842 3.482 1733TIP3 OH258301 2.656 0.435 4.251 1733TIP3 H158302 2.564 0.406 4.265 1733TIP3 H258303 2.693 0.360 4.201 1733TIP3 OH258304 1.910 0.846 3.918 1733TIP3 H158305 1.988 0.876 3.869 1733TIP3 H258306 1.843 0.842 3.849 1733TIP3 OH258307 1.529 0.310 3.349 1733TIP3 H158308 1.589 0.375 3.390 1733TIP3 H258309 1.443 0.338 3.385 1733TIP3 OH258310 1.979 1.124 3.804 1733TIP3 H158311 1.885 1.132 3.824 1733TIP3 H258312 2.015 1.209 3.833 1733TIP3 OH258313 2.682 0.730 3.340 1733TIP3 H158314 2.722 0.683 3.416 1733TIP3 H258315 2.589 0.713 3.360 1733TIP3 OH258316 3.165 1.154 3.386 1733TIP3 H158317 3.231 1.222 3.367 1733TIP3 H258318 3.087 1.212 3.396 1733TIP3 OH258319 2.785 0.586 3.565 1733TIP3 H158320 2.752 0.523 3.632 1733TIP3 H258321 2.879 0.592 3.589 1733TIP3 OH258322 2.115 0.833 3.186 1733TIP3 H158323 2.143 0.751 3.141 1733TIP3 H258324 2.076 0.796 3.268 1733TIP3 OH258325 2.019 0.775 3.460 1733TIP3 H158326 2.053 0.718 3.532 1733TIP3 H258327 2.022 0.863 3.502 1734TIP3 OH258328 1.676 0.529 3.499 1734TIP3 H158329 1.608 0.569 3.558 1734TIP3 H258330 1.732 0.605 3.480 1734TIP3 OH258331 2.515 -0.281 3.632 1734TIP3 H158332 2.527 -0.222 3.556 1734TIP3 H258333 2.554 -0.230 3.705 1734TIP3 OH258334 2.304 0.970 3.534 1734TIP3 H158335 2.211 0.994 3.546 1734TIP3 H258336 2.322 0.998 3.444 1734TIP3 OH258337 2.256 -0.079 3.727 1734TIP3 H158338 2.327 -0.014 3.744 1734TIP3 H258339 2.223 -0.097 3.817 1734TIP3 OH258340 2.306 -0.378 3.818 1734TIP3 H158341 2.294 -0.315 3.891 1734TIP3 H258342 2.383 -0.340 3.773 1734TIP3 OH258343 2.005 1.053 3.527 1734TIP3 H158344 2.003 1.137 3.477 1734TIP3 H258345 2.000 1.084 3.619 1734TIP3 OH258346 1.884 -0.276 3.474 1734TIP3 H158347 1.886 -0.199 3.534 1734TIP3 H258348 1.965 -0.323 3.502 1734TIP3 OH258349 2.760 0.202 4.135 1734TIP3 H158350 2.681 0.153 4.107 1734TIP3 H258351 2.816 0.130 4.172 1734TIP3 OH258352 1.729 0.813 3.383 1734TIP3 H158353 1.802 0.864 3.422 1734TIP3 H258354 1.779 0.758 3.321 1734TIP3 OH258355 1.539 0.030 3.291 1734TIP3 H158356 1.552 0.123 3.316 1734TIP3 H258357 1.451 0.031 3.253 1735TIP3 OH258358 2.897 1.172 4.329 1735TIP3 H158359 2.844 1.222 4.263 1735TIP3 H258360 2.977 1.152 4.279 1735TIP3 OH258361 1.627 -0.470 4.172 1735TIP3 H158362 1.612 -0.466 4.075 1735TIP3 H258363 1.592 -0.557 4.195 1735TIP3 OH258364 1.516 0.879 3.799 1735TIP3 H158365 1.441 0.936 3.821 1735TIP3 H258366 1.560 0.931 3.730 1735TIP3 OH258367 2.333 1.004 3.241 1735TIP3 H158368 2.255 0.945 3.235 1735TIP3 H258369 2.402 0.943 3.213 1735TIP3 OH258370 2.798 0.992 3.249 1735TIP3 H158371 2.809 0.915 3.308 1735TIP3 H258372 2.882 0.994 3.202 1735TIP3 OH258373 1.877 0.575 3.229 1735TIP3 H158374 1.894 0.519 3.308 1735TIP3 H258375 1.965 0.573 3.189 1735TIP3 OH258376 2.405 0.713 3.192 1735TIP3 H158377 2.387 0.705 3.289 1735TIP3 H258378 2.394 0.619 3.167 1735TIP3 OH258379 1.972 0.394 3.434 1735TIP3 H158380 1.954 0.365 3.524 1735TIP3 H258381 2.017 0.317 3.396 1735TIP3 OH258382 2.082 0.182 3.288 1735TIP3 H158383 2.076 0.196 3.192 1735TIP3 H258384 2.178 0.184 3.303 1735TIP3 OH258385 3.034 0.441 3.220 1735TIP3 H158386 3.019 0.397 3.135 1735TIP3 H258387 3.019 0.535 3.197 1736TIP3 OH258388 2.056 1.312 3.395 1736TIP3 H158389 2.151 1.324 3.413 1736TIP3 H258390 2.048 1.357 3.310 1736TIP3 OH258391 1.449 0.752 3.348 1736TIP3 H158392 1.545 0.767 3.365 1736TIP3 H258393 1.451 0.672 3.293 1736TIP3 OH258394 1.344 1.272 3.826 1736TIP3 H158395 1.275 1.232 3.770 1736TIP3 H258396 1.359 1.202 3.893 1736TIP3 OH258397 1.391 1.070 4.017 1736TIP3 H158398 1.357 0.983 4.044 1736TIP3 H258399 1.418 1.104 4.105 1736TIP3 OH258400 3.161 1.208 4.269 1736TIP3 H158401 3.135 1.196 4.362 1736TIP3 H258402 3.257 1.212 4.278 1736TIP3 OH258403 3.076 0.576 3.611 1736TIP3 H158404 3.166 0.605 3.634 1736TIP3 H258405 3.058 0.515 3.684 1736TIP3 OH258406 3.126 0.366 3.815 1736TIP3 H158407 3.050 0.317 3.854 1736TIP3 H258408 3.183 0.383 3.892 1736TIP3 OH258409 3.094 0.606 4.336 1736TIP3 H158410 3.146 0.554 4.273 1736TIP3 H258411 3.076 0.688 4.288 1736TIP3 OH258412 3.147 0.320 3.467 1736TIP3 H158413 3.092 0.347 3.391 1736TIP3 H258414 3.128 0.392 3.529 1736TIP3 OH258415 2.968 0.075 3.294 1736TIP3 H158416 2.996 0.131 3.220 1736TIP3 H258417 2.945 -0.009 3.250 1737TIP3 OH258418 2.911 0.186 3.894 1737TIP3 H158419 2.904 0.091 3.878 1737TIP3 H258420 2.872 0.196 3.983 1737TIP3 OH258421 1.396 0.374 4.262 1737TIP3 H158422 1.431 0.399 4.175 1737TIP3 H258423 1.477 0.371 4.316 1737TIP3 OH258424 2.918 -0.192 3.213 1737TIP3 H158425 2.976 -0.241 3.275 1737TIP3 H258426 2.837 -0.245 3.212 1737TIP3 OH258427 2.897 -0.063 3.709 1737TIP3 H158428 2.919 -0.159 3.717 1737TIP3 H258429 2.980 -0.030 3.670 1737TIP3 OH258430 2.922 0.010 4.223 1737TIP3 H158431 3.016 -0.001 4.240 1737TIP3 H258432 2.882 -0.029 4.304 1737TIP3 OH258433 2.945 -0.343 3.706 1737TIP3 H158434 2.959 -0.377 3.796 1737TIP3 H258435 2.865 -0.393 3.679 1737TIP3 OH258436 1.467 -0.213 4.194 1737TIP3 H158437 1.498 -0.305 4.204 1737TIP3 H258438 1.528 -0.168 4.254 1737TIP3 OH258439 1.311 0.074 4.303 1737TIP3 H158440 1.353 0.037 4.224 1737TIP3 H258441 1.339 0.167 4.297 1737TIP3 OH258442 3.142 -0.292 3.370 1737TIP3 H158443 3.172 -0.378 3.335 1737TIP3 H258444 3.226 -0.246 3.385 1737TIP3 OH258445 1.367 -0.326 3.691 1737TIP3 H158446 1.271 -0.318 3.672 1737TIP3 H258447 1.407 -0.263 3.628 1738TIP3 OH258448 2.832 1.217 3.891 1738TIP3 H158449 2.883 1.173 3.821 1738TIP3 H258450 2.897 1.233 3.960 1738TIP3 OH258451 1.533 1.110 4.260 1738TIP3 H158452 1.567 1.108 4.351 1738TIP3 H258453 1.615 1.085 4.212 1738TIP3 OH258454 1.751 1.023 4.124 1738TIP3 H158455 1.746 0.926 4.132 1738TIP3 H258456 1.846 1.037 4.143 1738TIP3 OH258457 2.018 1.074 4.213 1738TIP3 H158458 2.058 0.996 4.174 1738TIP3 H258459 2.035 1.060 4.307 1738TIP3 OH258460 2.357 -0.332 4.126 1738TIP3 H158461 2.297 -0.405 4.153 1738TIP3 H258462 2.425 -0.381 4.076 1738TIP3 OH258463 2.851 -0.459 4.153 1738TIP3 H158464 2.935 -0.501 4.128 1738TIP3 H258465 2.783 -0.520 4.122 1738TIP3 OH258466 3.065 -0.427 3.953 1738TIP3 H158467 3.142 -0.471 3.912 1738TIP3 H258468 3.098 -0.338 3.971 1738TIP3 OH258469 1.594 -0.471 3.890 1738TIP3 H158470 1.509 -0.484 3.843 1738TIP3 H258471 1.638 -0.556 3.873 1738TIP3 OH258472 1.476 -0.521 3.477 1738TIP3 H158473 1.527 -0.455 3.426 1738TIP3 H258474 1.436 -0.466 3.547 1738TIP3 OH258475 2.046 -0.495 3.891 1738TIP3 H158476 2.133 -0.458 3.871 1738TIP3 H258477 2.050 -0.504 3.987 1739TIP3 OH258478 2.577 -0.478 3.999 1739TIP3 H158479 2.627 -0.502 3.920 1739TIP3 H258480 2.559 -0.564 4.040 1739TIP3 OH258481 2.713 -0.484 3.615 1739TIP3 H158482 2.632 -0.431 3.606 1739TIP3 H258483 2.676 -0.573 3.629 1739TIP3 OH258484 1.494 1.075 3.594 1739TIP3 H158485 1.430 1.063 3.521 1739TIP3 H258486 1.494 1.171 3.601 1739TIP3 OH258487 1.648 -0.339 3.321 1739TIP3 H158488 1.709 -0.394 3.270 1739TIP3 H258489 1.707 -0.305 3.391 1739TIP3 OH258490 2.157 -0.322 3.583 1739TIP3 H158491 2.195 -0.375 3.654 1739TIP3 H258492 2.174 -0.233 3.619 1739TIP3 OH258493 2.365 1.267 3.397 1739TIP3 H158494 2.462 1.259 3.402 1739TIP3 H258495 2.343 1.190 3.342 1739TIP3 OH258496 3.020 1.158 3.660 1739TIP3 H158497 2.989 1.076 3.618 1739TIP3 H258498 2.999 1.224 3.592 1739TIP3 OH258499 1.639 1.171 3.273 1739TIP3 H158500 1.615 1.197 3.363 1739TIP3 H258501 1.715 1.112 3.288 1739TIP3 OH258502 4.215 0.341 4.222 1739TIP3 H158503 4.265 0.302 4.297 1739TIP3 H258504 4.235 0.280 4.150 1739TIP3 OH258505 3.280 0.123 3.779 1739TIP3 H158506 3.228 0.205 3.783 1739TIP3 H258507 3.214 0.059 3.749 1740TIP3 OH258508 3.372 0.358 3.989 1740TIP3 H158509 3.378 0.269 4.029 1740TIP3 H258510 3.436 0.350 3.917 1740TIP3 OH258511 4.052 0.564 4.251 1740TIP3 H158512 4.103 0.489 4.214 1740TIP3 H258513 4.126 0.602 4.304 1740TIP3 OH258514 3.736 -0.168 4.042 1740TIP3 H158515 3.753 -0.085 3.994 1740TIP3 H258516 3.706 -0.226 3.969 1740TIP3 OH258517 3.438 0.101 4.097 1740TIP3 H158518 3.473 0.035 4.157 1740TIP3 H258519 3.434 0.051 4.014 1740TIP3 OH258520 3.938 0.239 4.057 1740TIP3 H158521 4.016 0.185 4.082 1740TIP3 H258522 3.895 0.178 3.994 1740TIP3 OH258523 3.666 -0.077 4.300 1740TIP3 H158524 3.642 0.014 4.279 1740TIP3 H258525 3.657 -0.123 4.215 1740TIP3 OH258526 3.353 0.660 3.627 1740TIP3 H158527 3.324 0.708 3.547 1740TIP3 H258528 3.364 0.731 3.693 1740TIP3 OH258529 4.043 -0.533 4.187 1740TIP3 H158530 4.027 -0.629 4.186 1740TIP3 H258531 3.957 -0.500 4.218 1740TIP3 OH258532 4.268 0.347 3.634 1740TIP3 H158533 4.200 0.412 3.610 1740TIP3 H258534 4.332 0.359 3.564 1740TIP3 OH258535 4.291 0.192 3.349 1740TIP3 H158536 4.365 0.183 3.410 1740TIP3 H258537 4.292 0.110 3.300 1741TIP3 OH258538 3.763 0.441 3.927 1741TIP3 H158539 3.720 0.396 3.851 1741TIP3 H258540 3.813 0.367 3.967 1741TIP3 OH258541 3.784 0.326 4.274 1741TIP3 H158542 3.849 0.300 4.206 1741TIP3 H258543 3.839 0.335 4.353 1741TIP3 OH258544 4.242 0.958 3.850 1741TIP3 H158545 4.299 1.005 3.914 1741TIP3 H258546 4.202 1.031 3.803 1741TIP3 OH258547 3.648 0.315 3.684 1741TIP3 H158548 3.625 0.384 3.620 1741TIP3 H258549 3.589 0.242 3.657 1741TIP3 OH258550 3.265 0.861 4.225 1741TIP3 H158551 3.355 0.850 4.256 1741TIP3 H258552 3.230 0.926 4.287 1741TIP3 OH258553 4.184 1.233 3.698 1741TIP3 H158554 4.205 1.237 3.604 1741TIP3 H258555 4.206 1.321 3.731 1741TIP3 OH258556 3.575 1.146 3.864 1741TIP3 H158557 3.584 1.099 3.949 1741TIP3 H258558 3.490 1.110 3.833 1741TIP3 OH258559 3.791 -0.437 4.292 1741TIP3 H158560 3.710 -0.457 4.243 1741TIP3 H258561 3.784 -0.342 4.308 1741TIP3 OH258562 4.228 -0.205 3.350 1741TIP3 H158563 4.173 -0.229 3.427 1741TIP3 H258564 4.202 -0.275 3.289 1741TIP3 OH258565 3.776 0.070 3.882 1741TIP3 H158566 3.681 0.055 3.868 1741TIP3 H258567 3.811 0.043 3.795 1742TIP3 OH258568 4.276 0.116 3.838 1742TIP3 H158569 4.273 0.207 3.805 1742TIP3 H258570 4.369 0.101 3.860 1742TIP3 OH258571 3.859 -0.155 3.237 1742TIP3 H158572 3.825 -0.198 3.318 1742TIP3 H258573 3.782 -0.158 3.178 1742TIP3 OH258574 3.214 -0.162 3.940 1742TIP3 H158575 3.260 -0.187 4.021 1742TIP3 H258576 3.250 -0.222 3.872 1742TIP3 OH258577 3.359 -0.138 3.511 1742TIP3 H158578 3.414 -0.088 3.447 1742TIP3 H258579 3.289 -0.074 3.532 1742TIP3 OH258580 4.048 -0.182 3.984 1742TIP3 H158581 3.954 -0.198 4.003 1742TIP3 H258582 4.087 -0.198 4.072 1742TIP3 OH258583 3.515 -0.050 3.848 1742TIP3 H158584 3.427 -0.032 3.811 1742TIP3 H258585 3.539 -0.135 3.806 1742TIP3 OH258586 3.873 -0.020 3.622 1742TIP3 H158587 3.970 -0.012 3.626 1742TIP3 H258588 3.847 0.039 3.550 1742TIP3 OH258589 3.721 0.110 3.398 1742TIP3 H158590 3.659 0.074 3.333 1742TIP3 H258591 3.803 0.115 3.346 1742TIP3 OH258592 4.128 0.059 4.153 1742TIP3 H158593 4.188 0.013 4.092 1742TIP3 H258594 4.152 0.018 4.238 1742TIP3 OH258595 3.676 -0.291 3.784 1742TIP3 H158596 3.625 -0.371 3.804 1742TIP3 H258597 3.760 -0.329 3.756 1743TIP3 OH258598 4.067 0.553 3.584 1743TIP3 H158599 3.994 0.499 3.545 1743TIP3 H258600 4.053 0.543 3.679 1743TIP3 OH258601 3.583 0.507 4.172 1743TIP3 H158602 3.610 0.483 4.082 1743TIP3 H258603 3.600 0.425 4.220 1743TIP3 OH258604 4.287 0.690 3.482 1743TIP3 H158605 4.260 0.779 3.512 1743TIP3 H258606 4.211 0.637 3.513 1743TIP3 OH258607 3.811 0.831 3.930 1743TIP3 H158608 3.860 0.909 3.895 1743TIP3 H258609 3.728 0.840 3.880 1743TIP3 OH258610 3.414 0.310 3.349 1743TIP3 H158611 3.471 0.377 3.391 1743TIP3 H258612 3.326 0.333 3.388 1743TIP3 OH258613 3.989 0.604 3.907 1743TIP3 H158614 3.970 0.685 3.857 1743TIP3 H258615 3.914 0.545 3.885 1743TIP3 OH258616 3.859 1.117 3.813 1743TIP3 H158617 3.764 1.136 3.820 1743TIP3 H258618 3.897 1.204 3.837 1743TIP3 OH258619 3.994 0.838 3.194 1743TIP3 H158620 4.029 0.762 3.144 1743TIP3 H258621 3.955 0.793 3.271 1743TIP3 OH258622 3.882 0.781 3.472 1743TIP3 H158623 3.941 0.730 3.530 1743TIP3 H258624 3.900 0.874 3.499 1743TIP3 OH258625 3.569 0.531 3.506 1743TIP3 H158626 3.494 0.568 3.557 1743TIP3 H258627 3.612 0.612 3.475 1744TIP3 OH258628 4.166 0.946 3.522 1744TIP3 H158629 4.088 1.000 3.543 1744TIP3 H258630 4.211 1.002 3.458 1744TIP3 OH258631 4.138 -0.085 3.727 1744TIP3 H158632 4.200 -0.018 3.763 1744TIP3 H258633 4.099 -0.114 3.812 1744TIP3 OH258634 4.199 -0.384 3.850 1744TIP3 H158635 4.164 -0.305 3.896 1744TIP3 H258636 4.270 -0.347 3.795 1744TIP3 OH258637 3.895 1.054 3.528 1744TIP3 H158638 3.891 1.135 3.472 1744TIP3 H258639 3.881 1.091 3.617 1744TIP3 OH258640 3.769 -0.272 3.468 1744TIP3 H158641 3.770 -0.205 3.538 1744TIP3 H258642 3.836 -0.336 3.498 1744TIP3 OH258643 3.611 0.811 3.381 1744TIP3 H158644 3.684 0.860 3.421 1744TIP3 H258645 3.660 0.760 3.314 1744TIP3 OH258646 3.428 0.033 3.288 1744TIP3 H158647 3.434 0.127 3.315 1744TIP3 H258648 3.336 0.027 3.258 1744TIP3 OH258649 3.503 -0.467 4.165 1744TIP3 H158650 3.503 -0.478 4.068 1744TIP3 H258651 3.482 -0.557 4.194 1744TIP3 OH258652 3.409 0.883 3.799 1744TIP3 H158653 3.330 0.930 3.829 1744TIP3 H258654 3.438 0.938 3.725 1744TIP3 OH258655 4.231 1.003 3.225 1744TIP3 H158656 4.148 0.951 3.226 1744TIP3 H258657 4.294 0.930 3.212 1745TIP3 OH258658 3.763 0.580 3.227 1745TIP3 H158659 3.777 0.519 3.301 1745TIP3 H258660 3.849 0.574 3.181 1745TIP3 OH258661 4.260 0.711 3.183 1745TIP3 H158662 4.279 0.721 3.278 1745TIP3 H258663 4.245 0.615 3.177 1745TIP3 OH258664 3.875 0.384 3.464 1745TIP3 H158665 3.807 0.334 3.513 1745TIP3 H258666 3.903 0.316 3.399 1745TIP3 OH258667 3.980 0.190 3.290 1745TIP3 H158668 3.969 0.189 3.194 1745TIP3 H258669 4.076 0.197 3.299 1745TIP3 OH258670 3.957 1.307 3.398 1745TIP3 H158671 4.053 1.316 3.405 1745TIP3 H258672 3.940 1.357 3.317 1745TIP3 OH258673 3.333 0.752 3.349 1745TIP3 H158674 3.429 0.769 3.364 1745TIP3 H258675 3.336 0.672 3.293 1745TIP3 OH258676 3.239 1.268 3.820 1745TIP3 H158677 3.164 1.232 3.767 1745TIP3 H258678 3.242 1.203 3.893 1745TIP3 OH258679 3.277 1.069 4.019 1745TIP3 H158680 3.244 0.983 4.049 1745TIP3 H258681 3.294 1.109 4.106 1745TIP3 OH258682 3.279 0.375 4.260 1745TIP3 H158683 3.319 0.400 4.175 1745TIP3 H258684 3.355 0.370 4.320 1745TIP3 OH258685 3.355 -0.211 4.192 1745TIP3 H158686 3.378 -0.305 4.199 1745TIP3 H258687 3.414 -0.174 4.258 1746TIP3 OH258688 3.197 0.072 4.304 1746TIP3 H158689 3.236 0.033 4.224 1746TIP3 H258690 3.223 0.166 4.295 1746TIP3 OH258691 3.252 -0.315 3.700 1746TIP3 H158692 3.158 -0.320 3.674 1746TIP3 H258693 3.292 -0.262 3.628 1746TIP3 OH258694 3.417 1.113 4.266 1746TIP3 H158695 3.452 1.114 4.357 1746TIP3 H258696 3.500 1.092 4.218 1746TIP3 OH258697 3.635 1.014 4.128 1746TIP3 H158698 3.629 0.919 4.141 1746TIP3 H258699 3.728 1.034 4.153 1746TIP3 OH258700 3.902 1.063 4.209 1746TIP3 H158701 3.951 0.980 4.196 1746TIP3 H258702 3.911 1.073 4.305 1746TIP3 OH258703 4.268 -0.362 4.132 1746TIP3 H158704 4.192 -0.417 4.161 1746TIP3 H258705 4.294 -0.409 4.052 1746TIP3 OH258706 3.503 -0.512 3.883 1746TIP3 H158707 3.415 -0.527 3.843 1746TIP3 H258708 3.546 -0.597 3.868 1746TIP3 OH258709 3.348 -0.516 3.469 1746TIP3 H158710 3.412 -0.456 3.428 1746TIP3 H258711 3.325 -0.470 3.551 1746TIP3 OH258712 3.930 -0.463 3.887 1746TIP3 H158713 4.026 -0.470 3.876 1746TIP3 H258714 3.913 -0.530 3.953 1746TIP3 OH258715 3.383 1.074 3.592 1746TIP3 H158716 3.316 1.062 3.523 1746TIP3 H258717 3.376 1.170 3.605 1747TIP3 OH258718 3.535 -0.333 3.317 1747TIP3 H158719 3.591 -0.398 3.271 1747TIP3 H258720 3.595 -0.305 3.389 1747TIP3 OH258721 4.084 -0.319 3.576 1747TIP3 H158722 4.058 -0.389 3.638 1747TIP3 H258723 4.053 -0.239 3.621 1747TIP3 OH258724 4.263 1.239 3.403 1747TIP3 H158725 4.351 1.277 3.385 1747TIP3 H258726 4.249 1.180 3.326 1747TIP3 OH258727 3.525 1.172 3.272 1747TIP3 H158728 3.496 1.196 3.361 1747TIP3 H258729 3.600 1.113 3.289 1747TIP3 OH258730 -3.173 2.287 3.928 1747TIP3 H158731 -3.161 2.384 3.931 1747TIP3 H258732 -3.236 2.278 3.856 1747TIP3 OH258733 -3.272 2.227 4.247 1747TIP3 H158734 -3.276 2.150 4.306 1747TIP3 H258735 -3.279 2.188 4.159 1747TIP3 OH258736 -2.918 2.504 4.039 1747TIP3 H158737 -2.954 2.436 4.097 1747TIP3 H258738 -2.880 2.563 4.108 1747TIP3 OH258739 -3.953 2.652 4.247 1747TIP3 H158740 -3.988 2.565 4.225 1747TIP3 H258741 -3.857 2.631 4.249 1747TIP3 OH258742 -4.223 2.027 3.647 1747TIP3 H158743 -4.239 2.106 3.702 1747TIP3 H258744 -4.306 1.980 3.661 1747TIP3 OH258745 -4.194 2.207 3.932 1747TIP3 H158746 -4.194 2.180 4.025 1747TIP3 H258747 -4.120 2.270 3.932 1748TIP3 OH258748 -3.208 3.044 4.112 1748TIP3 H158749 -3.146 2.975 4.084 1748TIP3 H258750 -3.236 3.014 4.200 1748TIP3 OH258751 -3.467 2.454 4.280 1748TIP3 H158752 -3.422 2.389 4.223 1748TIP3 H258753 -3.386 2.493 4.321 1748TIP3 OH258754 -3.121 1.928 4.323 1748TIP3 H158755 -3.074 1.844 4.339 1748TIP3 H258756 -3.110 1.940 4.227 1748TIP3 OH258757 -3.808 1.717 4.042 1748TIP3 H158758 -3.789 1.802 3.997 1748TIP3 H258759 -3.841 1.665 3.966 1748TIP3 OH258760 -3.018 1.737 3.872 1748TIP3 H158761 -2.963 1.693 3.940 1748TIP3 H258762 -2.949 1.779 3.817 1748TIP3 OH258763 -4.122 1.980 4.109 1748TIP3 H158764 -4.073 1.922 4.168 1748TIP3 H258765 -4.107 1.937 4.023 1748TIP3 OH258766 -3.602 2.126 4.055 1748TIP3 H158767 -3.526 2.071 4.083 1748TIP3 H258768 -3.647 2.066 3.992 1748TIP3 OH258769 -3.174 2.573 3.794 1748TIP3 H158770 -3.201 2.554 3.704 1748TIP3 H258771 -3.215 2.659 3.811 1748TIP3 OH258772 -2.838 1.658 4.073 1748TIP3 H158773 -2.856 1.591 4.141 1748TIP3 H258774 -2.784 1.719 4.126 1748TIP3 OH258775 -3.877 1.810 4.297 1748TIP3 H158776 -3.898 1.902 4.279 1748TIP3 H258777 -3.886 1.766 4.210 1749TIP3 OH258778 -4.183 2.534 3.630 1749TIP3 H158779 -4.263 2.556 3.579 1749TIP3 H258780 -4.187 2.599 3.703 1749TIP3 OH258781 -2.841 2.635 4.259 1749TIP3 H158782 -2.904 2.624 4.332 1749TIP3 H258783 -2.772 2.689 4.300 1749TIP3 OH258784 -3.510 1.355 4.178 1749TIP3 H158785 -3.515 1.258 4.182 1749TIP3 H258786 -3.593 1.380 4.222 1749TIP3 OH258787 -3.019 2.884 3.965 1749TIP3 H158788 -2.973 2.804 3.934 1749TIP3 H258789 -2.952 2.953 3.945 1749TIP3 OH258790 -2.878 2.673 3.822 1749TIP3 H158791 -2.922 2.621 3.754 1749TIP3 H258792 -2.880 2.609 3.897 1749TIP3 OH258793 -3.297 2.241 3.641 1749TIP3 H158794 -3.361 2.304 3.602 1749TIP3 H258795 -3.222 2.247 3.580 1749TIP3 OH258796 -3.267 2.062 3.343 1749TIP3 H158797 -3.202 2.093 3.409 1749TIP3 H258798 -3.211 2.005 3.289 1749TIP3 OH258799 -2.951 2.243 3.748 1749TIP3 H158800 -3.010 2.263 3.824 1749TIP3 H258801 -2.882 2.190 3.793 1749TIP3 OH258802 -3.777 2.325 3.922 1749TIP3 H158803 -3.817 2.278 3.847 1749TIP3 H258804 -3.722 2.256 3.963 1749TIP3 OH258805 -3.684 2.631 4.159 1749TIP3 H158806 -3.659 2.599 4.071 1749TIP3 H258807 -3.599 2.635 4.205 1750TIP3 OH258808 -3.768 2.195 4.270 1750TIP3 H158809 -3.698 2.191 4.202 1750TIP3 H258810 -3.724 2.241 4.343 1750TIP3 OH258811 -3.053 2.196 3.492 1750TIP3 H158812 -3.003 2.215 3.575 1750TIP3 H258813 -2.999 2.245 3.426 1750TIP3 OH258814 -3.303 2.848 3.851 1750TIP3 H158815 -3.256 2.878 3.930 1750TIP3 H258816 -3.353 2.926 3.825 1750TIP3 OH258817 -2.707 1.358 3.443 1750TIP3 H158818 -2.790 1.372 3.490 1750TIP3 H258819 -2.669 1.447 3.442 1750TIP3 OH258820 -3.889 2.191 3.674 1750TIP3 H158821 -3.916 2.270 3.625 1750TIP3 H258822 -3.963 2.131 3.656 1750TIP3 OH258823 -2.566 2.776 3.293 1750TIP3 H158824 -2.550 2.868 3.322 1750TIP3 H258825 -2.481 2.734 3.315 1750TIP3 OH258826 -4.292 2.750 4.216 1750TIP3 H158827 -4.208 2.711 4.243 1750TIP3 H258828 -4.305 2.811 4.289 1750TIP3 OH258829 -3.347 3.118 3.698 1750TIP3 H158830 -3.348 3.133 3.602 1750TIP3 H258831 -3.347 3.209 3.734 1750TIP3 OH258832 -3.977 3.029 3.861 1750TIP3 H158833 -3.950 2.991 3.948 1750TIP3 H258834 -4.058 2.979 3.846 1750TIP3 OH258835 -3.021 3.059 3.415 1750TIP3 H158836 -2.962 2.994 3.373 1750TIP3 H258837 -3.025 3.025 3.507 1751TIP3 OH258838 -3.079 3.004 3.697 1751TIP3 H158839 -3.174 3.020 3.714 1751TIP3 H258840 -3.062 2.932 3.760 1751TIP3 OH258841 -3.753 1.444 4.291 1751TIP3 H158842 -3.837 1.430 4.242 1751TIP3 H258843 -3.752 1.541 4.305 1751TIP3 OH258844 -2.896 2.303 3.291 1751TIP3 H158845 -2.907 2.274 3.199 1751TIP3 H258846 -2.799 2.313 3.297 1751TIP3 OH258847 -3.339 1.680 3.337 1751TIP3 H158848 -3.377 1.664 3.424 1751TIP3 H258849 -3.369 1.602 3.288 1751TIP3 OH258850 -3.767 1.949 3.884 1751TIP3 H158851 -3.863 1.945 3.866 1751TIP3 H258852 -3.732 1.930 3.795 1751TIP3 OH258853 -3.209 2.006 3.763 1751TIP3 H158854 -3.249 2.088 3.727 1751TIP3 H258855 -3.137 1.991 3.700 1751TIP3 OH258856 -3.129 1.947 4.043 1751TIP3 H158857 -3.154 2.003 3.968 1751TIP3 H258858 -3.105 1.866 3.994 1751TIP3 OH258859 -3.699 1.715 3.229 1751TIP3 H158860 -3.711 1.683 3.321 1751TIP3 H258861 -3.791 1.719 3.200 1751TIP3 OH258862 -4.320 1.718 3.938 1751TIP3 H158863 -4.297 1.701 4.031 1751TIP3 H258864 -4.277 1.645 3.894 1751TIP3 OH258865 -4.207 1.755 3.523 1751TIP3 H158866 -4.146 1.790 3.457 1751TIP3 H258867 -4.288 1.804 3.505 1752TIP3 OH258868 -3.499 1.713 3.984 1752TIP3 H158869 -3.591 1.701 4.013 1752TIP3 H258870 -3.450 1.686 4.063 1752TIP3 OH258871 -4.040 1.836 3.846 1752TIP3 H158872 -4.118 1.847 3.791 1752TIP3 H258873 -4.003 1.752 3.813 1752TIP3 OH258874 -3.672 1.862 3.616 1752TIP3 H158875 -3.575 1.868 3.630 1752TIP3 H258876 -3.691 1.932 3.552 1752TIP3 OH258877 -3.055 1.576 4.281 1752TIP3 H158878 -3.092 1.609 4.364 1752TIP3 H258879 -3.129 1.582 4.219 1752TIP3 OH258880 -3.829 1.993 3.391 1752TIP3 H158881 -3.883 1.953 3.322 1752TIP3 H258882 -3.744 2.009 3.345 1752TIP3 OH258883 -3.402 1.949 4.190 1752TIP3 H158884 -3.328 1.920 4.134 1752TIP3 H258885 -3.396 1.887 4.264 1752TIP3 OH258886 -3.873 1.601 3.789 1752TIP3 H158887 -3.915 1.514 3.800 1752TIP3 H258888 -3.787 1.577 3.750 1752TIP3 OH258889 -3.478 2.448 3.582 1752TIP3 H158890 -3.555 2.398 3.548 1752TIP3 H258891 -3.496 2.452 3.679 1752TIP3 OH258892 -3.063 1.729 3.356 1752TIP3 H158893 -3.161 1.732 3.355 1752TIP3 H258894 -3.039 1.801 3.418 1752TIP3 OH258895 -2.999 1.916 3.557 1752TIP3 H158896 -2.914 1.897 3.601 1752TIP3 H258897 -2.981 2.002 3.517 1753TIP3 OH258898 -3.972 2.338 4.150 1753TIP3 H158899 -3.904 2.367 4.087 1753TIP3 H258900 -3.918 2.283 4.210 1753TIP3 OH258901 -3.239 2.584 3.471 1753TIP3 H158902 -3.264 2.670 3.512 1753TIP3 H258903 -3.313 2.528 3.502 1753TIP3 OH258904 -2.718 2.772 3.544 1753TIP3 H158905 -2.740 2.697 3.602 1753TIP3 H258906 -2.657 2.732 3.482 1753TIP3 OH258907 -3.003 2.323 4.248 1753TIP3 H158908 -3.092 2.291 4.268 1753TIP3 H258909 -2.964 2.247 4.201 1753TIP3 OH258910 -3.725 2.713 3.871 1753TIP3 H158911 -3.686 2.801 3.876 1753TIP3 H258912 -3.820 2.734 3.869 1753TIP3 OH258913 -4.151 2.211 3.360 1753TIP3 H158914 -4.080 2.267 3.398 1753TIP3 H258915 -4.228 2.268 3.376 1753TIP3 OH258916 -3.544 2.485 3.858 1753TIP3 H158917 -3.577 2.576 3.861 1753TIP3 H258918 -3.621 2.435 3.892 1753TIP3 OH258919 -3.681 3.007 3.809 1753TIP3 H158920 -3.776 3.019 3.821 1753TIP3 H258921 -3.647 3.094 3.839 1753TIP3 OH258922 -2.971 2.617 3.337 1753TIP3 H158923 -2.925 2.571 3.410 1753TIP3 H258924 -3.063 2.600 3.365 1753TIP3 OH258925 -2.495 3.041 3.389 1753TIP3 H158926 -2.425 3.106 3.369 1753TIP3 H258927 -2.572 3.102 3.391 1754TIP3 OH258928 -2.870 2.479 3.575 1754TIP3 H158929 -2.898 2.405 3.632 1754TIP3 H258930 -2.773 2.473 3.582 1754TIP3 OH258931 -3.545 2.718 3.191 1754TIP3 H158932 -3.513 2.638 3.147 1754TIP3 H258933 -3.586 2.681 3.271 1754TIP3 OH258934 -3.660 2.672 3.463 1754TIP3 H158935 -3.612 2.620 3.529 1754TIP3 H258936 -3.648 2.763 3.497 1754TIP3 OH258937 -3.986 2.413 3.499 1754TIP3 H158938 -4.056 2.454 3.556 1754TIP3 H258939 -3.937 2.494 3.477 1754TIP3 OH258940 -3.148 1.610 3.630 1754TIP3 H158941 -3.121 1.664 3.554 1754TIP3 H258942 -3.101 1.655 3.703 1754TIP3 OH258943 -3.367 2.832 3.526 1754TIP3 H158944 -3.447 2.883 3.549 1754TIP3 H258945 -3.329 2.885 3.456 1754TIP3 OH258946 -3.410 1.809 3.726 1754TIP3 H158947 -3.331 1.865 3.740 1754TIP3 H258948 -3.435 1.788 3.818 1754TIP3 OH258949 -3.350 1.508 3.817 1754TIP3 H158950 -3.361 1.569 3.892 1754TIP3 H258951 -3.272 1.547 3.773 1754TIP3 OH258952 -3.647 2.942 3.527 1754TIP3 H158953 -3.652 3.025 3.475 1754TIP3 H258954 -3.659 2.975 3.618 1754TIP3 OH258955 -3.771 1.612 3.477 1754TIP3 H158956 -3.765 1.689 3.537 1754TIP3 H258957 -3.692 1.561 3.506 1755TIP3 OH258958 -2.898 2.085 4.147 1755TIP3 H158959 -2.971 2.039 4.104 1755TIP3 H258960 -2.839 2.010 4.173 1755TIP3 OH258961 -3.930 2.700 3.381 1755TIP3 H158962 -3.855 2.743 3.424 1755TIP3 H258963 -3.884 2.644 3.318 1755TIP3 OH258964 -4.102 1.917 3.277 1755TIP3 H158965 -4.101 2.005 3.318 1755TIP3 H258966 -4.194 1.899 3.262 1755TIP3 OH258967 -2.764 3.066 4.315 1755TIP3 H158968 -2.828 3.049 4.246 1755TIP3 H258969 -2.682 3.026 4.284 1755TIP3 OH258970 -4.023 1.402 4.168 1755TIP3 H158971 -4.059 1.408 4.077 1755TIP3 H258972 -4.073 1.327 4.205 1755TIP3 OH258973 -4.139 2.770 3.795 1755TIP3 H158974 -4.227 2.808 3.804 1755TIP3 H258975 -4.103 2.818 3.719 1755TIP3 OH258976 -3.323 2.892 3.240 1755TIP3 H158977 -3.399 2.830 3.236 1755TIP3 H258978 -3.252 2.834 3.208 1755TIP3 OH258979 -2.860 2.880 3.251 1755TIP3 H158980 -2.846 2.802 3.308 1755TIP3 H258981 -2.777 2.883 3.201 1755TIP3 OH258982 -3.781 2.461 3.227 1755TIP3 H158983 -3.762 2.406 3.305 1755TIP3 H258984 -3.695 2.461 3.182 1755TIP3 OH258985 -3.257 2.597 3.187 1755TIP3 H158986 -3.259 2.593 3.285 1755TIP3 H258987 -3.262 2.501 3.167 1756TIP3 OH258988 -3.674 2.273 3.459 1756TIP3 H158989 -3.734 2.224 3.517 1756TIP3 H258990 -3.643 2.203 3.398 1756TIP3 OH258991 -3.576 2.070 3.283 1756TIP3 H158992 -3.576 2.085 3.187 1756TIP3 H258993 -3.480 2.068 3.303 1756TIP3 OH258994 -2.616 2.327 3.219 1756TIP3 H158995 -2.631 2.281 3.135 1756TIP3 H258996 -2.633 2.420 3.194 1756TIP3 OH258997 -3.599 3.196 3.396 1756TIP3 H158998 -3.504 3.210 3.409 1756TIP3 H258999 -3.612 3.243 3.313 1756TIP3 OH259000 -4.197 2.689 3.305 1756TIP3 H159001 -4.120 2.680 3.365 1756TIP3 H259002 -4.220 2.598 3.284 1756TIP3 OH259003 -4.275 2.964 4.017 1756TIP3 H159004 -4.275 2.874 4.056 1756TIP3 H259005 -4.244 3.011 4.096 1756TIP3 OH259006 -2.488 3.102 4.272 1756TIP3 H159007 -2.512 3.087 4.365 1756TIP3 H259008 -2.392 3.095 4.277 1756TIP3 OH259009 -2.586 2.468 3.615 1756TIP3 H159010 -2.494 2.490 3.638 1756TIP3 H259011 -2.600 2.395 3.678 1756TIP3 OH259012 -2.543 2.278 3.825 1756TIP3 H159013 -2.587 2.192 3.829 1756TIP3 H259014 -2.464 2.262 3.881 1756TIP3 OH259015 -2.564 2.492 4.331 1756TIP3 H159016 -2.508 2.437 4.276 1756TIP3 H259017 -2.561 2.577 4.287 1757TIP3 OH259018 -2.563 2.193 3.469 1757TIP3 H159019 -2.568 2.243 3.386 1757TIP3 H259020 -2.516 2.249 3.531 1757TIP3 OH259021 -2.714 1.961 3.290 1757TIP3 H159022 -2.643 2.012 3.251 1757TIP3 H259023 -2.693 1.870 3.266 1757TIP3 OH259024 -2.774 2.070 3.886 1757TIP3 H159025 -2.753 1.976 3.875 1757TIP3 H259026 -2.785 2.080 3.982 1757TIP3 OH259027 -4.217 2.352 4.317 1757TIP3 H159028 -4.267 2.326 4.239 1757TIP3 H259029 -4.141 2.293 4.313 1757TIP3 OH259030 -2.735 1.686 3.206 1757TIP3 H159031 -2.677 1.647 3.274 1757TIP3 H259032 -2.820 1.642 3.220 1757TIP3 OH259033 -2.769 1.823 3.710 1757TIP3 H159034 -2.731 1.733 3.713 1757TIP3 H259035 -2.688 1.874 3.689 1757TIP3 OH259036 -2.740 1.884 4.220 1757TIP3 H159037 -2.644 1.884 4.233 1757TIP3 H259038 -2.773 1.879 4.312 1757TIP3 OH259039 -2.709 1.538 3.706 1757TIP3 H159040 -2.699 1.509 3.798 1757TIP3 H259041 -2.791 1.493 3.680 1757TIP3 OH259042 -4.168 1.691 4.194 1757TIP3 H159043 -4.170 1.595 4.210 1757TIP3 H259044 -4.111 1.719 4.266 1757TIP3 OH259045 -4.343 1.945 4.318 1757TIP3 H159046 -4.307 1.899 4.241 1757TIP3 H259047 -4.300 2.031 4.311 1758TIP3 OH259048 -2.527 1.585 3.366 1758TIP3 H159049 -2.480 1.509 3.329 1758TIP3 H259050 -2.453 1.642 3.397 1758TIP3 OH259051 -4.316 1.542 3.648 1758TIP3 H159052 -4.401 1.573 3.613 1758TIP3 H259053 -4.256 1.613 3.614 1758TIP3 OH259054 -2.827 3.088 3.907 1758TIP3 H159055 -2.783 3.062 3.823 1758TIP3 H259056 -2.755 3.136 3.950 1758TIP3 OH259057 -4.155 2.997 4.265 1758TIP3 H159058 -4.135 3.003 4.359 1758TIP3 H259059 -4.064 3.000 4.231 1758TIP3 OH259060 -3.904 2.904 4.106 1758TIP3 H159061 -3.924 2.817 4.146 1758TIP3 H259062 -3.821 2.928 4.150 1758TIP3 OH259063 -3.633 2.956 4.211 1758TIP3 H159064 -3.608 2.866 4.185 1758TIP3 H259065 -3.627 2.950 4.307 1758TIP3 OH259066 -3.300 1.553 4.126 1758TIP3 H159067 -3.360 1.480 4.153 1758TIP3 H259068 -3.231 1.504 4.077 1758TIP3 OH259069 -2.801 1.355 4.157 1758TIP3 H159070 -2.726 1.399 4.113 1758TIP3 H259071 -2.877 1.389 4.109 1758TIP3 OH259072 -2.599 1.452 3.961 1758TIP3 H159073 -2.526 1.413 3.911 1758TIP3 H259074 -2.564 1.542 3.978 1758TIP3 OH259075 -4.108 1.403 3.885 1758TIP3 H159076 -4.180 1.371 3.829 1758TIP3 H259077 -4.044 1.329 3.877 1759TIP3 OH259078 -4.183 1.364 3.467 1759TIP3 H159079 -4.133 1.432 3.419 1759TIP3 H259080 -4.234 1.419 3.530 1759TIP3 OH259081 -3.614 1.395 3.892 1759TIP3 H159082 -3.525 1.427 3.871 1759TIP3 H259083 -3.607 1.382 3.987 1759TIP3 OH259084 -3.068 1.407 4.004 1759TIP3 H159085 -3.025 1.381 3.921 1759TIP3 H259086 -3.091 1.321 4.042 1759TIP3 OH259087 -2.946 1.402 3.617 1759TIP3 H159088 -3.028 1.452 3.602 1759TIP3 H259089 -2.980 1.312 3.631 1759TIP3 OH259090 -4.194 2.966 3.576 1759TIP3 H159091 -4.243 2.945 3.495 1759TIP3 H259092 -4.181 3.062 3.568 1759TIP3 OH259093 -4.003 1.558 3.319 1759TIP3 H159094 -3.949 1.492 3.272 1759TIP3 H259095 -3.943 1.582 3.392 1759TIP3 OH259096 -3.501 1.566 3.584 1759TIP3 H159097 -3.462 1.508 3.651 1759TIP3 H259098 -3.477 1.653 3.621 1759TIP3 OH259099 -3.295 3.145 3.403 1759TIP3 H159100 -3.197 3.144 3.401 1759TIP3 H259101 -3.314 3.077 3.336 1759TIP3 OH259102 -2.645 3.046 3.664 1759TIP3 H159103 -2.668 2.962 3.620 1759TIP3 H259104 -2.649 3.108 3.589 1759TIP3 OH259105 -4.011 3.064 3.271 1759TIP3 H159106 -4.040 3.082 3.361 1759TIP3 H259107 -3.940 2.999 3.285 1760TIP3 OH259108 -1.282 2.288 3.923 1760TIP3 H159109 -1.276 2.385 3.928 1760TIP3 H259110 -1.351 2.276 3.856 1760TIP3 OH259111 -1.380 2.227 4.246 1760TIP3 H159112 -1.390 2.154 4.309 1760TIP3 H259113 -1.397 2.184 4.161 1760TIP3 OH259114 -1.027 2.502 4.042 1760TIP3 H159115 -1.066 2.435 4.101 1760TIP3 H259116 -0.992 2.562 4.111 1760TIP3 OH259117 -2.074 2.651 4.245 1760TIP3 H159118 -2.100 2.559 4.223 1760TIP3 H259119 -1.979 2.636 4.259 1760TIP3 OH259120 -2.295 2.235 3.979 1760TIP3 H159121 -2.279 2.152 4.028 1760TIP3 H259122 -2.220 2.238 3.920 1760TIP3 OH259123 -1.339 3.033 4.110 1760TIP3 H159124 -1.262 2.978 4.086 1760TIP3 H259125 -1.355 3.009 4.203 1760TIP3 OH259126 -1.580 2.454 4.279 1760TIP3 H159127 -1.535 2.390 4.222 1760TIP3 H259128 -1.501 2.493 4.321 1760TIP3 OH259129 -1.231 1.931 4.323 1760TIP3 H159130 -1.189 1.845 4.341 1760TIP3 H259131 -1.225 1.937 4.225 1760TIP3 OH259132 -1.925 1.720 4.043 1760TIP3 H159133 -1.906 1.804 3.997 1760TIP3 H259134 -1.955 1.667 3.966 1760TIP3 OH259135 -1.128 1.740 3.872 1760TIP3 H159136 -1.074 1.692 3.938 1760TIP3 H259137 -1.059 1.779 3.816 1761TIP3 OH259138 -2.220 1.981 4.099 1761TIP3 H159139 -2.179 1.913 4.153 1761TIP3 H259140 -2.221 1.938 4.011 1761TIP3 OH259141 -1.716 2.125 4.054 1761TIP3 H159142 -1.642 2.069 4.083 1761TIP3 H259143 -1.762 2.067 3.991 1761TIP3 OH259144 -1.283 2.575 3.793 1761TIP3 H159145 -1.317 2.550 3.707 1761TIP3 H259146 -1.329 2.659 3.811 1761TIP3 OH259147 -0.946 1.651 4.072 1761TIP3 H159148 -0.985 1.602 4.146 1761TIP3 H259149 -0.885 1.708 4.121 1761TIP3 OH259150 -1.997 1.810 4.299 1761TIP3 H159151 -2.011 1.903 4.277 1761TIP3 H259152 -1.999 1.766 4.212 1761TIP3 OH259153 -2.304 2.545 3.625 1761TIP3 H159154 -2.335 2.595 3.548 1761TIP3 H259155 -2.294 2.613 3.694 1761TIP3 OH259156 -0.945 2.634 4.260 1761TIP3 H159157 -1.018 2.623 4.324 1761TIP3 H259158 -0.928 2.728 4.275 1761TIP3 OH259159 -1.624 1.356 4.178 1761TIP3 H159160 -1.628 1.259 4.183 1761TIP3 H259161 -1.707 1.380 4.222 1761TIP3 OH259162 -1.132 2.883 3.965 1761TIP3 H159163 -1.085 2.804 3.932 1761TIP3 H259164 -1.067 2.954 3.947 1761TIP3 OH259165 -0.988 2.669 3.823 1761TIP3 H159166 -1.042 2.622 3.757 1761TIP3 H259167 -0.995 2.606 3.898 1762TIP3 OH259168 -1.409 2.244 3.643 1762TIP3 H159169 -1.477 2.301 3.602 1762TIP3 H259170 -1.338 2.246 3.576 1762TIP3 OH259171 -1.381 2.062 3.348 1762TIP3 H159172 -1.310 2.092 3.407 1762TIP3 H259173 -1.332 2.003 3.289 1762TIP3 OH259174 -1.061 2.242 3.750 1762TIP3 H159175 -1.126 2.263 3.820 1762TIP3 H259176 -0.998 2.186 3.800 1762TIP3 OH259177 -1.894 2.325 3.923 1762TIP3 H159178 -1.934 2.279 3.846 1762TIP3 H259179 -1.840 2.254 3.963 1762TIP3 OH259180 -1.798 2.643 4.152 1762TIP3 H159181 -1.769 2.592 4.076 1762TIP3 H259182 -1.721 2.641 4.210 1762TIP3 OH259183 -1.880 2.202 4.271 1762TIP3 H159184 -1.812 2.193 4.202 1762TIP3 H259185 -1.830 2.235 4.346 1762TIP3 OH259186 -1.163 2.188 3.494 1762TIP3 H159187 -1.116 2.215 3.575 1762TIP3 H259188 -1.114 2.240 3.426 1762TIP3 OH259189 -1.411 2.851 3.851 1762TIP3 H159190 -1.370 2.876 3.935 1762TIP3 H259191 -1.474 2.922 3.835 1762TIP3 OH259192 -0.823 1.364 3.446 1762TIP3 H159193 -0.909 1.377 3.491 1762TIP3 H259194 -0.784 1.452 3.454 1762TIP3 OH259195 -2.007 2.193 3.682 1762TIP3 H159196 -2.031 2.267 3.624 1762TIP3 H259197 -2.072 2.126 3.657 1763TIP3 OH259198 -0.681 2.775 3.299 1763TIP3 H159199 -0.664 2.868 3.322 1763TIP3 H259200 -0.595 2.734 3.317 1763TIP3 OH259201 -2.388 2.738 4.237 1763TIP3 H159202 -2.292 2.730 4.244 1763TIP3 H259203 -2.406 2.818 4.288 1763TIP3 OH259204 -1.480 3.184 3.711 1763TIP3 H159205 -1.481 3.127 3.632 1763TIP3 H259206 -1.406 3.241 3.693 1763TIP3 OH259207 -2.080 3.032 3.864 1763TIP3 H159208 -2.069 2.984 3.949 1763TIP3 H259209 -2.162 2.993 3.832 1763TIP3 OH259210 -1.137 3.061 3.412 1763TIP3 H159211 -1.077 2.997 3.367 1763TIP3 H259212 -1.139 3.025 3.503 1763TIP3 OH259213 -1.194 3.005 3.697 1763TIP3 H159214 -1.288 3.011 3.718 1763TIP3 H259215 -1.171 2.932 3.756 1763TIP3 OH259216 -1.867 1.445 4.291 1763TIP3 H159217 -1.951 1.435 4.242 1763TIP3 H259218 -1.863 1.541 4.307 1763TIP3 OH259219 -1.009 2.295 3.291 1763TIP3 H159220 -1.027 2.274 3.197 1763TIP3 H259221 -0.915 2.318 3.287 1763TIP3 OH259222 -1.442 1.671 3.346 1763TIP3 H159223 -1.493 1.660 3.428 1763TIP3 H259224 -1.485 1.604 3.289 1763TIP3 OH259225 -1.882 1.950 3.883 1763TIP3 H159226 -1.978 1.946 3.866 1763TIP3 H259227 -1.848 1.927 3.795 1764TIP3 OH259228 -1.321 2.007 3.764 1764TIP3 H159229 -1.362 2.088 3.727 1764TIP3 H259230 -1.252 1.990 3.697 1764TIP3 OH259231 -1.241 1.947 4.042 1764TIP3 H159232 -1.269 2.002 3.967 1764TIP3 H259233 -1.219 1.865 3.994 1764TIP3 OH259234 -1.800 1.715 3.234 1764TIP3 H159235 -1.836 1.682 3.319 1764TIP3 H259236 -1.880 1.731 3.184 1764TIP3 OH259237 -2.455 1.681 3.967 1764TIP3 H159238 -2.387 1.684 4.037 1764TIP3 H259239 -2.404 1.683 3.885 1764TIP3 OH259240 -2.317 1.740 3.477 1764TIP3 H159241 -2.249 1.796 3.436 1764TIP3 H259242 -2.356 1.805 3.540 1764TIP3 OH259243 -1.612 1.715 3.984 1764TIP3 H159244 -1.706 1.702 4.008 1764TIP3 H259245 -1.567 1.685 4.065 1764TIP3 OH259246 -2.162 1.845 3.848 1764TIP3 H159247 -2.245 1.868 3.798 1764TIP3 H259248 -2.134 1.765 3.801 1764TIP3 OH259249 -1.785 1.862 3.620 1764TIP3 H159250 -1.688 1.874 3.626 1764TIP3 H259251 -1.812 1.924 3.549 1764TIP3 OH259252 -1.169 1.580 4.273 1764TIP3 H159253 -1.202 1.606 4.361 1764TIP3 H259254 -1.249 1.580 4.219 1764TIP3 OH259255 -1.938 1.988 3.399 1764TIP3 H159256 -2.000 1.963 3.329 1764TIP3 H259257 -1.858 2.007 3.347 1765TIP3 OH259258 -1.515 1.951 4.191 1765TIP3 H159259 -1.444 1.917 4.134 1765TIP3 H259260 -1.513 1.887 4.264 1765TIP3 OH259261 -1.977 1.612 3.790 1765TIP3 H159262 -2.035 1.535 3.801 1765TIP3 H259263 -1.901 1.575 3.744 1765TIP3 OH259264 -1.594 2.450 3.583 1765TIP3 H159265 -1.668 2.397 3.546 1765TIP3 H259266 -1.613 2.449 3.679 1765TIP3 OH259267 -1.175 1.736 3.355 1765TIP3 H159268 -1.273 1.728 3.356 1765TIP3 H259269 -1.157 1.804 3.423 1765TIP3 OH259270 -1.108 1.912 3.563 1765TIP3 H159271 -1.021 1.895 3.605 1765TIP3 H259272 -1.095 2.001 3.524 1765TIP3 OH259273 -2.090 2.362 4.179 1765TIP3 H159274 -2.038 2.371 4.098 1765TIP3 H259275 -2.044 2.289 4.222 1765TIP3 OH259276 -1.354 2.585 3.472 1765TIP3 H159277 -1.375 2.668 3.517 1765TIP3 H259278 -1.428 2.528 3.501 1765TIP3 OH259279 -0.651 1.912 3.542 1765TIP3 H159280 -0.704 1.891 3.463 1765TIP3 H259281 -0.637 2.007 3.527 1765TIP3 OH259282 -0.832 2.773 3.546 1765TIP3 H159283 -0.851 2.696 3.602 1765TIP3 H259284 -0.774 2.736 3.478 1765TIP3 OH259285 -1.114 2.320 4.251 1765TIP3 H159286 -1.206 2.292 4.266 1765TIP3 H259287 -1.079 2.244 4.200 1766TIP3 OH259288 -1.839 2.715 3.860 1766TIP3 H159289 -1.799 2.801 3.879 1766TIP3 H259290 -1.933 2.735 3.866 1766TIP3 OH259291 -2.244 2.200 3.349 1766TIP3 H159292 -2.185 2.265 3.392 1766TIP3 H259293 -2.329 2.223 3.388 1766TIP3 OH259294 -1.658 2.486 3.862 1766TIP3 H159295 -1.696 2.576 3.861 1766TIP3 H259296 -1.734 2.434 3.892 1766TIP3 OH259297 -1.793 3.023 3.808 1766TIP3 H159298 -1.890 3.019 3.820 1766TIP3 H259299 -1.769 3.095 3.867 1766TIP3 OH259300 -1.083 2.616 3.336 1766TIP3 H159301 -1.041 2.570 3.411 1766TIP3 H259302 -1.176 2.601 3.360 1766TIP3 OH259303 -0.610 3.042 3.390 1766TIP3 H159304 -0.539 3.105 3.370 1766TIP3 H259305 -0.686 3.102 3.390 1766TIP3 OH259306 -0.987 2.476 3.574 1766TIP3 H159307 -1.014 2.404 3.634 1766TIP3 H259308 -0.890 2.474 3.583 1766TIP3 OH259309 -1.658 2.721 3.195 1766TIP3 H159310 -1.631 2.642 3.144 1766TIP3 H259311 -1.703 2.680 3.271 1766TIP3 OH259312 -1.772 2.673 3.463 1766TIP3 H159313 -1.728 2.618 3.529 1766TIP3 H259314 -1.762 2.763 3.500 1766TIP3 OH259315 -2.091 2.416 3.503 1766TIP3 H159316 -2.163 2.453 3.557 1766TIP3 H259317 -2.045 2.498 3.477 1767TIP3 OH259318 -1.259 1.607 3.633 1767TIP3 H159319 -1.243 1.663 3.556 1767TIP3 H259320 -1.215 1.657 3.704 1767TIP3 OH259321 -1.477 2.858 3.537 1767TIP3 H159322 -1.570 2.886 3.536 1767TIP3 H259323 -1.447 2.882 3.448 1767TIP3 OH259324 -1.518 1.807 3.727 1767TIP3 H159325 -1.443 1.866 3.744 1767TIP3 H259326 -1.550 1.788 3.817 1767TIP3 OH259327 -1.464 1.507 3.818 1767TIP3 H159328 -1.477 1.571 3.891 1767TIP3 H259329 -1.388 1.547 3.771 1767TIP3 OH259330 -1.756 2.943 3.530 1767TIP3 H159331 -1.767 3.022 3.473 1767TIP3 H259332 -1.774 2.979 3.619 1767TIP3 OH259333 -1.887 1.610 3.476 1767TIP3 H159334 -1.886 1.687 3.535 1767TIP3 H259335 -1.806 1.563 3.504 1767TIP3 OH259336 -1.010 2.088 4.136 1767TIP3 H159337 -1.089 2.038 4.107 1767TIP3 H259338 -0.954 2.016 4.172 1767TIP3 OH259339 -2.047 2.698 3.380 1767TIP3 H159340 -1.972 2.745 3.421 1767TIP3 H259341 -1.999 2.646 3.313 1767TIP3 OH259342 -2.224 1.926 3.274 1767TIP3 H159343 -2.223 2.015 3.314 1767TIP3 H259344 -2.318 1.908 3.268 1767TIP3 OH259345 -0.875 3.054 4.330 1767TIP3 H159346 -0.932 3.096 4.262 1767TIP3 H259347 -0.789 3.053 4.286 1768TIP3 OH259348 -2.144 1.415 4.172 1768TIP3 H159349 -2.159 1.419 4.075 1768TIP3 H259350 -2.179 1.328 4.195 1768TIP3 OH259351 -2.251 2.768 3.799 1768TIP3 H159352 -2.329 2.819 3.826 1768TIP3 H259353 -2.216 2.821 3.726 1768TIP3 OH259354 -1.438 2.888 3.250 1768TIP3 H159355 -1.513 2.828 3.233 1768TIP3 H259356 -1.366 2.836 3.209 1768TIP3 OH259357 -0.974 2.881 3.253 1768TIP3 H159358 -0.959 2.801 3.307 1768TIP3 H259359 -0.894 2.884 3.198 1768TIP3 OH259360 -1.894 2.466 3.227 1768TIP3 H159361 -1.880 2.405 3.302 1768TIP3 H259362 -1.808 2.459 3.181 1768TIP3 OH259363 -1.371 2.597 3.188 1768TIP3 H159364 -1.375 2.591 3.286 1768TIP3 H259365 -1.376 2.501 3.166 1768TIP3 OH259366 -1.783 2.271 3.464 1768TIP3 H159367 -1.849 2.222 3.516 1768TIP3 H259368 -1.756 2.203 3.399 1768TIP3 OH259369 -1.690 2.073 3.287 1768TIP3 H159370 -1.696 2.081 3.190 1768TIP3 H259371 -1.594 2.070 3.301 1768TIP3 OH259372 -0.740 2.318 3.212 1768TIP3 H159373 -0.763 2.288 3.123 1768TIP3 H259374 -0.742 2.415 3.198 1768TIP3 OH259375 -1.712 3.201 3.399 1768TIP3 H159376 -1.616 3.206 3.403 1768TIP3 H259377 -1.731 3.241 3.314 1769TIP3 OH259378 -2.324 2.639 3.346 1769TIP3 H159379 -2.229 2.655 3.365 1769TIP3 H259380 -2.320 2.557 3.292 1769TIP3 OH259381 -2.418 3.153 3.820 1769TIP3 H159382 -2.494 3.118 3.770 1769TIP3 H259383 -2.413 3.088 3.894 1769TIP3 OH259384 -2.383 2.956 4.019 1769TIP3 H159385 -2.409 2.867 4.048 1769TIP3 H259386 -2.357 2.992 4.106 1769TIP3 OH259387 -0.617 3.083 4.271 1769TIP3 H159388 -0.632 3.084 4.368 1769TIP3 H259389 -0.524 3.108 4.269 1769TIP3 OH259390 -0.701 2.463 3.614 1769TIP3 H159391 -0.610 2.495 3.629 1769TIP3 H259392 -0.708 2.398 3.687 1769TIP3 OH259393 -0.652 2.259 3.814 1769TIP3 H159394 -0.720 2.201 3.854 1769TIP3 H259395 -0.585 2.266 3.885 1769TIP3 OH259396 -0.637 2.500 4.341 1769TIP3 H159397 -0.631 2.432 4.271 1769TIP3 H259398 -0.693 2.568 4.300 1769TIP3 OH259399 -0.632 2.201 3.470 1769TIP3 H159400 -0.679 2.231 3.390 1769TIP3 H259401 -0.641 2.277 3.528 1769TIP3 OH259402 -0.814 1.956 3.289 1769TIP3 H159403 -0.769 2.014 3.225 1769TIP3 H259404 -0.820 1.873 3.241 1769TIP3 OH259405 -0.867 2.070 3.890 1769TIP3 H159406 -0.868 1.974 3.877 1769TIP3 H259407 -0.900 2.080 3.981 1770TIP3 OH259408 -2.377 2.256 4.263 1770TIP3 H159409 -2.345 2.283 4.175 1770TIP3 H259410 -2.294 2.259 4.314 1770TIP3 OH259411 -0.836 1.677 3.182 1770TIP3 H159412 -0.784 1.644 3.259 1770TIP3 H259413 -0.923 1.639 3.196 1770TIP3 OH259414 -0.874 1.816 3.711 1770TIP3 H159415 -0.848 1.722 3.724 1770TIP3 H259416 -0.793 1.851 3.669 1770TIP3 OH259417 -0.853 1.891 4.221 1770TIP3 H159418 -0.759 1.871 4.234 1770TIP3 H259419 -0.892 1.856 4.303 1770TIP3 OH259420 -0.823 1.538 3.732 1770TIP3 H159421 -0.806 1.495 3.817 1770TIP3 H259422 -0.903 1.489 3.702 1770TIP3 OH259423 -2.298 1.668 4.204 1770TIP3 H159424 -2.265 1.577 4.213 1770TIP3 H259425 -2.240 1.716 4.264 1770TIP3 OH259426 -2.462 1.959 4.304 1770TIP3 H159427 -2.422 1.923 4.223 1770TIP3 H259428 -2.434 2.053 4.296 1770TIP3 OH259429 -0.633 1.602 3.366 1770TIP3 H159430 -0.602 1.516 3.333 1770TIP3 H259431 -0.550 1.643 3.394 1770TIP3 OH259432 -2.401 1.554 3.680 1770TIP3 H159433 -2.497 1.570 3.681 1770TIP3 H259434 -2.368 1.629 3.628 1770TIP3 OH259435 -0.943 3.094 3.908 1770TIP3 H159436 -0.904 3.068 3.823 1770TIP3 H259437 -0.866 3.131 3.953 1771TIP3 OH259438 -2.240 2.992 4.262 1771TIP3 H159439 -2.204 2.996 4.353 1771TIP3 H259440 -2.156 2.974 4.214 1771TIP3 OH259441 -2.016 2.904 4.113 1771TIP3 H159442 -2.030 2.812 4.142 1771TIP3 H259443 -1.927 2.922 4.150 1771TIP3 OH259444 -1.750 2.957 4.210 1771TIP3 H159445 -1.714 2.869 4.190 1771TIP3 H259446 -1.736 2.961 4.305 1771TIP3 OH259447 -1.415 1.553 4.127 1771TIP3 H159448 -1.475 1.482 4.154 1771TIP3 H259449 -1.348 1.504 4.076 1771TIP3 OH259450 -0.886 1.346 4.090 1771TIP3 H159451 -0.815 1.410 4.109 1771TIP3 H259452 -0.967 1.398 4.105 1771TIP3 OH259453 -2.175 1.416 3.888 1771TIP3 H159454 -2.261 1.405 3.843 1771TIP3 H259455 -2.134 1.330 3.872 1771TIP3 OH259456 -2.296 1.366 3.476 1771TIP3 H159457 -2.247 1.433 3.425 1771TIP3 H259458 -2.336 1.421 3.546 1771TIP3 OH259459 -1.725 1.392 3.891 1771TIP3 H159460 -1.636 1.426 3.873 1771TIP3 H259461 -1.723 1.382 3.987 1771TIP3 OH259462 -1.181 1.409 4.006 1771TIP3 H159463 -1.144 1.382 3.921 1771TIP3 H259464 -1.204 1.323 4.046 1771TIP3 OH259465 -1.055 1.405 3.617 1771TIP3 H159466 -1.138 1.455 3.604 1771TIP3 H259467 -1.090 1.316 3.634 1772TIP3 OH259468 -2.274 2.961 3.592 1772TIP3 H159469 -2.339 2.947 3.522 1772TIP3 H259470 -2.280 3.057 3.603 1772TIP3 OH259471 -2.119 1.542 3.316 1772TIP3 H159472 -2.055 1.489 3.267 1772TIP3 H259473 -2.065 1.577 3.389 1772TIP3 OH259474 -1.614 1.564 3.582 1772TIP3 H159475 -1.578 1.509 3.653 1772TIP3 H259476 -1.596 1.652 3.619 1772TIP3 OH259477 -1.410 3.148 3.404 1772TIP3 H159478 -1.313 3.145 3.402 1772TIP3 H259479 -1.431 3.076 3.343 1772TIP3 OH259480 -0.762 3.046 3.665 1772TIP3 H159481 -0.783 2.962 3.618 1772TIP3 H259482 -0.761 3.109 3.590 1772TIP3 OH259483 -2.132 3.058 3.272 1772TIP3 H159484 -2.158 3.082 3.362 1772TIP3 H259485 -2.058 2.997 3.288 1772TIP3 OH259486 0.602 2.288 3.924 1772TIP3 H159487 0.610 2.385 3.928 1772TIP3 H259488 0.536 2.277 3.855 1772TIP3 OH259489 0.502 2.227 4.247 1772TIP3 H159490 0.494 2.151 4.306 1772TIP3 H259491 0.490 2.187 4.160 1772TIP3 OH259492 0.857 2.503 4.040 1772TIP3 H159493 0.817 2.436 4.098 1772TIP3 H259494 0.892 2.562 4.109 1772TIP3 OH259495 -0.192 2.643 4.246 1772TIP3 H159496 -0.207 2.552 4.214 1772TIP3 H259497 -0.095 2.637 4.257 1773TIP3 OH259498 -0.495 2.003 3.783 1773TIP3 H159499 -0.540 2.088 3.783 1773TIP3 H259500 -0.561 1.945 3.741 1773TIP3 OH259501 -0.414 2.236 3.981 1773TIP3 H159502 -0.394 2.150 4.023 1773TIP3 H259503 -0.336 2.247 3.925 1773TIP3 OH259504 0.561 3.043 4.112 1773TIP3 H159505 0.625 2.976 4.083 1773TIP3 H259506 0.536 3.013 4.201 1773TIP3 OH259507 0.305 2.456 4.279 1773TIP3 H159508 0.347 2.390 4.222 1773TIP3 H259509 0.386 2.492 4.320 1773TIP3 OH259510 0.654 1.930 4.323 1773TIP3 H159511 0.695 1.844 4.339 1773TIP3 H259512 0.659 1.938 4.226 1773TIP3 OH259513 -0.023 1.714 4.036 1773TIP3 H159514 -0.017 1.802 3.996 1773TIP3 H259515 -0.061 1.663 3.963 1773TIP3 OH259516 0.756 1.742 3.872 1773TIP3 H159517 0.813 1.695 3.938 1773TIP3 H259518 0.824 1.781 3.815 1773TIP3 OH259519 -0.344 1.983 4.099 1773TIP3 H159520 -0.298 1.919 4.153 1773TIP3 H259521 -0.341 1.940 4.012 1773TIP3 OH259522 0.167 2.125 4.057 1773TIP3 H159523 0.243 2.070 4.083 1773TIP3 H259524 0.124 2.068 3.991 1773TIP3 OH259525 0.599 2.573 3.794 1773TIP3 H159526 0.572 2.553 3.704 1773TIP3 H259527 0.555 2.658 3.810 1774TIP3 OH259528 0.937 1.659 4.072 1774TIP3 H159529 0.903 1.595 4.137 1774TIP3 H259530 0.988 1.718 4.130 1774TIP3 OH259531 -0.113 1.796 4.299 1774TIP3 H159532 -0.168 1.875 4.297 1774TIP3 H259533 -0.144 1.744 4.223 1774TIP3 OH259534 -0.428 2.546 3.628 1774TIP3 H159535 -0.442 2.595 3.545 1774TIP3 H259536 -0.408 2.616 3.693 1774TIP3 OH259537 0.932 2.634 4.259 1774TIP3 H159538 0.867 2.625 4.332 1774TIP3 H259539 0.995 2.695 4.298 1774TIP3 OH259540 0.261 1.358 4.184 1774TIP3 H159541 0.255 1.262 4.183 1774TIP3 H259542 0.174 1.383 4.221 1774TIP3 OH259543 0.752 2.884 3.965 1774TIP3 H159544 0.798 2.804 3.934 1774TIP3 H259545 0.819 2.953 3.945 1774TIP3 OH259546 0.896 2.670 3.823 1774TIP3 H159547 0.846 2.622 3.755 1774TIP3 H259548 0.890 2.606 3.897 1774TIP3 OH259549 0.476 2.245 3.643 1774TIP3 H159550 0.410 2.300 3.599 1774TIP3 H259551 0.548 2.244 3.577 1774TIP3 OH259552 0.503 2.060 3.348 1774TIP3 H159553 0.575 2.092 3.405 1774TIP3 H259554 0.553 2.003 3.287 1774TIP3 OH259555 0.826 2.243 3.750 1774TIP3 H159556 0.760 2.264 3.819 1774TIP3 H259557 0.887 2.186 3.800 1775TIP3 OH259558 -0.015 2.323 3.926 1775TIP3 H159559 -0.049 2.277 3.846 1775TIP3 H259560 0.045 2.256 3.963 1775TIP3 OH259561 0.084 2.634 4.158 1775TIP3 H159562 0.110 2.599 4.072 1775TIP3 H259563 0.167 2.631 4.207 1775TIP3 OH259564 0.007 2.213 4.272 1775TIP3 H159565 0.070 2.189 4.201 1775TIP3 H259566 0.066 2.227 4.346 1775TIP3 OH259567 0.721 2.189 3.494 1775TIP3 H159568 0.770 2.214 3.575 1775TIP3 H259569 0.771 2.239 3.425 1775TIP3 OH259570 0.467 2.847 3.853 1775TIP3 H159571 0.515 2.880 3.930 1775TIP3 H259572 0.418 2.926 3.823 1775TIP3 OH259573 1.067 1.361 3.444 1775TIP3 H159574 0.979 1.370 3.484 1775TIP3 H259575 1.101 1.452 3.450 1775TIP3 OH259576 -0.126 2.199 3.686 1775TIP3 H159577 -0.142 2.268 3.620 1775TIP3 H259578 -0.181 2.126 3.653 1775TIP3 OH259579 1.204 2.774 3.298 1775TIP3 H159580 1.220 2.868 3.322 1775TIP3 H259581 1.291 2.734 3.317 1775TIP3 OH259582 -0.480 2.734 4.285 1775TIP3 H159583 -0.393 2.736 4.242 1775TIP3 H259584 -0.504 2.828 4.278 1775TIP3 OH259585 0.422 3.118 3.699 1775TIP3 H159586 0.423 3.130 3.603 1775TIP3 H259587 0.424 3.209 3.732 1776TIP3 OH259588 -0.198 3.033 3.862 1776TIP3 H159589 -0.181 2.987 3.946 1776TIP3 H259590 -0.281 2.993 3.833 1776TIP3 OH259591 0.752 3.060 3.417 1776TIP3 H159592 0.810 2.995 3.373 1776TIP3 H259593 0.747 3.023 3.508 1776TIP3 OH259594 0.692 3.004 3.698 1776TIP3 H159595 0.596 3.019 3.713 1776TIP3 H259596 0.707 2.931 3.760 1776TIP3 OH259597 0.013 1.446 4.283 1776TIP3 H159598 -0.072 1.432 4.235 1776TIP3 H259599 0.011 1.541 4.301 1776TIP3 OH259600 0.878 2.297 3.296 1776TIP3 H159601 0.856 2.277 3.203 1776TIP3 H259602 0.973 2.318 3.289 1776TIP3 OH259603 0.431 1.655 3.325 1776TIP3 H159604 0.380 1.639 3.405 1776TIP3 H259605 0.392 1.588 3.264 1776TIP3 OH259606 0.006 1.956 3.882 1776TIP3 H159607 -0.089 1.941 3.866 1776TIP3 H259608 0.042 1.929 3.795 1776TIP3 OH259609 0.567 2.008 3.764 1776TIP3 H159610 0.524 2.088 3.726 1776TIP3 H259611 0.634 1.988 3.697 1776TIP3 OH259612 0.644 1.947 4.042 1776TIP3 H159613 0.617 2.002 3.966 1776TIP3 H259614 0.667 1.865 3.994 1776TIP3 OH259615 0.064 1.745 3.258 1776TIP3 H159616 0.056 1.666 3.314 1776TIP3 H259617 0.040 1.711 3.171 1777TIP3 OH259618 -0.535 1.717 3.948 1777TIP3 H159619 -0.539 1.673 4.035 1777TIP3 H259620 -0.527 1.640 3.890 1777TIP3 OH259621 -0.415 1.748 3.511 1777TIP3 H159622 -0.356 1.796 3.449 1777TIP3 H259623 -0.480 1.817 3.532 1777TIP3 OH259624 0.275 1.714 3.985 1777TIP3 H159625 0.180 1.704 4.006 1777TIP3 H259626 0.316 1.684 4.068 1777TIP3 OH259627 -0.255 1.839 3.848 1777TIP3 H159628 -0.346 1.851 3.817 1777TIP3 H259629 -0.230 1.753 3.808 1777TIP3 OH259630 0.101 1.870 3.625 1777TIP3 H159631 0.198 1.870 3.626 1777TIP3 H259632 0.078 1.921 3.546 1777TIP3 OH259633 0.721 1.584 4.277 1777TIP3 H159634 0.681 1.606 4.362 1777TIP3 H259635 0.643 1.577 4.219 1777TIP3 OH259636 -0.057 1.997 3.398 1777TIP3 H159637 -0.110 1.954 3.330 1777TIP3 H259638 0.028 2.006 3.351 1777TIP3 OH259639 0.371 1.952 4.194 1777TIP3 H159640 0.438 1.918 4.133 1777TIP3 H259641 0.373 1.884 4.263 1777TIP3 OH259642 -0.092 1.602 3.792 1777TIP3 H159643 -0.148 1.523 3.802 1777TIP3 H259644 -0.018 1.569 3.740 1777TIP3 OH259645 0.289 2.452 3.581 1777TIP3 H159646 0.216 2.397 3.546 1777TIP3 H259647 0.275 2.447 3.678 1778TIP3 OH259648 0.698 1.728 3.362 1778TIP3 H159649 0.601 1.725 3.352 1778TIP3 H259650 0.715 1.804 3.420 1778TIP3 OH259651 0.775 1.914 3.566 1778TIP3 H159652 0.864 1.895 3.602 1778TIP3 H259653 0.789 1.998 3.520 1778TIP3 OH259654 -0.205 2.364 4.177 1778TIP3 H159655 -0.152 2.369 4.097 1778TIP3 H259656 -0.157 2.292 4.223 1778TIP3 OH259657 0.533 2.584 3.475 1778TIP3 H159658 0.506 2.670 3.513 1778TIP3 H259659 0.459 2.528 3.501 1778TIP3 OH259660 1.236 1.911 3.540 1778TIP3 H159661 1.181 1.891 3.461 1778TIP3 H259662 1.248 2.007 3.525 1778TIP3 OH259663 1.057 2.774 3.548 1778TIP3 H159664 1.034 2.696 3.602 1778TIP3 H259665 1.111 2.736 3.477 1778TIP3 OH259666 0.769 2.322 4.249 1778TIP3 H159667 0.678 2.291 4.267 1778TIP3 H259668 0.807 2.247 4.201 1778TIP3 OH259669 0.045 2.714 3.874 1778TIP3 H159670 0.087 2.801 3.873 1778TIP3 H259671 -0.048 2.737 3.860 1778TIP3 OH259672 -0.357 2.199 3.352 1778TIP3 H159673 -0.296 2.263 3.392 1778TIP3 H259674 -0.443 2.228 3.386 1778TIP3 OH259675 0.228 2.485 3.867 1778TIP3 H159676 0.194 2.575 3.862 1778TIP3 H259677 0.150 2.435 3.894 1779TIP3 OH259678 0.089 3.006 3.814 1779TIP3 H159679 -0.006 3.023 3.819 1779TIP3 H259680 0.126 3.093 3.839 1779TIP3 OH259681 0.802 2.617 3.337 1779TIP3 H159682 0.845 2.570 3.411 1779TIP3 H259683 0.709 2.601 3.361 1779TIP3 OH259684 1.277 3.041 3.390 1779TIP3 H159685 1.346 3.106 3.368 1779TIP3 H259686 1.199 3.101 3.390 1779TIP3 OH259687 0.899 2.479 3.576 1779TIP3 H159688 0.872 2.405 3.633 1779TIP3 H259689 0.996 2.474 3.583 1779TIP3 OH259690 0.226 2.721 3.193 1779TIP3 H159691 0.255 2.642 3.144 1779TIP3 H259692 0.184 2.679 3.271 1779TIP3 OH259693 0.108 2.672 3.466 1779TIP3 H159694 0.163 2.618 3.526 1779TIP3 H259695 0.126 2.763 3.499 1779TIP3 OH259696 -0.207 2.416 3.502 1779TIP3 H159697 -0.277 2.455 3.558 1779TIP3 H259698 -0.157 2.495 3.477 1779TIP3 OH259699 0.623 1.608 3.634 1779TIP3 H159700 0.643 1.656 3.552 1779TIP3 H259701 0.671 1.658 3.701 1779TIP3 OH259702 0.406 2.835 3.528 1779TIP3 H159703 0.324 2.884 3.545 1779TIP3 H259704 0.442 2.881 3.452 1779TIP3 OH259705 0.366 1.808 3.727 1779TIP3 H159706 0.444 1.865 3.744 1779TIP3 H259707 0.335 1.789 3.817 1780TIP3 OH259708 0.423 1.507 3.821 1780TIP3 H159709 0.408 1.576 3.888 1780TIP3 H259710 0.497 1.547 3.770 1780TIP3 OH259711 0.125 2.942 3.528 1780TIP3 H159712 0.120 3.024 3.474 1780TIP3 H259713 0.113 2.977 3.618 1780TIP3 OH259714 -0.010 1.598 3.487 1780TIP3 H159715 0.000 1.683 3.531 1780TIP3 H259716 0.076 1.556 3.503 1780TIP3 OH259717 0.874 2.087 4.139 1780TIP3 H159718 0.796 2.039 4.107 1780TIP3 H259719 0.931 2.014 4.171 1780TIP3 OH259720 -0.163 2.697 3.381 1780TIP3 H159721 -0.088 2.744 3.421 1780TIP3 H259722 -0.114 2.646 3.314 1780TIP3 OH259723 -0.353 1.923 3.302 1780TIP3 H159724 -0.336 2.017 3.322 1780TIP3 H259725 -0.439 1.925 3.261 1780TIP3 OH259726 1.008 3.058 4.322 1780TIP3 H159727 0.947 3.061 4.247 1780TIP3 H259728 1.093 3.032 4.283 1780TIP3 OH259729 -0.237 1.421 4.166 1780TIP3 H159730 -0.278 1.449 4.083 1780TIP3 H259731 -0.315 1.386 4.213 1780TIP3 OH259732 -0.368 2.768 3.802 1780TIP3 H159733 -0.446 2.823 3.819 1780TIP3 H259734 -0.325 2.816 3.731 1780TIP3 OH259735 0.448 2.891 3.244 1780TIP3 H159736 0.373 2.828 3.234 1780TIP3 H259737 0.520 2.836 3.207 1781TIP3 OH259738 0.912 2.882 3.255 1781TIP3 H159739 0.925 2.800 3.306 1781TIP3 H259740 0.992 2.884 3.199 1781TIP3 OH259741 -0.009 2.464 3.227 1781TIP3 H159742 0.007 2.404 3.302 1781TIP3 H259743 0.077 2.459 3.181 1781TIP3 OH259744 0.513 2.598 3.190 1781TIP3 H159745 0.511 2.592 3.287 1781TIP3 H259746 0.511 2.502 3.168 1781TIP3 OH259747 0.100 2.274 3.464 1781TIP3 H159748 0.040 2.218 3.516 1781TIP3 H259749 0.132 2.209 3.398 1781TIP3 OH259750 0.197 2.081 3.291 1781TIP3 H159751 0.190 2.069 3.195 1781TIP3 H259752 0.293 2.069 3.305 1781TIP3 OH259753 1.146 2.325 3.220 1781TIP3 H159754 1.138 2.281 3.134 1781TIP3 H259755 1.136 2.419 3.193 1781TIP3 OH259756 0.171 3.196 3.396 1781TIP3 H159757 0.267 3.208 3.409 1781TIP3 H259758 0.159 3.242 3.312 1781TIP3 OH259759 -0.437 2.636 3.351 1781TIP3 H159760 -0.342 2.656 3.364 1781TIP3 H259761 -0.434 2.558 3.292 1781TIP3 OH259762 -0.536 3.155 3.822 1781TIP3 H159763 -0.609 3.118 3.769 1781TIP3 H259764 -0.527 3.088 3.893 1781TIP3 OH259765 -0.498 2.958 4.018 1781TIP3 H159766 -0.528 2.869 4.041 1781TIP3 H259767 -0.469 2.990 4.105 1782TIP3 OH259768 1.278 3.096 4.271 1782TIP3 H159769 1.256 3.086 4.365 1782TIP3 H259770 1.375 3.098 4.276 1782TIP3 OH259771 1.185 2.463 3.614 1782TIP3 H159772 1.276 2.494 3.630 1782TIP3 H259773 1.176 2.398 3.686 1782TIP3 OH259774 1.235 2.257 3.813 1782TIP3 H159775 1.165 2.202 3.854 1782TIP3 H259776 1.300 2.268 3.886 1782TIP3 OH259777 1.207 2.491 4.332 1782TIP3 H159778 1.265 2.439 4.275 1782TIP3 H259779 1.206 2.577 4.288 1782TIP3 OH259780 1.256 2.203 3.470 1782TIP3 H159781 1.205 2.230 3.391 1782TIP3 H259782 1.244 2.280 3.527 1782TIP3 OH259783 1.084 1.960 3.295 1782TIP3 H159784 1.111 2.016 3.221 1782TIP3 H259785 1.059 1.877 3.250 1782TIP3 OH259786 1.023 2.072 3.893 1782TIP3 H159787 1.018 1.977 3.876 1782TIP3 H259788 0.986 2.080 3.983 1782TIP3 OH259789 -0.493 2.278 4.255 1782TIP3 H159790 -0.452 2.282 4.166 1782TIP3 H259791 -0.417 2.255 4.312 1782TIP3 OH259792 1.028 1.695 3.218 1782TIP3 H159793 1.086 1.641 3.275 1782TIP3 H259794 0.949 1.639 3.206 1782TIP3 OH259795 1.012 1.822 3.712 1782TIP3 H159796 1.035 1.726 3.716 1782TIP3 H259797 1.092 1.857 3.669 1783TIP3 OH259798 1.035 1.890 4.219 1783TIP3 H159799 1.130 1.887 4.235 1783TIP3 H259800 0.997 1.868 4.306 1783TIP3 OH259801 1.058 1.543 3.707 1783TIP3 H159802 1.069 1.508 3.797 1783TIP3 H259803 0.979 1.493 3.677 1783TIP3 OH259804 -0.574 1.955 4.304 1783TIP3 H159805 -0.536 1.912 4.225 1783TIP3 H259806 -0.543 2.046 4.292 1783TIP3 OH259807 1.256 1.590 3.375 1783TIP3 H159808 1.286 1.509 3.329 1783TIP3 H259809 1.338 1.641 3.381 1783TIP3 OH259810 -0.515 1.538 3.662 1783TIP3 H159811 -0.607 1.562 3.683 1783TIP3 H259812 -0.477 1.620 3.626 1783TIP3 OH259813 0.945 3.088 3.907 1783TIP3 H159814 0.987 3.062 3.823 1783TIP3 H259815 1.018 3.135 3.949 1783TIP3 OH259816 -0.356 2.986 4.259 1783TIP3 H159817 -0.321 2.999 4.350 1783TIP3 H259818 -0.271 2.971 4.213 1783TIP3 OH259819 -0.133 2.905 4.116 1783TIP3 H159820 -0.139 2.811 4.139 1783TIP3 H259821 -0.041 2.926 4.145 1783TIP3 OH259822 0.130 2.951 4.213 1783TIP3 H159823 0.168 2.867 4.184 1783TIP3 H259824 0.149 2.948 4.308 1783TIP3 OH259825 0.473 1.552 4.132 1783TIP3 H159826 0.410 1.481 4.156 1783TIP3 H259827 0.536 1.504 4.075 1784TIP3 OH259828 0.979 1.359 4.165 1784TIP3 H159829 1.043 1.395 4.102 1784TIP3 H259830 0.894 1.374 4.121 1784TIP3 OH259831 1.178 1.460 3.968 1784TIP3 H159832 1.247 1.414 3.918 1784TIP3 H259833 1.212 1.552 3.970 1784TIP3 OH259834 -0.297 1.417 3.874 1784TIP3 H159835 -0.391 1.401 3.850 1784TIP3 H259836 -0.261 1.327 3.877 1784TIP3 OH259837 -0.419 1.370 3.463 1784TIP3 H159838 -0.355 1.433 3.425 1784TIP3 H259839 -0.449 1.421 3.542 1784TIP3 OH259840 0.163 1.386 3.889 1784TIP3 H159841 0.250 1.426 3.873 1784TIP3 H259842 0.160 1.385 3.986 1784TIP3 OH259843 0.712 1.405 4.009 1784TIP3 H159844 0.744 1.383 3.921 1784TIP3 H259845 0.680 1.319 4.041 1784TIP3 OH259846 0.826 1.403 3.618 1784TIP3 H159847 0.743 1.452 3.601 1784TIP3 H259848 0.793 1.312 3.628 1784TIP3 OH259849 -0.393 2.960 3.595 1784TIP3 H159850 -0.454 2.949 3.521 1784TIP3 H259851 -0.392 3.056 3.603 1784TIP3 OH259852 -0.235 1.551 3.313 1784TIP3 H159853 -0.174 1.493 3.263 1784TIP3 H259854 -0.175 1.583 3.384 1784TIP3 OH259855 0.270 1.563 3.584 1784TIP3 H159856 0.309 1.509 3.655 1784TIP3 H259857 0.293 1.651 3.615 1785TIP3 OH259858 0.476 3.144 3.404 1785TIP3 H159859 0.573 3.145 3.401 1785TIP3 H259860 0.457 3.077 3.337 1785TIP3 OH259861 1.125 3.046 3.664 1785TIP3 H159862 1.103 2.961 3.621 1785TIP3 H259863 1.123 3.107 3.589 1785TIP3 OH259864 -0.249 3.055 3.273 1785TIP3 H159865 -0.269 3.083 3.363 1785TIP3 H259866 -0.170 2.998 3.286 1785TIP3 OH259867 2.479 2.291 3.935 1785TIP3 H159868 2.494 2.386 3.926 1785TIP3 H259869 2.424 2.272 3.858 1785TIP3 OH259870 2.368 2.199 4.253 1785TIP3 H159871 2.432 2.132 4.283 1785TIP3 H259872 2.388 2.202 4.158 1785TIP3 OH259873 2.743 2.505 4.038 1785TIP3 H159874 2.703 2.436 4.095 1785TIP3 H259875 2.777 2.563 4.109 1785TIP3 OH259876 1.702 2.648 4.253 1785TIP3 H159877 1.673 2.558 4.226 1785TIP3 H259878 1.798 2.634 4.247 1785TIP3 OH259879 1.392 2.002 3.783 1785TIP3 H159880 1.347 2.088 3.783 1785TIP3 H259881 1.326 1.947 3.738 1785TIP3 OH259882 1.473 2.238 3.980 1785TIP3 H159883 1.490 2.154 4.026 1785TIP3 H259884 1.548 2.244 3.921 1785TIP3 OH259885 2.448 3.044 4.112 1785TIP3 H159886 2.511 2.976 4.084 1785TIP3 H259887 2.421 3.014 4.201 1786TIP3 OH259888 2.190 2.450 4.286 1786TIP3 H159889 2.231 2.398 4.216 1786TIP3 H259890 2.272 2.492 4.323 1786TIP3 OH259891 2.533 1.942 4.326 1786TIP3 H159892 2.569 1.855 4.351 1786TIP3 H259893 2.540 1.938 4.229 1786TIP3 OH259894 1.845 1.720 4.044 1786TIP3 H159895 1.875 1.799 3.996 1786TIP3 H259896 1.821 1.663 3.969 1786TIP3 OH259897 2.659 1.781 3.872 1786TIP3 H159898 2.688 1.706 3.928 1786TIP3 H259899 2.731 1.786 3.808 1786TIP3 OH259900 1.554 1.985 4.100 1786TIP3 H159901 1.591 1.912 4.152 1786TIP3 H259902 1.550 1.943 4.012 1786TIP3 OH259903 2.052 2.121 4.052 1786TIP3 H159904 2.130 2.065 4.066 1786TIP3 H259905 2.005 2.068 3.985 1786TIP3 OH259906 2.488 2.576 3.793 1786TIP3 H159907 2.455 2.550 3.706 1786TIP3 H259908 2.441 2.659 3.810 1786TIP3 OH259909 2.834 1.657 4.068 1786TIP3 H159910 2.795 1.589 4.124 1786TIP3 H259911 2.871 1.716 4.136 1786TIP3 OH259912 1.770 1.803 4.294 1786TIP3 H159913 1.751 1.896 4.276 1786TIP3 H259914 1.774 1.763 4.205 1786TIP3 OH259915 1.461 2.545 3.627 1786TIP3 H159916 1.442 2.594 3.545 1786TIP3 H259917 1.477 2.616 3.692 1787TIP3 OH259918 2.815 2.637 4.258 1787TIP3 H159919 2.752 2.626 4.333 1787TIP3 H259920 2.883 2.692 4.298 1787TIP3 OH259921 2.159 1.370 4.199 1787TIP3 H159922 2.169 1.276 4.180 1787TIP3 H259923 2.066 1.380 4.223 1787TIP3 OH259924 2.637 2.884 3.967 1787TIP3 H159925 2.683 2.804 3.935 1787TIP3 H259926 2.703 2.953 3.945 1787TIP3 OH259927 2.783 2.670 3.818 1787TIP3 H159928 2.727 2.620 3.756 1787TIP3 H259929 2.779 2.609 3.895 1787TIP3 OH259930 2.362 2.250 3.643 1787TIP3 H159931 2.294 2.300 3.595 1787TIP3 H259932 2.433 2.244 3.577 1787TIP3 OH259933 2.389 2.063 3.349 1787TIP3 H159934 2.461 2.092 3.407 1787TIP3 H259935 2.436 2.001 3.291 1787TIP3 OH259936 2.712 2.244 3.750 1787TIP3 H159937 2.646 2.262 3.819 1787TIP3 H259938 2.772 2.183 3.797 1787TIP3 OH259939 1.869 2.320 3.929 1787TIP3 H159940 1.833 2.280 3.847 1787TIP3 H259941 1.933 2.253 3.957 1787TIP3 OH259942 1.969 2.626 4.163 1787TIP3 H159943 1.992 2.601 4.072 1787TIP3 H259944 2.056 2.639 4.204 1787TIP3 OH259945 1.975 2.185 4.314 1787TIP3 H159946 1.968 2.188 4.217 1787TIP3 H259947 1.922 2.264 4.339 1788TIP3 OH259948 2.606 2.190 3.494 1788TIP3 H159949 2.655 2.214 3.575 1788TIP3 H259950 2.656 2.242 3.426 1788TIP3 OH259951 2.356 2.848 3.852 1788TIP3 H159952 2.402 2.882 3.930 1788TIP3 H259953 2.306 2.925 3.822 1788TIP3 OH259954 2.951 1.359 3.447 1788TIP3 H159955 2.860 1.369 3.481 1788TIP3 H259956 2.984 1.450 3.453 1788TIP3 OH259957 1.759 2.199 3.686 1788TIP3 H159958 1.742 2.270 3.621 1788TIP3 H259959 1.704 2.128 3.652 1788TIP3 OH259960 3.099 2.784 3.292 1788TIP3 H159961 3.111 2.872 3.332 1788TIP3 H259962 3.182 2.738 3.315 1788TIP3 OH259963 1.384 2.736 4.241 1788TIP3 H159964 1.481 2.734 4.244 1788TIP3 H259965 1.364 2.819 4.285 1788TIP3 OH259966 2.311 3.120 3.701 1788TIP3 H159967 2.302 3.130 3.606 1788TIP3 H259968 2.310 3.211 3.733 1788TIP3 OH259969 1.689 3.033 3.862 1788TIP3 H159970 1.702 2.986 3.947 1788TIP3 H259971 1.605 2.993 3.832 1788TIP3 OH259972 2.638 3.053 3.409 1788TIP3 H159973 2.669 2.970 3.368 1788TIP3 H259974 2.629 3.026 3.503 1788TIP3 OH259975 2.579 3.010 3.693 1788TIP3 H159976 2.484 3.026 3.710 1788TIP3 H259977 2.594 2.937 3.754 1789TIP3 OH259978 1.904 1.451 4.294 1789TIP3 H159979 1.826 1.425 4.243 1789TIP3 H259980 1.892 1.546 4.304 1789TIP3 OH259981 2.764 2.302 3.296 1789TIP3 H159982 2.740 2.279 3.204 1789TIP3 H259983 2.860 2.316 3.286 1789TIP3 OH259984 2.326 1.673 3.345 1789TIP3 H159985 2.283 1.657 3.431 1789TIP3 H259986 2.286 1.603 3.291 1789TIP3 OH259987 1.892 1.957 3.883 1789TIP3 H159988 1.797 1.940 3.866 1789TIP3 H259989 1.930 1.929 3.796 1789TIP3 OH259990 2.456 2.017 3.771 1789TIP3 H159991 2.408 2.087 3.723 1789TIP3 H259992 2.519 1.986 3.704 1789TIP3 OH259993 2.525 1.954 4.044 1789TIP3 H159994 2.501 2.001 3.961 1789TIP3 H259995 2.554 1.870 4.001 1789TIP3 OH259996 1.971 1.720 3.236 1789TIP3 H159997 1.936 1.682 3.319 1789TIP3 H259998 1.891 1.730 3.182 1789TIP3 OH259999 1.318 1.709 3.945 1789TIP3 H160000 1.377 1.698 4.021 1789TIP3 H260001 1.365 1.666 3.872 1789TIP3 OH260002 1.475 1.749 3.515 1789TIP3 H160003 1.528 1.796 3.448 1789TIP3 H260004 1.403 1.813 3.530 1789TIP3 OH260005 2.161 1.729 4.008 1789TIP3 H160006 2.076 1.684 4.008 1789TIP3 H260007 2.219 1.660 4.045 1790TIP3 OH260008 1.623 1.834 3.854 1790TIP3 H160009 1.541 1.857 3.807 1790TIP3 H260010 1.653 1.754 3.807 1790TIP3 OH260011 1.985 1.870 3.626 1790TIP3 H160012 2.082 1.867 3.632 1790TIP3 H260013 1.968 1.924 3.547 1790TIP3 OH260014 2.581 1.606 4.256 1790TIP3 H160015 2.528 1.597 4.336 1790TIP3 H260016 2.526 1.563 4.188 1790TIP3 OH260017 1.831 1.993 3.399 1790TIP3 H160018 1.772 1.961 3.329 1790TIP3 H260019 1.913 2.009 3.348 1790TIP3 OH260020 2.260 1.933 4.207 1790TIP3 H160021 2.310 1.913 4.126 1790TIP3 H260022 2.275 1.850 4.256 1790TIP3 OH260023 1.801 1.605 3.788 1790TIP3 H160024 1.746 1.526 3.799 1790TIP3 H260025 1.881 1.569 3.748 1790TIP3 OH260026 2.172 2.455 3.581 1790TIP3 H160027 2.101 2.398 3.544 1790TIP3 H260028 2.161 2.444 3.677 1790TIP3 OH260029 2.596 1.734 3.355 1790TIP3 H160030 2.499 1.721 3.361 1790TIP3 H260031 2.614 1.798 3.426 1790TIP3 OH260032 2.663 1.913 3.561 1790TIP3 H160033 2.749 1.897 3.605 1790TIP3 H260034 2.677 2.000 3.519 1790TIP3 OH260035 1.680 2.364 4.172 1790TIP3 H160036 1.735 2.369 4.092 1790TIP3 H260037 1.704 2.279 4.209 1791TIP3 OH260038 2.420 2.585 3.476 1791TIP3 H160039 2.391 2.670 3.516 1791TIP3 H260040 2.346 2.526 3.501 1791TIP3 OH260041 3.124 1.910 3.536 1791TIP3 H160042 3.066 1.893 3.459 1791TIP3 H260043 3.136 2.006 3.525 1791TIP3 OH260044 2.956 2.784 3.553 1791TIP3 H160045 2.919 2.714 3.611 1791TIP3 H260046 2.997 2.732 3.483 1791TIP3 OH260047 2.648 2.325 4.238 1791TIP3 H160048 2.581 2.287 4.295 1791TIP3 H260049 2.691 2.246 4.199 1791TIP3 OH260050 1.931 2.714 3.877 1791TIP3 H160051 1.971 2.803 3.872 1791TIP3 H260052 1.838 2.733 3.862 1791TIP3 OH260053 1.530 2.195 3.352 1791TIP3 H160054 1.588 2.262 3.391 1791TIP3 H260055 1.442 2.223 3.383 1791TIP3 OH260056 2.114 2.486 3.874 1791TIP3 H160057 2.079 2.576 3.862 1791TIP3 H260058 2.034 2.436 3.894 1791TIP3 OH260059 1.975 3.006 3.813 1791TIP3 H160060 1.879 3.021 3.820 1791TIP3 H260061 2.010 3.094 3.839 1791TIP3 OH260062 2.694 2.627 3.341 1791TIP3 H160063 2.729 2.569 3.412 1791TIP3 H260064 2.600 2.607 3.352 1791TIP3 OH260065 3.123 3.075 3.394 1791TIP3 H160066 3.211 3.094 3.357 1791TIP3 H260067 3.113 3.158 3.442 1792TIP3 OH260068 2.787 2.481 3.573 1792TIP3 H160069 2.755 2.408 3.629 1792TIP3 H260070 2.883 2.475 3.586 1792TIP3 OH260071 2.116 2.722 3.198 1792TIP3 H160072 2.134 2.646 3.139 1792TIP3 H260073 2.068 2.677 3.270 1792TIP3 OH260074 1.994 2.673 3.467 1792TIP3 H160075 2.047 2.617 3.526 1792TIP3 H260076 2.011 2.763 3.500 1792TIP3 OH260077 1.682 2.416 3.506 1792TIP3 H160078 1.608 2.454 3.557 1792TIP3 H260079 1.728 2.496 3.475 1792TIP3 OH260080 2.499 1.593 3.617 1792TIP3 H160081 2.535 1.671 3.575 1792TIP3 H260082 2.503 1.613 3.713 1792TIP3 OH260083 2.296 2.842 3.529 1792TIP3 H160084 2.209 2.882 3.544 1792TIP3 H260085 2.321 2.876 3.442 1792TIP3 OH260086 2.245 1.812 3.732 1792TIP3 H160087 2.332 1.853 3.747 1792TIP3 H260088 2.228 1.775 3.821 1792TIP3 OH260089 2.016 2.942 3.529 1792TIP3 H160090 2.004 3.022 3.473 1792TIP3 H260091 1.998 2.977 3.618 1792TIP3 OH260092 1.886 1.609 3.475 1792TIP3 H160093 1.888 1.684 3.537 1792TIP3 H260094 1.966 1.560 3.503 1792TIP3 OH260095 2.757 2.087 4.142 1792TIP3 H160096 2.683 2.036 4.104 1792TIP3 H260097 2.816 2.013 4.172 1793TIP3 OH260098 1.724 2.697 3.379 1793TIP3 H160099 1.799 2.743 3.420 1793TIP3 H260100 1.771 2.646 3.312 1793TIP3 OH260101 1.537 1.914 3.296 1793TIP3 H160102 1.549 2.009 3.316 1793TIP3 H260103 1.452 1.914 3.249 1793TIP3 OH260104 2.890 3.068 4.315 1793TIP3 H160105 2.828 3.047 4.245 1793TIP3 H260106 2.975 3.032 4.286 1793TIP3 OH260107 1.621 1.417 4.173 1793TIP3 H160108 1.611 1.417 4.076 1793TIP3 H260109 1.596 1.326 4.196 1793TIP3 OH260110 1.520 2.767 3.800 1793TIP3 H160111 1.442 2.819 3.824 1793TIP3 H260112 1.557 2.820 3.727 1793TIP3 OH260113 2.336 2.888 3.247 1793TIP3 H160114 2.257 2.831 3.235 1793TIP3 H260115 2.403 2.829 3.207 1793TIP3 OH260116 2.819 2.881 3.267 1793TIP3 H160117 2.805 2.791 3.305 1793TIP3 H260118 2.872 2.861 3.188 1793TIP3 OH260119 1.877 2.468 3.228 1793TIP3 H160120 1.893 2.403 3.299 1793TIP3 H260121 1.960 2.459 3.177 1793TIP3 OH260122 2.408 2.601 3.191 1793TIP3 H160123 2.394 2.587 3.287 1793TIP3 H260124 2.397 2.508 3.160 1793TIP3 OH260125 1.990 2.270 3.466 1793TIP3 H160126 1.925 2.218 3.515 1793TIP3 H260127 2.017 2.206 3.398 1794TIP3 OH260128 2.081 2.076 3.287 1794TIP3 H160129 2.076 2.082 3.189 1794TIP3 H260130 2.177 2.070 3.301 1794TIP3 OH260131 3.030 2.327 3.218 1794TIP3 H160132 3.021 2.280 3.134 1794TIP3 H260133 3.024 2.420 3.189 1794TIP3 OH260134 2.057 3.198 3.398 1794TIP3 H160135 2.152 3.211 3.404 1794TIP3 H260136 2.039 3.239 3.312 1794TIP3 OH260137 1.448 2.636 3.351 1794TIP3 H160138 1.544 2.655 3.362 1794TIP3 H260139 1.450 2.558 3.292 1794TIP3 OH260140 1.352 3.154 3.821 1794TIP3 H160141 1.277 3.118 3.769 1794TIP3 H260142 1.359 3.088 3.893 1794TIP3 OH260143 1.388 2.956 4.019 1794TIP3 H160144 1.360 2.867 4.047 1794TIP3 H260145 1.413 2.992 4.106 1794TIP3 OH260146 3.165 3.099 4.273 1794TIP3 H160147 3.145 3.085 4.367 1794TIP3 H260148 3.262 3.097 4.276 1794TIP3 OH260149 3.073 2.463 3.613 1794TIP3 H160150 3.163 2.493 3.632 1794TIP3 H260151 3.061 2.398 3.685 1794TIP3 OH260152 3.119 2.258 3.812 1794TIP3 H160153 3.050 2.202 3.854 1794TIP3 H260154 3.186 2.267 3.884 1794TIP3 OH260155 3.087 2.490 4.327 1794TIP3 H160156 3.152 2.438 4.278 1794TIP3 H260157 3.095 2.578 4.289 1795TIP3 OH260158 3.145 2.203 3.468 1795TIP3 H160159 3.091 2.231 3.391 1795TIP3 H260160 3.130 2.277 3.529 1795TIP3 OH260161 2.971 1.959 3.294 1795TIP3 H160162 2.996 2.017 3.220 1795TIP3 H260163 2.945 1.877 3.249 1795TIP3 OH260164 2.909 2.071 3.893 1795TIP3 H160165 2.901 1.976 3.876 1795TIP3 H260166 2.871 2.079 3.982 1795TIP3 OH260167 1.394 2.253 4.261 1795TIP3 H160168 1.427 2.284 4.175 1795TIP3 H260169 1.473 2.258 4.318 1795TIP3 OH260170 2.918 1.692 3.213 1795TIP3 H160171 2.973 1.644 3.277 1795TIP3 H260172 2.835 1.642 3.212 1795TIP3 OH260173 2.901 1.821 3.707 1795TIP3 H160174 2.922 1.726 3.714 1795TIP3 H260175 2.983 1.854 3.666 1795TIP3 OH260176 2.920 1.892 4.221 1795TIP3 H160177 3.015 1.883 4.238 1795TIP3 H260178 2.881 1.863 4.305 1795TIP3 OH260179 2.944 1.540 3.710 1795TIP3 H160180 2.941 1.508 3.801 1795TIP3 H260181 2.864 1.495 3.674 1795TIP3 OH260182 1.467 1.672 4.194 1795TIP3 H160183 1.495 1.579 4.201 1795TIP3 H260184 1.531 1.712 4.255 1795TIP3 OH260185 1.313 1.958 4.304 1795TIP3 H160186 1.352 1.921 4.223 1795TIP3 H260187 1.339 2.052 4.297 1796TIP3 OH260188 3.141 1.591 3.374 1796TIP3 H160189 3.172 1.510 3.330 1796TIP3 H260190 3.223 1.642 3.383 1796TIP3 OH260191 1.365 1.566 3.696 1796TIP3 H160192 1.271 1.567 3.671 1796TIP3 H260193 1.407 1.623 3.629 1796TIP3 OH260194 2.828 3.091 3.908 1796TIP3 H160195 2.871 3.069 3.823 1796TIP3 H260196 2.900 3.135 3.954 1796TIP3 OH260197 1.531 2.990 4.263 1796TIP3 H160198 1.568 2.997 4.354 1796TIP3 H260199 1.615 2.974 4.214 1796TIP3 OH260200 1.753 2.906 4.116 1796TIP3 H160201 1.742 2.812 4.141 1796TIP3 H260202 1.844 2.924 4.147 1796TIP3 OH260203 2.018 2.953 4.213 1796TIP3 H160204 2.055 2.868 4.185 1796TIP3 H260205 2.033 2.950 4.308 1796TIP3 OH260206 2.816 1.374 4.145 1796TIP3 H160207 2.898 1.404 4.102 1796TIP3 H260208 2.749 1.385 4.075 1796TIP3 OH260209 3.069 1.453 3.979 1796TIP3 H160210 3.131 1.419 3.913 1796TIP3 H260211 3.086 1.549 3.978 1796TIP3 OH260212 1.594 1.416 3.889 1796TIP3 H160213 1.508 1.402 3.845 1796TIP3 H260214 1.637 1.329 3.874 1796TIP3 OH260215 1.477 1.364 3.477 1796TIP3 H160216 1.528 1.430 3.426 1796TIP3 H260217 1.436 1.419 3.545 1797TIP3 OH260218 2.054 1.410 3.893 1797TIP3 H160219 2.149 1.424 3.879 1797TIP3 H260220 2.055 1.377 3.983 1797TIP3 OH260221 2.711 1.407 3.606 1797TIP3 H160222 2.628 1.459 3.607 1797TIP3 H260223 2.679 1.323 3.643 1797TIP3 OH260224 1.495 2.960 3.594 1797TIP3 H160225 1.432 2.947 3.522 1797TIP3 H260226 1.492 3.056 3.602 1797TIP3 OH260227 1.649 1.547 3.322 1797TIP3 H160228 1.708 1.491 3.270 1797TIP3 H260229 1.709 1.579 3.391 1797TIP3 OH260230 2.153 1.564 3.589 1797TIP3 H160231 2.192 1.496 3.646 1797TIP3 H260232 2.186 1.646 3.630 1797TIP3 OH260233 2.365 3.152 3.392 1797TIP3 H160234 2.460 3.138 3.402 1797TIP3 H260235 2.340 3.076 3.337 1797TIP3 OH260236 2.996 3.060 3.667 1797TIP3 H160237 2.981 2.974 3.621 1797TIP3 H260238 2.999 3.122 3.593 1797TIP3 OH260239 1.639 3.056 3.273 1797TIP3 H160240 1.614 3.082 3.363 1797TIP3 H260241 1.714 2.997 3.287 1797TIP3 OH260242 4.267 2.212 4.209 1797TIP3 H160243 4.252 2.169 4.294 1797TIP3 H260244 4.220 2.154 4.147 1797TIP3 OH260245 3.583 2.650 4.246 1797TIP3 H160246 3.558 2.558 4.224 1797TIP3 H260247 3.680 2.636 4.254 1798TIP3 OH260248 3.281 2.001 3.776 1798TIP3 H160249 3.236 2.087 3.787 1798TIP3 H260250 3.210 1.945 3.744 1798TIP3 OH260251 3.355 2.235 3.974 1798TIP3 H160252 3.376 2.157 4.029 1798TIP3 H260253 3.438 2.247 3.927 1798TIP3 OH260254 4.063 2.428 4.283 1798TIP3 H160255 4.116 2.385 4.214 1798TIP3 H260256 4.136 2.477 4.327 1798TIP3 OH260257 3.741 1.716 4.041 1798TIP3 H160258 3.753 1.803 3.998 1798TIP3 H260259 3.705 1.666 3.965 1798TIP3 OH260260 3.436 1.986 4.099 1798TIP3 H160261 3.476 1.919 4.156 1798TIP3 H260262 3.433 1.939 4.014 1798TIP3 OH260263 3.944 2.124 4.053 1798TIP3 H160264 4.015 2.063 4.081 1798TIP3 H260265 3.894 2.066 3.993 1798TIP3 OH260266 3.664 1.809 4.300 1798TIP3 H160267 3.646 1.901 4.280 1798TIP3 H260268 3.656 1.765 4.214 1798TIP3 OH260269 3.348 2.545 3.626 1798TIP3 H160270 3.325 2.596 3.547 1798TIP3 H260271 3.364 2.614 3.694 1798TIP3 OH260272 4.035 1.354 4.176 1798TIP3 H160273 4.025 1.257 4.182 1798TIP3 H260274 3.954 1.385 4.220 1798TIP3 OH260275 4.266 2.230 3.631 1798TIP3 H160276 4.198 2.298 3.617 1798TIP3 H260277 4.330 2.254 3.564 1799TIP3 OH260278 4.291 2.078 3.351 1799TIP3 H160279 4.366 2.072 3.411 1799TIP3 H260280 4.295 1.997 3.299 1799TIP3 OH260281 3.758 2.321 3.927 1799TIP3 H160282 3.724 2.277 3.847 1799TIP3 H260283 3.820 2.254 3.962 1799TIP3 OH260284 3.855 2.632 4.155 1799TIP3 H160285 3.893 2.592 4.075 1799TIP3 H260286 3.932 2.643 4.213 1799TIP3 OH260287 3.790 2.185 4.281 1799TIP3 H160288 3.849 2.196 4.204 1799TIP3 H260289 3.815 2.259 4.339 1799TIP3 OH260290 4.249 2.842 3.846 1799TIP3 H160291 4.300 2.887 3.917 1799TIP3 H260292 4.200 2.916 3.808 1799TIP3 OH260293 3.651 2.193 3.680 1799TIP3 H160294 3.629 2.269 3.623 1799TIP3 H260295 3.584 2.129 3.654 1799TIP3 OH260296 3.270 2.739 4.232 1799TIP3 H160297 3.365 2.731 4.245 1799TIP3 H260298 3.249 2.815 4.288 1799TIP3 OH260299 4.166 3.128 3.684 1799TIP3 H160300 4.217 3.124 3.602 1799TIP3 H260301 4.206 3.202 3.732 1799TIP3 OH260302 3.573 3.031 3.863 1799TIP3 H160303 3.592 2.987 3.949 1799TIP3 H260304 3.488 2.991 3.840 1799TIP3 OH260305 3.790 1.444 4.290 1799TIP3 H160306 3.706 1.434 4.243 1799TIP3 H260307 3.794 1.540 4.308 1800TIP3 OH260308 4.233 1.678 3.349 1800TIP3 H160309 4.173 1.664 3.423 1800TIP3 H260310 4.201 1.611 3.287 1800TIP3 OH260311 3.777 1.952 3.884 1800TIP3 H160312 3.681 1.942 3.869 1800TIP3 H260313 3.810 1.929 3.795 1800TIP3 OH260314 4.279 1.999 3.833 1800TIP3 H160315 4.271 2.093 3.811 1800TIP3 H260316 4.371 1.992 3.864 1800TIP3 OH260317 3.865 1.717 3.235 1800TIP3 H160318 3.823 1.684 3.317 1800TIP3 H260319 3.787 1.736 3.180 1800TIP3 OH260320 3.210 1.719 3.939 1800TIP3 H160321 3.257 1.699 4.022 1800TIP3 H260322 3.251 1.661 3.873 1800TIP3 OH260323 3.360 1.747 3.512 1800TIP3 H160324 3.413 1.797 3.447 1800TIP3 H260325 3.290 1.812 3.532 1800TIP3 OH260326 4.045 1.696 3.986 1800TIP3 H160327 3.950 1.697 4.009 1800TIP3 H260328 4.085 1.698 4.073 1800TIP3 OH260329 3.511 1.834 3.852 1800TIP3 H160330 3.426 1.859 3.812 1800TIP3 H260331 3.535 1.753 3.803 1800TIP3 OH260332 3.874 1.860 3.618 1800TIP3 H160333 3.969 1.880 3.624 1800TIP3 H260334 3.843 1.922 3.549 1800TIP3 OH260335 3.723 1.988 3.398 1800TIP3 H160336 3.661 1.963 3.328 1800TIP3 H260337 3.803 2.004 3.346 1801TIP3 OH260338 4.131 1.944 4.152 1801TIP3 H160339 4.198 1.901 4.097 1801TIP3 H260340 4.150 1.906 4.240 1801TIP3 OH260341 3.685 1.604 3.784 1801TIP3 H160342 3.626 1.528 3.800 1801TIP3 H260343 3.763 1.561 3.747 1801TIP3 OH260344 4.069 2.437 3.585 1801TIP3 H160345 3.993 2.387 3.549 1801TIP3 H260346 4.047 2.444 3.681 1801TIP3 OH260347 3.563 2.355 4.173 1801TIP3 H160348 3.625 2.369 4.099 1801TIP3 H260349 3.609 2.285 4.223 1801TIP3 OH260350 4.287 2.574 3.483 1801TIP3 H160351 4.262 2.664 3.513 1801TIP3 H260352 4.210 2.523 3.515 1801TIP3 OH260353 3.816 2.713 3.865 1801TIP3 H160354 3.858 2.799 3.876 1801TIP3 H260355 3.722 2.736 3.867 1801TIP3 OH260356 3.415 2.195 3.350 1801TIP3 H160357 3.473 2.262 3.391 1801TIP3 H260358 3.328 2.220 3.386 1801TIP3 OH260359 3.994 2.482 3.857 1801TIP3 H160360 3.965 2.575 3.860 1801TIP3 H260361 3.916 2.436 3.891 1801TIP3 OH260362 3.860 3.008 3.792 1801TIP3 H160363 3.766 3.018 3.815 1801TIP3 H260364 3.899 3.088 3.832 1801TIP3 OH260365 3.993 2.733 3.203 1801TIP3 H160366 4.023 2.671 3.133 1801TIP3 H260367 3.960 2.671 3.269 1802TIP3 OH260368 3.876 2.677 3.484 1802TIP3 H160369 3.930 2.618 3.537 1802TIP3 H260370 3.911 2.764 3.507 1802TIP3 OH260371 3.565 2.414 3.504 1802TIP3 H160372 3.494 2.455 3.559 1802TIP3 H260373 3.615 2.493 3.477 1802TIP3 OH260374 4.170 2.832 3.521 1802TIP3 H160375 4.101 2.894 3.545 1802TIP3 H260376 4.212 2.874 3.445 1802TIP3 OH260377 4.141 1.795 3.726 1802TIP3 H160378 4.202 1.865 3.758 1802TIP3 H260379 4.101 1.772 3.812 1802TIP3 OH260380 4.191 1.505 3.844 1802TIP3 H160381 4.165 1.582 3.898 1802TIP3 H260382 4.271 1.538 3.799 1802TIP3 OH260383 3.890 2.989 3.513 1802TIP3 H160384 3.965 3.048 3.507 1802TIP3 H260385 3.874 2.989 3.610 1802TIP3 OH260386 3.769 1.610 3.472 1802TIP3 H160387 3.768 1.685 3.534 1802TIP3 H260388 3.849 1.562 3.498 1802TIP3 OH260389 3.611 2.701 3.378 1802TIP3 H160390 3.689 2.736 3.426 1802TIP3 H260391 3.657 2.647 3.312 1802TIP3 OH260392 3.424 1.915 3.293 1802TIP3 H160393 3.435 2.010 3.316 1802TIP3 H260394 3.336 1.914 3.253 1802TIP3 OH260395 3.516 1.413 4.170 1802TIP3 H160396 3.498 1.419 4.074 1802TIP3 H260397 3.473 1.330 4.195 1803TIP3 OH260398 3.401 2.765 3.795 1803TIP3 H160399 3.328 2.822 3.825 1803TIP3 H260400 3.444 2.821 3.728 1803TIP3 OH260401 4.228 2.887 3.242 1803TIP3 H160402 4.147 2.834 3.226 1803TIP3 H260403 4.293 2.821 3.214 1803TIP3 OH260404 3.757 2.471 3.234 1803TIP3 H160405 3.778 2.405 3.301 1803TIP3 H260406 3.838 2.465 3.178 1803TIP3 OH260407 4.261 2.600 3.188 1803TIP3 H160408 4.276 2.601 3.284 1803TIP3 H260409 4.242 2.506 3.172 1803TIP3 OH260410 3.872 2.269 3.462 1803TIP3 H160411 3.808 2.218 3.515 1803TIP3 H260412 3.901 2.202 3.398 1803TIP3 OH260413 3.979 2.070 3.288 1803TIP3 H160414 3.969 2.079 3.191 1803TIP3 H260415 4.074 2.088 3.299 1803TIP3 OH260416 3.333 2.641 3.345 1803TIP3 H160417 3.428 2.654 3.363 1803TIP3 H260418 3.334 2.557 3.293 1803TIP3 OH260419 3.238 3.144 3.810 1803TIP3 H160420 3.151 3.118 3.775 1803TIP3 H260421 3.244 3.087 3.889 1803TIP3 OH260422 3.274 2.955 4.018 1803TIP3 H160423 3.248 2.867 4.049 1803TIP3 H260424 3.301 2.992 4.104 1803TIP3 OH260425 3.280 2.257 4.262 1803TIP3 H160426 3.316 2.286 4.177 1803TIP3 H260427 3.359 2.256 4.319 1804TIP3 OH260428 3.355 1.674 4.193 1804TIP3 H160429 3.381 1.582 4.204 1804TIP3 H260430 3.412 1.717 4.258 1804TIP3 OH260431 3.197 1.959 4.304 1804TIP3 H160432 3.235 1.922 4.223 1804TIP3 H260433 3.223 2.053 4.297 1804TIP3 OH260434 3.251 1.561 3.694 1804TIP3 H160435 3.156 1.565 3.674 1804TIP3 H260436 3.290 1.623 3.628 1804TIP3 OH260437 3.418 2.994 4.261 1804TIP3 H160438 3.451 2.998 4.353 1804TIP3 H260439 3.502 2.974 4.215 1804TIP3 OH260440 3.640 2.904 4.112 1804TIP3 H160441 3.627 2.812 4.142 1804TIP3 H260442 3.729 2.923 4.148 1804TIP3 OH260443 3.900 2.950 4.213 1804TIP3 H160444 3.942 2.867 4.188 1804TIP3 H260445 3.921 2.954 4.307 1804TIP3 OH260446 4.268 1.521 4.133 1804TIP3 H160447 4.190 1.468 4.158 1804TIP3 H260448 4.298 1.476 4.054 1804TIP3 OH260449 3.482 1.417 3.886 1804TIP3 H160450 3.395 1.403 3.844 1804TIP3 H260451 3.522 1.329 3.873 1804TIP3 OH260452 3.364 1.364 3.477 1804TIP3 H160453 3.411 1.432 3.426 1804TIP3 H260454 3.320 1.417 3.546 1804TIP3 OH260455 3.935 1.393 3.885 1804TIP3 H160456 4.026 1.427 3.874 1804TIP3 H260457 3.931 1.385 3.981 1805TIP3 OH260458 3.381 2.960 3.583 1805TIP3 H160459 3.310 2.947 3.519 1805TIP3 H260460 3.371 3.054 3.605 1805TIP3 OH260461 3.533 1.548 3.319 1805TIP3 H160462 3.594 1.491 3.269 1805TIP3 H260463 3.591 1.581 3.389 1805TIP3 OH260464 4.068 1.566 3.577 1805TIP3 H160465 4.068 1.506 3.653 1805TIP3 H260466 4.058 1.652 3.620 1805TIP3 OH260467 4.232 3.138 3.391 1805TIP3 H160468 4.323 3.173 3.391 1805TIP3 H260469 4.237 3.068 3.324 1805TIP3 OH260470 3.530 3.062 3.276 1805TIP3 H160471 3.501 3.077 3.367 1805TIP3 H260472 3.590 2.987 3.286 1805TIP3 OH260473 -3.162 4.193 3.895 1805TIP3 H160474 -3.180 4.286 3.914 1805TIP3 H260475 -3.239 4.168 3.842 1805TIP3 OH260476 -3.301 4.120 4.252 1805TIP3 H160477 -3.277 4.045 4.308 1805TIP3 H260478 -3.286 4.086 4.163 1805TIP3 OH260479 -4.216 3.905 3.664 1805TIP3 H160480 -4.245 3.990 3.699 1805TIP3 H260481 -4.300 3.858 3.656 1805TIP3 OH260482 -4.194 4.118 3.958 1805TIP3 H160483 -4.185 4.046 4.023 1805TIP3 H260484 -4.102 4.129 3.932 1805TIP3 OH260485 -3.119 3.817 4.323 1805TIP3 H160486 -3.075 3.732 4.342 1805TIP3 H260487 -3.111 3.823 4.226 1806TIP3 OH260488 -3.800 3.601 4.038 1806TIP3 H160489 -3.788 3.688 3.997 1806TIP3 H260490 -3.840 3.550 3.965 1806TIP3 OH260491 -3.017 3.623 3.865 1806TIP3 H160492 -2.965 3.583 3.938 1806TIP3 H260493 -2.947 3.668 3.817 1806TIP3 OH260494 -4.121 3.872 4.096 1806TIP3 H160495 -4.082 3.822 4.168 1806TIP3 H260496 -4.105 3.813 4.020 1806TIP3 OH260497 -3.601 4.013 4.058 1806TIP3 H160498 -3.528 3.954 4.086 1806TIP3 H260499 -3.650 3.955 3.997 1806TIP3 OH260500 -2.843 3.565 4.067 1806TIP3 H160501 -2.844 3.475 4.107 1806TIP3 H260502 -2.791 3.612 4.135 1806TIP3 OH260503 -3.863 3.711 4.296 1806TIP3 H160504 -3.909 3.793 4.278 1806TIP3 H260505 -3.893 3.651 4.226 1806TIP3 OH260506 -3.508 3.240 4.178 1806TIP3 H160507 -3.517 3.144 4.183 1806TIP3 H260508 -3.592 3.269 4.220 1806TIP3 OH260509 -3.309 4.144 3.636 1806TIP3 H160510 -3.372 4.180 3.573 1806TIP3 H260511 -3.230 4.133 3.580 1806TIP3 OH260512 -3.267 3.943 3.353 1806TIP3 H160513 -3.195 3.978 3.408 1806TIP3 H260514 -3.217 3.892 3.288 1806TIP3 OH260515 -2.937 4.141 3.738 1806TIP3 H160516 -3.003 4.162 3.807 1806TIP3 H260517 -2.871 4.090 3.789 1807TIP3 OH260518 -3.794 4.211 3.934 1807TIP3 H160519 -3.807 4.182 3.842 1807TIP3 H260520 -3.712 4.163 3.958 1807TIP3 OH260521 -3.766 4.104 4.281 1807TIP3 H160522 -3.697 4.080 4.217 1807TIP3 H260523 -3.715 4.136 4.357 1807TIP3 OH260524 -3.055 4.073 3.501 1807TIP3 H160525 -2.999 4.101 3.578 1807TIP3 H260526 -3.008 4.119 3.427 1807TIP3 OH260527 -2.706 3.246 3.443 1807TIP3 H160528 -2.793 3.256 3.486 1807TIP3 H260529 -2.670 3.336 3.450 1807TIP3 OH260530 -3.899 4.089 3.682 1807TIP3 H160531 -3.914 4.165 3.622 1807TIP3 H260532 -3.959 4.022 3.647 1807TIP3 OH260533 -3.747 3.330 4.284 1807TIP3 H160534 -3.834 3.308 4.246 1807TIP3 H260535 -3.764 3.421 4.315 1807TIP3 OH260536 -2.916 4.176 3.295 1807TIP3 H160537 -2.921 4.159 3.200 1807TIP3 H260538 -2.828 4.216 3.303 1807TIP3 OH260539 -3.329 3.557 3.345 1807TIP3 H160540 -3.378 3.546 3.427 1807TIP3 H260541 -3.371 3.489 3.289 1807TIP3 OH260542 -3.768 3.836 3.882 1807TIP3 H160543 -3.863 3.830 3.865 1807TIP3 H260544 -3.732 3.815 3.794 1807TIP3 OH260545 -3.207 3.898 3.764 1807TIP3 H160546 -3.251 3.975 3.725 1807TIP3 H260547 -3.139 3.878 3.697 1808TIP3 OH260548 -3.128 3.832 4.042 1808TIP3 H160549 -3.154 3.886 3.965 1808TIP3 H260550 -3.105 3.749 3.997 1808TIP3 OH260551 -3.685 3.598 3.236 1808TIP3 H160552 -3.723 3.565 3.319 1808TIP3 H260553 -3.764 3.621 3.185 1808TIP3 OH260554 -4.318 3.604 3.930 1808TIP3 H160555 -4.307 3.590 4.026 1808TIP3 H260556 -4.267 3.532 3.895 1808TIP3 OH260557 -4.212 3.642 3.519 1808TIP3 H160558 -4.148 3.674 3.452 1808TIP3 H260559 -4.283 3.705 3.505 1808TIP3 OH260560 -3.500 3.599 3.984 1808TIP3 H160561 -3.592 3.588 4.012 1808TIP3 H260562 -3.452 3.572 4.064 1808TIP3 OH260563 -4.040 3.721 3.847 1808TIP3 H160564 -4.114 3.736 3.786 1808TIP3 H260565 -4.003 3.638 3.814 1808TIP3 OH260566 -3.671 3.748 3.619 1808TIP3 H160567 -3.575 3.757 3.627 1808TIP3 H260568 -3.695 3.810 3.549 1808TIP3 OH260569 -3.057 3.460 4.282 1808TIP3 H160570 -3.093 3.495 4.365 1808TIP3 H260571 -3.131 3.468 4.220 1808TIP3 OH260572 -3.825 3.878 3.399 1808TIP3 H160573 -3.882 3.846 3.327 1808TIP3 H260574 -3.743 3.896 3.350 1808TIP3 OH260575 -3.404 3.833 4.189 1808TIP3 H160576 -3.328 3.803 4.135 1808TIP3 H260577 -3.399 3.772 4.264 1809TIP3 OH260578 -3.875 3.487 3.789 1809TIP3 H160579 -3.915 3.400 3.801 1809TIP3 H260580 -3.790 3.464 3.747 1809TIP3 OH260581 -3.523 4.366 3.605 1809TIP3 H160582 -3.560 4.298 3.545 1809TIP3 H260583 -3.469 4.317 3.668 1809TIP3 OH260584 -3.060 3.619 3.354 1809TIP3 H160585 -3.159 3.614 3.355 1809TIP3 H260586 -3.042 3.688 3.422 1809TIP3 OH260587 -2.993 3.796 3.563 1809TIP3 H160588 -2.907 3.781 3.606 1809TIP3 H260589 -2.982 3.885 3.526 1809TIP3 OH260590 -3.968 4.213 4.148 1809TIP3 H160591 -3.899 4.231 4.080 1809TIP3 H260592 -3.911 4.162 4.210 1809TIP3 OH260593 -2.534 3.796 3.537 1809TIP3 H160594 -2.591 3.779 3.459 1809TIP3 H260595 -2.522 3.892 3.526 1809TIP3 OH260596 -3.022 4.216 4.221 1809TIP3 H160597 -3.095 4.185 4.277 1809TIP3 H260598 -2.970 4.136 4.202 1809TIP3 OH260599 -4.166 4.093 3.371 1809TIP3 H160600 -4.088 4.143 3.399 1809TIP3 H260601 -4.232 4.165 3.371 1809TIP3 OH260602 -3.958 -4.391 3.525 1809TIP3 H160603 -4.051 -4.359 3.528 1809TIP3 H260604 -3.911 -4.310 3.501 1809TIP3 OH260605 -3.143 3.491 3.632 1809TIP3 H160606 -3.127 3.549 3.556 1809TIP3 H260607 -3.101 3.542 3.704 1810TIP3 OH260608 -3.405 3.694 3.727 1810TIP3 H160609 -3.328 3.751 3.745 1810TIP3 H260610 -3.436 3.672 3.817 1810TIP3 OH260611 -3.351 3.393 3.816 1810TIP3 H160612 -3.362 3.453 3.893 1810TIP3 H260613 -3.273 3.432 3.773 1810TIP3 OH260614 -3.774 3.496 3.479 1810TIP3 H160615 -3.767 3.575 3.535 1810TIP3 H260616 -3.693 3.448 3.505 1810TIP3 OH260617 -2.895 3.970 4.134 1810TIP3 H160618 -2.974 3.920 4.107 1810TIP3 H260619 -2.837 3.898 4.170 1810TIP3 OH260620 -4.117 3.797 3.298 1810TIP3 H160621 -4.105 3.891 3.319 1810TIP3 H260622 -4.199 3.794 3.247 1810TIP3 OH260623 -4.013 3.269 4.161 1810TIP3 H160624 -4.063 3.297 4.083 1810TIP3 H260625 -4.080 3.227 4.217 1810TIP3 OH260626 -3.659 4.161 3.459 1810TIP3 H160627 -3.727 4.120 3.514 1810TIP3 H260628 -3.646 4.093 3.390 1810TIP3 OH260629 -3.578 3.956 3.283 1810TIP3 H160630 -3.581 3.972 3.187 1810TIP3 H260631 -3.483 3.956 3.300 1810TIP3 OH260632 -2.648 4.189 3.206 1810TIP3 H160633 -2.658 4.185 3.109 1810TIP3 H260634 -2.646 4.285 3.225 1810TIP3 OH260635 -2.569 4.358 3.642 1810TIP3 H160636 -2.473 4.362 3.633 1810TIP3 H260637 -2.584 4.279 3.695 1811TIP3 OH260638 -2.528 4.132 3.812 1811TIP3 H160639 -2.608 4.091 3.851 1811TIP3 H260640 -2.473 4.151 3.890 1811TIP3 OH260641 -2.512 4.094 3.461 1811TIP3 H160642 -2.576 4.117 3.391 1811TIP3 H260643 -2.526 4.166 3.524 1811TIP3 OH260644 -2.686 3.843 3.295 1811TIP3 H160645 -2.666 3.907 3.226 1811TIP3 H260646 -2.709 3.762 3.245 1811TIP3 OH260647 -2.759 3.966 3.885 1811TIP3 H160648 -2.760 3.869 3.874 1811TIP3 H260649 -2.791 3.976 3.977 1811TIP3 OH260650 -4.235 4.171 4.280 1811TIP3 H160651 -4.220 4.188 4.186 1811TIP3 H260652 -4.146 4.152 4.311 1811TIP3 OH260653 -2.739 3.577 3.212 1811TIP3 H160654 -2.682 3.530 3.276 1811TIP3 H260655 -2.821 3.525 3.213 1811TIP3 OH260656 -2.759 3.707 3.709 1811TIP3 H160657 -2.735 3.612 3.717 1811TIP3 H260658 -2.677 3.742 3.669 1811TIP3 OH260659 -2.734 3.778 4.222 1811TIP3 H160660 -2.639 3.772 4.240 1811TIP3 H260661 -2.773 3.748 4.306 1811TIP3 OH260662 -2.711 3.426 3.706 1811TIP3 H160663 -2.703 3.396 3.799 1811TIP3 H260664 -2.792 3.379 3.678 1811TIP3 OH260665 -4.166 3.573 4.193 1811TIP3 H160666 -4.187 3.484 4.222 1811TIP3 H260667 -4.111 3.601 4.267 1812TIP3 OH260668 -4.352 3.825 4.315 1812TIP3 H160669 -4.306 3.783 4.241 1812TIP3 H260670 -4.308 3.911 4.321 1812TIP3 OH260671 -2.516 3.476 3.373 1812TIP3 H160672 -2.484 3.395 3.329 1812TIP3 H260673 -2.435 3.528 3.383 1812TIP3 OH260674 -4.312 3.425 3.643 1812TIP3 H160675 -4.397 3.468 3.629 1812TIP3 H260676 -4.252 3.497 3.611 1812TIP3 OH260677 -3.301 3.439 4.124 1812TIP3 H160678 -3.360 3.367 4.153 1812TIP3 H260679 -3.231 3.389 4.077 1812TIP3 OH260680 -2.806 3.313 4.147 1812TIP3 H160681 -2.722 3.268 4.130 1812TIP3 H260682 -2.874 3.249 4.125 1812TIP3 OH260683 -2.587 3.341 3.956 1812TIP3 H160684 -2.512 3.306 3.905 1812TIP3 H260685 -2.561 3.433 3.974 1812TIP3 OH260686 -4.112 3.291 3.881 1812TIP3 H160687 -4.180 3.249 3.827 1812TIP3 H260688 -4.043 3.222 3.883 1812TIP3 OH260689 -4.198 3.246 3.463 1812TIP3 H160690 -4.139 3.308 3.415 1812TIP3 H260691 -4.237 3.307 3.529 1812TIP3 OH260692 -3.612 3.276 3.890 1812TIP3 H160693 -3.523 3.313 3.874 1812TIP3 H260694 -3.612 3.270 3.987 1812TIP3 OH260695 -3.081 3.293 3.998 1812TIP3 H160696 -3.030 3.267 3.921 1812TIP3 H260697 -3.099 3.208 4.041 1813TIP3 OH260698 -2.944 3.287 3.614 1813TIP3 H160699 -3.025 3.341 3.605 1813TIP3 H260700 -2.981 3.199 3.631 1813TIP3 OH260701 -4.007 3.432 3.324 1813TIP3 H160702 -3.946 3.379 3.270 1813TIP3 H260703 -3.946 3.466 3.392 1813TIP3 OH260704 -3.500 3.450 3.583 1813TIP3 H160705 -3.463 3.395 3.654 1813TIP3 H260706 -3.480 3.538 3.619 1813TIP3 OH260707 -1.421 4.115 4.244 1813TIP3 H160708 -1.385 4.048 4.303 1813TIP3 H260709 -1.397 4.083 4.156 1813TIP3 OH260710 -2.375 3.888 3.776 1813TIP3 H160711 -2.421 3.973 3.787 1813TIP3 H260712 -2.447 3.831 3.744 1813TIP3 OH260713 -2.287 4.129 3.973 1813TIP3 H160714 -2.283 4.054 4.036 1813TIP3 H260715 -2.205 4.113 3.924 1813TIP3 OH260716 -1.252 3.812 4.299 1813TIP3 H160717 -1.196 3.738 4.327 1813TIP3 H260718 -1.221 3.831 4.208 1813TIP3 OH260719 -1.881 3.596 4.036 1813TIP3 H160720 -1.866 3.685 3.999 1813TIP3 H260721 -1.927 3.552 3.962 1813TIP3 OH260722 -1.130 3.593 3.851 1813TIP3 H160723 -1.082 3.579 3.934 1813TIP3 H260724 -1.113 3.687 3.836 1813TIP3 OH260725 -2.224 3.870 4.101 1813TIP3 H160726 -2.182 3.809 4.162 1813TIP3 H260727 -2.221 3.820 4.017 1814TIP3 OH260728 -1.717 4.012 4.063 1814TIP3 H160729 -1.638 3.958 4.081 1814TIP3 H260730 -1.763 3.958 3.998 1814TIP3 OH260731 -0.958 3.551 4.073 1814TIP3 H160732 -0.957 3.471 4.129 1814TIP3 H260733 -0.905 3.611 4.129 1814TIP3 OH260734 -2.001 3.687 4.282 1814TIP3 H160735 -2.001 3.783 4.268 1814TIP3 H260736 -1.992 3.651 4.192 1814TIP3 OH260737 -1.623 3.254 4.147 1814TIP3 H160738 -1.604 3.162 4.173 1814TIP3 H260739 -1.695 3.276 4.210 1814TIP3 OH260740 -1.445 4.095 3.596 1814TIP3 H160741 -1.482 4.186 3.597 1814TIP3 H260742 -1.352 4.111 3.615 1814TIP3 OH260743 -1.371 3.944 3.328 1814TIP3 H160744 -1.342 3.982 3.414 1814TIP3 H260745 -1.288 3.910 3.297 1814TIP3 OH260746 -1.060 4.156 3.740 1814TIP3 H160747 -1.123 4.172 3.812 1814TIP3 H260748 -0.994 4.102 3.787 1814TIP3 OH260749 -1.914 4.207 3.936 1814TIP3 H160750 -1.922 4.180 3.843 1814TIP3 H260751 -1.827 4.172 3.959 1814TIP3 OH260752 -1.878 4.085 4.286 1814TIP3 H160753 -1.811 4.081 4.214 1814TIP3 H260754 -1.837 4.145 4.350 1814TIP3 OH260755 -1.150 4.050 3.503 1814TIP3 H160756 -1.110 4.088 3.585 1814TIP3 H260757 -1.109 4.108 3.434 1815TIP3 OH260758 -0.822 3.248 3.443 1815TIP3 H160759 -0.906 3.258 3.490 1815TIP3 H260760 -0.784 3.337 3.450 1815TIP3 OH260761 -2.009 4.088 3.678 1815TIP3 H160762 -2.026 4.167 3.623 1815TIP3 H260763 -2.076 4.026 3.648 1815TIP3 OH260764 -1.860 3.330 4.286 1815TIP3 H160765 -1.947 3.319 4.245 1815TIP3 H260766 -1.858 3.424 4.310 1815TIP3 OH260767 -1.035 4.182 3.293 1815TIP3 H160768 -1.027 4.152 3.201 1815TIP3 H260769 -0.947 4.221 3.309 1815TIP3 OH260770 -1.428 3.556 3.333 1815TIP3 H160771 -1.463 3.557 3.423 1815TIP3 H260772 -1.478 3.481 3.294 1815TIP3 OH260773 -1.879 3.836 3.883 1815TIP3 H160774 -1.975 3.827 3.870 1815TIP3 H260775 -1.847 3.820 3.793 1815TIP3 OH260776 -1.787 3.600 3.234 1815TIP3 H160777 -1.829 3.569 3.316 1815TIP3 H260778 -1.863 3.623 3.179 1815TIP3 OH260779 -2.451 3.599 3.941 1815TIP3 H160780 -2.398 3.589 4.022 1815TIP3 H260781 -2.401 3.549 3.875 1815TIP3 OH260782 -2.298 3.633 3.513 1815TIP3 H160783 -2.244 3.682 3.448 1815TIP3 H260784 -2.367 3.698 3.532 1815TIP3 OH260785 -2.147 3.716 3.856 1815TIP3 H160786 -2.229 3.745 3.813 1815TIP3 H260787 -2.121 3.637 3.806 1816TIP3 OH260788 -1.772 3.745 3.617 1816TIP3 H160789 -1.680 3.773 3.629 1816TIP3 H260790 -1.806 3.809 3.551 1816TIP3 OH260791 -1.218 3.436 4.277 1816TIP3 H160792 -1.220 3.497 4.352 1816TIP3 H260793 -1.234 3.492 4.201 1816TIP3 OH260794 -1.939 3.868 3.400 1816TIP3 H160795 -1.995 3.845 3.324 1816TIP3 H260796 -1.857 3.896 3.355 1816TIP3 OH260797 -1.522 3.810 4.162 1816TIP3 H160798 -1.436 3.819 4.115 1816TIP3 H260799 -1.494 3.778 4.249 1816TIP3 OH260800 -1.965 3.484 3.789 1816TIP3 H160801 -2.033 3.413 3.797 1816TIP3 H260802 -1.913 3.455 3.714 1816TIP3 OH260803 -1.587 4.327 3.593 1816TIP3 H160804 -1.662 4.292 3.541 1816TIP3 H260805 -1.625 4.338 3.681 1816TIP3 OH260806 -1.130 3.761 3.514 1816TIP3 H160807 -1.057 3.747 3.577 1816TIP3 H260808 -1.136 3.858 3.515 1816TIP3 OH260809 -2.065 4.236 4.163 1816TIP3 H160810 -2.003 4.238 4.087 1816TIP3 H260811 -2.025 4.163 4.214 1816TIP3 OH260812 -0.647 3.796 3.539 1816TIP3 H160813 -0.705 3.779 3.462 1816TIP3 H260814 -0.635 3.892 3.527 1816TIP3 OH260815 -1.122 4.191 4.244 1816TIP3 H160816 -1.209 4.168 4.278 1816TIP3 H260817 -1.087 4.110 4.202 1817TIP3 OH260818 -2.249 4.095 3.342 1817TIP3 H160819 -2.189 4.155 3.390 1817TIP3 H260820 -2.333 4.111 3.388 1817TIP3 OH260821 -2.072 -4.386 3.529 1817TIP3 H160822 -2.163 -4.351 3.542 1817TIP3 H260823 -2.026 -4.305 3.503 1817TIP3 OH260824 -1.257 3.496 3.613 1817TIP3 H160825 -1.241 3.577 3.561 1817TIP3 H260826 -1.229 3.528 3.701 1817TIP3 OH260827 -1.497 3.698 3.761 1817TIP3 H160828 -1.419 3.756 3.758 1817TIP3 H260829 -1.530 3.724 3.848 1817TIP3 OH260830 -1.885 3.496 3.478 1817TIP3 H160831 -1.878 3.579 3.530 1817TIP3 H260832 -1.800 3.454 3.500 1817TIP3 OH260833 -1.023 3.958 4.132 1817TIP3 H160834 -1.094 3.922 4.074 1817TIP3 H260835 -0.970 3.879 4.157 1817TIP3 OH260836 -2.235 3.800 3.294 1817TIP3 H160837 -2.221 3.895 3.313 1817TIP3 H260838 -2.321 3.800 3.250 1817TIP3 OH260839 -2.141 3.299 4.171 1817TIP3 H160840 -2.161 3.303 4.075 1817TIP3 H260841 -2.179 3.215 4.198 1817TIP3 OH260842 -1.789 4.168 3.458 1817TIP3 H160843 -1.840 4.116 3.521 1817TIP3 H260844 -1.757 4.099 3.396 1817TIP3 OH260845 -1.689 3.955 3.288 1817TIP3 H160846 -1.690 3.969 3.192 1817TIP3 H260847 -1.594 3.964 3.307 1818TIP3 OH260848 -0.759 4.185 3.212 1818TIP3 H160849 -0.772 4.176 3.116 1818TIP3 H260850 -0.761 4.282 3.225 1818TIP3 OH260851 -0.675 4.349 3.632 1818TIP3 H160852 -0.580 4.356 3.645 1818TIP3 H260853 -0.700 4.280 3.696 1818TIP3 OH260854 -0.643 4.133 3.813 1818TIP3 H160855 -0.722 4.089 3.850 1818TIP3 H260856 -0.590 4.152 3.893 1818TIP3 OH260857 -0.624 4.096 3.461 1818TIP3 H160858 -0.687 4.117 3.390 1818TIP3 H260859 -0.644 4.167 3.525 1818TIP3 OH260860 -0.786 3.836 3.294 1818TIP3 H160861 -0.781 3.908 3.230 1818TIP3 H260862 -0.825 3.764 3.242 1818TIP3 OH260863 -0.868 3.965 3.885 1818TIP3 H160864 -0.887 3.872 3.866 1818TIP3 H260865 -0.910 3.977 3.972 1818TIP3 OH260866 -2.382 4.133 4.268 1818TIP3 H160867 -2.367 4.189 4.190 1818TIP3 H260868 -2.304 4.152 4.323 1818TIP3 OH260869 -0.859 3.561 3.201 1818TIP3 H160870 -0.798 3.529 3.270 1818TIP3 H260871 -0.943 3.522 3.225 1818TIP3 OH260872 -0.892 3.715 3.698 1818TIP3 H160873 -0.865 3.623 3.716 1818TIP3 H260874 -0.810 3.754 3.665 1818TIP3 OH260875 -0.854 3.769 4.219 1818TIP3 H160876 -0.758 3.779 4.235 1818TIP3 H260877 -0.890 3.767 4.309 1819TIP3 OH260878 -0.823 3.427 3.705 1819TIP3 H160879 -0.817 3.403 3.799 1819TIP3 H260880 -0.908 3.385 3.679 1819TIP3 OH260881 -2.299 3.561 4.192 1819TIP3 H160882 -2.274 3.468 4.206 1819TIP3 H260883 -2.243 3.603 4.259 1819TIP3 OH260884 -2.460 3.845 4.304 1819TIP3 H160885 -2.417 3.810 4.224 1819TIP3 H260886 -2.434 3.939 4.300 1819TIP3 OH260887 -0.634 3.479 3.368 1819TIP3 H160888 -0.599 3.397 3.329 1819TIP3 H260889 -0.552 3.529 3.385 1819TIP3 OH260890 -2.405 3.445 3.691 1819TIP3 H160891 -2.500 3.452 3.674 1819TIP3 H260892 -2.366 3.509 3.628 1819TIP3 OH260893 -0.926 3.278 4.153 1819TIP3 H160894 -0.844 3.293 4.104 1819TIP3 H260895 -0.991 3.260 4.085 1819TIP3 OH260896 -0.709 3.340 3.964 1819TIP3 H160897 -0.635 3.304 3.910 1819TIP3 H260898 -0.678 3.432 3.977 1819TIP3 OH260899 -2.175 3.301 3.882 1819TIP3 H160900 -2.263 3.286 3.841 1819TIP3 H260901 -2.136 3.212 3.875 1819TIP3 OH260902 -2.295 3.250 3.477 1819TIP3 H160903 -2.244 3.316 3.426 1819TIP3 H260904 -2.336 3.304 3.546 1819TIP3 OH260905 -1.228 3.298 3.985 1819TIP3 H160906 -1.147 3.288 3.933 1819TIP3 H260907 -1.217 3.234 4.057 1820TIP3 OH260908 -1.058 3.288 3.613 1820TIP3 H160909 -1.137 3.346 3.607 1820TIP3 H260910 -1.098 3.201 3.628 1820TIP3 OH260911 -2.123 3.432 3.321 1820TIP3 H160912 -2.062 3.377 3.269 1820TIP3 H260913 -2.063 3.466 3.390 1820TIP3 OH260914 -1.621 3.458 3.590 1820TIP3 H160915 -1.568 3.393 3.638 1820TIP3 H260916 -1.589 3.543 3.625 1820TIP3 OH260917 0.610 4.194 3.893 1820TIP3 H160918 0.591 4.286 3.915 1820TIP3 H260919 0.532 4.167 3.843 1820TIP3 OH260920 0.468 4.120 4.249 1820TIP3 H160921 0.492 4.051 4.313 1820TIP3 H260922 0.486 4.081 4.164 1820TIP3 OH260923 -0.491 3.888 3.777 1820TIP3 H160924 -0.537 3.973 3.789 1820TIP3 H260925 -0.562 3.833 3.742 1820TIP3 OH260926 -0.399 4.130 3.973 1820TIP3 H160927 -0.398 4.056 4.036 1820TIP3 H260928 -0.320 4.110 3.922 1820TIP3 OH260929 0.655 3.815 4.322 1820TIP3 H160930 0.696 3.729 4.342 1820TIP3 H260931 0.662 3.820 4.225 1820TIP3 OH260932 -0.037 3.603 4.042 1820TIP3 H160933 -0.017 3.688 3.999 1820TIP3 H260934 -0.068 3.552 3.965 1820TIP3 OH260935 0.754 3.622 3.865 1820TIP3 H160936 0.807 3.583 3.939 1820TIP3 H260937 0.825 3.668 3.817 1821TIP3 OH260938 -0.340 3.868 4.099 1821TIP3 H160939 -0.292 3.809 4.157 1821TIP3 H260940 -0.335 3.821 4.014 1821TIP3 OH260941 0.173 4.015 4.056 1821TIP3 H160942 0.243 3.955 4.086 1821TIP3 H260943 0.123 3.957 3.995 1821TIP3 OH260944 0.931 3.562 4.067 1821TIP3 H160945 0.927 3.474 4.111 1821TIP3 H260946 0.980 3.611 4.135 1821TIP3 OH260947 -0.113 3.693 4.297 1821TIP3 H160948 -0.122 3.787 4.278 1821TIP3 H260949 -0.112 3.651 4.209 1821TIP3 OH260950 0.260 3.241 4.176 1821TIP3 H160951 0.258 3.144 4.183 1821TIP3 H260952 0.178 3.266 4.224 1821TIP3 OH260953 0.462 4.143 3.636 1821TIP3 H160954 0.400 4.182 3.574 1821TIP3 H260955 0.541 4.133 3.579 1821TIP3 OH260956 0.503 3.945 3.352 1821TIP3 H160957 0.576 3.978 3.408 1821TIP3 H260958 0.553 3.892 3.288 1821TIP3 OH260959 0.835 4.142 3.737 1821TIP3 H160960 0.768 4.162 3.806 1821TIP3 H260961 0.900 4.090 3.789 1821TIP3 OH260962 -0.027 4.205 3.937 1821TIP3 H160963 -0.038 4.181 3.843 1821TIP3 H260964 0.058 4.165 3.958 1821TIP3 OH260965 0.008 4.083 4.284 1821TIP3 H160966 0.076 4.084 4.215 1821TIP3 H260967 0.045 4.138 4.354 1822TIP3 OH260968 0.717 4.074 3.500 1822TIP3 H160969 0.772 4.102 3.577 1822TIP3 H260970 0.763 4.121 3.426 1822TIP3 OH260971 1.066 3.247 3.444 1822TIP3 H160972 0.978 3.256 3.485 1822TIP3 H260973 1.101 3.337 3.451 1822TIP3 OH260974 -0.123 4.089 3.680 1822TIP3 H160975 -0.142 4.166 3.623 1822TIP3 H260976 -0.187 4.024 3.649 1822TIP3 OH260977 0.015 3.329 4.293 1822TIP3 H160978 -0.067 3.326 4.240 1822TIP3 H260979 0.028 3.425 4.308 1822TIP3 OH260980 0.853 4.178 3.290 1822TIP3 H160981 0.852 4.152 3.197 1822TIP3 H260982 0.942 4.216 3.299 1822TIP3 OH260983 0.441 3.558 3.344 1822TIP3 H160984 0.392 3.546 3.427 1822TIP3 H260985 0.400 3.489 3.289 1822TIP3 OH260986 0.005 3.835 3.883 1822TIP3 H160987 -0.090 3.828 3.867 1822TIP3 H260988 0.040 3.814 3.795 1822TIP3 OH260989 0.565 3.898 3.764 1822TIP3 H160990 0.520 3.974 3.725 1822TIP3 H260991 0.633 3.878 3.697 1822TIP3 OH260992 0.643 3.832 4.043 1822TIP3 H160993 0.617 3.886 3.965 1822TIP3 H260994 0.666 3.749 3.997 1822TIP3 OH260995 0.084 3.605 3.235 1822TIP3 H160996 0.049 3.568 3.319 1822TIP3 H260997 0.004 3.613 3.181 1823TIP3 OH260998 -0.569 3.591 3.942 1823TIP3 H160999 -0.512 3.589 4.022 1823TIP3 H261000 -0.514 3.549 3.874 1823TIP3 OH261001 -0.415 3.632 3.512 1823TIP3 H161002 -0.358 3.681 3.449 1823TIP3 H261003 -0.483 3.699 3.531 1823TIP3 OH261004 0.272 3.597 3.982 1823TIP3 H161005 0.180 3.589 4.011 1823TIP3 H261006 0.321 3.575 4.063 1823TIP3 OH261007 -0.264 3.717 3.854 1823TIP3 H161008 -0.345 3.745 3.807 1823TIP3 H261009 -0.234 3.639 3.803 1823TIP3 OH261010 0.101 3.748 3.619 1823TIP3 H161011 0.198 3.757 3.628 1823TIP3 H261012 0.078 3.812 3.549 1823TIP3 OH261013 0.714 3.461 4.280 1823TIP3 H161014 0.682 3.495 4.365 1823TIP3 H261015 0.638 3.470 4.221 1823TIP3 OH261016 -0.057 3.878 3.398 1823TIP3 H161017 -0.112 3.843 3.326 1823TIP3 H261018 0.026 3.896 3.351 1823TIP3 OH261019 0.366 3.830 4.184 1823TIP3 H161020 0.446 3.803 4.136 1823TIP3 H261021 0.373 3.778 4.265 1823TIP3 OH261022 -0.087 3.491 3.784 1823TIP3 H161023 -0.140 3.411 3.800 1823TIP3 H261024 -0.006 3.454 3.747 1823TIP3 OH261025 0.250 4.365 3.602 1823TIP3 H161026 0.212 4.297 3.544 1823TIP3 H261027 0.299 4.318 3.669 1824TIP3 OH261028 0.710 3.618 3.356 1824TIP3 H161029 0.611 3.614 3.355 1824TIP3 H261030 0.729 3.688 3.422 1824TIP3 OH261031 0.777 3.797 3.564 1824TIP3 H161032 0.864 3.780 3.606 1824TIP3 H261033 0.790 3.885 3.525 1824TIP3 OH261034 -0.178 4.238 4.163 1824TIP3 H161035 -0.117 4.238 4.086 1824TIP3 H261036 -0.140 4.163 4.213 1824TIP3 OH261037 1.237 3.796 3.537 1824TIP3 H161038 1.180 3.778 3.460 1824TIP3 H261039 1.249 3.892 3.525 1824TIP3 OH261040 0.749 4.216 4.221 1824TIP3 H161041 0.678 4.187 4.279 1824TIP3 H261042 0.801 4.135 4.203 1824TIP3 OH261043 -0.364 4.095 3.341 1824TIP3 H161044 -0.305 4.155 3.391 1824TIP3 H261045 -0.449 4.109 3.388 1824TIP3 OH261046 -0.188 -4.386 3.524 1824TIP3 H161047 -0.277 -4.351 3.544 1824TIP3 H261048 -0.138 -4.305 3.509 1824TIP3 OH261049 0.627 3.492 3.632 1824TIP3 H161050 0.645 3.548 3.555 1824TIP3 H261051 0.670 3.542 3.704 1824TIP3 OH261052 0.366 3.695 3.727 1824TIP3 H161053 0.444 3.751 3.745 1824TIP3 H261054 0.335 3.673 3.817 1824TIP3 OH261055 0.420 3.393 3.817 1824TIP3 H161056 0.409 3.454 3.892 1824TIP3 H261057 0.498 3.432 3.773 1825TIP3 OH261058 -0.002 3.495 3.474 1825TIP3 H161059 0.000 3.570 3.535 1825TIP3 H261060 0.079 3.447 3.501 1825TIP3 OH261061 0.878 3.969 4.131 1825TIP3 H161062 0.797 3.921 4.108 1825TIP3 H261063 0.934 3.897 4.169 1825TIP3 OH261064 -0.347 3.801 3.292 1825TIP3 H161065 -0.335 3.895 3.314 1825TIP3 H261066 -0.436 3.800 3.255 1825TIP3 OH261067 -0.260 3.302 4.172 1825TIP3 H161068 -0.273 3.306 4.074 1825TIP3 H261069 -0.292 3.214 4.194 1825TIP3 OH261070 0.108 4.162 3.456 1825TIP3 H161071 0.044 4.119 3.515 1825TIP3 H261072 0.125 4.092 3.390 1825TIP3 OH261073 0.193 3.957 3.284 1825TIP3 H161074 0.191 3.971 3.188 1825TIP3 H261075 0.289 3.955 3.302 1825TIP3 OH261076 1.123 4.189 3.207 1825TIP3 H161077 1.115 4.182 3.110 1825TIP3 H261078 1.124 4.285 3.224 1825TIP3 OH261079 1.205 4.359 3.643 1825TIP3 H161080 1.301 4.359 3.634 1825TIP3 H261081 1.186 4.279 3.694 1825TIP3 OH261082 1.243 4.132 3.812 1825TIP3 H161083 1.163 4.091 3.850 1825TIP3 H261084 1.296 4.152 3.892 1825TIP3 OH261085 1.260 4.095 3.461 1825TIP3 H161086 1.196 4.117 3.391 1825TIP3 H261087 1.244 4.166 3.524 1826TIP3 OH261088 1.085 3.844 3.295 1826TIP3 H161089 1.105 3.905 3.223 1826TIP3 H261090 1.061 3.762 3.248 1826TIP3 OH261091 1.013 3.966 3.885 1826TIP3 H161092 1.011 3.870 3.873 1826TIP3 H261093 0.979 3.976 3.976 1826TIP3 OH261094 -0.495 4.130 4.267 1826TIP3 H161095 -0.484 4.189 4.192 1826TIP3 H261096 -0.418 4.152 4.323 1826TIP3 OH261097 1.031 3.579 3.215 1826TIP3 H161098 1.089 3.529 3.275 1826TIP3 H261099 0.951 3.525 3.210 1826TIP3 OH261100 1.013 3.707 3.709 1826TIP3 H161101 1.036 3.612 3.717 1826TIP3 H261102 1.095 3.742 3.669 1826TIP3 OH261103 1.036 3.777 4.223 1826TIP3 H161104 1.131 3.773 4.242 1826TIP3 H261105 0.996 3.750 4.308 1826TIP3 OH261106 1.059 3.427 3.707 1826TIP3 H161107 1.068 3.396 3.798 1826TIP3 H261108 0.979 3.379 3.678 1826TIP3 OH261109 -0.416 3.558 4.191 1826TIP3 H161110 -0.383 3.467 4.203 1826TIP3 H261111 -0.362 3.605 4.256 1826TIP3 OH261112 -0.578 3.844 4.302 1826TIP3 H161113 -0.532 3.811 4.223 1826TIP3 H261114 -0.551 3.939 4.300 1826TIP3 OH261115 1.255 3.476 3.374 1826TIP3 H161116 1.286 3.395 3.329 1826TIP3 H261117 1.338 3.527 3.382 1827TIP3 OH261118 -0.519 3.443 3.688 1827TIP3 H161119 -0.615 3.455 3.674 1827TIP3 H261120 -0.480 3.509 3.628 1827TIP3 OH261121 0.471 3.439 4.124 1827TIP3 H161122 0.412 3.367 4.153 1827TIP3 H261123 0.541 3.389 4.077 1827TIP3 OH261124 0.966 3.307 4.154 1827TIP3 H161125 1.050 3.273 4.120 1827TIP3 H261126 0.897 3.253 4.115 1827TIP3 OH261127 1.183 3.340 3.958 1827TIP3 H161128 1.258 3.305 3.905 1827TIP3 H261129 1.209 3.432 3.974 1827TIP3 OH261130 -0.292 3.300 3.890 1827TIP3 H161131 -0.377 3.287 3.843 1827TIP3 H261132 -0.247 3.216 3.873 1827TIP3 OH261133 -0.411 3.251 3.477 1827TIP3 H161134 -0.359 3.316 3.427 1827TIP3 H261135 -0.449 3.305 3.547 1827TIP3 OH261136 0.159 3.276 3.891 1827TIP3 H161137 0.247 3.313 3.871 1827TIP3 H261138 0.165 3.268 3.987 1827TIP3 OH261139 0.693 3.293 3.998 1827TIP3 H161140 0.741 3.267 3.919 1827TIP3 H261141 0.673 3.207 4.041 1827TIP3 OH261142 0.827 3.287 3.616 1827TIP3 H161143 0.745 3.340 3.604 1827TIP3 H261144 0.791 3.198 3.628 1827TIP3 OH261145 -0.237 3.432 3.321 1827TIP3 H161146 -0.176 3.376 3.270 1827TIP3 H261147 -0.178 3.465 3.391 1828TIP3 OH261148 0.270 3.450 3.584 1828TIP3 H161149 0.310 3.395 3.654 1828TIP3 H261150 0.290 3.538 3.619 1828TIP3 OH261151 2.496 4.194 3.893 1828TIP3 H161152 2.475 4.286 3.914 1828TIP3 H261153 2.418 4.167 3.843 1828TIP3 OH261154 2.359 4.120 4.251 1828TIP3 H161155 2.379 4.047 4.311 1828TIP3 H261156 2.369 4.082 4.163 1828TIP3 OH261157 1.395 3.890 3.777 1828TIP3 H161158 1.346 3.974 3.786 1828TIP3 H261159 1.325 3.831 3.745 1828TIP3 OH261160 1.488 4.131 3.975 1828TIP3 H161161 1.487 4.055 4.035 1828TIP3 H261162 1.564 4.108 3.920 1828TIP3 OH261163 2.539 3.817 4.322 1828TIP3 H161164 2.582 3.733 4.343 1828TIP3 H261165 2.546 3.822 4.225 1828TIP3 OH261166 1.851 3.603 4.042 1828TIP3 H161167 1.867 3.688 3.997 1828TIP3 H261168 1.819 3.551 3.966 1828TIP3 OH261169 2.639 3.623 3.865 1828TIP3 H161170 2.692 3.583 3.939 1828TIP3 H261171 2.710 3.668 3.817 1828TIP3 OH261172 1.549 3.871 4.098 1828TIP3 H161173 1.590 3.807 4.158 1828TIP3 H261174 1.550 3.822 4.014 1828TIP3 OH261175 2.058 4.015 4.055 1828TIP3 H161176 2.128 3.954 4.086 1828TIP3 H261177 2.008 3.957 3.995 1829TIP3 OH261178 2.814 3.566 4.066 1829TIP3 H161179 2.813 3.476 4.106 1829TIP3 H261180 2.865 3.613 4.134 1829TIP3 OH261181 1.776 3.694 4.298 1829TIP3 H161182 1.759 3.787 4.279 1829TIP3 H261183 1.771 3.651 4.211 1829TIP3 OH261184 2.147 3.241 4.177 1829TIP3 H161185 2.142 3.144 4.183 1829TIP3 H261186 2.064 3.267 4.222 1829TIP3 OH261187 2.347 4.142 3.636 1829TIP3 H161188 2.286 4.188 3.578 1829TIP3 H261189 2.424 4.132 3.578 1829TIP3 OH261190 2.390 3.942 3.355 1829TIP3 H161191 2.462 3.978 3.408 1829TIP3 H261192 2.439 3.893 3.288 1829TIP3 OH261193 2.721 4.144 3.738 1829TIP3 H161194 2.653 4.162 3.806 1829TIP3 H261195 2.786 4.091 3.788 1829TIP3 OH261196 1.860 4.207 3.936 1829TIP3 H161197 1.845 4.179 3.844 1829TIP3 H261198 1.943 4.162 3.957 1829TIP3 OH261199 1.895 4.081 4.285 1829TIP3 H161200 1.961 4.083 4.214 1829TIP3 H261201 1.931 4.142 4.351 1829TIP3 OH261202 2.602 4.073 3.501 1829TIP3 H161203 2.658 4.101 3.578 1829TIP3 H261204 2.649 4.119 3.427 1829TIP3 OH261205 1.762 4.090 3.681 1829TIP3 H161206 1.743 4.167 3.624 1829TIP3 H261207 1.700 4.023 3.649 1830TIP3 OH261208 1.903 3.330 4.290 1830TIP3 H161209 1.819 3.322 4.242 1830TIP3 H261210 1.910 3.425 4.308 1830TIP3 OH261211 2.742 4.176 3.296 1830TIP3 H161212 2.734 4.160 3.200 1830TIP3 H261213 2.831 4.215 3.301 1830TIP3 OH261214 2.330 3.551 3.346 1830TIP3 H161215 2.276 3.545 3.426 1830TIP3 H261216 2.282 3.490 3.288 1830TIP3 OH261217 1.891 3.837 3.883 1830TIP3 H161218 1.795 3.827 3.867 1830TIP3 H261219 1.925 3.814 3.794 1830TIP3 OH261220 2.450 3.899 3.764 1830TIP3 H161221 2.405 3.975 3.724 1830TIP3 H261222 2.517 3.878 3.697 1830TIP3 OH261223 2.529 3.832 4.042 1830TIP3 H161224 2.503 3.886 3.965 1830TIP3 H261225 2.552 3.749 3.997 1830TIP3 OH261226 1.972 3.603 3.235 1830TIP3 H161227 1.934 3.567 3.318 1830TIP3 H261228 1.893 3.616 3.182 1830TIP3 OH261229 1.322 3.601 3.940 1830TIP3 H161230 1.373 3.588 4.022 1830TIP3 H261231 1.369 3.548 3.874 1830TIP3 OH261232 1.474 3.633 3.514 1830TIP3 H161233 1.527 3.682 3.448 1830TIP3 H261234 1.403 3.698 3.531 1830TIP3 OH261235 2.158 3.599 3.982 1830TIP3 H161236 2.065 3.589 4.009 1830TIP3 H261237 2.205 3.573 4.063 1831TIP3 OH261238 1.625 3.719 3.852 1831TIP3 H161239 1.541 3.743 3.809 1831TIP3 H261240 1.651 3.639 3.803 1831TIP3 OH261241 1.988 3.749 3.619 1831TIP3 H161242 2.085 3.761 3.625 1831TIP3 H261243 1.961 3.810 3.548 1831TIP3 OH261244 2.599 3.459 4.282 1831TIP3 H161245 2.566 3.496 4.365 1831TIP3 H261246 2.525 3.469 4.221 1831TIP3 OH261247 1.830 3.878 3.399 1831TIP3 H161248 1.773 3.845 3.328 1831TIP3 H261249 1.913 3.896 3.350 1831TIP3 OH261250 2.254 3.833 4.187 1831TIP3 H161251 2.330 3.802 4.136 1831TIP3 H261252 2.257 3.775 4.264 1831TIP3 OH261253 1.799 3.490 3.786 1831TIP3 H161254 1.742 3.413 3.800 1831TIP3 H261255 1.878 3.451 3.747 1831TIP3 OH261256 2.148 4.369 3.591 1831TIP3 H161257 2.094 4.303 3.543 1831TIP3 H261258 2.171 4.324 3.673 1831TIP3 OH261259 2.596 3.623 3.347 1831TIP3 H161260 2.498 3.613 3.354 1831TIP3 H261261 2.616 3.685 3.420 1831TIP3 OH261262 2.663 3.795 3.563 1831TIP3 H161263 2.750 3.780 3.607 1831TIP3 H261264 2.674 3.885 3.526 1831TIP3 OH261265 1.710 4.240 4.164 1831TIP3 H161266 1.769 4.238 4.086 1831TIP3 H261267 1.743 4.162 4.212 1832TIP3 OH261268 3.122 3.796 3.535 1832TIP3 H161269 3.063 3.783 3.457 1832TIP3 H261270 3.137 3.892 3.526 1832TIP3 OH261271 2.635 4.217 4.220 1832TIP3 H161272 2.561 4.186 4.275 1832TIP3 H261273 2.686 4.136 4.202 1832TIP3 OH261274 1.522 4.095 3.343 1832TIP3 H161275 1.581 4.155 3.392 1832TIP3 H261276 1.437 4.110 3.389 1832TIP3 OH261277 1.701 -4.386 3.528 1832TIP3 H161278 1.609 -4.354 3.541 1832TIP3 H261279 1.745 -4.303 3.503 1832TIP3 OH261280 2.533 3.478 3.634 1832TIP3 H161281 2.526 3.540 3.561 1832TIP3 H261282 2.562 3.536 3.707 1832TIP3 OH261283 2.258 3.691 3.727 1832TIP3 H161284 2.331 3.753 3.747 1832TIP3 H261285 2.223 3.671 3.816 1832TIP3 OH261286 2.306 3.394 3.817 1832TIP3 H161287 2.295 3.454 3.893 1832TIP3 H261288 2.387 3.430 3.777 1832TIP3 OH261289 1.883 3.495 3.474 1832TIP3 H161290 1.885 3.570 3.536 1832TIP3 H261291 1.964 3.446 3.501 1832TIP3 OH261292 2.762 3.971 4.133 1832TIP3 H161293 2.683 3.921 4.107 1832TIP3 H261294 2.820 3.900 4.170 1832TIP3 OH261295 1.537 3.800 3.296 1832TIP3 H161296 1.549 3.895 3.313 1832TIP3 H261297 1.452 3.799 3.249 1833TIP3 OH261298 1.628 3.300 4.171 1833TIP3 H161299 1.612 3.304 4.075 1833TIP3 H261300 1.592 3.214 4.195 1833TIP3 OH261301 1.998 4.161 3.466 1833TIP3 H161302 1.928 4.119 3.516 1833TIP3 H261303 2.012 4.098 3.393 1833TIP3 OH261304 2.078 3.958 3.284 1833TIP3 H161305 2.075 3.971 3.187 1833TIP3 H261306 2.174 3.957 3.300 1833TIP3 OH261307 3.009 4.189 3.207 1833TIP3 H161308 2.997 4.183 3.111 1833TIP3 H261309 3.014 4.285 3.224 1833TIP3 OH261310 3.081 4.365 3.646 1833TIP3 H161311 3.177 4.370 3.635 1833TIP3 H261312 3.068 4.283 3.695 1833TIP3 OH261313 3.128 4.133 3.812 1833TIP3 H161314 3.049 4.091 3.851 1833TIP3 H261315 3.183 4.150 3.891 1833TIP3 OH261316 3.145 4.093 3.461 1833TIP3 H161317 3.082 4.117 3.391 1833TIP3 H261318 3.131 4.165 3.524 1833TIP3 OH261319 2.972 3.842 3.295 1833TIP3 H161320 2.991 3.908 3.226 1833TIP3 H261321 2.949 3.763 3.243 1833TIP3 OH261322 2.898 3.966 3.885 1833TIP3 H161323 2.897 3.869 3.874 1833TIP3 H261324 2.865 3.975 3.976 1833TIP3 OH261325 1.390 4.133 4.267 1833TIP3 H161326 1.406 4.189 4.190 1833TIP3 H261327 1.465 4.152 4.324 1834TIP3 OH261328 2.921 3.575 3.216 1834TIP3 H161329 2.973 3.527 3.283 1834TIP3 H261330 2.836 3.529 3.218 1834TIP3 OH261331 2.898 3.706 3.709 1834TIP3 H161332 2.921 3.611 3.718 1834TIP3 H261333 2.980 3.740 3.670 1834TIP3 OH261334 2.922 3.778 4.222 1834TIP3 H161335 3.018 3.773 4.241 1834TIP3 H261336 2.884 3.743 4.305 1834TIP3 OH261337 2.953 3.428 3.708 1834TIP3 H161338 2.947 3.395 3.800 1834TIP3 H261339 2.880 3.379 3.664 1834TIP3 OH261340 1.471 3.559 4.191 1834TIP3 H161341 1.498 3.467 4.204 1834TIP3 H261342 1.525 3.603 4.258 1834TIP3 OH261343 1.310 3.844 4.303 1834TIP3 H161344 1.353 3.810 4.222 1834TIP3 H261345 1.336 3.938 4.299 1834TIP3 OH261346 3.123 3.455 3.376 1834TIP3 H161347 3.168 3.385 3.327 1834TIP3 H261348 3.195 3.517 3.395 1834TIP3 OH261349 1.366 3.447 3.693 1834TIP3 H161350 1.271 3.453 3.673 1834TIP3 H261351 1.406 3.508 3.629 1834TIP3 OH261352 2.356 3.439 4.124 1834TIP3 H161353 2.297 3.367 4.153 1834TIP3 H261354 2.426 3.389 4.077 1834TIP3 OH261355 2.853 3.314 4.145 1834TIP3 H161356 2.936 3.267 4.133 1834TIP3 H261357 2.784 3.249 4.130 1835TIP3 OH261358 3.073 3.337 3.955 1835TIP3 H161359 3.147 3.311 3.899 1835TIP3 H261360 3.093 3.430 3.976 1835TIP3 OH261361 1.595 3.301 3.888 1835TIP3 H161362 1.509 3.287 3.843 1835TIP3 H261363 1.638 3.215 3.873 1835TIP3 OH261364 1.477 3.250 3.478 1835TIP3 H161365 1.527 3.316 3.426 1835TIP3 H261366 1.436 3.304 3.546 1835TIP3 OH261367 2.046 3.277 3.890 1835TIP3 H161368 2.135 3.312 3.873 1835TIP3 H261369 2.047 3.269 3.986 1835TIP3 OH261370 2.574 3.293 3.999 1835TIP3 H161371 2.625 3.264 3.922 1835TIP3 H261372 2.557 3.209 4.045 1835TIP3 OH261373 2.739 3.291 3.590 1835TIP3 H161374 2.660 3.348 3.592 1835TIP3 H261375 2.702 3.207 3.620 1835TIP3 OH261376 1.647 3.432 3.321 1835TIP3 H161377 1.708 3.376 3.269 1835TIP3 H261378 1.707 3.465 3.391 1835TIP3 OH261379 2.160 3.451 3.581 1835TIP3 H161380 2.194 3.395 3.654 1835TIP3 H261381 2.174 3.538 3.621 1835TIP3 OH261382 4.195 4.102 4.243 1835TIP3 H161383 4.273 4.115 4.299 1835TIP3 H261384 4.236 4.087 4.157 1835TIP3 OH261385 3.281 3.889 3.774 1835TIP3 H161386 3.235 3.974 3.787 1835TIP3 H261387 3.208 3.831 3.748 1836TIP3 OH261388 3.371 4.129 3.974 1836TIP3 H161389 3.373 4.053 4.036 1836TIP3 H261390 3.452 4.111 3.924 1836TIP3 OH261391 3.735 3.604 4.041 1836TIP3 H161392 3.756 3.689 3.999 1836TIP3 H261393 3.700 3.554 3.966 1836TIP3 OH261394 3.433 3.871 4.098 1836TIP3 H161395 3.477 3.811 4.159 1836TIP3 H261396 3.436 3.820 4.015 1836TIP3 OH261397 3.942 4.014 4.056 1836TIP3 H161398 4.016 3.956 4.085 1836TIP3 H261399 3.894 3.952 3.997 1836TIP3 OH261400 3.659 3.694 4.299 1836TIP3 H161401 3.650 3.787 4.278 1836TIP3 H261402 3.659 3.650 4.212 1836TIP3 OH261403 4.031 3.239 4.165 1836TIP3 H161404 4.028 3.144 4.186 1836TIP3 H261405 3.956 3.272 4.219 1836TIP3 OH261406 4.268 4.125 3.630 1836TIP3 H161407 4.200 4.190 3.606 1836TIP3 H261408 4.332 4.141 3.561 1836TIP3 OH261409 4.285 3.941 3.364 1836TIP3 H161410 4.373 3.970 3.393 1836TIP3 H261411 4.300 3.913 3.273 1836TIP3 OH261412 3.743 4.204 3.937 1836TIP3 H161413 3.735 4.179 3.844 1836TIP3 H261414 3.829 4.165 3.961 1836TIP3 OH261415 3.784 4.082 4.287 1836TIP3 H161416 3.850 4.080 4.215 1836TIP3 H261417 3.822 4.145 4.350 1837TIP3 OH261418 3.650 4.087 3.677 1837TIP3 H161419 3.631 4.166 3.622 1837TIP3 H261420 3.580 4.025 3.650 1837TIP3 OH261421 3.789 3.330 4.292 1837TIP3 H161422 3.705 3.323 4.244 1837TIP3 H261423 3.797 3.425 4.310 1837TIP3 OH261424 4.216 3.551 3.326 1837TIP3 H161425 4.171 3.552 3.411 1837TIP3 H261426 4.189 3.467 3.288 1837TIP3 OH261427 3.775 3.835 3.884 1837TIP3 H161428 3.680 3.827 3.867 1837TIP3 H261429 3.810 3.816 3.795 1837TIP3 OH261430 4.271 3.887 3.833 1837TIP3 H161431 4.266 3.980 3.803 1837TIP3 H261432 4.364 3.875 3.855 1837TIP3 OH261433 3.872 3.566 3.227 1837TIP3 H161434 3.834 3.556 3.316 1837TIP3 H261435 3.809 3.624 3.184 1837TIP3 OH261436 3.208 3.601 3.940 1837TIP3 H161437 3.258 3.591 4.023 1837TIP3 H261438 3.257 3.546 3.876 1837TIP3 OH261439 3.352 3.628 3.508 1837TIP3 H161440 3.408 3.677 3.445 1837TIP3 H261441 3.286 3.697 3.531 1837TIP3 OH261442 4.041 3.579 3.983 1837TIP3 H161443 3.951 3.585 4.018 1837TIP3 H261444 4.092 3.582 4.066 1837TIP3 OH261445 3.511 3.717 3.851 1837TIP3 H161446 3.426 3.743 3.810 1837TIP3 H261447 3.536 3.637 3.801 1838TIP3 OH261448 3.876 3.744 3.615 1838TIP3 H161449 3.970 3.762 3.628 1838TIP3 H261450 3.848 3.809 3.549 1838TIP3 OH261451 3.720 3.866 3.392 1838TIP3 H161452 3.668 3.848 3.312 1838TIP3 H261453 3.803 3.898 3.352 1838TIP3 OH261454 4.122 3.815 4.149 1838TIP3 H161455 4.199 3.786 4.099 1838TIP3 H261456 4.150 3.796 4.240 1838TIP3 OH261457 3.681 3.487 3.772 1838TIP3 H161458 3.629 3.411 3.801 1838TIP3 H261459 3.770 3.449 3.762 1838TIP3 OH261460 4.068 4.333 3.593 1838TIP3 H161461 3.993 4.291 3.545 1838TIP3 H261462 4.043 4.321 3.685 1838TIP3 OH261463 3.595 4.236 4.165 1838TIP3 H161464 3.655 4.237 4.088 1838TIP3 H261465 3.630 4.160 4.214 1838TIP3 OH261466 3.409 4.093 3.343 1838TIP3 H161467 3.468 4.154 3.390 1838TIP3 H261468 3.324 4.110 3.388 1838TIP3 OH261469 3.583 -4.386 3.529 1838TIP3 H161470 3.493 -4.351 3.543 1838TIP3 H261471 3.631 -4.306 3.501 1838TIP3 OH261472 4.141 3.678 3.723 1838TIP3 H161473 4.200 3.750 3.756 1838TIP3 H261474 4.103 3.652 3.809 1838TIP3 OH261475 4.184 3.395 3.829 1838TIP3 H161476 4.162 3.460 3.900 1838TIP3 H261477 4.274 3.424 3.807 1839TIP3 OH261478 3.779 3.490 3.473 1839TIP3 H161479 3.754 3.566 3.529 1839TIP3 H261480 3.863 3.466 3.517 1839TIP3 OH261481 3.422 3.799 3.291 1839TIP3 H161482 3.438 3.893 3.312 1839TIP3 H261483 3.333 3.801 3.253 1839TIP3 OH261484 3.513 3.300 4.171 1839TIP3 H161485 3.494 3.302 4.075 1839TIP3 H261486 3.479 3.214 4.199 1839TIP3 OH261487 3.873 4.165 3.462 1839TIP3 H161488 3.815 4.112 3.518 1839TIP3 H261489 3.903 4.101 3.395 1839TIP3 OH261490 3.977 3.955 3.295 1839TIP3 H161491 3.976 3.961 3.198 1839TIP3 H261492 4.073 3.962 3.312 1839TIP3 OH261493 3.274 4.135 4.268 1839TIP3 H161494 3.292 4.189 4.190 1839TIP3 H261495 3.352 4.151 4.324 1839TIP3 OH261496 3.358 3.560 4.189 1839TIP3 H161497 3.384 3.468 4.205 1839TIP3 H261498 3.410 3.604 4.258 1839TIP3 OH261499 3.194 3.845 4.302 1839TIP3 H161500 3.240 3.809 4.225 1839TIP3 H261501 3.223 3.938 4.300 1839TIP3 OH261502 3.250 3.439 3.688 1839TIP3 H161503 3.154 3.451 3.677 1839TIP3 H261504 3.288 3.507 3.630 1839TIP3 OH261505 4.261 3.419 4.117 1839TIP3 H161506 4.197 3.365 4.165 1839TIP3 H261507 4.311 3.352 4.071 1840TIP3 OH261508 3.478 3.300 3.885 1840TIP3 H161509 3.394 3.284 3.839 1840TIP3 H261510 3.522 3.214 3.875 1840TIP3 OH261511 3.349 3.253 3.472 1840TIP3 H161512 3.409 3.315 3.425 1840TIP3 H261513 3.322 3.306 3.549 1840TIP3 OH261514 3.931 3.279 3.887 1840TIP3 H161515 4.020 3.316 3.872 1840TIP3 H261516 3.933 3.270 3.984 1840TIP3 OH261517 3.532 3.431 3.317 1840TIP3 H161518 3.597 3.380 3.266 1840TIP3 H261519 3.587 3.471 3.385 1840TIP3 OH261520 4.038 3.438 3.575 1840TIP3 H161521 4.069 3.384 3.651 1840TIP3 H261522 4.053 3.527 3.611 1SOD SOD61523 2.036 2.654 0.153 2SOD SOD61524 2.949 2.006 -1.899 3SOD SOD61525 -2.822 -1.822 -1.680 4SOD SOD61526 0.397 4.315 0.206 5SOD SOD61527 1.016 -1.430 -1.921 6SOD SOD61528 -2.856 -1.053 -0.754 7SOD SOD61529 0.094 0.370 4.192 8SOD SOD61530 2.908 -2.105 -2.933 9SOD SOD61531 -0.146 -3.133 -1.846 10SOD SOD61532 1.534 -0.498 1.891 11SOD SOD61533 -1.598 -2.489 1.463 12SOD SOD61534 -2.935 -1.085 -2.828 13SOD SOD61535 3.512 -1.722 1.006 14SOD SOD61536 -1.885 -3.724 1.031 15SOD SOD61537 -2.225 0.340 2.026 16SOD SOD61538 3.269 0.747 -0.948 17SOD SOD61539 3.158 -0.951 1.851 18SOD SOD61540 1.889 0.873 -1.924 19SOD SOD61541 -0.558 -0.850 3.619 20SOD SOD61542 0.858 1.305 -2.635 21SOD SOD61543 -3.209 3.370 1.664 22SOD SOD61544 -0.422 2.515 -4.272 23SOD SOD61545 -1.879 4.014 0.409 24SOD SOD61546 -3.358 -2.245 -3.811 25SOD SOD61547 -3.299 -0.324 1.475 26SOD SOD61548 -0.952 -2.303 -1.771 27SOD SOD61549 2.911 -1.052 -2.758 28SOD SOD61550 -0.267 -3.306 4.262 29SOD SOD61551 0.918 3.695 -1.899 30SOD SOD61552 -4.299 -0.431 -2.667 31SOD SOD61553 -0.718 1.652 2.890 32SOD SOD61554 -0.020 -2.170 0.131 33SOD SOD61555 3.200 0.124 2.221 34SOD SOD61556 3.427 1.930 -0.342 35SOD SOD61557 2.597 1.086 2.528 36SOD SOD61558 3.870 0.669 4.127 37SOD SOD61559 -4.168 -3.429 -1.413 38SOD SOD61560 0.551 -2.355 -0.171 39SOD SOD61561 -2.804 0.774 1.028 40SOD SOD61562 2.839 -3.487 3.061 41SOD SOD61563 0.475 -2.268 1.454 42SOD SOD61564 -0.047 2.795 -1.594 43SOD SOD61565 -3.119 1.785 -0.175 44SOD SOD61566 3.692 3.565 2.568 45SOD SOD61567 1.160 -2.677 0.405 46SOD SOD61568 2.182 2.098 -4.358 47SOD SOD61569 2.499 -3.552 3.622 48SOD SOD61570 -3.150 2.637 2.545 49SOD SOD61571 -3.611 -1.369 -0.304 50SOD SOD61572 3.179 4.217 -1.914 51SOD SOD61573 -1.544 3.385 3.985 52SOD SOD61574 3.906 3.226 3.286 53SOD SOD61575 -1.400 1.258 -2.542 54SOD SOD61576 0.624 4.043 2.421 55SOD SOD61577 -0.572 -3.952 2.807 56SOD SOD61578 -2.287 2.496 -1.486 57SOD SOD61579 -4.296 -1.353 4.117 58SOD SOD61580 4.009 2.333 -1.543 59SOD SOD61581 3.981 3.781 -3.393 60SOD SOD61582 -2.801 -0.902 2.131 61SOD SOD61583 0.054 2.141 -3.123 62SOD SOD61584 1.742 -1.695 -3.684 63SOD SOD61585 -1.328 3.677 3.172 64SOD SOD61586 2.023 -1.550 1.871 65SOD SOD61587 -3.781 1.811 2.706 66SOD SOD61588 -1.564 0.724 2.624 67SOD SOD61589 -1.457 -1.438 1.916 68SOD SOD61590 3.938 -1.495 -0.104 69SOD SOD61591 -4.177 0.685 -3.156 70SOD SOD61592 -3.475 -2.557 3.364 71SOD SOD61593 3.843 -1.704 1.945 72SOD SOD61594 -3.065 1.131 -3.142 73SOD SOD61595 2.911 3.091 3.254 74SOD SOD61596 -0.146 -3.447 -3.468 75SOD SOD61597 4.142 1.150 2.128 1CLA CLA61598 3.723 3.931 -0.432 2CLA CLA61599 0.598 -3.410 -1.411 3CLA CLA61600 0.305 -4.033 0.027 4CLA CLA61601 -2.918 -1.991 -2.129 5CLA CLA61602 3.212 2.681 -1.461 6CLA CLA61603 -1.276 3.890 3.970 7CLA CLA61604 -4.135 -0.631 -2.109 8CLA CLA61605 -4.010 1.992 2.188 9CLA CLA61606 -3.787 -1.064 -2.665 10CLA CLA61607 -2.251 4.155 1.278 11CLA CLA61608 3.522 3.373 -3.509 12CLA CLA61609 -4.010 0.565 -0.240 13CLA CLA61610 3.902 -1.240 -4.037 14CLA CLA61611 1.826 -3.945 2.374 15CLA CLA61612 0.618 4.143 -3.510 16CLA CLA61613 2.436 1.511 3.939 17CLA CLA61614 0.689 2.163 -1.864 18CLA CLA61615 2.174 0.614 3.695 19CLA CLA61616 3.731 -0.836 3.639 20CLA CLA61617 -0.300 -2.083 2.310 21CLA CLA61618 0.286 1.863 -2.782 22CLA CLA61619 0.444 -1.592 4.280 23CLA CLA61620 -3.682 -0.965 2.751 24CLA CLA61621 3.059 -2.653 -1.385 25CLA CLA61622 0.268 1.480 3.096 26CLA CLA61623 2.985 -1.145 -1.289 27CLA CLA61624 4.257 -1.638 3.915 28CLA CLA61625 2.109 2.268 2.707 29CLA CLA61626 3.148 2.184 -0.946 30CLA CLA61627 -4.279 3.311 -4.200 31CLA CLA61628 4.121 2.646 2.804 32CLA CLA61629 3.133 -2.321 3.087 33CLA CLA61630 -1.188 2.475 1.768 34CLA CLA61631 4.251 4.197 2.967 35CLA CLA61632 -2.115 -2.591 4.099 36CLA CLA61633 -1.664 3.340 -2.049 37CLA CLA61634 2.401 1.685 0.376 38CLA CLA61635 -0.304 -2.623 -0.695 39CLA CLA61636 -2.524 -2.953 -1.453 40CLA CLA61637 3.494 -2.888 -3.669 41CLA CLA61638 -3.591 -0.671 0.327 42CLA CLA61639 -3.097 0.461 -3.295 43CLA CLA61640 -0.581 1.524 4.242 44CLA CLA61641 3.940 1.881 -1.383 45CLA CLA61642 -1.581 2.921 -3.738 46CLA CLA61643 0.009 -3.649 -3.486 47CLA CLA61644 -1.288 -4.010 3.837 48CLA CLA61645 -2.419 1.919 3.696 49CLA CLA61646 1.622 -1.819 -2.941 50CLA CLA61647 3.465 -0.771 -3.287 51CLA CLA61648 -2.032 -3.900 0.685 52CLA CLA61649 -2.845 0.061 -2.584 0.00000 0.00000 0.00000