Mercurial > repos > chemteam > traj_selections_and_merge
view test-data/test.pdb @ 0:f4a1e92ca3d2 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7d8024bb5f0c425b5a2b37e389802ac250b73c60"
| author | chemteam |
|---|---|
| date | Thu, 11 Mar 2021 19:54:32 +0000 |
| parents | |
| children |
line wrap: on
line source
REMARK DIHEDRAL 6 0 7 11 $FC 60.0 REMARK DIHEDRAL 0 7 11 15 $FC -60.0 REMARK DIHEDRAL 7 11 15 4 $FC 60.0 REMARK DIHEDRAL 11 15 4 6 $FC -60.0 REMARK DIHEDRAL 15 4 6 0 $FC 60.0 REMARK DIHEDRAL 4 6 0 7 $FC -60.0 REMARK DATE: 10/24/19 2:43:11 CREATED BY USER: apache ATOM 1 C1 BGLC 1 -0.782 1.463 0.380 1.00 1.00 CARB ATOM 2 H1 BGLC 1 -0.775 1.400 1.492 1.00 0.00 CARB ATOM 3 O1 BGLC 1 -1.337 2.710 0.046 1.00 0.50 CARB ATOM 4 HO1 BGLC 1 -1.260 2.812 -0.905 1.00 0.00 CARB ATOM 5 C5 BGLC 1 1.162 0.073 0.328 1.00 1.00 CARB ATOM 6 H5 BGLC 1 1.149 0.033 1.445 1.00 0.00 CARB ATOM 7 O5 BGLC 1 0.554 1.297 -0.113 1.00 1.00 CARB ATOM 8 C2 BGLC 1 -1.643 0.339 -0.171 1.00 1.00 CARB ATOM 9 H2 BGLC 1 -1.610 0.391 -1.286 1.00 0.00 CARB ATOM 10 O2 BGLC 1 -3.001 0.466 0.233 1.00 0.50 CARB ATOM 11 HO2 BGLC 1 -3.560 0.732 -0.506 1.00 0.00 CARB ATOM 12 C3 BGLC 1 -1.070 -0.995 0.256 1.00 1.00 CARB ATOM 13 H3 BGLC 1 -1.072 -1.034 1.374 1.00 0.00 CARB ATOM 14 O3 BGLC 1 -1.854 -2.081 -0.221 1.00 0.50 CARB ATOM 15 HO3 BGLC 1 -2.383 -2.412 0.516 1.00 0.00 CARB ATOM 16 C4 BGLC 1 0.358 -1.094 -0.224 1.00 1.00 CARB ATOM 17 H4 BGLC 1 0.373 -1.035 -1.339 1.00 0.00 CARB ATOM 18 O4 BGLC 1 0.954 -2.322 0.160 1.00 0.50 CARB ATOM 19 HO4 BGLC 1 0.664 -2.977 -0.495 1.00 0.00 CARB ATOM 20 C6 BGLC 1 2.604 0.083 -0.133 1.00 1.00 CARB ATOM 21 H61 BGLC 1 3.112 -0.856 0.180 1.00 0.00 CARB ATOM 22 H62 BGLC 1 2.647 0.136 -1.245 1.00 0.00 CARB ATOM 23 O6 BGLC 1 3.319 1.187 0.412 1.00 0.50 CARB ATOM 24 HO6 BGLC 1 2.952 1.993 0.021 1.00 0.00 CARB ATOM 25 OH2 TIP3 1 -1.328 -3.419 -6.761 1.00 0.00 SOLV ATOM 26 H1 TIP3 1 -1.476 -2.452 -6.760 1.00 0.00 SOLV ATOM 27 H2 TIP3 1 -2.081 -3.717 -7.300 1.00 0.00 SOLV ATOM 28 OH2 TIP3 2 -2.751 -4.194 -2.655 1.00 0.00 SOLV ATOM 29 H1 TIP3 2 -2.410 -4.676 -1.878 1.00 0.00 SOLV ATOM 30 H2 TIP3 2 -3.191 -4.916 -3.149 1.00 0.00 SOLV ATOM 31 OH2 TIP3 3 -10.493 -4.811 -1.639 1.00 0.00 SOLV ATOM 32 H1 TIP3 3 -10.464 -5.550 -1.006 1.00 0.00 SOLV ATOM 33 H2 TIP3 3 -9.554 -4.703 -1.869 1.00 0.00 SOLV ATOM 34 OH2 TIP3 4 0.924 -1.390 -4.659 1.00 0.00 SOLV ATOM 35 H1 TIP3 4 0.549 -2.192 -4.247 1.00 0.00 SOLV ATOM 36 H2 TIP3 4 1.486 -1.067 -3.955 1.00 0.00 SOLV ATOM 37 OH2 TIP3 5 -9.421 0.213 -3.466 1.00 0.00 SOLV ATOM 38 H1 TIP3 5 -9.600 -0.715 -3.737 1.00 0.00 SOLV ATOM 39 H2 TIP3 5 -8.730 0.063 -2.806 1.00 0.00 SOLV ATOM 40 OH2 TIP3 6 -13.015 -6.771 -7.637 1.00 0.00 SOLV ATOM 41 H1 TIP3 6 -12.753 -5.927 -7.249 1.00 0.00 SOLV ATOM 42 H2 TIP3 6 -13.837 -6.959 -7.155 1.00 0.00 SOLV ATOM 43 OH2 TIP3 7 -11.908 -4.446 -5.293 1.00 0.00 SOLV ATOM 44 H1 TIP3 7 -11.483 -5.300 -5.075 1.00 0.00 SOLV ATOM 45 H2 TIP3 7 -11.161 -3.835 -5.322 1.00 0.00 SOLV ATOM 46 OH2 TIP3 8 -1.850 4.034 -4.410 1.00 0.00 SOLV ATOM 47 H1 TIP3 8 -1.485 3.263 -4.889 1.00 0.00 SOLV ATOM 48 H2 TIP3 8 -2.319 3.641 -3.665 1.00 0.00 SOLV ATOM 49 OH2 TIP3 9 -3.889 -1.683 -2.187 1.00 0.00 SOLV ATOM 50 H1 TIP3 9 -3.574 -2.521 -2.585 1.00 0.00 SOLV ATOM 51 H2 TIP3 9 -3.180 -1.565 -1.530 1.00 0.00 SOLV ATOM 52 OH2 TIP3 10 4.717 -10.280 -1.662 1.00 0.00 SOLV ATOM 53 H1 TIP3 10 4.865 -9.558 -1.020 1.00 0.00 SOLV ATOM 54 H2 TIP3 10 5.323 -10.024 -2.384 1.00 0.00 SOLV ATOM 55 OH2 TIP3 11 -1.084 -7.429 -2.536 1.00 0.00 SOLV ATOM 56 H1 TIP3 11 -0.997 -8.398 -2.394 1.00 0.00 SOLV ATOM 57 H2 TIP3 11 -1.311 -7.418 -3.486 1.00 0.00 SOLV ATOM 58 OH2 TIP3 12 -7.587 -9.418 -5.123 1.00 0.00 SOLV ATOM 59 H1 TIP3 12 -7.565 -8.554 -5.584 1.00 0.00 SOLV ATOM 60 H2 TIP3 12 -8.016 -9.970 -5.806 1.00 0.00 SOLV ATOM 61 OH2 TIP3 13 0.096 -9.008 -6.840 1.00 0.00 SOLV ATOM 62 H1 TIP3 13 0.581 -9.248 -6.011 1.00 0.00 SOLV ATOM 63 H2 TIP3 13 0.815 -8.572 -7.338 1.00 0.00 SOLV ATOM 64 OH2 TIP3 14 -10.874 -6.888 -4.623 1.00 0.00 SOLV ATOM 65 H1 TIP3 14 -10.349 -7.478 -4.047 1.00 0.00 SOLV ATOM 66 H2 TIP3 14 -10.752 -7.324 -5.494 1.00 0.00 SOLV ATOM 67 OH2 TIP3 15 -6.499 -5.457 -4.649 1.00 0.00 SOLV ATOM 68 H1 TIP3 15 -5.605 -5.788 -4.420 1.00 0.00 SOLV ATOM 69 H2 TIP3 15 -6.824 -6.152 -5.261 1.00 0.00 SOLV ATOM 70 OH2 TIP3 16 4.984 -8.526 0.548 1.00 0.00 SOLV ATOM 71 H1 TIP3 16 4.220 -7.958 0.308 1.00 0.00 SOLV ATOM 72 H2 TIP3 16 5.050 -8.342 1.500 1.00 0.00 SOLV ATOM 73 OH2 TIP3 17 -9.153 -10.247 -0.869 1.00 0.00 SOLV ATOM 74 H1 TIP3 17 -9.474 -9.719 -1.624 1.00 0.00 SOLV ATOM 75 H2 TIP3 17 -9.815 -10.024 -0.182 1.00 0.00 SOLV ATOM 76 OH2 TIP3 18 -1.832 -0.805 -7.507 1.00 0.00 SOLV ATOM 77 H1 TIP3 18 -2.073 -0.871 -8.455 1.00 0.00 SOLV ATOM 78 H2 TIP3 18 -2.333 -0.006 -7.249 1.00 0.00 SOLV ATOM 79 OH2 TIP3 19 -6.390 -2.509 -1.253 1.00 0.00 SOLV ATOM 80 H1 TIP3 19 -6.948 -1.775 -0.908 1.00 0.00 SOLV ATOM 81 H2 TIP3 19 -5.595 -2.024 -1.560 1.00 0.00 SOLV ATOM 82 OH2 TIP3 20 1.435 -9.457 -4.594 1.00 0.00 SOLV ATOM 83 H1 TIP3 20 1.441 -10.309 -4.112 1.00 0.00 SOLV ATOM 84 H2 TIP3 20 1.838 -8.864 -3.929 1.00 0.00 SOLV ATOM 85 OH2 TIP3 21 -9.357 -8.696 -3.163 1.00 0.00 SOLV ATOM 86 H1 TIP3 21 -8.769 -8.111 -2.635 1.00 0.00 SOLV ATOM 87 H2 TIP3 21 -8.709 -9.057 -3.811 1.00 0.00 SOLV ATOM 88 OH2 TIP3 22 -8.007 -0.437 -0.325 1.00 0.00 SOLV ATOM 89 H1 TIP3 22 -7.920 0.536 -0.247 1.00 0.00 SOLV ATOM 90 H2 TIP3 22 -8.922 -0.550 0.002 1.00 0.00 SOLV ATOM 91 OH2 TIP3 23 -11.441 -1.187 -9.053 1.00 0.00 SOLV ATOM 92 H1 TIP3 23 -11.791 -0.694 -9.819 1.00 0.00 SOLV ATOM 93 H2 TIP3 23 -11.912 -0.790 -8.311 1.00 0.00 SOLV ATOM 94 OH2 TIP3 24 2.237 -10.976 -0.624 1.00 0.00 SOLV ATOM 95 H1 TIP3 24 1.569 -11.044 -1.327 1.00 0.00 SOLV ATOM 96 H2 TIP3 24 3.030 -10.770 -1.165 1.00 0.00 SOLV ATOM 97 OH2 TIP3 25 -5.503 -12.769 -4.226 1.00 0.00 SOLV ATOM 98 H1 TIP3 25 -5.181 -13.687 -4.069 1.00 0.00 SOLV ATOM 99 H2 TIP3 25 -6.265 -12.722 -3.627 1.00 0.00 SOLV ATOM 100 OH2 TIP3 26 -0.477 2.432 -6.311 1.00 0.00 SOLV ATOM 101 H1 TIP3 26 -0.049 1.565 -6.505 1.00 0.00 SOLV ATOM 102 H2 TIP3 26 0.335 2.985 -6.219 1.00 0.00 SOLV ATOM 103 OH2 TIP3 27 0.766 0.103 -6.960 1.00 0.00 SOLV ATOM 104 H1 TIP3 27 0.020 -0.373 -7.359 1.00 0.00 SOLV ATOM 105 H2 TIP3 27 0.929 -0.449 -6.165 1.00 0.00 SOLV ATOM 106 OH2 TIP3 28 -2.945 -4.224 -8.912 1.00 0.00 SOLV ATOM 107 H1 TIP3 28 -3.634 -3.572 -9.158 1.00 0.00 SOLV ATOM 108 H2 TIP3 28 -2.366 -4.202 -9.692 1.00 0.00 SOLV ATOM 109 OH2 TIP3 29 -2.911 -5.817 -12.225 1.00 0.00 SOLV ATOM 110 H1 TIP3 29 -2.192 -5.518 -11.641 1.00 0.00 SOLV ATOM 111 H2 TIP3 29 -2.434 -6.106 -13.009 1.00 0.00 SOLV ATOM 112 OH2 TIP3 30 4.083 -4.413 -0.627 1.00 0.00 SOLV ATOM 113 H1 TIP3 30 3.580 -3.592 -0.698 1.00 0.00 SOLV ATOM 114 H2 TIP3 30 4.711 -4.302 -1.375 1.00 0.00 SOLV ATOM 115 OH2 TIP3 31 0.711 -4.038 -8.452 1.00 0.00 SOLV ATOM 116 H1 TIP3 31 0.026 -3.809 -7.779 1.00 0.00 SOLV ATOM 117 H2 TIP3 31 1.373 -4.466 -7.874 1.00 0.00 SOLV ATOM 118 OH2 TIP3 32 0.312 -5.962 1.348 1.00 0.00 SOLV ATOM 119 H1 TIP3 32 0.288 -5.151 1.900 1.00 0.00 SOLV ATOM 120 H2 TIP3 32 -0.376 -5.746 0.678 1.00 0.00 SOLV ATOM 121 OH2 TIP3 33 -7.884 -3.548 -6.107 1.00 0.00 SOLV ATOM 122 H1 TIP3 33 -8.126 -3.979 -6.959 1.00 0.00 SOLV ATOM 123 H2 TIP3 33 -7.345 -4.242 -5.674 1.00 0.00 SOLV ATOM 124 OH2 TIP3 34 -6.178 0.318 -3.586 1.00 0.00 SOLV ATOM 125 H1 TIP3 34 -6.452 0.202 -4.513 1.00 0.00 SOLV ATOM 126 H2 TIP3 34 -5.500 -0.364 -3.466 1.00 0.00 SOLV ATOM 127 OH2 TIP3 35 -7.894 -4.467 -2.468 1.00 0.00 SOLV ATOM 128 H1 TIP3 35 -7.349 -4.726 -3.245 1.00 0.00 SOLV ATOM 129 H2 TIP3 35 -7.328 -3.782 -2.044 1.00 0.00 SOLV ATOM 130 OH2 TIP3 36 -6.691 -0.819 2.255 1.00 0.00 SOLV ATOM 131 H1 TIP3 36 -7.198 -0.063 2.619 1.00 0.00 SOLV ATOM 132 H2 TIP3 36 -6.992 -0.799 1.336 1.00 0.00 SOLV ATOM 133 OH2 TIP3 37 -0.684 -4.942 -10.620 1.00 0.00 SOLV ATOM 134 H1 TIP3 37 -0.159 -4.560 -9.877 1.00 0.00 SOLV ATOM 135 H2 TIP3 37 -0.228 -4.533 -11.391 1.00 0.00 SOLV ATOM 136 OH2 TIP3 38 -9.779 -4.332 1.770 1.00 0.00 SOLV ATOM 137 H1 TIP3 38 -9.642 -3.459 2.197 1.00 0.00 SOLV ATOM 138 H2 TIP3 38 -10.720 -4.260 1.543 1.00 0.00 SOLV ATOM 139 OH2 TIP3 39 -3.076 1.691 -7.126 1.00 0.00 SOLV ATOM 140 H1 TIP3 39 -2.259 2.134 -6.833 1.00 0.00 SOLV ATOM 141 H2 TIP3 39 -3.255 2.132 -7.972 1.00 0.00 SOLV ATOM 142 OH2 TIP3 40 -8.528 1.210 2.646 1.00 0.00 SOLV ATOM 143 H1 TIP3 40 -8.423 1.755 1.846 1.00 0.00 SOLV ATOM 144 H2 TIP3 40 -9.377 1.504 3.012 1.00 0.00 SOLV ATOM 145 OH2 TIP3 41 3.228 -12.753 -10.054 1.00 0.00 SOLV ATOM 146 H1 TIP3 41 2.262 -12.697 -10.170 1.00 0.00 SOLV ATOM 147 H2 TIP3 41 3.552 -12.006 -10.608 1.00 0.00 SOLV ATOM 148 OH2 TIP3 42 -8.570 -4.535 -8.626 1.00 0.00 SOLV ATOM 149 H1 TIP3 42 -9.110 -3.940 -9.192 1.00 0.00 SOLV ATOM 150 H2 TIP3 42 -8.902 -5.397 -8.897 1.00 0.00 SOLV ATOM 151 OH2 TIP3 43 4.314 1.489 -11.915 1.00 0.00 SOLV ATOM 152 H1 TIP3 43 4.527 2.417 -12.122 1.00 0.00 SOLV ATOM 153 H2 TIP3 43 5.188 1.057 -11.958 1.00 0.00 SOLV ATOM 154 OH2 TIP3 44 -12.531 -2.276 0.310 1.00 0.00 SOLV ATOM 155 H1 TIP3 44 -13.147 -2.459 -0.423 1.00 0.00 SOLV ATOM 156 H2 TIP3 44 -12.616 -3.093 0.834 1.00 0.00 SOLV ATOM 157 OH2 TIP3 45 -12.646 0.944 -2.748 1.00 0.00 SOLV ATOM 158 H1 TIP3 45 -11.866 0.618 -3.218 1.00 0.00 SOLV ATOM 159 H2 TIP3 45 -12.239 1.258 -1.914 1.00 0.00 SOLV ATOM 160 OH2 TIP3 46 5.450 2.115 3.280 1.00 0.00 SOLV ATOM 161 H1 TIP3 46 5.227 1.668 2.456 1.00 0.00 SOLV ATOM 162 H2 TIP3 46 4.545 2.243 3.644 1.00 0.00 SOLV ATOM 163 OH2 TIP3 47 -3.312 4.488 -8.546 1.00 0.00 SOLV ATOM 164 H1 TIP3 47 -3.364 4.544 -9.524 1.00 0.00 SOLV ATOM 165 H2 TIP3 47 -3.592 5.381 -8.279 1.00 0.00 SOLV ATOM 166 OH2 TIP3 48 -9.515 4.326 -6.393 1.00 0.00 SOLV ATOM 167 H1 TIP3 48 -9.370 3.886 -5.525 1.00 0.00 SOLV ATOM 168 H2 TIP3 48 -10.035 3.607 -6.828 1.00 0.00 SOLV ATOM 169 OH2 TIP3 49 -0.595 4.197 -11.437 1.00 0.00 SOLV ATOM 170 H1 TIP3 49 -0.035 3.479 -11.803 1.00 0.00 SOLV ATOM 171 H2 TIP3 49 -0.423 4.090 -10.484 1.00 0.00 SOLV ATOM 172 OH2 TIP3 50 -0.581 4.123 -8.680 1.00 0.00 SOLV ATOM 173 H1 TIP3 50 -1.552 4.186 -8.568 1.00 0.00 SOLV ATOM 174 H2 TIP3 50 -0.349 3.489 -7.980 1.00 0.00 SOLV ATOM 175 OH2 TIP3 51 2.142 -7.087 3.307 1.00 0.00 SOLV ATOM 176 H1 TIP3 51 1.497 -6.702 2.688 1.00 0.00 SOLV ATOM 177 H2 TIP3 51 2.148 -8.023 3.028 1.00 0.00 SOLV ATOM 178 OH2 TIP3 52 -10.582 -0.413 0.780 1.00 0.00 SOLV ATOM 179 H1 TIP3 52 -10.251 -0.793 1.620 1.00 0.00 SOLV ATOM 180 H2 TIP3 52 -11.294 -1.062 0.564 1.00 0.00 SOLV ATOM 181 OH2 TIP3 53 -8.006 -12.380 -2.307 1.00 0.00 SOLV ATOM 182 H1 TIP3 53 -8.708 -12.430 -2.996 1.00 0.00 SOLV ATOM 183 H2 TIP3 53 -8.353 -11.637 -1.777 1.00 0.00 SOLV ATOM 184 OH2 TIP3 54 -3.544 -12.178 1.720 1.00 0.00 SOLV ATOM 185 H1 TIP3 54 -3.345 -13.005 2.212 1.00 0.00 SOLV ATOM 186 H2 TIP3 54 -4.273 -12.471 1.141 1.00 0.00 SOLV ATOM 187 OH2 TIP3 55 -0.360 -8.669 1.494 1.00 0.00 SOLV ATOM 188 H1 TIP3 55 -0.930 -8.771 2.292 1.00 0.00 SOLV ATOM 189 H2 TIP3 55 -0.252 -7.699 1.436 1.00 0.00 SOLV ATOM 190 OH2 TIP3 56 0.463 -3.875 -12.885 1.00 0.00 SOLV ATOM 191 H1 TIP3 56 -0.197 -3.608 -13.564 1.00 0.00 SOLV ATOM 192 H2 TIP3 56 0.817 -2.994 -12.653 1.00 0.00 SOLV ATOM 193 OH2 TIP3 57 -3.394 -10.169 -11.891 1.00 0.00 SOLV ATOM 194 H1 TIP3 57 -3.910 -10.419 -11.101 1.00 0.00 SOLV ATOM 195 H2 TIP3 57 -4.117 -9.901 -12.476 1.00 0.00 SOLV ATOM 196 OH2 TIP3 58 -7.901 -7.051 -1.494 1.00 0.00 SOLV ATOM 197 H1 TIP3 58 -8.588 -7.016 -0.793 1.00 0.00 SOLV ATOM 198 H2 TIP3 58 -7.888 -6.118 -1.792 1.00 0.00 SOLV ATOM 199 OH2 TIP3 59 -7.853 -7.075 -6.478 1.00 0.00 SOLV ATOM 200 H1 TIP3 59 -8.820 -7.140 -6.591 1.00 0.00 SOLV ATOM 201 H2 TIP3 59 -7.573 -7.329 -7.385 1.00 0.00 SOLV ATOM 202 OH2 TIP3 60 -2.427 -6.706 -7.842 1.00 0.00 SOLV ATOM 203 H1 TIP3 60 -2.647 -5.802 -8.163 1.00 0.00 SOLV ATOM 204 H2 TIP3 60 -1.761 -6.988 -8.494 1.00 0.00 SOLV ATOM 205 OH2 TIP3 61 -3.118 -6.595 3.165 1.00 0.00 SOLV ATOM 206 H1 TIP3 61 -3.582 -7.348 3.591 1.00 0.00 SOLV ATOM 207 H2 TIP3 61 -2.298 -6.575 3.698 1.00 0.00 SOLV ATOM 208 OH2 TIP3 62 -1.487 -7.349 -5.265 1.00 0.00 SOLV ATOM 209 H1 TIP3 62 -1.911 -6.937 -6.046 1.00 0.00 SOLV ATOM 210 H2 TIP3 62 -0.999 -8.062 -5.723 1.00 0.00 SOLV ATOM 211 OH2 TIP3 63 -10.067 -6.964 0.186 1.00 0.00 SOLV ATOM 212 H1 TIP3 63 -10.015 -6.466 1.015 1.00 0.00 SOLV ATOM 213 H2 TIP3 63 -10.428 -7.822 0.495 1.00 0.00 SOLV ATOM 214 OH2 TIP3 64 -6.091 -9.162 -13.233 1.00 0.00 SOLV ATOM 215 H1 TIP3 64 -6.609 -9.579 -12.519 1.00 0.00 SOLV ATOM 216 H2 TIP3 64 -6.739 -8.534 -13.595 1.00 0.00 SOLV ATOM 217 OH2 TIP3 65 -12.976 -10.182 -6.325 1.00 0.00 SOLV ATOM 218 H1 TIP3 65 -12.615 -10.199 -5.410 1.00 0.00 SOLV ATOM 219 H2 TIP3 65 -12.393 -9.509 -6.697 1.00 0.00 SOLV ATOM 220 OH2 TIP3 66 -12.428 -8.755 -10.567 1.00 0.00 SOLV ATOM 221 H1 TIP3 66 -11.671 -8.268 -10.946 1.00 0.00 SOLV ATOM 222 H2 TIP3 66 -13.038 -8.708 -11.314 1.00 0.00 SOLV ATOM 223 OH2 TIP3 67 -1.733 -5.756 -0.528 1.00 0.00 SOLV ATOM 224 H1 TIP3 67 -1.391 -6.347 -1.243 1.00 0.00 SOLV ATOM 225 H2 TIP3 67 -2.424 -6.337 -0.146 1.00 0.00 SOLV ATOM 226 OH2 TIP3 68 -4.765 -9.255 -5.581 1.00 0.00 SOLV ATOM 227 H1 TIP3 68 -5.671 -9.490 -5.305 1.00 0.00 SOLV ATOM 228 H2 TIP3 68 -4.225 -9.797 -4.972 1.00 0.00 SOLV ATOM 229 OH2 TIP3 69 -10.426 -8.001 -7.084 1.00 0.00 SOLV ATOM 230 H1 TIP3 69 -11.083 -7.780 -7.770 1.00 0.00 SOLV ATOM 231 H2 TIP3 69 -10.059 -8.861 -7.379 1.00 0.00 SOLV ATOM 232 OH2 TIP3 70 -7.271 -7.935 -8.997 1.00 0.00 SOLV ATOM 233 H1 TIP3 70 -6.300 -7.935 -8.861 1.00 0.00 SOLV ATOM 234 H2 TIP3 70 -7.381 -7.396 -9.815 1.00 0.00 SOLV ATOM 235 OH2 TIP3 71 -1.302 -10.125 -2.282 1.00 0.00 SOLV ATOM 236 H1 TIP3 71 -1.799 -10.174 -1.443 1.00 0.00 SOLV ATOM 237 H2 TIP3 71 -1.925 -10.520 -2.917 1.00 0.00 SOLV ATOM 238 OH2 TIP3 72 -7.853 -6.612 -11.276 1.00 0.00 SOLV ATOM 239 H1 TIP3 72 -8.591 -6.811 -11.869 1.00 0.00 SOLV ATOM 240 H2 TIP3 72 -7.147 -6.336 -11.897 1.00 0.00 SOLV ATOM 241 OH2 TIP3 73 2.636 5.209 4.067 1.00 0.00 SOLV ATOM 242 H1 TIP3 73 2.914 5.637 3.239 1.00 0.00 SOLV ATOM 243 H2 TIP3 73 3.357 5.459 4.674 1.00 0.00 SOLV ATOM 244 OH2 TIP3 74 -9.751 -1.890 3.126 1.00 0.00 SOLV ATOM 245 H1 TIP3 74 -8.965 -1.753 3.684 1.00 0.00 SOLV ATOM 246 H2 TIP3 74 -10.462 -1.806 3.791 1.00 0.00 SOLV ATOM 247 OH2 TIP3 75 -4.068 -6.488 -3.645 1.00 0.00 SOLV ATOM 248 H1 TIP3 75 -3.518 -7.086 -4.176 1.00 0.00 SOLV ATOM 249 H2 TIP3 75 -4.410 -7.097 -2.955 1.00 0.00 SOLV ATOM 250 OH2 TIP3 76 -9.110 -10.499 -7.261 1.00 0.00 SOLV ATOM 251 H1 TIP3 76 -9.696 -11.277 -7.164 1.00 0.00 SOLV ATOM 252 H2 TIP3 76 -8.293 -10.916 -7.578 1.00 0.00 SOLV ATOM 253 OH2 TIP3 77 -5.283 -7.935 -1.604 1.00 0.00 SOLV ATOM 254 H1 TIP3 77 -6.138 -7.473 -1.484 1.00 0.00 SOLV ATOM 255 H2 TIP3 77 -4.766 -7.666 -0.815 1.00 0.00 SOLV ATOM 256 OH2 TIP3 78 -4.870 -2.301 -9.572 1.00 0.00 SOLV ATOM 257 H1 TIP3 78 -5.568 -2.768 -10.084 1.00 0.00 SOLV ATOM 258 H2 TIP3 78 -5.353 -2.109 -8.733 1.00 0.00 SOLV ATOM 259 OH2 TIP3 79 -0.709 -9.540 -11.746 1.00 0.00 SOLV ATOM 260 H1 TIP3 79 -1.656 -9.783 -11.859 1.00 0.00 SOLV ATOM 261 H2 TIP3 79 -0.767 -8.795 -11.119 1.00 0.00 SOLV ATOM 262 OH2 TIP3 80 -0.455 -7.576 -9.771 1.00 0.00 SOLV ATOM 263 H1 TIP3 80 0.431 -7.633 -9.366 1.00 0.00 SOLV ATOM 264 H2 TIP3 80 -0.437 -6.678 -10.165 1.00 0.00 SOLV ATOM 265 OH2 TIP3 81 -9.409 -2.506 -4.064 1.00 0.00 SOLV ATOM 266 H1 TIP3 81 -8.906 -2.789 -4.856 1.00 0.00 SOLV ATOM 267 H2 TIP3 81 -9.106 -3.153 -3.409 1.00 0.00 SOLV ATOM 268 OH2 TIP3 82 -2.715 -0.821 -10.086 1.00 0.00 SOLV ATOM 269 H1 TIP3 82 -3.057 0.101 -10.057 1.00 0.00 SOLV ATOM 270 H2 TIP3 82 -3.542 -1.339 -9.964 1.00 0.00 SOLV ATOM 271 OH2 TIP3 83 -12.718 -4.503 1.983 1.00 0.00 SOLV ATOM 272 H1 TIP3 83 -12.360 -4.876 2.816 1.00 0.00 SOLV ATOM 273 H2 TIP3 83 -13.470 -5.102 1.794 1.00 0.00 SOLV ATOM 274 OH2 TIP3 84 -5.227 -4.869 3.526 1.00 0.00 SOLV ATOM 275 H1 TIP3 84 -5.820 -5.113 2.798 1.00 0.00 SOLV ATOM 276 H2 TIP3 84 -4.423 -5.385 3.309 1.00 0.00 SOLV ATOM 277 OH2 TIP3 85 4.344 -6.984 -9.928 1.00 0.00 SOLV ATOM 278 H1 TIP3 85 3.983 -7.202 -10.823 1.00 0.00 SOLV ATOM 279 H2 TIP3 85 4.539 -6.036 -10.097 1.00 0.00 SOLV ATOM 280 OH2 TIP3 86 4.662 -1.369 2.694 1.00 0.00 SOLV ATOM 281 H1 TIP3 86 4.032 -0.647 2.569 1.00 0.00 SOLV ATOM 282 H2 TIP3 86 5.141 -1.387 1.836 1.00 0.00 SOLV ATOM 283 OH2 TIP3 87 3.201 1.637 -9.403 1.00 0.00 SOLV ATOM 284 H1 TIP3 87 2.533 0.963 -9.227 1.00 0.00 SOLV ATOM 285 H2 TIP3 87 3.442 1.456 -10.336 1.00 0.00 SOLV ATOM 286 OH2 TIP3 88 0.151 -3.451 -2.917 1.00 0.00 SOLV ATOM 287 H1 TIP3 88 -0.811 -3.587 -2.878 1.00 0.00 SOLV ATOM 288 H2 TIP3 88 0.444 -4.252 -3.397 1.00 0.00 SOLV ATOM 289 OH2 TIP3 89 -7.178 0.608 -6.301 1.00 0.00 SOLV ATOM 290 H1 TIP3 89 -6.898 0.851 -7.195 1.00 0.00 SOLV ATOM 291 H2 TIP3 89 -8.136 0.521 -6.399 1.00 0.00 SOLV ATOM 292 OH2 TIP3 90 -11.945 -4.474 -11.813 1.00 0.00 SOLV ATOM 293 H1 TIP3 90 -11.270 -4.000 -11.279 1.00 0.00 SOLV ATOM 294 H2 TIP3 90 -12.773 -4.137 -11.427 1.00 0.00 SOLV ATOM 295 OH2 TIP3 91 -6.258 -1.752 -7.358 1.00 0.00 SOLV ATOM 296 H1 TIP3 91 -6.439 -1.001 -6.773 1.00 0.00 SOLV ATOM 297 H2 TIP3 91 -6.828 -2.437 -6.953 1.00 0.00 SOLV ATOM 298 OH2 TIP3 92 -5.058 2.675 -0.460 1.00 0.00 SOLV ATOM 299 H1 TIP3 92 -4.415 3.314 -0.835 1.00 0.00 SOLV ATOM 300 H2 TIP3 92 -4.651 2.495 0.404 1.00 0.00 SOLV ATOM 301 OH2 TIP3 93 -6.875 3.389 -7.313 1.00 0.00 SOLV ATOM 302 H1 TIP3 93 -7.435 2.958 -6.647 1.00 0.00 SOLV ATOM 303 H2 TIP3 93 -5.996 3.276 -6.920 1.00 0.00 SOLV ATOM 304 OH2 TIP3 94 0.801 -1.107 -12.390 1.00 0.00 SOLV ATOM 305 H1 TIP3 94 1.040 -1.172 -11.435 1.00 0.00 SOLV ATOM 306 H2 TIP3 94 -0.155 -0.885 -12.345 1.00 0.00 SOLV ATOM 307 OH2 TIP3 95 5.046 4.178 -11.996 1.00 0.00 SOLV ATOM 308 H1 TIP3 95 5.678 4.839 -11.647 1.00 0.00 SOLV ATOM 309 H2 TIP3 95 4.215 4.561 -11.638 1.00 0.00 SOLV ATOM 310 OH2 TIP3 96 -10.896 -9.434 1.236 1.00 0.00 SOLV ATOM 311 H1 TIP3 96 -11.681 -9.100 1.725 1.00 0.00 SOLV ATOM 312 H2 TIP3 96 -10.718 -10.241 1.752 1.00 0.00 SOLV ATOM 313 OH2 TIP3 97 1.641 -1.802 -9.937 1.00 0.00 SOLV ATOM 314 H1 TIP3 97 1.211 -2.480 -9.386 1.00 0.00 SOLV ATOM 315 H2 TIP3 97 2.562 -1.863 -9.620 1.00 0.00 SOLV ATOM 316 OH2 TIP3 98 -11.295 2.047 -0.566 1.00 0.00 SOLV ATOM 317 H1 TIP3 98 -11.009 1.237 -0.092 1.00 0.00 SOLV ATOM 318 H2 TIP3 98 -11.082 2.735 0.085 1.00 0.00 SOLV ATOM 319 OH2 TIP3 99 -4.922 0.164 -13.084 1.00 0.00 SOLV ATOM 320 H1 TIP3 99 -5.112 -0.273 -13.929 1.00 0.00 SOLV ATOM 321 H2 TIP3 99 -5.795 0.158 -12.662 1.00 0.00 SOLV ATOM 322 OH2 TIP3 100 -6.831 0.357 -10.576 1.00 0.00 SOLV ATOM 323 H1 TIP3 100 -6.165 -0.134 -10.086 1.00 0.00 SOLV ATOM 324 H2 TIP3 100 -6.558 1.289 -10.435 1.00 0.00 SOLV ATOM 325 OH2 TIP3 101 -10.026 -3.067 -10.420 1.00 0.00 SOLV ATOM 326 H1 TIP3 101 -10.450 -2.344 -9.899 1.00 0.00 SOLV ATOM 327 H2 TIP3 101 -9.542 -2.576 -11.109 1.00 0.00 SOLV ATOM 328 OH2 TIP3 102 -2.469 -10.055 0.259 1.00 0.00 SOLV ATOM 329 H1 TIP3 102 -1.628 -9.813 0.693 1.00 0.00 SOLV ATOM 330 H2 TIP3 102 -2.786 -10.806 0.807 1.00 0.00 SOLV ATOM 331 OH2 TIP3 103 -1.221 -10.542 -8.634 1.00 0.00 SOLV ATOM 332 H1 TIP3 103 -1.280 -9.867 -9.326 1.00 0.00 SOLV ATOM 333 H2 TIP3 103 -0.800 -10.014 -7.916 1.00 0.00 SOLV ATOM 334 OH2 TIP3 104 -3.722 1.687 -10.054 1.00 0.00 SOLV ATOM 335 H1 TIP3 104 -4.556 2.196 -10.031 1.00 0.00 SOLV ATOM 336 H2 TIP3 104 -3.370 1.969 -10.923 1.00 0.00 SOLV ATOM 337 OH2 TIP3 105 -4.685 -8.248 -8.105 1.00 0.00 SOLV ATOM 338 H1 TIP3 105 -3.911 -7.649 -8.031 1.00 0.00 SOLV ATOM 339 H2 TIP3 105 -4.724 -8.578 -7.177 1.00 0.00 SOLV ATOM 340 OH2 TIP3 106 -3.591 -7.476 0.539 1.00 0.00 SOLV ATOM 341 H1 TIP3 106 -3.499 -7.242 1.485 1.00 0.00 SOLV ATOM 342 H2 TIP3 106 -3.288 -8.409 0.522 1.00 0.00 SOLV ATOM 343 OH2 TIP3 107 -3.481 -11.775 -7.607 1.00 0.00 SOLV ATOM 344 H1 TIP3 107 -3.450 -11.349 -6.738 1.00 0.00 SOLV ATOM 345 H2 TIP3 107 -2.678 -11.391 -8.022 1.00 0.00 SOLV ATOM 346 OH2 TIP3 108 -6.136 2.942 -9.953 1.00 0.00 SOLV ATOM 347 H1 TIP3 108 -6.147 3.834 -10.365 1.00 0.00 SOLV ATOM 348 H2 TIP3 108 -6.419 3.143 -9.043 1.00 0.00 SOLV ATOM 349 OH2 TIP3 109 -7.513 -10.093 -10.878 1.00 0.00 SOLV ATOM 350 H1 TIP3 109 -7.689 -9.384 -10.233 1.00 0.00 SOLV ATOM 351 H2 TIP3 109 -6.699 -10.472 -10.490 1.00 0.00 SOLV ATOM 352 OH2 TIP3 110 2.170 -9.553 1.836 1.00 0.00 SOLV ATOM 353 H1 TIP3 110 1.212 -9.371 1.730 1.00 0.00 SOLV ATOM 354 H2 TIP3 110 2.360 -9.873 0.933 1.00 0.00 SOLV ATOM 355 OH2 TIP3 111 0.891 -5.817 -4.276 1.00 0.00 SOLV ATOM 356 H1 TIP3 111 0.053 -6.286 -4.430 1.00 0.00 SOLV ATOM 357 H2 TIP3 111 1.367 -6.449 -3.696 1.00 0.00 SOLV ATOM 358 OH2 TIP3 112 -9.327 0.255 -11.721 1.00 0.00 SOLV ATOM 359 H1 TIP3 112 -8.493 0.325 -11.204 1.00 0.00 SOLV ATOM 360 H2 TIP3 112 -9.074 -0.521 -12.260 1.00 0.00 SOLV ATOM 361 OH2 TIP3 113 -10.950 -7.139 -12.294 1.00 0.00 SOLV ATOM 362 H1 TIP3 113 -11.180 -6.195 -12.208 1.00 0.00 SOLV ATOM 363 H2 TIP3 113 -10.956 -7.257 -13.261 1.00 0.00 SOLV ATOM 364 OH2 TIP3 114 2.336 3.703 -2.429 1.00 0.00 SOLV ATOM 365 H1 TIP3 114 2.168 4.366 -3.131 1.00 0.00 SOLV ATOM 366 H2 TIP3 114 3.316 3.695 -2.415 1.00 0.00 SOLV ATOM 367 OH2 TIP3 115 -10.145 -12.514 -4.077 1.00 0.00 SOLV ATOM 368 H1 TIP3 115 -10.223 -12.449 -5.051 1.00 0.00 SOLV ATOM 369 H2 TIP3 115 -10.525 -13.411 -3.963 1.00 0.00 SOLV ATOM 370 OH2 TIP3 116 -10.824 2.284 -7.529 1.00 0.00 SOLV ATOM 371 H1 TIP3 116 -11.619 2.390 -6.973 1.00 0.00 SOLV ATOM 372 H2 TIP3 116 -11.147 2.519 -8.424 1.00 0.00 SOLV ATOM 373 OH2 TIP3 117 -11.656 4.481 4.034 1.00 0.00 SOLV ATOM 374 H1 TIP3 117 -11.068 4.393 4.810 1.00 0.00 SOLV ATOM 375 H2 TIP3 117 -11.611 3.556 3.711 1.00 0.00 SOLV ATOM 376 OH2 TIP3 118 -3.349 2.354 -12.728 1.00 0.00 SOLV ATOM 377 H1 TIP3 118 -4.008 1.647 -12.906 1.00 0.00 SOLV ATOM 378 H2 TIP3 118 -2.787 2.255 -13.512 1.00 0.00 SOLV ATOM 379 OH2 TIP3 119 -0.284 0.799 3.908 1.00 0.00 SOLV ATOM 380 H1 TIP3 119 -0.981 0.304 4.384 1.00 0.00 SOLV ATOM 381 H2 TIP3 119 -0.021 1.417 4.605 1.00 0.00 SOLV ATOM 382 OH2 TIP3 120 1.110 2.233 -12.334 1.00 0.00 SOLV ATOM 383 H1 TIP3 120 1.415 1.326 -12.461 1.00 0.00 SOLV ATOM 384 H2 TIP3 120 1.681 2.731 -12.951 1.00 0.00 SOLV ATOM 385 OH2 TIP3 121 -11.956 -2.146 4.820 1.00 0.00 SOLV ATOM 386 H1 TIP3 121 -11.721 -3.091 4.764 1.00 0.00 SOLV ATOM 387 H2 TIP3 121 -12.840 -2.178 4.400 1.00 0.00 SOLV ATOM 388 OH2 TIP3 122 -8.316 -2.141 -12.574 1.00 0.00 SOLV ATOM 389 H1 TIP3 122 -7.656 -2.628 -12.043 1.00 0.00 SOLV ATOM 390 H2 TIP3 122 -8.148 -2.541 -13.456 1.00 0.00 SOLV ATOM 391 OH2 TIP3 123 -5.629 -2.234 4.359 1.00 0.00 SOLV ATOM 392 H1 TIP3 123 -5.808 -1.683 3.567 1.00 0.00 SOLV ATOM 393 H2 TIP3 123 -5.376 -3.088 3.967 1.00 0.00 SOLV ATOM 394 OH2 TIP3 124 -1.895 -0.865 -12.659 1.00 0.00 SOLV ATOM 395 H1 TIP3 124 -2.200 -0.965 -11.736 1.00 0.00 SOLV ATOM 396 H2 TIP3 124 -2.703 -0.541 -13.087 1.00 0.00 SOLV ATOM 397 OH2 TIP3 125 -11.302 -4.865 4.424 1.00 0.00 SOLV ATOM 398 H1 TIP3 125 -10.375 -5.085 4.251 1.00 0.00 SOLV ATOM 399 H2 TIP3 125 -11.337 -4.847 5.403 1.00 0.00 SOLV ATOM 400 OH2 TIP3 126 -6.740 -3.756 -10.913 1.00 0.00 SOLV ATOM 401 H1 TIP3 126 -7.250 -4.312 -10.301 1.00 0.00 SOLV ATOM 402 H2 TIP3 126 -6.288 -4.433 -11.466 1.00 0.00 SOLV ATOM 403 OH2 TIP3 127 -7.476 -5.897 1.698 1.00 0.00 SOLV ATOM 404 H1 TIP3 127 -8.226 -5.265 1.693 1.00 0.00 SOLV ATOM 405 H2 TIP3 127 -6.847 -5.454 1.084 1.00 0.00 SOLV ATOM 406 OH2 TIP3 128 -5.621 -5.638 -12.573 1.00 0.00 SOLV ATOM 407 H1 TIP3 128 -5.658 -6.067 -13.435 1.00 0.00 SOLV ATOM 408 H2 TIP3 128 -4.651 -5.664 -12.390 1.00 0.00 SOLV ATOM 409 OH2 TIP3 129 -2.192 -3.090 5.101 1.00 0.00 SOLV ATOM 410 H1 TIP3 129 -1.427 -3.629 4.880 1.00 0.00 SOLV ATOM 411 H2 TIP3 129 -2.790 -3.743 5.498 1.00 0.00 SOLV ATOM 412 OH2 TIP3 130 -6.873 -8.434 2.491 1.00 0.00 SOLV ATOM 413 H1 TIP3 130 -6.804 -8.964 1.669 1.00 0.00 SOLV ATOM 414 H2 TIP3 130 -7.087 -7.545 2.125 1.00 0.00 SOLV ATOM 415 OH2 TIP3 131 -6.616 -9.782 0.059 1.00 0.00 SOLV ATOM 416 H1 TIP3 131 -6.152 -9.285 -0.644 1.00 0.00 SOLV ATOM 417 H2 TIP3 131 -7.519 -9.867 -0.315 1.00 0.00 SOLV ATOM 418 OH2 TIP3 132 -5.584 -4.658 0.255 1.00 0.00 SOLV ATOM 419 H1 TIP3 132 -4.652 -4.727 0.027 1.00 0.00 SOLV ATOM 420 H2 TIP3 132 -5.861 -3.860 -0.245 1.00 0.00 SOLV ATOM 421 OH2 TIP3 133 -0.937 -6.780 4.965 1.00 0.00 SOLV ATOM 422 H1 TIP3 133 -0.578 -7.669 4.826 1.00 0.00 SOLV ATOM 423 H2 TIP3 133 -0.146 -6.271 5.222 1.00 0.00 SOLV ATOM 424 OH2 TIP3 134 0.642 -3.787 3.046 1.00 0.00 SOLV ATOM 425 H1 TIP3 134 0.442 -2.972 2.566 1.00 0.00 SOLV ATOM 426 H2 TIP3 134 1.628 -3.752 3.047 1.00 0.00 SOLV ATOM 427 OH2 TIP3 135 -8.456 -7.785 4.785 1.00 0.00 SOLV ATOM 428 H1 TIP3 135 -9.285 -8.302 4.676 1.00 0.00 SOLV ATOM 429 H2 TIP3 135 -8.035 -7.903 3.911 1.00 0.00 SOLV ATOM 430 OH2 TIP3 136 -5.891 -12.425 0.182 1.00 0.00 SOLV ATOM 431 H1 TIP3 136 -6.039 -11.456 0.261 1.00 0.00 SOLV ATOM 432 H2 TIP3 136 -6.143 -12.569 -0.739 1.00 0.00 SOLV ATOM 433 OH2 TIP3 137 -4.588 -8.743 4.050 1.00 0.00 SOLV ATOM 434 H1 TIP3 137 -5.034 -8.932 4.899 1.00 0.00 SOLV ATOM 435 H2 TIP3 137 -5.376 -8.667 3.469 1.00 0.00 SOLV ATOM 436 OH2 TIP3 138 -1.865 -9.284 3.609 1.00 0.00 SOLV ATOM 437 H1 TIP3 138 -2.809 -9.315 3.859 1.00 0.00 SOLV ATOM 438 H2 TIP3 138 -1.453 -9.937 4.209 1.00 0.00 SOLV ATOM 439 OH2 TIP3 139 -0.349 -10.836 5.348 1.00 0.00 SOLV ATOM 440 H1 TIP3 139 -0.696 -11.717 5.521 1.00 0.00 SOLV ATOM 441 H2 TIP3 139 -0.590 -10.354 6.173 1.00 0.00 SOLV ATOM 442 OH2 TIP3 140 -10.542 -9.538 4.619 1.00 0.00 SOLV ATOM 443 H1 TIP3 140 -10.525 -10.310 4.014 1.00 0.00 SOLV ATOM 444 H2 TIP3 140 -10.422 -9.999 5.478 1.00 0.00 SOLV ATOM 445 OH2 TIP3 141 -5.042 -11.613 4.909 1.00 0.00 SOLV ATOM 446 H1 TIP3 141 -4.787 -11.494 3.987 1.00 0.00 SOLV ATOM 447 H2 TIP3 141 -5.685 -10.881 5.064 1.00 0.00 SOLV ATOM 448 OH2 TIP3 142 -5.858 5.537 -10.796 1.00 0.00 SOLV ATOM 449 H1 TIP3 142 -4.909 5.371 -10.990 1.00 0.00 SOLV ATOM 450 H2 TIP3 142 -6.083 6.136 -11.521 1.00 0.00 SOLV ATOM 451 OH2 TIP3 143 -12.106 -0.105 -11.493 1.00 0.00 SOLV ATOM 452 H1 TIP3 143 -11.166 0.172 -11.551 1.00 0.00 SOLV ATOM 453 H2 TIP3 143 -12.245 -0.450 -12.385 1.00 0.00 SOLV ATOM 454 OH2 TIP3 144 -12.439 3.065 -5.306 1.00 0.00 SOLV ATOM 455 H1 TIP3 144 -13.356 2.870 -5.055 1.00 0.00 SOLV ATOM 456 H2 TIP3 144 -12.041 3.204 -4.431 1.00 0.00 SOLV ATOM 457 OH2 TIP3 145 5.045 4.025 -2.139 1.00 0.00 SOLV ATOM 458 H1 TIP3 145 5.172 4.689 -1.436 1.00 0.00 SOLV ATOM 459 H2 TIP3 145 5.918 4.044 -2.569 1.00 0.00 SOLV ATOM 460 OH2 TIP3 146 2.908 -0.847 5.581 1.00 0.00 SOLV ATOM 461 H1 TIP3 146 2.016 -0.662 5.943 1.00 0.00 SOLV ATOM 462 H2 TIP3 146 3.413 -0.101 5.961 1.00 0.00 SOLV ATOM 463 OH2 TIP3 147 4.275 -2.421 -9.040 1.00 0.00 SOLV ATOM 464 H1 TIP3 147 5.011 -1.777 -8.989 1.00 0.00 SOLV ATOM 465 H2 TIP3 147 4.467 -3.000 -8.273 1.00 0.00 SOLV ATOM 466 OH2 TIP3 148 4.844 -4.449 -7.185 1.00 0.00 SOLV ATOM 467 H1 TIP3 148 3.974 -4.787 -6.879 1.00 0.00 SOLV ATOM 468 H2 TIP3 148 5.332 -4.309 -6.348 1.00 0.00 SOLV ATOM 469 OH2 TIP3 149 4.833 -1.503 -2.005 1.00 0.00 SOLV ATOM 470 H1 TIP3 149 5.205 -2.255 -2.502 1.00 0.00 SOLV ATOM 471 H2 TIP3 149 5.144 -0.731 -2.520 1.00 0.00 SOLV ATOM 472 OH2 TIP3 150 4.749 -4.405 -10.838 1.00 0.00 SOLV ATOM 473 H1 TIP3 150 4.067 -4.201 -11.490 1.00 0.00 SOLV ATOM 474 H2 TIP3 150 4.585 -3.691 -10.181 1.00 0.00 SOLV ATOM 475 OH2 TIP3 151 3.398 -7.265 -12.429 1.00 0.00 SOLV ATOM 476 H1 TIP3 151 3.208 -6.694 -13.193 1.00 0.00 SOLV ATOM 477 H2 TIP3 151 2.868 -8.059 -12.649 1.00 0.00 SOLV ATOM 478 OH2 TIP3 152 2.303 -5.529 -6.658 1.00 0.00 SOLV ATOM 479 H1 TIP3 152 2.180 -6.444 -6.956 1.00 0.00 SOLV ATOM 480 H2 TIP3 152 1.841 -5.536 -5.790 1.00 0.00 SOLV ATOM 481 OH2 TIP3 153 -12.830 -3.899 -2.719 1.00 0.00 SOLV ATOM 482 H1 TIP3 153 -12.569 -3.802 -3.654 1.00 0.00 SOLV ATOM 483 H2 TIP3 153 -11.961 -4.025 -2.279 1.00 0.00 SOLV ATOM 484 OH2 TIP3 154 3.333 -3.700 3.131 1.00 0.00 SOLV ATOM 485 H1 TIP3 154 3.930 -4.434 2.871 1.00 0.00 SOLV ATOM 486 H2 TIP3 154 3.868 -2.903 2.923 1.00 0.00 SOLV ATOM 487 OH2 TIP3 155 4.627 -6.064 2.790 1.00 0.00 SOLV ATOM 488 H1 TIP3 155 3.737 -6.425 2.992 1.00 0.00 SOLV ATOM 489 H2 TIP3 155 5.186 -6.803 3.112 1.00 0.00 SOLV ATOM 490 OH2 TIP3 156 1.765 -9.431 -12.899 1.00 0.00 SOLV ATOM 491 H1 TIP3 156 2.326 -10.124 -12.513 1.00 0.00 SOLV ATOM 492 H2 TIP3 156 0.923 -9.555 -12.407 1.00 0.00 SOLV ATOM 493 OH2 TIP3 157 2.135 -7.961 -8.406 1.00 0.00 SOLV ATOM 494 H1 TIP3 157 2.476 -8.881 -8.305 1.00 0.00 SOLV ATOM 495 H2 TIP3 157 2.880 -7.561 -8.898 1.00 0.00 SOLV ATOM 496 OH2 TIP3 158 2.511 -7.594 -2.824 1.00 0.00 SOLV ATOM 497 H1 TIP3 158 3.481 -7.513 -2.971 1.00 0.00 SOLV ATOM 498 H2 TIP3 158 2.478 -7.453 -1.859 1.00 0.00 SOLV ATOM 499 OH2 TIP3 159 2.866 -6.825 -0.119 1.00 0.00 SOLV ATOM 500 H1 TIP3 159 2.034 -6.558 0.304 1.00 0.00 SOLV ATOM 501 H2 TIP3 159 3.305 -5.955 -0.256 1.00 0.00 SOLV ATOM 502 OH2 TIP3 160 -12.706 -8.697 3.225 1.00 0.00 SOLV ATOM 503 H1 TIP3 160 -11.949 -8.902 3.807 1.00 0.00 SOLV ATOM 504 H2 TIP3 160 -13.443 -8.930 3.825 1.00 0.00 SOLV ATOM 505 OH2 TIP3 161 5.760 -12.221 4.939 1.00 0.00 SOLV ATOM 506 H1 TIP3 161 5.341 -13.081 4.720 1.00 0.00 SOLV ATOM 507 H2 TIP3 161 5.254 -11.617 4.353 1.00 0.00 SOLV ATOM 508 OH2 TIP3 162 2.941 -10.597 -8.043 1.00 0.00 SOLV ATOM 509 H1 TIP3 162 2.997 -11.030 -7.172 1.00 0.00 SOLV ATOM 510 H2 TIP3 162 2.663 -11.335 -8.605 1.00 0.00 SOLV ATOM 511 OH2 TIP3 163 -11.634 -10.172 -3.966 1.00 0.00 SOLV ATOM 512 H1 TIP3 163 -11.178 -11.024 -3.827 1.00 0.00 SOLV ATOM 513 H2 TIP3 163 -11.017 -9.558 -3.535 1.00 0.00 SOLV ATOM 514 OH2 TIP3 164 -13.299 -6.551 -3.242 1.00 0.00 SOLV ATOM 515 H1 TIP3 164 -12.420 -6.777 -3.595 1.00 0.00 SOLV ATOM 516 H2 TIP3 164 -13.143 -5.644 -2.909 1.00 0.00 SOLV ATOM 517 OH2 TIP3 165 4.341 -10.706 3.193 1.00 0.00 SOLV ATOM 518 H1 TIP3 165 3.495 -10.231 3.065 1.00 0.00 SOLV ATOM 519 H2 TIP3 165 4.254 -11.364 2.470 1.00 0.00 SOLV ATOM 520 OH2 TIP3 166 4.104 -10.650 -11.515 1.00 0.00 SOLV ATOM 521 H1 TIP3 166 4.358 -10.857 -12.432 1.00 0.00 SOLV ATOM 522 H2 TIP3 166 4.901 -10.189 -11.189 1.00 0.00 SOLV ATOM 523 OH2 TIP3 167 -13.359 -11.011 -9.300 1.00 0.00 SOLV ATOM 524 H1 TIP3 167 -13.347 -10.839 -8.353 1.00 0.00 SOLV ATOM 525 H2 TIP3 167 -12.833 -10.256 -9.656 1.00 0.00 SOLV ATOM 526 OH2 TIP3 168 1.621 4.126 -6.440 1.00 0.00 SOLV ATOM 527 H1 TIP3 168 2.350 4.151 -7.092 1.00 0.00 SOLV ATOM 528 H2 TIP3 168 1.977 4.657 -5.709 1.00 0.00 SOLV ATOM 529 OH2 TIP3 169 -11.263 1.784 3.683 1.00 0.00 SOLV ATOM 530 H1 TIP3 169 -11.857 1.153 3.260 1.00 0.00 SOLV ATOM 531 H2 TIP3 169 -11.496 1.661 4.616 1.00 0.00 SOLV ATOM 532 OH2 TIP3 170 -7.778 2.304 0.121 1.00 0.00 SOLV ATOM 533 H1 TIP3 170 -8.022 3.237 -0.054 1.00 0.00 SOLV ATOM 534 H2 TIP3 170 -6.805 2.368 0.043 1.00 0.00 SOLV ATOM 535 OH2 TIP3 171 -4.191 3.801 2.993 1.00 0.00 SOLV ATOM 536 H1 TIP3 171 -3.988 3.179 3.732 1.00 0.00 SOLV ATOM 537 H2 TIP3 171 -3.302 4.158 2.819 1.00 0.00 SOLV ATOM 538 OH2 TIP3 172 -1.726 4.911 2.383 1.00 0.00 SOLV ATOM 539 H1 TIP3 172 -1.198 4.217 1.959 1.00 0.00 SOLV ATOM 540 H2 TIP3 172 -1.160 5.171 3.144 1.00 0.00 SOLV ATOM 541 OH2 TIP3 173 3.707 -12.474 1.191 1.00 0.00 SOLV ATOM 542 H1 TIP3 173 3.086 -11.963 0.627 1.00 0.00 SOLV ATOM 543 H2 TIP3 173 3.170 -13.246 1.413 1.00 0.00 SOLV ATOM 544 OH2 TIP3 174 -11.075 5.258 0.481 1.00 0.00 SOLV ATOM 545 H1 TIP3 174 -12.024 5.460 0.371 1.00 0.00 SOLV ATOM 546 H2 TIP3 174 -10.873 5.799 1.266 1.00 0.00 SOLV ATOM 547 OH2 TIP3 175 -8.381 4.946 -0.408 1.00 0.00 SOLV ATOM 548 H1 TIP3 175 -9.318 5.091 -0.160 1.00 0.00 SOLV ATOM 549 H2 TIP3 175 -8.327 5.429 -1.257 1.00 0.00 SOLV ATOM 550 OH2 TIP3 176 -3.485 4.572 -1.755 1.00 0.00 SOLV ATOM 551 H1 TIP3 176 -4.004 5.181 -2.291 1.00 0.00 SOLV ATOM 552 H2 TIP3 176 -3.215 5.151 -1.009 1.00 0.00 SOLV ATOM 553 OH2 TIP3 177 1.659 4.839 -0.068 1.00 0.00 SOLV ATOM 554 H1 TIP3 177 1.219 5.576 -0.500 1.00 0.00 SOLV ATOM 555 H2 TIP3 177 1.799 4.240 -0.835 1.00 0.00 SOLV ATOM 556 OH2 TIP3 178 -11.124 3.706 -2.866 1.00 0.00 SOLV ATOM 557 H1 TIP3 178 -11.219 3.218 -2.024 1.00 0.00 SOLV ATOM 558 H2 TIP3 178 -10.270 3.358 -3.193 1.00 0.00 SOLV ATOM 559 OH2 TIP3 179 -8.860 2.816 -4.192 1.00 0.00 SOLV ATOM 560 H1 TIP3 179 -9.043 1.862 -4.026 1.00 0.00 SOLV ATOM 561 H2 TIP3 179 -7.997 2.919 -3.734 1.00 0.00 SOLV ATOM 562 OH2 TIP3 180 -6.406 2.956 -2.983 1.00 0.00 SOLV ATOM 563 H1 TIP3 180 -6.239 2.010 -3.206 1.00 0.00 SOLV ATOM 564 H2 TIP3 180 -6.068 2.961 -2.068 1.00 0.00 SOLV ATOM 565 OH2 TIP3 181 -3.172 -11.161 -4.284 1.00 0.00 SOLV ATOM 566 H1 TIP3 181 -3.880 -11.828 -4.179 1.00 0.00 SOLV ATOM 567 H2 TIP3 181 -2.413 -11.702 -4.601 1.00 0.00 SOLV ATOM 568 OH2 TIP3 182 1.978 -11.939 -3.572 1.00 0.00 SOLV ATOM 569 H1 TIP3 182 2.654 -11.949 -4.275 1.00 0.00 SOLV ATOM 570 H2 TIP3 182 1.590 -12.827 -3.688 1.00 0.00 SOLV ATOM 571 OH2 TIP3 183 3.694 -12.250 -5.772 1.00 0.00 SOLV ATOM 572 H1 TIP3 183 4.326 -12.978 -5.758 1.00 0.00 SOLV ATOM 573 H2 TIP3 183 4.317 -11.481 -5.744 1.00 0.00 SOLV ATOM 574 OH2 TIP3 184 -10.773 -12.735 -6.777 1.00 0.00 SOLV ATOM 575 H1 TIP3 184 -11.736 -12.834 -6.687 1.00 0.00 SOLV ATOM 576 H2 TIP3 184 -10.546 -13.565 -7.230 1.00 0.00 SOLV ATOM 577 OH2 TIP3 185 -12.140 -12.787 -11.246 1.00 0.00 SOLV ATOM 578 H1 TIP3 185 -11.348 -12.238 -11.439 1.00 0.00 SOLV ATOM 579 H2 TIP3 185 -12.526 -12.295 -10.496 1.00 0.00 SOLV ATOM 580 OH2 TIP3 186 -6.277 -11.982 -6.826 1.00 0.00 SOLV ATOM 581 H1 TIP3 186 -5.385 -12.148 -7.163 1.00 0.00 SOLV ATOM 582 H2 TIP3 186 -6.180 -12.292 -5.906 1.00 0.00 SOLV ATOM 583 OH2 TIP3 187 -0.979 -12.515 -5.234 1.00 0.00 SOLV ATOM 584 H1 TIP3 187 -0.332 -12.294 -5.912 1.00 0.00 SOLV ATOM 585 H2 TIP3 187 -0.468 -13.143 -4.699 1.00 0.00 SOLV ATOM 586 OH2 TIP3 188 0.551 -12.534 -9.474 1.00 0.00 SOLV ATOM 587 H1 TIP3 188 -0.085 -11.809 -9.322 1.00 0.00 SOLV ATOM 588 H2 TIP3 188 0.698 -12.870 -8.560 1.00 0.00 SOLV ATOM 589 OH2 TIP3 189 -11.598 3.468 -9.915 1.00 0.00 SOLV ATOM 590 H1 TIP3 189 -12.513 3.138 -10.036 1.00 0.00 SOLV ATOM 591 H2 TIP3 189 -11.750 4.433 -9.995 1.00 0.00 SOLV ATOM 592 OH2 TIP3 190 -9.945 -11.262 -11.855 1.00 0.00 SOLV ATOM 593 H1 TIP3 190 -9.763 -11.011 -12.771 1.00 0.00 SOLV ATOM 594 H2 TIP3 190 -9.137 -10.940 -11.409 1.00 0.00 SOLV ATOM 595 OH2 TIP3 191 -5.014 -10.490 -9.657 1.00 0.00 SOLV ATOM 596 H1 TIP3 191 -4.724 -11.115 -8.970 1.00 0.00 SOLV ATOM 597 H2 TIP3 191 -4.914 -9.644 -9.170 1.00 0.00 SOLV ATOM 598 OH2 TIP3 192 -3.286 4.678 -11.287 1.00 0.00 SOLV ATOM 599 H1 TIP3 192 -2.308 4.753 -11.383 1.00 0.00 SOLV ATOM 600 H2 TIP3 192 -3.415 3.924 -11.904 1.00 0.00 SOLV ATOM 601 OH2 TIP3 193 3.637 4.110 -8.391 1.00 0.00 SOLV ATOM 602 H1 TIP3 193 3.487 3.182 -8.697 1.00 0.00 SOLV ATOM 603 H2 TIP3 193 3.478 4.599 -9.223 1.00 0.00 SOLV ATOM 604 OH2 TIP3 194 -10.466 -11.734 3.004 1.00 0.00 SOLV ATOM 605 H1 TIP3 194 -11.148 -12.394 2.839 1.00 0.00 SOLV ATOM 606 H2 TIP3 194 -9.833 -12.233 3.568 1.00 0.00 SOLV ATOM 607 OH2 TIP3 195 -8.668 -13.132 4.613 1.00 0.00 SOLV ATOM 608 H1 TIP3 195 -7.724 -13.115 4.818 1.00 0.00 SOLV ATOM 609 H2 TIP3 195 -8.843 -14.091 4.720 1.00 0.00 SOLV ATOM 610 OH2 TIP3 196 -9.877 2.972 -12.209 1.00 0.00 SOLV ATOM 611 H1 TIP3 196 -10.420 3.105 -11.414 1.00 0.00 SOLV ATOM 612 H2 TIP3 196 -9.584 2.051 -12.099 1.00 0.00 SOLV ATOM 613 OH2 TIP3 197 2.782 2.477 3.757 1.00 0.00 SOLV ATOM 614 H1 TIP3 197 2.030 2.176 3.227 1.00 0.00 SOLV ATOM 615 H2 TIP3 197 2.600 3.436 3.850 1.00 0.00 SOLV ATOM 616 OH2 TIP3 198 8.272 -4.852 -1.564 1.00 0.00 SOLV ATOM 617 H1 TIP3 198 8.352 -5.492 -0.832 1.00 0.00 SOLV ATOM 618 H2 TIP3 198 9.212 -4.688 -1.781 1.00 0.00 SOLV ATOM 619 OH2 TIP3 199 9.472 -0.277 -3.405 1.00 0.00 SOLV ATOM 620 H1 TIP3 199 9.097 -1.142 -3.648 1.00 0.00 SOLV ATOM 621 H2 TIP3 199 10.416 -0.510 -3.283 1.00 0.00 SOLV ATOM 622 OH2 TIP3 200 6.309 -6.745 -7.934 1.00 0.00 SOLV ATOM 623 H1 TIP3 200 6.014 -5.855 -7.663 1.00 0.00 SOLV ATOM 624 H2 TIP3 200 5.575 -6.984 -8.526 1.00 0.00 SOLV ATOM 625 OH2 TIP3 201 6.819 -4.340 -5.135 1.00 0.00 SOLV ATOM 626 H1 TIP3 201 7.147 -5.251 -4.985 1.00 0.00 SOLV ATOM 627 H2 TIP3 201 7.629 -3.811 -4.965 1.00 0.00 SOLV ATOM 628 OH2 TIP3 202 10.688 -9.743 -5.177 1.00 0.00 SOLV ATOM 629 H1 TIP3 202 11.269 -9.088 -5.598 1.00 0.00 SOLV ATOM 630 H2 TIP3 202 10.236 -10.123 -5.954 1.00 0.00 SOLV ATOM 631 OH2 TIP3 203 7.562 -6.949 -4.507 1.00 0.00 SOLV ATOM 632 H1 TIP3 203 8.163 -7.439 -3.914 1.00 0.00 SOLV ATOM 633 H2 TIP3 203 7.908 -7.240 -5.377 1.00 0.00 SOLV ATOM 634 OH2 TIP3 204 11.792 -5.502 -4.788 1.00 0.00 SOLV ATOM 635 H1 TIP3 204 12.496 -5.930 -4.247 1.00 0.00 SOLV ATOM 636 H2 TIP3 204 11.623 -6.221 -5.426 1.00 0.00 SOLV ATOM 637 OH2 TIP3 205 9.647 -10.209 -0.849 1.00 0.00 SOLV ATOM 638 H1 TIP3 205 9.353 -9.675 -1.611 1.00 0.00 SOLV ATOM 639 H2 TIP3 205 8.951 -9.984 -0.193 1.00 0.00 SOLV ATOM 640 OH2 TIP3 206 12.001 -2.423 -1.177 1.00 0.00 SOLV ATOM 641 H1 TIP3 206 11.604 -1.699 -0.646 1.00 0.00 SOLV ATOM 642 H2 TIP3 206 12.216 -1.928 -1.996 1.00 0.00 SOLV ATOM 643 OH2 TIP3 207 9.265 -8.698 -3.134 1.00 0.00 SOLV ATOM 644 H1 TIP3 207 9.934 -8.184 -2.626 1.00 0.00 SOLV ATOM 645 H2 TIP3 207 9.839 -9.123 -3.819 1.00 0.00 SOLV ATOM 646 OH2 TIP3 208 10.820 -0.378 0.135 1.00 0.00 SOLV ATOM 647 H1 TIP3 208 10.893 0.580 -0.063 1.00 0.00 SOLV ATOM 648 H2 TIP3 208 9.863 -0.440 0.335 1.00 0.00 SOLV ATOM 649 OH2 TIP3 209 6.562 -0.772 -9.219 1.00 0.00 SOLV ATOM 650 H1 TIP3 209 6.498 -0.288 -10.065 1.00 0.00 SOLV ATOM 651 H2 TIP3 209 6.771 -0.045 -8.595 1.00 0.00 SOLV ATOM 652 OH2 TIP3 210 11.032 -3.281 -6.238 1.00 0.00 SOLV ATOM 653 H1 TIP3 210 10.863 -3.594 -7.150 1.00 0.00 SOLV ATOM 654 H2 TIP3 210 11.448 -4.068 -5.825 1.00 0.00 SOLV ATOM 655 OH2 TIP3 211 12.242 -0.743 -3.316 1.00 0.00 SOLV ATOM 656 H1 TIP3 211 12.461 -1.040 -4.224 1.00 0.00 SOLV ATOM 657 H2 TIP3 211 13.017 -0.161 -3.143 1.00 0.00 SOLV ATOM 658 OH2 TIP3 212 10.890 -4.601 -2.305 1.00 0.00 SOLV ATOM 659 H1 TIP3 212 11.370 -4.755 -3.146 1.00 0.00 SOLV ATOM 660 H2 TIP3 212 11.429 -3.872 -1.909 1.00 0.00 SOLV ATOM 661 OH2 TIP3 213 12.196 -0.205 2.517 1.00 0.00 SOLV ATOM 662 H1 TIP3 213 11.607 0.532 2.783 1.00 0.00 SOLV ATOM 663 H2 TIP3 213 11.865 -0.358 1.608 1.00 0.00 SOLV ATOM 664 OH2 TIP3 214 9.239 -4.397 2.000 1.00 0.00 SOLV ATOM 665 H1 TIP3 214 9.302 -3.490 2.364 1.00 0.00 SOLV ATOM 666 H2 TIP3 214 8.339 -4.363 1.614 1.00 0.00 SOLV ATOM 667 OH2 TIP3 215 10.326 1.756 2.870 1.00 0.00 SOLV ATOM 668 H1 TIP3 215 10.191 1.977 1.933 1.00 0.00 SOLV ATOM 669 H2 TIP3 215 9.421 1.499 3.167 1.00 0.00 SOLV ATOM 670 OH2 TIP3 216 10.242 -4.221 -8.781 1.00 0.00 SOLV ATOM 671 H1 TIP3 216 9.650 -3.562 -9.209 1.00 0.00 SOLV ATOM 672 H2 TIP3 216 9.683 -5.006 -8.797 1.00 0.00 SOLV ATOM 673 OH2 TIP3 217 6.073 -1.813 0.430 1.00 0.00 SOLV ATOM 674 H1 TIP3 217 5.643 -1.755 -0.452 1.00 0.00 SOLV ATOM 675 H2 TIP3 217 6.234 -2.775 0.528 1.00 0.00 SOLV ATOM 676 OH2 TIP3 218 6.035 0.831 -2.962 1.00 0.00 SOLV ATOM 677 H1 TIP3 218 6.984 0.722 -2.808 1.00 0.00 SOLV ATOM 678 H2 TIP3 218 5.787 1.427 -2.237 1.00 0.00 SOLV ATOM 679 OH2 TIP3 219 8.987 3.364 -6.646 1.00 0.00 SOLV ATOM 680 H1 TIP3 219 9.198 3.002 -5.757 1.00 0.00 SOLV ATOM 681 H2 TIP3 219 8.366 2.684 -6.978 1.00 0.00 SOLV ATOM 682 OH2 TIP3 220 8.221 -0.220 1.004 1.00 0.00 SOLV ATOM 683 H1 TIP3 220 8.448 -0.619 1.866 1.00 0.00 SOLV ATOM 684 H2 TIP3 220 7.434 -0.759 0.766 1.00 0.00 SOLV ATOM 685 OH2 TIP3 221 10.578 -12.465 -2.132 1.00 0.00 SOLV ATOM 686 H1 TIP3 221 10.015 -12.396 -2.926 1.00 0.00 SOLV ATOM 687 H2 TIP3 221 10.280 -11.664 -1.649 1.00 0.00 SOLV ATOM 688 OH2 TIP3 222 10.764 -7.261 -1.382 1.00 0.00 SOLV ATOM 689 H1 TIP3 222 10.094 -7.095 -0.685 1.00 0.00 SOLV ATOM 690 H2 TIP3 222 10.934 -6.362 -1.719 1.00 0.00 SOLV ATOM 691 OH2 TIP3 223 11.323 -7.444 -6.697 1.00 0.00 SOLV ATOM 692 H1 TIP3 223 10.341 -7.434 -6.657 1.00 0.00 SOLV ATOM 693 H2 TIP3 223 11.441 -7.757 -7.622 1.00 0.00 SOLV ATOM 694 OH2 TIP3 224 8.697 -6.854 0.360 1.00 0.00 SOLV ATOM 695 H1 TIP3 224 8.777 -6.523 1.267 1.00 0.00 SOLV ATOM 696 H2 TIP3 224 8.319 -7.747 0.514 1.00 0.00 SOLV ATOM 697 OH2 TIP3 225 12.157 -8.861 -12.640 1.00 0.00 SOLV ATOM 698 H1 TIP3 225 11.872 -9.595 -12.068 1.00 0.00 SOLV ATOM 699 H2 TIP3 225 11.577 -8.963 -13.403 1.00 0.00 SOLV ATOM 700 OH2 TIP3 226 5.436 -10.229 -5.785 1.00 0.00 SOLV ATOM 701 H1 TIP3 226 5.911 -10.142 -4.932 1.00 0.00 SOLV ATOM 702 H2 TIP3 226 5.793 -9.495 -6.286 1.00 0.00 SOLV ATOM 703 OH2 TIP3 227 6.126 -9.121 -10.378 1.00 0.00 SOLV ATOM 704 H1 TIP3 227 6.838 -8.702 -10.908 1.00 0.00 SOLV ATOM 705 H2 TIP3 227 5.567 -8.345 -10.186 1.00 0.00 SOLV ATOM 706 OH2 TIP3 228 8.610 -7.806 -6.882 1.00 0.00 SOLV ATOM 707 H1 TIP3 228 7.830 -7.494 -7.397 1.00 0.00 SOLV ATOM 708 H2 TIP3 228 8.670 -8.749 -7.145 1.00 0.00 SOLV ATOM 709 OH2 TIP3 229 11.913 -7.904 -9.311 1.00 0.00 SOLV ATOM 710 H1 TIP3 229 12.868 -7.713 -9.234 1.00 0.00 SOLV ATOM 711 H2 TIP3 229 11.658 -7.293 -10.035 1.00 0.00 SOLV ATOM 712 OH2 TIP3 230 11.141 -6.524 -11.578 1.00 0.00 SOLV ATOM 713 H1 TIP3 230 10.233 -6.574 -11.892 1.00 0.00 SOLV ATOM 714 H2 TIP3 230 11.581 -7.205 -12.136 1.00 0.00 SOLV ATOM 715 OH2 TIP3 231 8.990 -1.946 3.307 1.00 0.00 SOLV ATOM 716 H1 TIP3 231 9.637 -2.031 4.033 1.00 0.00 SOLV ATOM 717 H2 TIP3 231 8.188 -1.710 3.813 1.00 0.00 SOLV ATOM 718 OH2 TIP3 232 9.296 -10.427 -7.516 1.00 0.00 SOLV ATOM 719 H1 TIP3 232 8.896 -11.293 -7.276 1.00 0.00 SOLV ATOM 720 H2 TIP3 232 9.645 -10.624 -8.396 1.00 0.00 SOLV ATOM 721 OH2 TIP3 233 9.095 -3.000 -4.260 1.00 0.00 SOLV ATOM 722 H1 TIP3 233 9.748 -3.013 -4.993 1.00 0.00 SOLV ATOM 723 H2 TIP3 233 9.556 -3.501 -3.571 1.00 0.00 SOLV ATOM 724 OH2 TIP3 234 6.499 -4.445 1.355 1.00 0.00 SOLV ATOM 725 H1 TIP3 234 6.342 -4.734 2.274 1.00 0.00 SOLV ATOM 726 H2 TIP3 234 5.768 -4.899 0.907 1.00 0.00 SOLV ATOM 727 OH2 TIP3 235 11.523 1.017 -6.837 1.00 0.00 SOLV ATOM 728 H1 TIP3 235 11.610 1.856 -7.324 1.00 0.00 SOLV ATOM 729 H2 TIP3 235 10.682 1.139 -6.386 1.00 0.00 SOLV ATOM 730 OH2 TIP3 236 7.433 -4.762 -11.538 1.00 0.00 SOLV ATOM 731 H1 TIP3 236 7.894 -4.028 -11.078 1.00 0.00 SOLV ATOM 732 H2 TIP3 236 6.531 -4.674 -11.164 1.00 0.00 SOLV ATOM 733 OH2 TIP3 237 12.855 -1.202 -5.918 1.00 0.00 SOLV ATOM 734 H1 TIP3 237 12.393 -0.412 -6.274 1.00 0.00 SOLV ATOM 735 H2 TIP3 237 12.224 -1.919 -6.122 1.00 0.00 SOLV ATOM 736 OH2 TIP3 238 11.485 3.695 -7.775 1.00 0.00 SOLV ATOM 737 H1 TIP3 238 10.557 3.717 -7.461 1.00 0.00 SOLV ATOM 738 H2 TIP3 238 11.859 4.461 -7.284 1.00 0.00 SOLV ATOM 739 OH2 TIP3 239 7.622 -9.412 0.805 1.00 0.00 SOLV ATOM 740 H1 TIP3 239 6.671 -9.222 0.660 1.00 0.00 SOLV ATOM 741 H2 TIP3 239 7.592 -10.092 1.500 1.00 0.00 SOLV ATOM 742 OH2 TIP3 240 7.656 2.183 -0.740 1.00 0.00 SOLV ATOM 743 H1 TIP3 240 7.895 1.364 -0.267 1.00 0.00 SOLV ATOM 744 H2 TIP3 240 7.707 2.837 -0.029 1.00 0.00 SOLV ATOM 745 OH2 TIP3 241 13.321 1.062 -13.945 1.00 0.00 SOLV ATOM 746 H1 TIP3 241 13.160 0.101 -13.957 1.00 0.00 SOLV ATOM 747 H2 TIP3 241 13.157 1.288 -13.016 1.00 0.00 SOLV ATOM 748 OH2 TIP3 242 12.083 0.536 -10.939 1.00 0.00 SOLV ATOM 749 H1 TIP3 242 12.961 0.129 -10.868 1.00 0.00 SOLV ATOM 750 H2 TIP3 242 12.261 1.427 -10.573 1.00 0.00 SOLV ATOM 751 OH2 TIP3 243 8.490 -2.557 -10.091 1.00 0.00 SOLV ATOM 752 H1 TIP3 243 7.793 -2.031 -9.641 1.00 0.00 SOLV ATOM 753 H2 TIP3 243 8.966 -1.838 -10.547 1.00 0.00 SOLV ATOM 754 OH2 TIP3 244 12.698 3.071 -10.156 1.00 0.00 SOLV ATOM 755 H1 TIP3 244 12.554 3.824 -10.766 1.00 0.00 SOLV ATOM 756 H2 TIP3 244 12.213 3.358 -9.349 1.00 0.00 SOLV ATOM 757 OH2 TIP3 245 11.186 -10.342 -10.429 1.00 0.00 SOLV ATOM 758 H1 TIP3 245 11.290 -9.498 -9.944 1.00 0.00 SOLV ATOM 759 H2 TIP3 245 11.980 -10.819 -10.102 1.00 0.00 SOLV ATOM 760 OH2 TIP3 246 9.437 -0.158 -11.448 1.00 0.00 SOLV ATOM 761 H1 TIP3 246 10.287 0.222 -11.140 1.00 0.00 SOLV ATOM 762 H2 TIP3 246 9.804 -0.868 -12.020 1.00 0.00 SOLV ATOM 763 OH2 TIP3 247 7.768 -7.529 -12.038 1.00 0.00 SOLV ATOM 764 H1 TIP3 247 7.718 -6.559 -11.951 1.00 0.00 SOLV ATOM 765 H2 TIP3 247 7.936 -7.638 -12.995 1.00 0.00 SOLV ATOM 766 OH2 TIP3 248 8.486 -12.369 -4.078 1.00 0.00 SOLV ATOM 767 H1 TIP3 248 8.543 -12.442 -5.054 1.00 0.00 SOLV ATOM 768 H2 TIP3 248 8.078 -13.237 -3.883 1.00 0.00 SOLV ATOM 769 OH2 TIP3 249 7.105 1.555 -7.684 1.00 0.00 SOLV ATOM 770 H1 TIP3 249 6.488 1.941 -7.039 1.00 0.00 SOLV ATOM 771 H2 TIP3 249 6.997 2.156 -8.460 1.00 0.00 SOLV ATOM 772 OH2 TIP3 250 6.843 4.488 3.878 1.00 0.00 SOLV ATOM 773 H1 TIP3 250 7.431 4.125 4.583 1.00 0.00 SOLV ATOM 774 H2 TIP3 250 6.381 3.671 3.593 1.00 0.00 SOLV ATOM 775 OH2 TIP3 251 11.038 3.093 5.171 1.00 0.00 SOLV ATOM 776 H1 TIP3 251 11.818 2.561 5.422 1.00 0.00 SOLV ATOM 777 H2 TIP3 251 10.847 2.687 4.300 1.00 0.00 SOLV ATOM 778 OH2 TIP3 252 6.517 -1.893 4.660 1.00 0.00 SOLV ATOM 779 H1 TIP3 252 6.607 -2.858 4.522 1.00 0.00 SOLV ATOM 780 H2 TIP3 252 5.790 -1.677 4.037 1.00 0.00 SOLV ATOM 781 OH2 TIP3 253 10.675 -2.300 -12.504 1.00 0.00 SOLV ATOM 782 H1 TIP3 253 11.205 -2.899 -11.949 1.00 0.00 SOLV ATOM 783 H2 TIP3 253 11.346 -2.044 -13.171 1.00 0.00 SOLV ATOM 784 OH2 TIP3 254 12.712 -2.629 3.552 1.00 0.00 SOLV ATOM 785 H1 TIP3 254 12.510 -1.809 3.044 1.00 0.00 SOLV ATOM 786 H2 TIP3 254 13.097 -3.200 2.871 1.00 0.00 SOLV ATOM 787 OH2 TIP3 255 7.262 -4.513 4.283 1.00 0.00 SOLV ATOM 788 H1 TIP3 255 8.163 -4.607 3.938 1.00 0.00 SOLV ATOM 789 H2 TIP3 255 7.388 -4.655 5.243 1.00 0.00 SOLV ATOM 790 OH2 TIP3 256 12.155 -4.062 -10.887 1.00 0.00 SOLV ATOM 791 H1 TIP3 256 11.672 -4.003 -10.044 1.00 0.00 SOLV ATOM 792 H2 TIP3 256 11.890 -4.961 -11.181 1.00 0.00 SOLV ATOM 793 OH2 TIP3 257 11.744 -5.497 1.297 1.00 0.00 SOLV ATOM 794 H1 TIP3 257 10.887 -5.091 1.557 1.00 0.00 SOLV ATOM 795 H2 TIP3 257 11.780 -5.289 0.357 1.00 0.00 SOLV ATOM 796 OH2 TIP3 258 11.175 -8.067 2.213 1.00 0.00 SOLV ATOM 797 H1 TIP3 258 11.628 -8.694 1.617 1.00 0.00 SOLV ATOM 798 H2 TIP3 258 11.531 -7.216 1.894 1.00 0.00 SOLV ATOM 799 OH2 TIP3 259 12.173 -9.561 -0.014 1.00 0.00 SOLV ATOM 800 H1 TIP3 259 12.387 -8.882 -0.670 1.00 0.00 SOLV ATOM 801 H2 TIP3 259 11.249 -9.769 -0.267 1.00 0.00 SOLV ATOM 802 OH2 TIP3 260 10.331 -7.816 4.754 1.00 0.00 SOLV ATOM 803 H1 TIP3 260 9.522 -8.356 4.663 1.00 0.00 SOLV ATOM 804 H2 TIP3 260 10.637 -7.808 3.815 1.00 0.00 SOLV ATOM 805 OH2 TIP3 261 12.557 -12.348 -0.061 1.00 0.00 SOLV ATOM 806 H1 TIP3 261 12.701 -11.386 0.017 1.00 0.00 SOLV ATOM 807 H2 TIP3 261 12.055 -12.401 -0.893 1.00 0.00 SOLV ATOM 808 OH2 TIP3 262 8.076 -9.461 4.686 1.00 0.00 SOLV ATOM 809 H1 TIP3 262 8.066 -10.197 4.035 1.00 0.00 SOLV ATOM 810 H2 TIP3 262 8.301 -9.966 5.497 1.00 0.00 SOLV ATOM 811 OH2 TIP3 263 12.862 5.368 -11.726 1.00 0.00 SOLV ATOM 812 H1 TIP3 263 13.680 5.665 -11.267 1.00 0.00 SOLV ATOM 813 H2 TIP3 263 12.295 6.140 -11.652 1.00 0.00 SOLV ATOM 814 OH2 TIP3 264 6.777 0.202 -11.879 1.00 0.00 SOLV ATOM 815 H1 TIP3 264 7.752 0.225 -11.730 1.00 0.00 SOLV ATOM 816 H2 TIP3 264 6.729 -0.352 -12.664 1.00 0.00 SOLV ATOM 817 OH2 TIP3 265 5.564 4.930 -6.638 1.00 0.00 SOLV ATOM 818 H1 TIP3 265 4.942 4.637 -7.342 1.00 0.00 SOLV ATOM 819 H2 TIP3 265 5.673 4.093 -6.139 1.00 0.00 SOLV ATOM 820 OH2 TIP3 266 6.118 2.618 -5.253 1.00 0.00 SOLV ATOM 821 H1 TIP3 266 5.815 1.810 -4.801 1.00 0.00 SOLV ATOM 822 H2 TIP3 266 6.571 3.057 -4.511 1.00 0.00 SOLV ATOM 823 OH2 TIP3 267 5.950 -3.957 -2.569 1.00 0.00 SOLV ATOM 824 H1 TIP3 267 6.156 -4.065 -3.521 1.00 0.00 SOLV ATOM 825 H2 TIP3 267 6.824 -4.198 -2.176 1.00 0.00 SOLV ATOM 826 OH2 TIP3 268 5.839 -8.412 3.387 1.00 0.00 SOLV ATOM 827 H1 TIP3 268 6.665 -8.663 3.845 1.00 0.00 SOLV ATOM 828 H2 TIP3 268 5.314 -9.233 3.492 1.00 0.00 SOLV ATOM 829 OH2 TIP3 269 6.934 -10.153 -3.502 1.00 0.00 SOLV ATOM 830 H1 TIP3 269 7.419 -10.997 -3.636 1.00 0.00 SOLV ATOM 831 H2 TIP3 269 7.687 -9.559 -3.317 1.00 0.00 SOLV ATOM 832 OH2 TIP3 270 5.247 -7.222 -2.964 1.00 0.00 SOLV ATOM 833 H1 TIP3 270 5.970 -7.240 -3.620 1.00 0.00 SOLV ATOM 834 H2 TIP3 270 5.567 -6.543 -2.362 1.00 0.00 SOLV ATOM 835 OH2 TIP3 271 5.716 -11.425 -8.870 1.00 0.00 SOLV ATOM 836 H1 TIP3 271 4.833 -11.196 -8.536 1.00 0.00 SOLV ATOM 837 H2 TIP3 271 5.987 -10.566 -9.257 1.00 0.00 SOLV ATOM 838 OH2 TIP3 272 5.333 -12.880 -1.015 1.00 0.00 SOLV ATOM 839 H1 TIP3 272 5.064 -12.781 -0.087 1.00 0.00 SOLV ATOM 840 H2 TIP3 272 5.187 -11.974 -1.358 1.00 0.00 SOLV ATOM 841 OH2 TIP3 273 7.929 1.141 4.033 1.00 0.00 SOLV ATOM 842 H1 TIP3 273 7.015 1.399 3.803 1.00 0.00 SOLV ATOM 843 H2 TIP3 273 7.895 1.172 4.998 1.00 0.00 SOLV ATOM 844 OH2 TIP3 274 11.086 2.336 0.171 1.00 0.00 SOLV ATOM 845 H1 TIP3 274 10.836 3.221 -0.172 1.00 0.00 SOLV ATOM 846 H2 TIP3 274 11.990 2.508 0.454 1.00 0.00 SOLV ATOM 847 OH2 TIP3 275 8.148 5.370 0.318 1.00 0.00 SOLV ATOM 848 H1 TIP3 275 7.280 5.652 -0.042 1.00 0.00 SOLV ATOM 849 H2 TIP3 275 8.168 5.875 1.150 1.00 0.00 SOLV ATOM 850 OH2 TIP3 276 10.768 4.948 -0.519 1.00 0.00 SOLV ATOM 851 H1 TIP3 276 9.852 5.138 -0.215 1.00 0.00 SOLV ATOM 852 H2 TIP3 276 10.765 5.436 -1.374 1.00 0.00 SOLV ATOM 853 OH2 TIP3 277 7.633 3.673 -3.099 1.00 0.00 SOLV ATOM 854 H1 TIP3 277 7.701 3.227 -2.224 1.00 0.00 SOLV ATOM 855 H2 TIP3 277 8.413 3.269 -3.540 1.00 0.00 SOLV ATOM 856 OH2 TIP3 278 9.719 2.322 -4.228 1.00 0.00 SOLV ATOM 857 H1 TIP3 278 9.612 1.392 -3.917 1.00 0.00 SOLV ATOM 858 H2 TIP3 278 10.641 2.504 -3.936 1.00 0.00 SOLV ATOM 859 OH2 TIP3 279 12.323 2.782 -3.346 1.00 0.00 SOLV ATOM 860 H1 TIP3 279 12.914 2.053 -3.063 1.00 0.00 SOLV ATOM 861 H2 TIP3 279 12.473 3.440 -2.665 1.00 0.00 SOLV ATOM 862 OH2 TIP3 280 8.447 -12.935 -6.782 1.00 0.00 SOLV ATOM 863 H1 TIP3 280 7.630 -13.283 -7.196 1.00 0.00 SOLV ATOM 864 H2 TIP3 280 9.024 -13.715 -6.836 1.00 0.00 SOLV ATOM 865 OH2 TIP3 281 6.777 -12.920 -11.045 1.00 0.00 SOLV ATOM 866 H1 TIP3 281 7.518 -12.311 -11.264 1.00 0.00 SOLV ATOM 867 H2 TIP3 281 6.303 -12.384 -10.388 1.00 0.00 SOLV ATOM 868 OH2 TIP3 282 13.151 -12.745 -6.233 1.00 0.00 SOLV ATOM 869 H1 TIP3 282 13.341 -11.782 -6.212 1.00 0.00 SOLV ATOM 870 H2 TIP3 282 12.353 -12.798 -5.697 1.00 0.00 SOLV ATOM 871 OH2 TIP3 283 6.779 3.256 -9.749 1.00 0.00 SOLV ATOM 872 H1 TIP3 283 6.100 3.066 -10.410 1.00 0.00 SOLV ATOM 873 H2 TIP3 283 6.783 4.234 -9.776 1.00 0.00 SOLV ATOM 874 OH2 TIP3 284 8.851 -11.291 -11.597 1.00 0.00 SOLV ATOM 875 H1 TIP3 284 9.071 -11.276 -12.533 1.00 0.00 SOLV ATOM 876 H2 TIP3 284 9.677 -10.982 -11.173 1.00 0.00 SOLV ATOM 877 OH2 TIP3 285 8.043 -11.631 3.006 1.00 0.00 SOLV ATOM 878 H1 TIP3 285 7.289 -12.162 3.290 1.00 0.00 SOLV ATOM 879 H2 TIP3 285 8.775 -12.085 3.475 1.00 0.00 SOLV ATOM 880 OH2 TIP3 286 9.937 -12.955 4.601 1.00 0.00 SOLV ATOM 881 H1 TIP3 286 10.868 -12.937 4.353 1.00 0.00 SOLV ATOM 882 H2 TIP3 286 9.796 -13.929 4.654 1.00 0.00 SOLV ATOM 883 OH2 TIP3 287 8.616 3.562 -12.156 1.00 0.00 SOLV ATOM 884 H1 TIP3 287 8.224 4.316 -11.704 1.00 0.00 SOLV ATOM 885 H2 TIP3 287 8.634 2.900 -11.453 1.00 0.00 SOLV ATOM 886 OH2 TIP3 288 -13.365 12.025 -7.670 1.00 0.00 SOLV ATOM 887 H1 TIP3 288 -13.686 12.839 -7.214 1.00 0.00 SOLV ATOM 888 H2 TIP3 288 -13.598 11.343 -7.005 1.00 0.00 SOLV ATOM 889 OH2 TIP3 289 4.753 8.442 -1.607 1.00 0.00 SOLV ATOM 890 H1 TIP3 289 4.947 9.217 -1.037 1.00 0.00 SOLV ATOM 891 H2 TIP3 289 5.337 8.621 -2.374 1.00 0.00 SOLV ATOM 892 OH2 TIP3 290 -1.373 11.339 -2.640 1.00 0.00 SOLV ATOM 893 H1 TIP3 290 -1.182 10.387 -2.548 1.00 0.00 SOLV ATOM 894 H2 TIP3 290 -1.396 11.424 -3.615 1.00 0.00 SOLV ATOM 895 OH2 TIP3 291 -7.279 9.504 -5.013 1.00 0.00 SOLV ATOM 896 H1 TIP3 291 -7.480 10.359 -5.464 1.00 0.00 SOLV ATOM 897 H2 TIP3 291 -7.854 8.904 -5.498 1.00 0.00 SOLV ATOM 898 OH2 TIP3 292 0.008 9.554 -6.944 1.00 0.00 SOLV ATOM 899 H1 TIP3 292 0.434 9.328 -6.084 1.00 0.00 SOLV ATOM 900 H2 TIP3 292 0.728 10.023 -7.403 1.00 0.00 SOLV ATOM 901 OH2 TIP3 293 -11.042 11.901 -4.346 1.00 0.00 SOLV ATOM 902 H1 TIP3 293 -10.395 11.281 -3.944 1.00 0.00 SOLV ATOM 903 H2 TIP3 293 -11.092 11.560 -5.250 1.00 0.00 SOLV ATOM 904 OH2 TIP3 294 5.100 10.252 0.416 1.00 0.00 SOLV ATOM 905 H1 TIP3 294 4.368 10.860 0.186 1.00 0.00 SOLV ATOM 906 H2 TIP3 294 5.264 10.493 1.346 1.00 0.00 SOLV ATOM 907 OH2 TIP3 295 -9.202 8.490 -1.017 1.00 0.00 SOLV ATOM 908 H1 TIP3 295 -9.418 9.241 -1.607 1.00 0.00 SOLV ATOM 909 H2 TIP3 295 -9.891 8.581 -0.329 1.00 0.00 SOLV ATOM 910 OH2 TIP3 296 0.938 9.366 -4.396 1.00 0.00 SOLV ATOM 911 H1 TIP3 296 0.334 9.019 -3.711 1.00 0.00 SOLV ATOM 912 H2 TIP3 296 1.642 9.775 -3.852 1.00 0.00 SOLV ATOM 913 OH2 TIP3 297 -9.113 10.357 -3.094 1.00 0.00 SOLV ATOM 914 H1 TIP3 297 -8.623 10.967 -2.503 1.00 0.00 SOLV ATOM 915 H2 TIP3 297 -8.385 10.040 -3.664 1.00 0.00 SOLV ATOM 916 OH2 TIP3 298 2.239 7.985 -0.601 1.00 0.00 SOLV ATOM 917 H1 TIP3 298 1.564 8.189 -1.262 1.00 0.00 SOLV ATOM 918 H2 TIP3 298 3.068 8.104 -1.119 1.00 0.00 SOLV ATOM 919 OH2 TIP3 299 -5.945 5.513 -3.967 1.00 0.00 SOLV ATOM 920 H1 TIP3 299 -6.053 4.585 -3.670 1.00 0.00 SOLV ATOM 921 H2 TIP3 299 -6.675 5.939 -3.465 1.00 0.00 SOLV ATOM 922 OH2 TIP3 300 -3.297 12.856 -12.508 1.00 0.00 SOLV ATOM 923 H1 TIP3 300 -2.816 13.341 -11.830 1.00 0.00 SOLV ATOM 924 H2 TIP3 300 -2.633 12.249 -12.849 1.00 0.00 SOLV ATOM 925 OH2 TIP3 301 0.940 13.356 1.106 1.00 0.00 SOLV ATOM 926 H1 TIP3 301 0.591 14.208 1.398 1.00 0.00 SOLV ATOM 927 H2 TIP3 301 0.146 12.995 0.646 1.00 0.00 SOLV ATOM 928 OH2 TIP3 302 3.150 5.673 -10.696 1.00 0.00 SOLV ATOM 929 H1 TIP3 302 2.267 5.922 -10.354 1.00 0.00 SOLV ATOM 930 H2 TIP3 302 3.472 6.526 -11.049 1.00 0.00 SOLV ATOM 931 OH2 TIP3 303 2.232 11.772 3.083 1.00 0.00 SOLV ATOM 932 H1 TIP3 303 1.630 12.157 2.423 1.00 0.00 SOLV ATOM 933 H2 TIP3 303 2.244 10.831 2.803 1.00 0.00 SOLV ATOM 934 OH2 TIP3 304 -8.174 6.524 -2.688 1.00 0.00 SOLV ATOM 935 H1 TIP3 304 -9.003 6.464 -3.208 1.00 0.00 SOLV ATOM 936 H2 TIP3 304 -8.372 7.316 -2.146 1.00 0.00 SOLV ATOM 937 OH2 TIP3 305 -3.228 6.200 0.478 1.00 0.00 SOLV ATOM 938 H1 TIP3 305 -2.761 5.729 1.206 1.00 0.00 SOLV ATOM 939 H2 TIP3 305 -4.164 6.118 0.759 1.00 0.00 SOLV ATOM 940 OH2 TIP3 306 -0.347 10.294 1.599 1.00 0.00 SOLV ATOM 941 H1 TIP3 306 -0.958 10.163 2.358 1.00 0.00 SOLV ATOM 942 H2 TIP3 306 -0.801 10.980 1.071 1.00 0.00 SOLV ATOM 943 OH2 TIP3 307 -3.423 8.974 -11.972 1.00 0.00 SOLV ATOM 944 H1 TIP3 307 -3.967 8.706 -11.210 1.00 0.00 SOLV ATOM 945 H2 TIP3 307 -4.147 9.086 -12.611 1.00 0.00 SOLV ATOM 946 OH2 TIP3 308 -7.769 12.007 -1.386 1.00 0.00 SOLV ATOM 947 H1 TIP3 308 -8.477 11.861 -0.715 1.00 0.00 SOLV ATOM 948 H2 TIP3 308 -7.923 12.937 -1.652 1.00 0.00 SOLV ATOM 949 OH2 TIP3 309 -8.224 11.533 -6.484 1.00 0.00 SOLV ATOM 950 H1 TIP3 309 -9.158 11.608 -6.750 1.00 0.00 SOLV ATOM 951 H2 TIP3 309 -7.804 11.458 -7.363 1.00 0.00 SOLV ATOM 952 OH2 TIP3 310 -2.434 12.264 -7.781 1.00 0.00 SOLV ATOM 953 H1 TIP3 310 -2.659 13.207 -7.843 1.00 0.00 SOLV ATOM 954 H2 TIP3 310 -1.720 12.164 -8.444 1.00 0.00 SOLV ATOM 955 OH2 TIP3 311 -3.083 12.477 3.089 1.00 0.00 SOLV ATOM 956 H1 TIP3 311 -3.713 11.863 3.531 1.00 0.00 SOLV ATOM 957 H2 TIP3 311 -2.330 12.417 3.696 1.00 0.00 SOLV ATOM 958 OH2 TIP3 312 -1.412 11.280 -5.352 1.00 0.00 SOLV ATOM 959 H1 TIP3 312 -1.926 11.737 -6.048 1.00 0.00 SOLV ATOM 960 H2 TIP3 312 -1.013 10.569 -5.896 1.00 0.00 SOLV ATOM 961 OH2 TIP3 313 -9.858 11.263 0.220 1.00 0.00 SOLV ATOM 962 H1 TIP3 313 -9.992 11.836 0.980 1.00 0.00 SOLV ATOM 963 H2 TIP3 313 -10.338 10.457 0.500 1.00 0.00 SOLV ATOM 964 OH2 TIP3 314 -6.064 9.325 -12.888 1.00 0.00 SOLV ATOM 965 H1 TIP3 314 -6.686 9.072 -12.188 1.00 0.00 SOLV ATOM 966 H2 TIP3 314 -6.609 9.906 -13.442 1.00 0.00 SOLV ATOM 967 OH2 TIP3 315 -13.463 9.684 -6.109 1.00 0.00 SOLV ATOM 968 H1 TIP3 315 -12.916 9.453 -5.323 1.00 0.00 SOLV ATOM 969 H2 TIP3 315 -13.055 9.092 -6.768 1.00 0.00 SOLV ATOM 970 OH2 TIP3 316 -12.376 9.955 -10.204 1.00 0.00 SOLV ATOM 971 H1 TIP3 316 -11.853 10.406 -10.907 1.00 0.00 SOLV ATOM 972 H2 TIP3 316 -13.229 10.401 -10.316 1.00 0.00 SOLV ATOM 973 OH2 TIP3 317 -1.259 12.302 -0.081 1.00 0.00 SOLV ATOM 974 H1 TIP3 317 -1.214 12.039 -1.030 1.00 0.00 SOLV ATOM 975 H2 TIP3 317 -2.224 12.280 0.046 1.00 0.00 SOLV ATOM 976 OH2 TIP3 318 -4.670 8.995 -5.795 1.00 0.00 SOLV ATOM 977 H1 TIP3 318 -5.524 9.204 -5.353 1.00 0.00 SOLV ATOM 978 H2 TIP3 318 -4.108 8.757 -5.032 1.00 0.00 SOLV ATOM 979 OH2 TIP3 319 -10.716 11.500 -7.606 1.00 0.00 SOLV ATOM 980 H1 TIP3 319 -11.685 11.639 -7.701 1.00 0.00 SOLV ATOM 981 H2 TIP3 319 -10.529 11.047 -8.440 1.00 0.00 SOLV ATOM 982 OH2 TIP3 320 -7.269 10.858 -8.995 1.00 0.00 SOLV ATOM 983 H1 TIP3 320 -6.311 10.900 -8.798 1.00 0.00 SOLV ATOM 984 H2 TIP3 320 -7.329 11.389 -9.826 1.00 0.00 SOLV ATOM 985 OH2 TIP3 321 -0.878 8.617 -2.411 1.00 0.00 SOLV ATOM 986 H1 TIP3 321 -1.328 8.606 -1.537 1.00 0.00 SOLV ATOM 987 H2 TIP3 321 -1.559 8.184 -2.965 1.00 0.00 SOLV ATOM 988 OH2 TIP3 322 -7.595 12.057 -11.387 1.00 0.00 SOLV ATOM 989 H1 TIP3 322 -8.313 11.898 -12.007 1.00 0.00 SOLV ATOM 990 H2 TIP3 322 -7.032 12.678 -11.890 1.00 0.00 SOLV ATOM 991 OH2 TIP3 323 -4.466 11.766 -3.653 1.00 0.00 SOLV ATOM 992 H1 TIP3 323 -3.557 11.454 -3.706 1.00 0.00 SOLV ATOM 993 H2 TIP3 323 -4.829 11.193 -2.947 1.00 0.00 SOLV ATOM 994 OH2 TIP3 324 -5.485 10.547 -1.413 1.00 0.00 SOLV ATOM 995 H1 TIP3 324 -6.236 11.179 -1.358 1.00 0.00 SOLV ATOM 996 H2 TIP3 324 -4.880 10.879 -0.714 1.00 0.00 SOLV ATOM 997 OH2 TIP3 325 -0.833 9.275 -10.899 1.00 0.00 SOLV ATOM 998 H1 TIP3 325 -1.630 9.120 -11.451 1.00 0.00 SOLV ATOM 999 H2 TIP3 325 -0.924 10.218 -10.674 1.00 0.00 SOLV ATOM 1000 OH2 TIP3 326 -0.347 11.893 -9.702 1.00 0.00 SOLV ATOM 1001 H1 TIP3 326 0.457 11.457 -9.365 1.00 0.00 SOLV ATOM 1002 H2 TIP3 326 -0.006 12.791 -9.888 1.00 0.00 SOLV ATOM 1003 OH2 TIP3 327 4.267 11.777 -10.013 1.00 0.00 SOLV ATOM 1004 H1 TIP3 327 4.045 11.554 -10.956 1.00 0.00 SOLV ATOM 1005 H2 TIP3 327 3.984 12.722 -10.026 1.00 0.00 SOLV ATOM 1006 OH2 TIP3 328 -11.048 8.959 1.173 1.00 0.00 SOLV ATOM 1007 H1 TIP3 328 -11.737 9.399 1.710 1.00 0.00 SOLV ATOM 1008 H2 TIP3 328 -10.919 8.143 1.697 1.00 0.00 SOLV ATOM 1009 OH2 TIP3 329 -2.172 8.713 0.036 1.00 0.00 SOLV ATOM 1010 H1 TIP3 329 -1.498 8.774 0.732 1.00 0.00 SOLV ATOM 1011 H2 TIP3 329 -2.573 7.831 0.208 1.00 0.00 SOLV ATOM 1012 OH2 TIP3 330 -1.439 7.930 -8.566 1.00 0.00 SOLV ATOM 1013 H1 TIP3 330 -1.251 8.383 -9.417 1.00 0.00 SOLV ATOM 1014 H2 TIP3 330 -0.978 8.530 -7.934 1.00 0.00 SOLV ATOM 1015 OH2 TIP3 331 -4.630 10.605 -8.072 1.00 0.00 SOLV ATOM 1016 H1 TIP3 331 -3.874 11.225 -7.988 1.00 0.00 SOLV ATOM 1017 H2 TIP3 331 -4.622 10.190 -7.185 1.00 0.00 SOLV ATOM 1018 OH2 TIP3 332 -3.707 11.168 0.584 1.00 0.00 SOLV ATOM 1019 H1 TIP3 332 -3.556 11.443 1.507 1.00 0.00 SOLV ATOM 1020 H2 TIP3 332 -3.265 10.298 0.534 1.00 0.00 SOLV ATOM 1021 OH2 TIP3 333 -3.915 7.154 -7.680 1.00 0.00 SOLV ATOM 1022 H1 TIP3 333 -4.063 7.857 -7.009 1.00 0.00 SOLV ATOM 1023 H2 TIP3 333 -3.001 7.385 -7.977 1.00 0.00 SOLV ATOM 1024 OH2 TIP3 334 -7.675 8.600 -10.539 1.00 0.00 SOLV ATOM 1025 H1 TIP3 334 -7.771 9.416 -10.006 1.00 0.00 SOLV ATOM 1026 H2 TIP3 334 -6.746 8.380 -10.306 1.00 0.00 SOLV ATOM 1027 OH2 TIP3 335 2.154 9.338 1.810 1.00 0.00 SOLV ATOM 1028 H1 TIP3 335 1.202 9.583 1.770 1.00 0.00 SOLV ATOM 1029 H2 TIP3 335 2.268 8.975 0.914 1.00 0.00 SOLV ATOM 1030 OH2 TIP3 336 0.970 12.588 -4.293 1.00 0.00 SOLV ATOM 1031 H1 TIP3 336 0.285 11.976 -4.616 1.00 0.00 SOLV ATOM 1032 H2 TIP3 336 1.550 11.967 -3.799 1.00 0.00 SOLV ATOM 1033 OH2 TIP3 337 -11.368 11.617 -12.110 1.00 0.00 SOLV ATOM 1034 H1 TIP3 337 -11.610 12.524 -11.832 1.00 0.00 SOLV ATOM 1035 H2 TIP3 337 -11.136 11.737 -13.042 1.00 0.00 SOLV ATOM 1036 OH2 TIP3 338 -10.596 6.181 -3.939 1.00 0.00 SOLV ATOM 1037 H1 TIP3 338 -10.662 5.787 -4.818 1.00 0.00 SOLV ATOM 1038 H2 TIP3 338 -10.936 5.441 -3.390 1.00 0.00 SOLV ATOM 1039 OH2 TIP3 339 -7.559 12.936 1.665 1.00 0.00 SOLV ATOM 1040 H1 TIP3 339 -7.862 13.647 2.236 1.00 0.00 SOLV ATOM 1041 H2 TIP3 339 -6.917 13.405 1.093 1.00 0.00 SOLV ATOM 1042 OH2 TIP3 340 -5.929 13.335 -13.214 1.00 0.00 SOLV ATOM 1043 H1 TIP3 340 -6.179 12.522 -13.692 1.00 0.00 SOLV ATOM 1044 H2 TIP3 340 -4.991 13.167 -12.966 1.00 0.00 SOLV ATOM 1045 OH2 TIP3 341 -7.044 10.399 2.509 1.00 0.00 SOLV ATOM 1046 H1 TIP3 341 -6.947 9.775 1.759 1.00 0.00 SOLV ATOM 1047 H2 TIP3 341 -7.222 11.246 2.041 1.00 0.00 SOLV ATOM 1048 OH2 TIP3 342 -6.766 8.736 0.250 1.00 0.00 SOLV ATOM 1049 H1 TIP3 342 -6.236 9.211 -0.424 1.00 0.00 SOLV ATOM 1050 H2 TIP3 342 -7.635 8.674 -0.199 1.00 0.00 SOLV ATOM 1051 OH2 TIP3 343 -0.855 11.735 5.066 1.00 0.00 SOLV ATOM 1052 H1 TIP3 343 -1.109 10.843 4.755 1.00 0.00 SOLV ATOM 1053 H2 TIP3 343 0.084 11.750 4.838 1.00 0.00 SOLV ATOM 1054 OH2 TIP3 344 -8.624 11.103 4.691 1.00 0.00 SOLV ATOM 1055 H1 TIP3 344 -9.372 10.466 4.655 1.00 0.00 SOLV ATOM 1056 H2 TIP3 344 -8.113 10.834 3.894 1.00 0.00 SOLV ATOM 1057 OH2 TIP3 345 -6.037 6.141 0.806 1.00 0.00 SOLV ATOM 1058 H1 TIP3 345 -6.277 7.086 0.682 1.00 0.00 SOLV ATOM 1059 H2 TIP3 345 -6.800 5.691 0.397 1.00 0.00 SOLV ATOM 1060 OH2 TIP3 346 -4.660 10.436 3.978 1.00 0.00 SOLV ATOM 1061 H1 TIP3 346 -4.968 10.030 4.807 1.00 0.00 SOLV ATOM 1062 H2 TIP3 346 -5.491 10.398 3.460 1.00 0.00 SOLV ATOM 1063 OH2 TIP3 347 -1.994 9.606 3.618 1.00 0.00 SOLV ATOM 1064 H1 TIP3 347 -2.957 9.605 3.804 1.00 0.00 SOLV ATOM 1065 H2 TIP3 347 -1.672 8.870 4.173 1.00 0.00 SOLV ATOM 1066 OH2 TIP3 348 -0.248 8.232 5.388 1.00 0.00 SOLV ATOM 1067 H1 TIP3 348 -0.294 7.278 5.158 1.00 0.00 SOLV ATOM 1068 H2 TIP3 348 -0.544 8.249 6.314 1.00 0.00 SOLV ATOM 1069 OH2 TIP3 349 -10.479 9.028 4.631 1.00 0.00 SOLV ATOM 1070 H1 TIP3 349 -10.514 8.242 4.058 1.00 0.00 SOLV ATOM 1071 H2 TIP3 349 -10.366 8.606 5.509 1.00 0.00 SOLV ATOM 1072 OH2 TIP3 350 -6.243 5.502 3.472 1.00 0.00 SOLV ATOM 1073 H1 TIP3 350 -5.590 4.765 3.501 1.00 0.00 SOLV ATOM 1074 H2 TIP3 350 -6.142 5.738 2.527 1.00 0.00 SOLV ATOM 1075 OH2 TIP3 351 -4.874 7.484 4.891 1.00 0.00 SOLV ATOM 1076 H1 TIP3 351 -5.284 6.710 4.461 1.00 0.00 SOLV ATOM 1077 H2 TIP3 351 -5.662 8.021 5.113 1.00 0.00 SOLV ATOM 1078 OH2 TIP3 352 3.500 11.203 -12.507 1.00 0.00 SOLV ATOM 1079 H1 TIP3 352 3.282 11.795 -13.250 1.00 0.00 SOLV ATOM 1080 H2 TIP3 352 2.960 10.422 -12.727 1.00 0.00 SOLV ATOM 1081 OH2 TIP3 353 1.463 13.190 -7.188 1.00 0.00 SOLV ATOM 1082 H1 TIP3 353 1.758 12.289 -7.405 1.00 0.00 SOLV ATOM 1083 H2 TIP3 353 1.936 13.358 -6.358 1.00 0.00 SOLV ATOM 1084 OH2 TIP3 354 4.638 12.450 4.116 1.00 0.00 SOLV ATOM 1085 H1 TIP3 354 3.771 12.305 3.675 1.00 0.00 SOLV ATOM 1086 H2 TIP3 354 5.168 11.724 3.724 1.00 0.00 SOLV ATOM 1087 OH2 TIP3 355 1.658 9.123 -12.731 1.00 0.00 SOLV ATOM 1088 H1 TIP3 355 2.374 8.502 -12.508 1.00 0.00 SOLV ATOM 1089 H2 TIP3 355 1.012 8.954 -12.022 1.00 0.00 SOLV ATOM 1090 OH2 TIP3 356 2.085 10.676 -8.508 1.00 0.00 SOLV ATOM 1091 H1 TIP3 356 2.361 9.730 -8.496 1.00 0.00 SOLV ATOM 1092 H2 TIP3 356 2.845 11.049 -8.998 1.00 0.00 SOLV ATOM 1093 OH2 TIP3 357 2.629 10.938 -2.842 1.00 0.00 SOLV ATOM 1094 H1 TIP3 357 3.565 11.222 -2.969 1.00 0.00 SOLV ATOM 1095 H2 TIP3 357 2.565 11.088 -1.880 1.00 0.00 SOLV ATOM 1096 OH2 TIP3 358 2.910 11.945 -0.288 1.00 0.00 SOLV ATOM 1097 H1 TIP3 358 2.135 12.361 0.141 1.00 0.00 SOLV ATOM 1098 H2 TIP3 358 3.312 12.690 -0.757 1.00 0.00 SOLV ATOM 1099 OH2 TIP3 359 -12.509 10.261 3.322 1.00 0.00 SOLV ATOM 1100 H1 TIP3 359 -11.811 9.899 3.904 1.00 0.00 SOLV ATOM 1101 H2 TIP3 359 -13.276 10.249 3.915 1.00 0.00 SOLV ATOM 1102 OH2 TIP3 360 5.093 6.102 5.196 1.00 0.00 SOLV ATOM 1103 H1 TIP3 360 5.809 5.594 4.754 1.00 0.00 SOLV ATOM 1104 H2 TIP3 360 4.978 6.838 4.554 1.00 0.00 SOLV ATOM 1105 OH2 TIP3 361 2.900 8.045 -8.373 1.00 0.00 SOLV ATOM 1106 H1 TIP3 361 3.064 7.617 -7.505 1.00 0.00 SOLV ATOM 1107 H2 TIP3 361 2.205 7.446 -8.723 1.00 0.00 SOLV ATOM 1108 OH2 TIP3 362 -11.717 8.776 -4.242 1.00 0.00 SOLV ATOM 1109 H1 TIP3 362 -11.274 7.946 -3.984 1.00 0.00 SOLV ATOM 1110 H2 TIP3 362 -11.780 9.258 -3.399 1.00 0.00 SOLV ATOM 1111 OH2 TIP3 363 -12.945 10.865 -2.426 1.00 0.00 SOLV ATOM 1112 H1 TIP3 363 -12.372 11.430 -2.965 1.00 0.00 SOLV ATOM 1113 H2 TIP3 363 -13.713 11.433 -2.275 1.00 0.00 SOLV ATOM 1114 OH2 TIP3 364 4.400 8.007 3.369 1.00 0.00 SOLV ATOM 1115 H1 TIP3 364 3.582 8.440 3.698 1.00 0.00 SOLV ATOM 1116 H2 TIP3 364 4.053 7.552 2.576 1.00 0.00 SOLV ATOM 1117 OH2 TIP3 365 4.285 8.072 -11.808 1.00 0.00 SOLV ATOM 1118 H1 TIP3 365 4.857 8.090 -12.603 1.00 0.00 SOLV ATOM 1119 H2 TIP3 365 4.819 8.651 -11.236 1.00 0.00 SOLV ATOM 1120 OH2 TIP3 366 -12.863 8.111 -8.313 1.00 0.00 SOLV ATOM 1121 H1 TIP3 366 -13.817 8.180 -8.424 1.00 0.00 SOLV ATOM 1122 H2 TIP3 366 -12.551 8.815 -8.931 1.00 0.00 SOLV ATOM 1123 OH2 TIP3 367 3.327 6.376 1.386 1.00 0.00 SOLV ATOM 1124 H1 TIP3 367 2.956 7.110 0.858 1.00 0.00 SOLV ATOM 1125 H2 TIP3 367 2.780 5.656 0.990 1.00 0.00 SOLV ATOM 1126 OH2 TIP3 368 -2.851 7.571 -4.141 1.00 0.00 SOLV ATOM 1127 H1 TIP3 368 -3.417 6.790 -4.120 1.00 0.00 SOLV ATOM 1128 H2 TIP3 368 -2.060 7.220 -4.611 1.00 0.00 SOLV ATOM 1129 OH2 TIP3 369 1.916 5.817 -4.180 1.00 0.00 SOLV ATOM 1130 H1 TIP3 369 2.527 6.363 -4.721 1.00 0.00 SOLV ATOM 1131 H2 TIP3 369 1.053 6.217 -4.389 1.00 0.00 SOLV ATOM 1132 OH2 TIP3 370 3.652 6.844 -6.012 1.00 0.00 SOLV ATOM 1133 H1 TIP3 370 4.358 6.187 -6.189 1.00 0.00 SOLV ATOM 1134 H2 TIP3 370 4.202 7.646 -5.855 1.00 0.00 SOLV ATOM 1135 OH2 TIP3 371 -12.035 6.209 -10.236 1.00 0.00 SOLV ATOM 1136 H1 TIP3 371 -11.310 6.663 -10.732 1.00 0.00 SOLV ATOM 1137 H2 TIP3 371 -12.184 6.838 -9.506 1.00 0.00 SOLV ATOM 1138 OH2 TIP3 372 -6.398 6.370 -6.627 1.00 0.00 SOLV ATOM 1139 H1 TIP3 372 -5.541 6.681 -6.981 1.00 0.00 SOLV ATOM 1140 H2 TIP3 372 -6.154 6.170 -5.695 1.00 0.00 SOLV ATOM 1141 OH2 TIP3 373 -0.703 6.308 -5.265 1.00 0.00 SOLV ATOM 1142 H1 TIP3 373 -0.442 6.074 -6.165 1.00 0.00 SOLV ATOM 1143 H2 TIP3 373 -1.072 5.449 -4.946 1.00 0.00 SOLV ATOM 1144 OH2 TIP3 374 0.882 6.384 -9.200 1.00 0.00 SOLV ATOM 1145 H1 TIP3 374 0.054 6.892 -9.119 1.00 0.00 SOLV ATOM 1146 H2 TIP3 374 0.529 5.489 -9.001 1.00 0.00 SOLV ATOM 1147 OH2 TIP3 375 -10.000 7.470 -11.513 1.00 0.00 SOLV ATOM 1148 H1 TIP3 375 -9.764 7.402 -12.446 1.00 0.00 SOLV ATOM 1149 H2 TIP3 375 -9.221 7.942 -11.152 1.00 0.00 SOLV ATOM 1150 OH2 TIP3 376 -5.060 8.501 -9.776 1.00 0.00 SOLV ATOM 1151 H1 TIP3 376 -4.733 7.828 -9.151 1.00 0.00 SOLV ATOM 1152 H2 TIP3 376 -4.901 9.318 -9.255 1.00 0.00 SOLV ATOM 1153 OH2 TIP3 377 -10.619 6.743 2.842 1.00 0.00 SOLV ATOM 1154 H1 TIP3 377 -11.144 6.014 3.239 1.00 0.00 SOLV ATOM 1155 H2 TIP3 377 -9.770 6.582 3.313 1.00 0.00 SOLV ATOM 1156 OH2 TIP3 378 -8.700 6.030 4.631 1.00 0.00 SOLV ATOM 1157 H1 TIP3 378 -7.796 5.858 4.277 1.00 0.00 SOLV ATOM 1158 H2 TIP3 378 -8.900 5.178 5.065 1.00 0.00 SOLV ATOM 1159 OH2 TIP3 379 -0.079 5.605 4.540 1.00 0.00 SOLV ATOM 1160 H1 TIP3 379 -0.268 5.125 5.383 1.00 0.00 SOLV ATOM 1161 H2 TIP3 379 0.874 5.410 4.428 1.00 0.00 SOLV ATOM 1162 OH2 TIP3 380 6.234 12.926 -8.104 1.00 0.00 SOLV ATOM 1163 H1 TIP3 380 6.073 13.848 -8.401 1.00 0.00 SOLV ATOM 1164 H2 TIP3 380 5.581 12.455 -8.649 1.00 0.00 SOLV ATOM 1165 OH2 TIP3 381 10.730 9.291 -5.196 1.00 0.00 SOLV ATOM 1166 H1 TIP3 381 11.617 9.546 -5.498 1.00 0.00 SOLV ATOM 1167 H2 TIP3 381 10.287 9.025 -6.023 1.00 0.00 SOLV ATOM 1168 OH2 TIP3 382 7.497 12.046 -4.186 1.00 0.00 SOLV ATOM 1169 H1 TIP3 382 8.048 11.383 -3.725 1.00 0.00 SOLV ATOM 1170 H2 TIP3 382 7.586 11.732 -5.108 1.00 0.00 SOLV ATOM 1171 OH2 TIP3 383 9.810 8.556 -0.946 1.00 0.00 SOLV ATOM 1172 H1 TIP3 383 9.493 9.189 -1.618 1.00 0.00 SOLV ATOM 1173 H2 TIP3 383 9.071 8.600 -0.302 1.00 0.00 SOLV ATOM 1174 OH2 TIP3 384 9.181 10.130 -3.133 1.00 0.00 SOLV ATOM 1175 H1 TIP3 384 9.790 10.751 -2.666 1.00 0.00 SOLV ATOM 1176 H2 TIP3 384 9.776 9.811 -3.857 1.00 0.00 SOLV ATOM 1177 OH2 TIP3 385 10.577 6.550 -2.684 1.00 0.00 SOLV ATOM 1178 H1 TIP3 385 9.761 6.574 -3.220 1.00 0.00 SOLV ATOM 1179 H2 TIP3 385 10.443 7.335 -2.117 1.00 0.00 SOLV ATOM 1180 OH2 TIP3 386 10.693 11.793 -1.632 1.00 0.00 SOLV ATOM 1181 H1 TIP3 386 10.114 11.751 -0.839 1.00 0.00 SOLV ATOM 1182 H2 TIP3 386 10.728 12.759 -1.785 1.00 0.00 SOLV ATOM 1183 OH2 TIP3 387 10.708 11.899 -6.973 1.00 0.00 SOLV ATOM 1184 H1 TIP3 387 9.918 11.390 -6.729 1.00 0.00 SOLV ATOM 1185 H2 TIP3 387 11.011 11.454 -7.775 1.00 0.00 SOLV ATOM 1186 OH2 TIP3 388 8.867 11.468 0.407 1.00 0.00 SOLV ATOM 1187 H1 TIP3 388 8.821 11.735 1.328 1.00 0.00 SOLV ATOM 1188 H2 TIP3 388 8.430 10.595 0.441 1.00 0.00 SOLV ATOM 1189 OH2 TIP3 389 12.012 9.370 -12.738 1.00 0.00 SOLV ATOM 1190 H1 TIP3 389 11.304 9.583 -12.114 1.00 0.00 SOLV ATOM 1191 H2 TIP3 389 11.749 9.957 -13.478 1.00 0.00 SOLV ATOM 1192 OH2 TIP3 390 5.453 8.831 -5.901 1.00 0.00 SOLV ATOM 1193 H1 TIP3 390 5.987 8.914 -5.085 1.00 0.00 SOLV ATOM 1194 H2 TIP3 390 6.096 8.575 -6.575 1.00 0.00 SOLV ATOM 1195 OH2 TIP3 391 6.116 9.857 -10.514 1.00 0.00 SOLV ATOM 1196 H1 TIP3 391 6.813 10.365 -10.971 1.00 0.00 SOLV ATOM 1197 H2 TIP3 391 5.488 10.575 -10.288 1.00 0.00 SOLV ATOM 1198 OH2 TIP3 392 8.076 11.050 -6.764 1.00 0.00 SOLV ATOM 1199 H1 TIP3 392 7.389 11.370 -7.376 1.00 0.00 SOLV ATOM 1200 H2 TIP3 392 8.254 10.141 -7.083 1.00 0.00 SOLV ATOM 1201 OH2 TIP3 393 12.007 10.951 -9.580 1.00 0.00 SOLV ATOM 1202 H1 TIP3 393 12.580 11.599 -9.120 1.00 0.00 SOLV ATOM 1203 H2 TIP3 393 11.579 11.497 -10.287 1.00 0.00 SOLV ATOM 1204 OH2 TIP3 394 10.667 11.826 -11.704 1.00 0.00 SOLV ATOM 1205 H1 TIP3 394 9.696 11.734 -11.774 1.00 0.00 SOLV ATOM 1206 H2 TIP3 394 10.938 11.885 -12.633 1.00 0.00 SOLV ATOM 1207 OH2 TIP3 395 9.154 8.554 -7.442 1.00 0.00 SOLV ATOM 1208 H1 TIP3 395 8.764 7.696 -7.163 1.00 0.00 SOLV ATOM 1209 H2 TIP3 395 9.477 8.329 -8.327 1.00 0.00 SOLV ATOM 1210 OH2 TIP3 396 7.636 8.993 0.672 1.00 0.00 SOLV ATOM 1211 H1 TIP3 396 6.717 9.303 0.542 1.00 0.00 SOLV ATOM 1212 H2 TIP3 396 7.547 8.362 1.405 1.00 0.00 SOLV ATOM 1213 OH2 TIP3 397 10.957 8.542 -10.367 1.00 0.00 SOLV ATOM 1214 H1 TIP3 397 11.150 9.428 -9.993 1.00 0.00 SOLV ATOM 1215 H2 TIP3 397 11.751 8.407 -10.907 1.00 0.00 SOLV ATOM 1216 OH2 TIP3 398 7.878 11.738 -11.917 1.00 0.00 SOLV ATOM 1217 H1 TIP3 398 7.495 12.577 -11.563 1.00 0.00 SOLV ATOM 1218 H2 TIP3 398 7.649 11.807 -12.854 1.00 0.00 SOLV ATOM 1219 OH2 TIP3 399 8.110 6.368 -3.922 1.00 0.00 SOLV ATOM 1220 H1 TIP3 399 8.156 6.242 -4.893 1.00 0.00 SOLV ATOM 1221 H2 TIP3 399 7.859 5.476 -3.613 1.00 0.00 SOLV ATOM 1222 OH2 TIP3 400 11.365 13.035 1.777 1.00 0.00 SOLV ATOM 1223 H1 TIP3 400 10.597 13.594 1.634 1.00 0.00 SOLV ATOM 1224 H2 TIP3 400 11.999 13.466 1.161 1.00 0.00 SOLV ATOM 1225 OH2 TIP3 401 11.260 10.376 2.456 1.00 0.00 SOLV ATOM 1226 H1 TIP3 401 11.703 9.807 1.801 1.00 0.00 SOLV ATOM 1227 H2 TIP3 401 11.430 11.270 2.084 1.00 0.00 SOLV ATOM 1228 OH2 TIP3 402 12.318 8.746 0.191 1.00 0.00 SOLV ATOM 1229 H1 TIP3 402 12.797 9.305 -0.436 1.00 0.00 SOLV ATOM 1230 H2 TIP3 402 11.427 8.705 -0.220 1.00 0.00 SOLV ATOM 1231 OH2 TIP3 403 9.809 11.305 4.553 1.00 0.00 SOLV ATOM 1232 H1 TIP3 403 9.133 10.603 4.628 1.00 0.00 SOLV ATOM 1233 H2 TIP3 403 10.309 10.987 3.767 1.00 0.00 SOLV ATOM 1234 OH2 TIP3 404 13.109 6.064 0.696 1.00 0.00 SOLV ATOM 1235 H1 TIP3 404 12.922 7.022 0.591 1.00 0.00 SOLV ATOM 1236 H2 TIP3 404 12.313 5.678 0.280 1.00 0.00 SOLV ATOM 1237 OH2 TIP3 405 8.049 9.102 4.488 1.00 0.00 SOLV ATOM 1238 H1 TIP3 405 8.125 8.316 3.915 1.00 0.00 SOLV ATOM 1239 H2 TIP3 405 8.238 8.704 5.364 1.00 0.00 SOLV ATOM 1240 OH2 TIP3 406 12.779 5.554 3.431 1.00 0.00 SOLV ATOM 1241 H1 TIP3 406 13.630 5.148 3.680 1.00 0.00 SOLV ATOM 1242 H2 TIP3 406 12.919 5.711 2.476 1.00 0.00 SOLV ATOM 1243 OH2 TIP3 407 5.941 10.253 3.131 1.00 0.00 SOLV ATOM 1244 H1 TIP3 407 6.748 9.983 3.618 1.00 0.00 SOLV ATOM 1245 H2 TIP3 407 5.406 9.435 3.234 1.00 0.00 SOLV ATOM 1246 OH2 TIP3 408 6.824 8.736 -3.495 1.00 0.00 SOLV ATOM 1247 H1 TIP3 408 7.245 7.852 -3.578 1.00 0.00 SOLV ATOM 1248 H2 TIP3 408 7.612 9.286 -3.312 1.00 0.00 SOLV ATOM 1249 OH2 TIP3 409 5.115 12.066 -2.691 1.00 0.00 SOLV ATOM 1250 H1 TIP3 409 5.972 12.042 -3.156 1.00 0.00 SOLV ATOM 1251 H2 TIP3 409 5.271 12.831 -2.094 1.00 0.00 SOLV ATOM 1252 OH2 TIP3 410 5.713 7.835 -8.751 1.00 0.00 SOLV ATOM 1253 H1 TIP3 410 4.753 7.964 -8.627 1.00 0.00 SOLV ATOM 1254 H2 TIP3 410 5.941 8.605 -9.313 1.00 0.00 SOLV ATOM 1255 OH2 TIP3 411 5.561 6.134 -0.349 1.00 0.00 SOLV ATOM 1256 H1 TIP3 411 4.870 6.133 0.340 1.00 0.00 SOLV ATOM 1257 H2 TIP3 411 5.341 6.963 -0.827 1.00 0.00 SOLV ATOM 1258 OH2 TIP3 412 8.130 6.019 -6.674 1.00 0.00 SOLV ATOM 1259 H1 TIP3 412 7.187 5.780 -6.810 1.00 0.00 SOLV ATOM 1260 H2 TIP3 412 8.544 5.138 -6.791 1.00 0.00 SOLV ATOM 1261 OH2 TIP3 413 6.706 5.880 -10.512 1.00 0.00 SOLV ATOM 1262 H1 TIP3 413 7.376 6.452 -10.952 1.00 0.00 SOLV ATOM 1263 H2 TIP3 413 6.347 6.512 -9.850 1.00 0.00 SOLV ATOM 1264 OH2 TIP3 414 12.373 5.974 -6.479 1.00 0.00 SOLV ATOM 1265 H1 TIP3 414 13.230 6.379 -6.648 1.00 0.00 SOLV ATOM 1266 H2 TIP3 414 12.158 6.287 -5.590 1.00 0.00 SOLV ATOM 1267 OH2 TIP3 415 8.669 7.316 -11.718 1.00 0.00 SOLV ATOM 1268 H1 TIP3 415 8.933 7.168 -12.636 1.00 0.00 SOLV ATOM 1269 H2 TIP3 415 9.438 7.769 -11.325 1.00 0.00 SOLV ATOM 1270 OH2 TIP3 416 8.114 6.769 2.814 1.00 0.00 SOLV ATOM 1271 H1 TIP3 416 7.560 6.014 3.105 1.00 0.00 SOLV ATOM 1272 H2 TIP3 416 8.951 6.544 3.276 1.00 0.00 SOLV ATOM 1273 OH2 TIP3 417 10.211 5.992 4.537 1.00 0.00 SOLV ATOM 1274 H1 TIP3 417 11.111 5.935 4.147 1.00 0.00 SOLV ATOM 1275 H2 TIP3 417 10.137 5.094 4.901 1.00 0.00 SOLV ATOM 1276 OH2 TIP3 418 -1.130 -3.240 11.993 1.00 0.00 SOLV ATOM 1277 H1 TIP3 418 -1.346 -2.293 11.833 1.00 0.00 SOLV ATOM 1278 H2 TIP3 418 -1.832 -3.650 11.444 1.00 0.00 SOLV ATOM 1279 OH2 TIP3 419 -13.113 -6.867 11.251 1.00 0.00 SOLV ATOM 1280 H1 TIP3 419 -12.563 -6.145 11.626 1.00 0.00 SOLV ATOM 1281 H2 TIP3 419 -13.894 -6.790 11.827 1.00 0.00 SOLV ATOM 1282 OH2 TIP3 420 -11.956 -4.794 12.472 1.00 0.00 SOLV ATOM 1283 H1 TIP3 420 -11.934 -4.572 13.428 1.00 0.00 SOLV ATOM 1284 H2 TIP3 420 -12.304 -3.983 12.085 1.00 0.00 SOLV ATOM 1285 OH2 TIP3 421 -0.035 -9.289 11.891 1.00 0.00 SOLV ATOM 1286 H1 TIP3 421 0.101 -9.459 12.834 1.00 0.00 SOLV ATOM 1287 H2 TIP3 421 0.784 -8.819 11.682 1.00 0.00 SOLV ATOM 1288 OH2 TIP3 422 -1.641 -0.791 10.826 1.00 0.00 SOLV ATOM 1289 H1 TIP3 422 -1.860 -0.790 9.874 1.00 0.00 SOLV ATOM 1290 H2 TIP3 422 -2.141 0.009 11.098 1.00 0.00 SOLV ATOM 1291 OH2 TIP3 423 -11.826 -0.808 9.693 1.00 0.00 SOLV ATOM 1292 H1 TIP3 423 -12.064 -0.436 8.826 1.00 0.00 SOLV ATOM 1293 H2 TIP3 423 -11.702 -0.010 10.242 1.00 0.00 SOLV ATOM 1294 OH2 TIP3 424 -0.309 2.627 11.974 1.00 0.00 SOLV ATOM 1295 H1 TIP3 424 0.104 1.737 12.060 1.00 0.00 SOLV ATOM 1296 H2 TIP3 424 0.293 3.142 12.542 1.00 0.00 SOLV ATOM 1297 OH2 TIP3 425 0.709 0.130 12.107 1.00 0.00 SOLV ATOM 1298 H1 TIP3 425 -0.056 -0.312 11.690 1.00 0.00 SOLV ATOM 1299 H2 TIP3 425 0.859 -0.416 12.902 1.00 0.00 SOLV ATOM 1300 OH2 TIP3 426 -2.760 -4.231 10.021 1.00 0.00 SOLV ATOM 1301 H1 TIP3 426 -3.448 -3.582 9.747 1.00 0.00 SOLV ATOM 1302 H2 TIP3 426 -2.182 -4.239 9.239 1.00 0.00 SOLV ATOM 1303 OH2 TIP3 427 -2.796 -5.500 6.531 1.00 0.00 SOLV ATOM 1304 H1 TIP3 427 -2.177 -5.254 7.242 1.00 0.00 SOLV ATOM 1305 H2 TIP3 427 -2.220 -6.077 5.987 1.00 0.00 SOLV ATOM 1306 OH2 TIP3 428 0.903 -4.029 10.353 1.00 0.00 SOLV ATOM 1307 H1 TIP3 428 0.240 -3.734 11.017 1.00 0.00 SOLV ATOM 1308 H2 TIP3 428 1.597 -4.400 10.917 1.00 0.00 SOLV ATOM 1309 OH2 TIP3 429 -7.626 -3.815 12.265 1.00 0.00 SOLV ATOM 1310 H1 TIP3 429 -8.034 -3.936 11.386 1.00 0.00 SOLV ATOM 1311 H2 TIP3 429 -7.491 -4.740 12.522 1.00 0.00 SOLV ATOM 1312 OH2 TIP3 430 -0.637 -4.719 8.175 1.00 0.00 SOLV ATOM 1313 H1 TIP3 430 -0.015 -4.352 8.843 1.00 0.00 SOLV ATOM 1314 H2 TIP3 430 -0.155 -4.529 7.339 1.00 0.00 SOLV ATOM 1315 OH2 TIP3 431 -2.765 1.664 11.319 1.00 0.00 SOLV ATOM 1316 H1 TIP3 431 -1.886 2.067 11.473 1.00 0.00 SOLV ATOM 1317 H2 TIP3 431 -3.251 2.453 11.003 1.00 0.00 SOLV ATOM 1318 OH2 TIP3 432 3.486 -12.846 8.834 1.00 0.00 SOLV ATOM 1319 H1 TIP3 432 2.589 -12.593 9.125 1.00 0.00 SOLV ATOM 1320 H2 TIP3 432 3.681 -12.168 8.153 1.00 0.00 SOLV ATOM 1321 OH2 TIP3 433 -8.623 -4.443 9.795 1.00 0.00 SOLV ATOM 1322 H1 TIP3 433 -9.256 -3.818 9.368 1.00 0.00 SOLV ATOM 1323 H2 TIP3 433 -9.088 -5.283 9.706 1.00 0.00 SOLV ATOM 1324 OH2 TIP3 434 4.329 1.181 6.832 1.00 0.00 SOLV ATOM 1325 H1 TIP3 434 4.507 2.147 6.805 1.00 0.00 SOLV ATOM 1326 H2 TIP3 434 5.236 0.820 6.747 1.00 0.00 SOLV ATOM 1327 OH2 TIP3 435 -3.266 4.297 10.545 1.00 0.00 SOLV ATOM 1328 H1 TIP3 435 -3.446 4.379 9.579 1.00 0.00 SOLV ATOM 1329 H2 TIP3 435 -3.411 5.218 10.824 1.00 0.00 SOLV ATOM 1330 OH2 TIP3 436 -9.955 3.764 12.203 1.00 0.00 SOLV ATOM 1331 H1 TIP3 436 -9.939 3.562 13.171 1.00 0.00 SOLV ATOM 1332 H2 TIP3 436 -10.440 2.989 11.865 1.00 0.00 SOLV ATOM 1333 OH2 TIP3 437 -0.345 4.343 6.907 1.00 0.00 SOLV ATOM 1334 H1 TIP3 437 0.152 3.532 6.660 1.00 0.00 SOLV ATOM 1335 H2 TIP3 437 -0.484 4.193 7.864 1.00 0.00 SOLV ATOM 1336 OH2 TIP3 438 -0.635 4.026 9.654 1.00 0.00 SOLV ATOM 1337 H1 TIP3 438 -1.587 4.131 9.852 1.00 0.00 SOLV ATOM 1338 H2 TIP3 438 -0.383 3.454 10.410 1.00 0.00 SOLV ATOM 1339 OH2 TIP3 439 0.637 -4.521 5.724 1.00 0.00 SOLV ATOM 1340 H1 TIP3 439 0.612 -4.268 4.777 1.00 0.00 SOLV ATOM 1341 H2 TIP3 439 1.528 -4.181 5.959 1.00 0.00 SOLV ATOM 1342 OH2 TIP3 440 -3.666 -10.345 7.007 1.00 0.00 SOLV ATOM 1343 H1 TIP3 440 -4.277 -10.515 7.754 1.00 0.00 SOLV ATOM 1344 H2 TIP3 440 -4.088 -10.865 6.299 1.00 0.00 SOLV ATOM 1345 OH2 TIP3 441 -7.652 -7.071 12.445 1.00 0.00 SOLV ATOM 1346 H1 TIP3 441 -8.616 -7.238 12.432 1.00 0.00 SOLV ATOM 1347 H2 TIP3 441 -7.456 -7.253 11.500 1.00 0.00 SOLV ATOM 1348 OH2 TIP3 442 -2.624 -6.838 10.947 1.00 0.00 SOLV ATOM 1349 H1 TIP3 442 -2.761 -5.898 10.707 1.00 0.00 SOLV ATOM 1350 H2 TIP3 442 -1.860 -7.069 10.386 1.00 0.00 SOLV ATOM 1351 OH2 TIP3 443 -6.656 -9.600 5.747 1.00 0.00 SOLV ATOM 1352 H1 TIP3 443 -7.022 -9.796 6.635 1.00 0.00 SOLV ATOM 1353 H2 TIP3 443 -7.288 -8.912 5.461 1.00 0.00 SOLV ATOM 1354 OH2 TIP3 444 -12.717 -10.403 12.266 1.00 0.00 SOLV ATOM 1355 H1 TIP3 444 -12.889 -9.553 12.720 1.00 0.00 SOLV ATOM 1356 H2 TIP3 444 -11.757 -10.488 12.360 1.00 0.00 SOLV ATOM 1357 OH2 TIP3 445 -12.032 -8.877 8.727 1.00 0.00 SOLV ATOM 1358 H1 TIP3 445 -11.550 -8.609 7.921 1.00 0.00 SOLV ATOM 1359 H2 TIP3 445 -12.695 -8.181 8.733 1.00 0.00 SOLV ATOM 1360 OH2 TIP3 446 -10.291 -7.907 11.974 1.00 0.00 SOLV ATOM 1361 H1 TIP3 446 -10.971 -7.831 11.282 1.00 0.00 SOLV ATOM 1362 H2 TIP3 446 -9.998 -8.834 11.872 1.00 0.00 SOLV ATOM 1363 OH2 TIP3 447 -7.262 -7.804 9.799 1.00 0.00 SOLV ATOM 1364 H1 TIP3 447 -6.299 -7.942 9.873 1.00 0.00 SOLV ATOM 1365 H2 TIP3 447 -7.349 -7.408 8.901 1.00 0.00 SOLV ATOM 1366 OH2 TIP3 448 -7.545 -6.865 7.270 1.00 0.00 SOLV ATOM 1367 H1 TIP3 448 -8.042 -7.099 6.462 1.00 0.00 SOLV ATOM 1368 H2 TIP3 448 -6.824 -6.322 6.885 1.00 0.00 SOLV ATOM 1369 OH2 TIP3 449 -9.505 -10.624 12.091 1.00 0.00 SOLV ATOM 1370 H1 TIP3 449 -9.877 -11.500 11.823 1.00 0.00 SOLV ATOM 1371 H2 TIP3 449 -8.602 -10.715 11.760 1.00 0.00 SOLV ATOM 1372 OH2 TIP3 450 -4.649 -2.342 9.283 1.00 0.00 SOLV ATOM 1373 H1 TIP3 450 -5.432 -2.618 8.758 1.00 0.00 SOLV ATOM 1374 H2 TIP3 450 -5.076 -2.079 10.131 1.00 0.00 SOLV ATOM 1375 OH2 TIP3 451 -1.150 -9.461 7.534 1.00 0.00 SOLV ATOM 1376 H1 TIP3 451 -2.120 -9.557 7.384 1.00 0.00 SOLV ATOM 1377 H2 TIP3 451 -1.074 -8.597 7.990 1.00 0.00 SOLV ATOM 1378 OH2 TIP3 452 -0.452 -7.313 9.167 1.00 0.00 SOLV ATOM 1379 H1 TIP3 452 0.448 -7.441 9.525 1.00 0.00 SOLV ATOM 1380 H2 TIP3 452 -0.397 -6.414 8.788 1.00 0.00 SOLV ATOM 1381 OH2 TIP3 453 -2.898 -0.463 8.304 1.00 0.00 SOLV ATOM 1382 H1 TIP3 453 -3.377 0.377 8.404 1.00 0.00 SOLV ATOM 1383 H2 TIP3 453 -3.589 -1.115 8.557 1.00 0.00 SOLV ATOM 1384 OH2 TIP3 454 4.269 -6.886 8.790 1.00 0.00 SOLV ATOM 1385 H1 TIP3 454 3.838 -7.084 7.921 1.00 0.00 SOLV ATOM 1386 H2 TIP3 454 4.513 -5.951 8.603 1.00 0.00 SOLV ATOM 1387 OH2 TIP3 455 3.189 1.525 9.381 1.00 0.00 SOLV ATOM 1388 H1 TIP3 455 2.517 0.857 9.575 1.00 0.00 SOLV ATOM 1389 H2 TIP3 455 3.464 1.287 8.474 1.00 0.00 SOLV ATOM 1390 OH2 TIP3 456 -7.463 0.591 11.911 1.00 0.00 SOLV ATOM 1391 H1 TIP3 456 -7.151 1.514 11.999 1.00 0.00 SOLV ATOM 1392 H2 TIP3 456 -8.273 0.735 11.403 1.00 0.00 SOLV ATOM 1393 OH2 TIP3 457 -11.832 -4.498 7.087 1.00 0.00 SOLV ATOM 1394 H1 TIP3 457 -11.217 -3.916 7.589 1.00 0.00 SOLV ATOM 1395 H2 TIP3 457 -12.687 -4.108 7.330 1.00 0.00 SOLV ATOM 1396 OH2 TIP3 458 -5.965 -1.619 11.576 1.00 0.00 SOLV ATOM 1397 H1 TIP3 458 -6.580 -0.867 11.650 1.00 0.00 SOLV ATOM 1398 H2 TIP3 458 -6.522 -2.371 11.889 1.00 0.00 SOLV ATOM 1399 OH2 TIP3 459 -7.202 3.326 11.707 1.00 0.00 SOLV ATOM 1400 H1 TIP3 459 -8.116 3.640 11.857 1.00 0.00 SOLV ATOM 1401 H2 TIP3 459 -7.018 3.627 10.809 1.00 0.00 SOLV ATOM 1402 OH2 TIP3 460 0.623 -0.298 6.924 1.00 0.00 SOLV ATOM 1403 H1 TIP3 460 0.835 -0.847 7.716 1.00 0.00 SOLV ATOM 1404 H2 TIP3 460 -0.329 -0.455 6.799 1.00 0.00 SOLV ATOM 1405 OH2 TIP3 461 4.845 3.881 7.019 1.00 0.00 SOLV ATOM 1406 H1 TIP3 461 5.101 4.607 6.426 1.00 0.00 SOLV ATOM 1407 H2 TIP3 461 4.144 4.337 7.533 1.00 0.00 SOLV ATOM 1408 OH2 TIP3 462 1.636 -1.739 8.986 1.00 0.00 SOLV ATOM 1409 H1 TIP3 462 1.296 -2.472 9.531 1.00 0.00 SOLV ATOM 1410 H2 TIP3 462 2.598 -1.851 9.138 1.00 0.00 SOLV ATOM 1411 OH2 TIP3 463 -7.261 0.337 8.589 1.00 0.00 SOLV ATOM 1412 H1 TIP3 463 -6.508 0.098 9.137 1.00 0.00 SOLV ATOM 1413 H2 TIP3 463 -6.840 1.067 8.077 1.00 0.00 SOLV ATOM 1414 OH2 TIP3 464 -10.309 -2.726 8.524 1.00 0.00 SOLV ATOM 1415 H1 TIP3 464 -10.878 -2.170 9.104 1.00 0.00 SOLV ATOM 1416 H2 TIP3 464 -9.852 -2.008 8.038 1.00 0.00 SOLV ATOM 1417 OH2 TIP3 465 -1.261 -10.762 9.986 1.00 0.00 SOLV ATOM 1418 H1 TIP3 465 -1.161 -10.307 9.125 1.00 0.00 SOLV ATOM 1419 H2 TIP3 465 -0.885 -10.095 10.612 1.00 0.00 SOLV ATOM 1420 OH2 TIP3 466 -4.734 -8.561 10.909 1.00 0.00 SOLV ATOM 1421 H1 TIP3 466 -3.962 -7.947 10.944 1.00 0.00 SOLV ATOM 1422 H2 TIP3 466 -4.943 -8.674 11.847 1.00 0.00 SOLV ATOM 1423 OH2 TIP3 467 -3.314 -11.723 11.478 1.00 0.00 SOLV ATOM 1424 H1 TIP3 467 -3.309 -10.991 12.106 1.00 0.00 SOLV ATOM 1425 H2 TIP3 467 -2.633 -11.414 10.842 1.00 0.00 SOLV ATOM 1426 OH2 TIP3 468 -7.799 -10.150 8.172 1.00 0.00 SOLV ATOM 1427 H1 TIP3 468 -7.972 -9.400 8.768 1.00 0.00 SOLV ATOM 1428 H2 TIP3 468 -6.949 -10.473 8.545 1.00 0.00 SOLV ATOM 1429 OH2 TIP3 469 -9.409 -0.455 7.168 1.00 0.00 SOLV ATOM 1430 H1 TIP3 469 -8.700 -0.042 7.716 1.00 0.00 SOLV ATOM 1431 H2 TIP3 469 -8.850 -0.985 6.557 1.00 0.00 SOLV ATOM 1432 OH2 TIP3 470 -11.472 -7.239 6.658 1.00 0.00 SOLV ATOM 1433 H1 TIP3 470 -11.580 -6.285 6.829 1.00 0.00 SOLV ATOM 1434 H2 TIP3 470 -11.721 -7.328 5.731 1.00 0.00 SOLV ATOM 1435 OH2 TIP3 471 -11.569 1.656 11.132 1.00 0.00 SOLV ATOM 1436 H1 TIP3 471 -12.402 1.704 11.631 1.00 0.00 SOLV ATOM 1437 H2 TIP3 471 -11.693 2.306 10.401 1.00 0.00 SOLV ATOM 1438 OH2 TIP3 472 -3.497 2.162 5.031 1.00 0.00 SOLV ATOM 1439 H1 TIP3 472 -4.142 2.220 5.768 1.00 0.00 SOLV ATOM 1440 H2 TIP3 472 -3.108 1.286 5.183 1.00 0.00 SOLV ATOM 1441 OH2 TIP3 473 1.075 2.212 5.989 1.00 0.00 SOLV ATOM 1442 H1 TIP3 473 1.013 1.328 6.411 1.00 0.00 SOLV ATOM 1443 H2 TIP3 473 1.913 2.152 5.499 1.00 0.00 SOLV ATOM 1444 OH2 TIP3 474 -7.949 -2.220 5.716 1.00 0.00 SOLV ATOM 1445 H1 TIP3 474 -7.582 -2.655 6.511 1.00 0.00 SOLV ATOM 1446 H2 TIP3 474 -7.110 -2.101 5.214 1.00 0.00 SOLV ATOM 1447 OH2 TIP3 475 -2.018 -0.420 5.673 1.00 0.00 SOLV ATOM 1448 H1 TIP3 475 -2.432 -0.465 6.560 1.00 0.00 SOLV ATOM 1449 H2 TIP3 475 -2.181 -1.335 5.350 1.00 0.00 SOLV ATOM 1450 OH2 TIP3 476 -6.755 -3.462 7.935 1.00 0.00 SOLV ATOM 1451 H1 TIP3 476 -7.296 -3.973 8.568 1.00 0.00 SOLV ATOM 1452 H2 TIP3 476 -6.351 -4.161 7.377 1.00 0.00 SOLV ATOM 1453 OH2 TIP3 477 -5.544 -5.293 6.265 1.00 0.00 SOLV ATOM 1454 H1 TIP3 477 -5.536 -5.061 5.311 1.00 0.00 SOLV ATOM 1455 H2 TIP3 477 -4.581 -5.404 6.424 1.00 0.00 SOLV ATOM 1456 OH2 TIP3 478 3.195 -3.515 5.853 1.00 0.00 SOLV ATOM 1457 H1 TIP3 478 3.340 -3.661 4.897 1.00 0.00 SOLV ATOM 1458 H2 TIP3 478 3.131 -2.529 5.850 1.00 0.00 SOLV ATOM 1459 OH2 TIP3 479 -12.099 -0.331 6.883 1.00 0.00 SOLV ATOM 1460 H1 TIP3 479 -11.128 -0.217 7.006 1.00 0.00 SOLV ATOM 1461 H2 TIP3 479 -12.083 -1.057 6.225 1.00 0.00 SOLV ATOM 1462 OH2 TIP3 480 4.240 -2.311 9.611 1.00 0.00 SOLV ATOM 1463 H1 TIP3 480 5.000 -1.703 9.718 1.00 0.00 SOLV ATOM 1464 H2 TIP3 480 4.340 -2.912 10.385 1.00 0.00 SOLV ATOM 1465 OH2 TIP3 481 4.474 -4.269 11.473 1.00 0.00 SOLV ATOM 1466 H1 TIP3 481 3.800 -4.792 11.951 1.00 0.00 SOLV ATOM 1467 H2 TIP3 481 5.265 -4.362 12.042 1.00 0.00 SOLV ATOM 1468 OH2 TIP3 482 4.847 -4.364 7.871 1.00 0.00 SOLV ATOM 1469 H1 TIP3 482 4.269 -4.135 7.108 1.00 0.00 SOLV ATOM 1470 H2 TIP3 482 4.616 -3.629 8.478 1.00 0.00 SOLV ATOM 1471 OH2 TIP3 483 3.180 -7.275 6.323 1.00 0.00 SOLV ATOM 1472 H1 TIP3 483 3.034 -6.769 5.514 1.00 0.00 SOLV ATOM 1473 H2 TIP3 483 2.847 -8.153 6.033 1.00 0.00 SOLV ATOM 1474 OH2 TIP3 484 2.350 -5.732 12.437 1.00 0.00 SOLV ATOM 1475 H1 TIP3 484 2.092 -6.457 11.830 1.00 0.00 SOLV ATOM 1476 H2 TIP3 484 1.533 -5.524 12.924 1.00 0.00 SOLV ATOM 1477 OH2 TIP3 485 2.263 -9.691 5.482 1.00 0.00 SOLV ATOM 1478 H1 TIP3 485 2.858 -10.305 5.956 1.00 0.00 SOLV ATOM 1479 H2 TIP3 485 1.439 -10.201 5.400 1.00 0.00 SOLV ATOM 1480 OH2 TIP3 486 2.148 -7.727 10.437 1.00 0.00 SOLV ATOM 1481 H1 TIP3 486 2.437 -8.668 10.499 1.00 0.00 SOLV ATOM 1482 H2 TIP3 486 2.878 -7.371 9.888 1.00 0.00 SOLV ATOM 1483 OH2 TIP3 487 2.833 -10.388 10.745 1.00 0.00 SOLV ATOM 1484 H1 TIP3 487 3.132 -10.787 11.591 1.00 0.00 SOLV ATOM 1485 H2 TIP3 487 2.160 -11.040 10.470 1.00 0.00 SOLV ATOM 1486 OH2 TIP3 488 4.262 -11.023 6.948 1.00 0.00 SOLV ATOM 1487 H1 TIP3 488 4.894 -11.494 6.364 1.00 0.00 SOLV ATOM 1488 H2 TIP3 488 4.839 -10.330 7.329 1.00 0.00 SOLV ATOM 1489 OH2 TIP3 489 -13.346 -11.106 9.458 1.00 0.00 SOLV ATOM 1490 H1 TIP3 489 -13.290 -11.108 10.426 1.00 0.00 SOLV ATOM 1491 H2 TIP3 489 -12.758 -10.340 9.245 1.00 0.00 SOLV ATOM 1492 OH2 TIP3 490 2.126 3.978 12.776 1.00 0.00 SOLV ATOM 1493 H1 TIP3 490 2.641 3.896 11.947 1.00 0.00 SOLV ATOM 1494 H2 TIP3 490 2.247 4.918 12.973 1.00 0.00 SOLV ATOM 1495 OH2 TIP3 491 3.821 -11.814 12.896 1.00 0.00 SOLV ATOM 1496 H1 TIP3 491 3.816 -12.789 12.840 1.00 0.00 SOLV ATOM 1497 H2 TIP3 491 4.773 -11.586 12.826 1.00 0.00 SOLV ATOM 1498 OH2 TIP3 492 -10.664 -12.971 11.463 1.00 0.00 SOLV ATOM 1499 H1 TIP3 492 -11.547 -13.317 11.250 1.00 0.00 SOLV ATOM 1500 H2 TIP3 492 -10.200 -13.807 11.641 1.00 0.00 SOLV ATOM 1501 OH2 TIP3 493 -12.067 -12.692 7.593 1.00 0.00 SOLV ATOM 1502 H1 TIP3 493 -11.344 -12.067 7.395 1.00 0.00 SOLV ATOM 1503 H2 TIP3 493 -12.592 -12.185 8.245 1.00 0.00 SOLV ATOM 1504 OH2 TIP3 494 -6.052 -12.004 11.567 1.00 0.00 SOLV ATOM 1505 H1 TIP3 494 -5.075 -12.020 11.610 1.00 0.00 SOLV ATOM 1506 H2 TIP3 494 -6.257 -12.486 12.392 1.00 0.00 SOLV ATOM 1507 OH2 TIP3 495 0.967 -12.322 9.842 1.00 0.00 SOLV ATOM 1508 H1 TIP3 495 0.154 -11.790 9.974 1.00 0.00 SOLV ATOM 1509 H2 TIP3 495 0.571 -13.184 9.595 1.00 0.00 SOLV ATOM 1510 OH2 TIP3 496 -11.845 3.450 9.053 1.00 0.00 SOLV ATOM 1511 H1 TIP3 496 -12.755 3.198 8.793 1.00 0.00 SOLV ATOM 1512 H2 TIP3 496 -11.818 4.383 8.769 1.00 0.00 SOLV ATOM 1513 OH2 TIP3 497 -9.848 -11.222 6.662 1.00 0.00 SOLV ATOM 1514 H1 TIP3 497 -9.370 -11.931 6.202 1.00 0.00 SOLV ATOM 1515 H2 TIP3 497 -9.158 -10.873 7.270 1.00 0.00 SOLV ATOM 1516 OH2 TIP3 498 -5.341 -10.651 9.230 1.00 0.00 SOLV ATOM 1517 H1 TIP3 498 -5.597 -11.277 9.940 1.00 0.00 SOLV ATOM 1518 H2 TIP3 498 -5.017 -9.905 9.780 1.00 0.00 SOLV ATOM 1519 OH2 TIP3 499 -3.365 4.770 7.901 1.00 0.00 SOLV ATOM 1520 H1 TIP3 499 -2.785 4.640 7.140 1.00 0.00 SOLV ATOM 1521 H2 TIP3 499 -4.092 4.140 7.694 1.00 0.00 SOLV ATOM 1522 OH2 TIP3 500 3.760 3.910 10.525 1.00 0.00 SOLV ATOM 1523 H1 TIP3 500 3.543 3.031 10.129 1.00 0.00 SOLV ATOM 1524 H2 TIP3 500 3.582 4.493 9.758 1.00 0.00 SOLV ATOM 1525 OH2 TIP3 501 -9.725 3.842 6.104 1.00 0.00 SOLV ATOM 1526 H1 TIP3 501 -10.072 3.776 7.007 1.00 0.00 SOLV ATOM 1527 H2 TIP3 501 -8.965 3.241 6.153 1.00 0.00 SOLV ATOM 1528 OH2 TIP3 502 6.286 -7.025 10.980 1.00 0.00 SOLV ATOM 1529 H1 TIP3 502 6.155 -6.165 11.407 1.00 0.00 SOLV ATOM 1530 H2 TIP3 502 5.589 -7.020 10.302 1.00 0.00 SOLV ATOM 1531 OH2 TIP3 503 6.825 -4.596 12.786 1.00 0.00 SOLV ATOM 1532 H1 TIP3 503 6.967 -4.723 13.747 1.00 0.00 SOLV ATOM 1533 H2 TIP3 503 7.579 -4.036 12.571 1.00 0.00 SOLV ATOM 1534 OH2 TIP3 504 6.531 -0.708 9.430 1.00 0.00 SOLV ATOM 1535 H1 TIP3 504 6.471 -0.334 8.528 1.00 0.00 SOLV ATOM 1536 H2 TIP3 504 6.804 0.074 9.951 1.00 0.00 SOLV ATOM 1537 OH2 TIP3 505 11.914 -4.213 11.757 1.00 0.00 SOLV ATOM 1538 H1 TIP3 505 11.300 -4.150 11.006 1.00 0.00 SOLV ATOM 1539 H2 TIP3 505 11.727 -5.125 12.043 1.00 0.00 SOLV ATOM 1540 OH2 TIP3 506 10.099 -4.361 9.710 1.00 0.00 SOLV ATOM 1541 H1 TIP3 506 9.543 -3.605 9.406 1.00 0.00 SOLV ATOM 1542 H2 TIP3 506 9.460 -5.080 9.637 1.00 0.00 SOLV ATOM 1543 OH2 TIP3 507 8.964 3.520 12.144 1.00 0.00 SOLV ATOM 1544 H1 TIP3 507 8.866 3.449 13.123 1.00 0.00 SOLV ATOM 1545 H2 TIP3 507 8.352 2.831 11.833 1.00 0.00 SOLV ATOM 1546 OH2 TIP3 508 11.109 -6.940 11.910 1.00 0.00 SOLV ATOM 1547 H1 TIP3 508 10.177 -7.164 12.103 1.00 0.00 SOLV ATOM 1548 H2 TIP3 508 11.231 -7.369 11.041 1.00 0.00 SOLV ATOM 1549 OH2 TIP3 509 12.583 -9.303 5.359 1.00 0.00 SOLV ATOM 1550 H1 TIP3 509 12.359 -9.753 6.189 1.00 0.00 SOLV ATOM 1551 H2 TIP3 509 11.768 -8.797 5.188 1.00 0.00 SOLV ATOM 1552 OH2 TIP3 510 6.176 -10.485 12.837 1.00 0.00 SOLV ATOM 1553 H1 TIP3 510 6.642 -9.706 13.157 1.00 0.00 SOLV ATOM 1554 H2 TIP3 510 6.402 -10.507 11.893 1.00 0.00 SOLV ATOM 1555 OH2 TIP3 511 5.841 -9.108 8.261 1.00 0.00 SOLV ATOM 1556 H1 TIP3 511 6.590 -8.621 7.853 1.00 0.00 SOLV ATOM 1557 H2 TIP3 511 5.272 -8.356 8.521 1.00 0.00 SOLV ATOM 1558 OH2 TIP3 512 8.542 -7.904 12.353 1.00 0.00 SOLV ATOM 1559 H1 TIP3 512 7.784 -7.694 11.763 1.00 0.00 SOLV ATOM 1560 H2 TIP3 512 8.765 -8.831 12.109 1.00 0.00 SOLV ATOM 1561 OH2 TIP3 513 11.976 -7.809 9.373 1.00 0.00 SOLV ATOM 1562 H1 TIP3 513 12.752 -7.387 9.800 1.00 0.00 SOLV ATOM 1563 H2 TIP3 513 11.773 -7.220 8.620 1.00 0.00 SOLV ATOM 1564 OH2 TIP3 514 10.768 -6.545 7.144 1.00 0.00 SOLV ATOM 1565 H1 TIP3 514 9.841 -6.799 7.261 1.00 0.00 SOLV ATOM 1566 H2 TIP3 514 10.885 -6.855 6.218 1.00 0.00 SOLV ATOM 1567 OH2 TIP3 515 9.487 -10.440 11.834 1.00 0.00 SOLV ATOM 1568 H1 TIP3 515 9.071 -11.318 12.013 1.00 0.00 SOLV ATOM 1569 H2 TIP3 515 10.119 -10.699 11.154 1.00 0.00 SOLV ATOM 1570 OH2 TIP3 516 11.235 0.290 11.317 1.00 0.00 SOLV ATOM 1571 H1 TIP3 516 11.777 0.913 11.829 1.00 0.00 SOLV ATOM 1572 H2 TIP3 516 10.648 0.890 10.838 1.00 0.00 SOLV ATOM 1573 OH2 TIP3 517 7.434 -4.719 7.050 1.00 0.00 SOLV ATOM 1574 H1 TIP3 517 7.852 -3.985 7.547 1.00 0.00 SOLV ATOM 1575 H2 TIP3 517 6.501 -4.609 7.344 1.00 0.00 SOLV ATOM 1576 OH2 TIP3 518 12.579 -1.666 12.614 1.00 0.00 SOLV ATOM 1577 H1 TIP3 518 12.048 -1.147 11.981 1.00 0.00 SOLV ATOM 1578 H2 TIP3 518 12.480 -2.579 12.244 1.00 0.00 SOLV ATOM 1579 OH2 TIP3 519 11.410 3.740 10.922 1.00 0.00 SOLV ATOM 1580 H1 TIP3 519 10.544 3.717 11.378 1.00 0.00 SOLV ATOM 1581 H2 TIP3 519 11.855 4.467 11.411 1.00 0.00 SOLV ATOM 1582 OH2 TIP3 520 13.078 1.107 5.251 1.00 0.00 SOLV ATOM 1583 H1 TIP3 520 12.733 0.326 4.798 1.00 0.00 SOLV ATOM 1584 H2 TIP3 520 13.502 0.713 6.036 1.00 0.00 SOLV ATOM 1585 OH2 TIP3 521 11.749 0.368 8.015 1.00 0.00 SOLV ATOM 1586 H1 TIP3 521 12.360 -0.104 8.589 1.00 0.00 SOLV ATOM 1587 H2 TIP3 521 12.030 1.300 8.155 1.00 0.00 SOLV ATOM 1588 OH2 TIP3 522 8.384 -2.596 8.620 1.00 0.00 SOLV ATOM 1589 H1 TIP3 522 7.695 -2.049 9.053 1.00 0.00 SOLV ATOM 1590 H2 TIP3 522 8.832 -1.901 8.090 1.00 0.00 SOLV ATOM 1591 OH2 TIP3 523 12.506 2.930 8.601 1.00 0.00 SOLV ATOM 1592 H1 TIP3 523 12.368 3.727 8.044 1.00 0.00 SOLV ATOM 1593 H2 TIP3 523 12.079 3.221 9.443 1.00 0.00 SOLV ATOM 1594 OH2 TIP3 524 11.445 -10.196 7.955 1.00 0.00 SOLV ATOM 1595 H1 TIP3 524 11.453 -9.379 8.488 1.00 0.00 SOLV ATOM 1596 H2 TIP3 524 12.160 -10.694 8.403 1.00 0.00 SOLV ATOM 1597 OH2 TIP3 525 9.443 -0.637 7.034 1.00 0.00 SOLV ATOM 1598 H1 TIP3 525 10.215 -0.144 7.402 1.00 0.00 SOLV ATOM 1599 H2 TIP3 525 9.911 -1.196 6.378 1.00 0.00 SOLV ATOM 1600 OH2 TIP3 526 7.637 -7.456 6.937 1.00 0.00 SOLV ATOM 1601 H1 TIP3 526 7.523 -6.484 6.937 1.00 0.00 SOLV ATOM 1602 H2 TIP3 526 7.559 -7.681 5.999 1.00 0.00 SOLV ATOM 1603 OH2 TIP3 527 7.099 1.681 10.873 1.00 0.00 SOLV ATOM 1604 H1 TIP3 527 6.196 1.902 11.125 1.00 0.00 SOLV ATOM 1605 H2 TIP3 527 7.229 2.314 10.129 1.00 0.00 SOLV ATOM 1606 OH2 TIP3 528 10.775 -2.419 5.460 1.00 0.00 SOLV ATOM 1607 H1 TIP3 528 11.180 -2.927 6.193 1.00 0.00 SOLV ATOM 1608 H2 TIP3 528 11.476 -2.524 4.778 1.00 0.00 SOLV ATOM 1609 OH2 TIP3 529 11.887 -4.021 7.520 1.00 0.00 SOLV ATOM 1610 H1 TIP3 529 11.412 -3.980 8.368 1.00 0.00 SOLV ATOM 1611 H2 TIP3 529 11.684 -4.945 7.269 1.00 0.00 SOLV ATOM 1612 OH2 TIP3 530 12.695 5.242 7.152 1.00 0.00 SOLV ATOM 1613 H1 TIP3 530 13.572 5.588 7.415 1.00 0.00 SOLV ATOM 1614 H2 TIP3 530 12.709 5.327 6.194 1.00 0.00 SOLV ATOM 1615 OH2 TIP3 531 6.802 -0.078 6.691 1.00 0.00 SOLV ATOM 1616 H1 TIP3 531 7.769 -0.213 6.805 1.00 0.00 SOLV ATOM 1617 H2 TIP3 531 6.617 -0.752 5.997 1.00 0.00 SOLV ATOM 1618 OH2 TIP3 532 5.674 4.758 12.301 1.00 0.00 SOLV ATOM 1619 H1 TIP3 532 5.101 4.320 11.634 1.00 0.00 SOLV ATOM 1620 H2 TIP3 532 5.450 4.290 13.128 1.00 0.00 SOLV ATOM 1621 OH2 TIP3 533 5.758 -11.111 10.068 1.00 0.00 SOLV ATOM 1622 H1 TIP3 533 4.790 -11.155 10.156 1.00 0.00 SOLV ATOM 1623 H2 TIP3 533 5.843 -10.328 9.480 1.00 0.00 SOLV ATOM 1624 OH2 TIP3 534 8.421 -12.891 12.123 1.00 0.00 SOLV ATOM 1625 H1 TIP3 534 7.500 -13.078 11.877 1.00 0.00 SOLV ATOM 1626 H2 TIP3 534 8.788 -13.786 12.039 1.00 0.00 SOLV ATOM 1627 OH2 TIP3 535 7.219 -12.646 8.245 1.00 0.00 SOLV ATOM 1628 H1 TIP3 535 7.817 -12.039 7.767 1.00 0.00 SOLV ATOM 1629 H2 TIP3 535 6.752 -12.037 8.846 1.00 0.00 SOLV ATOM 1630 OH2 TIP3 536 12.996 -12.760 12.704 1.00 0.00 SOLV ATOM 1631 H1 TIP3 536 13.505 -11.945 12.529 1.00 0.00 SOLV ATOM 1632 H2 TIP3 536 12.978 -12.776 13.665 1.00 0.00 SOLV ATOM 1633 OH2 TIP3 537 6.905 3.465 8.860 1.00 0.00 SOLV ATOM 1634 H1 TIP3 537 6.158 3.445 8.232 1.00 0.00 SOLV ATOM 1635 H2 TIP3 537 7.082 4.428 8.872 1.00 0.00 SOLV ATOM 1636 OH2 TIP3 538 9.106 -11.183 6.687 1.00 0.00 SOLV ATOM 1637 H1 TIP3 538 9.484 -11.814 6.043 1.00 0.00 SOLV ATOM 1638 H2 TIP3 538 9.903 -10.898 7.181 1.00 0.00 SOLV ATOM 1639 OH2 TIP3 539 8.471 3.690 5.950 1.00 0.00 SOLV ATOM 1640 H1 TIP3 539 8.370 3.755 6.910 1.00 0.00 SOLV ATOM 1641 H2 TIP3 539 9.399 3.387 5.857 1.00 0.00 SOLV ATOM 1642 OH2 TIP3 540 -12.798 12.141 11.411 1.00 0.00 SOLV ATOM 1643 H1 TIP3 540 -13.414 12.800 11.806 1.00 0.00 SOLV ATOM 1644 H2 TIP3 540 -13.158 11.302 11.743 1.00 0.00 SOLV ATOM 1645 OH2 TIP3 541 0.112 9.710 11.954 1.00 0.00 SOLV ATOM 1646 H1 TIP3 541 0.597 9.407 12.745 1.00 0.00 SOLV ATOM 1647 H2 TIP3 541 0.822 10.116 11.437 1.00 0.00 SOLV ATOM 1648 OH2 TIP3 542 -2.870 12.728 6.737 1.00 0.00 SOLV ATOM 1649 H1 TIP3 542 -2.451 13.097 7.518 1.00 0.00 SOLV ATOM 1650 H2 TIP3 542 -2.121 12.370 6.220 1.00 0.00 SOLV ATOM 1651 OH2 TIP3 543 3.112 5.526 8.332 1.00 0.00 SOLV ATOM 1652 H1 TIP3 543 2.192 5.708 8.622 1.00 0.00 SOLV ATOM 1653 H2 TIP3 543 3.362 6.409 7.991 1.00 0.00 SOLV ATOM 1654 OH2 TIP3 544 -3.554 8.727 6.886 1.00 0.00 SOLV ATOM 1655 H1 TIP3 544 -4.251 8.606 7.562 1.00 0.00 SOLV ATOM 1656 H2 TIP3 544 -3.911 8.167 6.162 1.00 0.00 SOLV ATOM 1657 OH2 TIP3 545 -7.363 11.322 12.475 1.00 0.00 SOLV ATOM 1658 H1 TIP3 545 -8.329 11.458 12.510 1.00 0.00 SOLV ATOM 1659 H2 TIP3 545 -7.263 11.230 11.500 1.00 0.00 SOLV ATOM 1660 OH2 TIP3 546 -2.557 12.302 10.696 1.00 0.00 SOLV ATOM 1661 H1 TIP3 546 -2.768 13.219 10.939 1.00 0.00 SOLV ATOM 1662 H2 TIP3 546 -1.689 12.375 10.271 1.00 0.00 SOLV ATOM 1663 OH2 TIP3 547 -6.710 9.304 5.761 1.00 0.00 SOLV ATOM 1664 H1 TIP3 547 -7.043 9.092 6.655 1.00 0.00 SOLV ATOM 1665 H2 TIP3 547 -7.347 9.982 5.488 1.00 0.00 SOLV ATOM 1666 OH2 TIP3 548 -12.850 9.378 12.385 1.00 0.00 SOLV ATOM 1667 H1 TIP3 548 -13.425 9.163 13.142 1.00 0.00 SOLV ATOM 1668 H2 TIP3 548 -11.968 9.288 12.772 1.00 0.00 SOLV ATOM 1669 OH2 TIP3 549 -12.215 9.766 8.180 1.00 0.00 SOLV ATOM 1670 H1 TIP3 549 -11.386 10.234 7.990 1.00 0.00 SOLV ATOM 1671 H2 TIP3 549 -12.753 10.167 7.486 1.00 0.00 SOLV ATOM 1672 OH2 TIP3 550 -10.177 11.312 12.110 1.00 0.00 SOLV ATOM 1673 H1 TIP3 550 -11.005 11.378 11.597 1.00 0.00 SOLV ATOM 1674 H2 TIP3 550 -9.961 10.354 11.998 1.00 0.00 SOLV ATOM 1675 OH2 TIP3 551 -7.142 10.996 9.748 1.00 0.00 SOLV ATOM 1676 H1 TIP3 551 -6.189 10.919 9.607 1.00 0.00 SOLV ATOM 1677 H2 TIP3 551 -7.418 11.461 8.921 1.00 0.00 SOLV ATOM 1678 OH2 TIP3 552 -7.684 11.916 7.273 1.00 0.00 SOLV ATOM 1679 H1 TIP3 552 -8.208 11.695 6.486 1.00 0.00 SOLV ATOM 1680 H2 TIP3 552 -6.909 12.365 6.866 1.00 0.00 SOLV ATOM 1681 OH2 TIP3 553 -9.452 8.689 11.961 1.00 0.00 SOLV ATOM 1682 H1 TIP3 553 -9.914 7.822 11.890 1.00 0.00 SOLV ATOM 1683 H2 TIP3 553 -8.556 8.441 11.705 1.00 0.00 SOLV ATOM 1684 OH2 TIP3 554 -1.238 9.526 7.888 1.00 0.00 SOLV ATOM 1685 H1 TIP3 554 -2.075 9.186 7.483 1.00 0.00 SOLV ATOM 1686 H2 TIP3 554 -1.458 10.458 7.971 1.00 0.00 SOLV ATOM 1687 OH2 TIP3 555 0.011 12.147 9.139 1.00 0.00 SOLV ATOM 1688 H1 TIP3 555 0.572 11.595 9.713 1.00 0.00 SOLV ATOM 1689 H2 TIP3 555 0.340 11.862 8.275 1.00 0.00 SOLV ATOM 1690 OH2 TIP3 556 4.240 11.612 8.761 1.00 0.00 SOLV ATOM 1691 H1 TIP3 556 3.886 11.462 7.847 1.00 0.00 SOLV ATOM 1692 H2 TIP3 556 4.111 12.591 8.793 1.00 0.00 SOLV ATOM 1693 OH2 TIP3 557 -1.261 8.074 10.209 1.00 0.00 SOLV ATOM 1694 H1 TIP3 557 -1.266 8.621 9.395 1.00 0.00 SOLV ATOM 1695 H2 TIP3 557 -0.876 8.693 10.869 1.00 0.00 SOLV ATOM 1696 OH2 TIP3 558 -4.372 10.257 10.916 1.00 0.00 SOLV ATOM 1697 H1 TIP3 558 -3.655 10.920 10.783 1.00 0.00 SOLV ATOM 1698 H2 TIP3 558 -4.723 10.543 11.768 1.00 0.00 SOLV ATOM 1699 OH2 TIP3 559 -3.653 7.082 11.040 1.00 0.00 SOLV ATOM 1700 H1 TIP3 559 -3.844 7.913 11.500 1.00 0.00 SOLV ATOM 1701 H2 TIP3 559 -2.747 7.282 10.710 1.00 0.00 SOLV ATOM 1702 OH2 TIP3 560 -7.798 8.663 8.233 1.00 0.00 SOLV ATOM 1703 H1 TIP3 560 -7.912 9.454 8.789 1.00 0.00 SOLV ATOM 1704 H2 TIP3 560 -6.916 8.368 8.552 1.00 0.00 SOLV ATOM 1705 OH2 TIP3 561 -11.355 11.868 6.638 1.00 0.00 SOLV ATOM 1706 H1 TIP3 561 -11.592 12.719 7.071 1.00 0.00 SOLV ATOM 1707 H2 TIP3 561 -11.777 11.962 5.782 1.00 0.00 SOLV ATOM 1708 OH2 TIP3 562 -5.582 13.032 6.039 1.00 0.00 SOLV ATOM 1709 H1 TIP3 562 -5.386 13.879 5.577 1.00 0.00 SOLV ATOM 1710 H2 TIP3 562 -4.679 12.811 6.346 1.00 0.00 SOLV ATOM 1711 OH2 TIP3 563 3.275 11.333 6.281 1.00 0.00 SOLV ATOM 1712 H1 TIP3 563 3.755 11.818 5.587 1.00 0.00 SOLV ATOM 1713 H2 TIP3 563 2.928 10.572 5.770 1.00 0.00 SOLV ATOM 1714 OH2 TIP3 564 2.690 12.617 12.250 1.00 0.00 SOLV ATOM 1715 H1 TIP3 564 2.646 11.898 11.595 1.00 0.00 SOLV ATOM 1716 H2 TIP3 564 1.811 13.007 12.168 1.00 0.00 SOLV ATOM 1717 OH2 TIP3 565 2.422 8.975 5.149 1.00 0.00 SOLV ATOM 1718 H1 TIP3 565 2.807 8.491 5.908 1.00 0.00 SOLV ATOM 1719 H2 TIP3 565 1.476 8.718 5.195 1.00 0.00 SOLV ATOM 1720 OH2 TIP3 566 2.165 10.651 10.307 1.00 0.00 SOLV ATOM 1721 H1 TIP3 566 2.337 9.678 10.316 1.00 0.00 SOLV ATOM 1722 H2 TIP3 566 2.901 10.924 9.717 1.00 0.00 SOLV ATOM 1723 OH2 TIP3 567 2.814 8.004 10.372 1.00 0.00 SOLV ATOM 1724 H1 TIP3 567 3.012 7.494 11.189 1.00 0.00 SOLV ATOM 1725 H2 TIP3 567 2.128 7.417 9.984 1.00 0.00 SOLV ATOM 1726 OH2 TIP3 568 4.057 7.828 7.091 1.00 0.00 SOLV ATOM 1727 H1 TIP3 568 4.577 7.212 6.537 1.00 0.00 SOLV ATOM 1728 H2 TIP3 568 4.734 8.495 7.324 1.00 0.00 SOLV ATOM 1729 OH2 TIP3 569 -12.970 7.895 9.957 1.00 0.00 SOLV ATOM 1730 H1 TIP3 569 -13.021 8.372 10.810 1.00 0.00 SOLV ATOM 1731 H2 TIP3 569 -12.721 8.638 9.360 1.00 0.00 SOLV ATOM 1732 OH2 TIP3 570 3.669 6.619 12.534 1.00 0.00 SOLV ATOM 1733 H1 TIP3 570 4.340 5.918 12.421 1.00 0.00 SOLV ATOM 1734 H2 TIP3 570 4.258 7.342 12.817 1.00 0.00 SOLV ATOM 1735 OH2 TIP3 571 -10.783 6.333 11.858 1.00 0.00 SOLV ATOM 1736 H1 TIP3 571 -11.222 6.167 11.018 1.00 0.00 SOLV ATOM 1737 H2 TIP3 571 -10.404 5.446 12.050 1.00 0.00 SOLV ATOM 1738 OH2 TIP3 572 -11.880 6.120 8.148 1.00 0.00 SOLV ATOM 1739 H1 TIP3 572 -11.184 6.631 7.680 1.00 0.00 SOLV ATOM 1740 H2 TIP3 572 -12.236 6.799 8.762 1.00 0.00 SOLV ATOM 1741 OH2 TIP3 573 -6.110 6.082 12.070 1.00 0.00 SOLV ATOM 1742 H1 TIP3 573 -5.212 6.293 11.766 1.00 0.00 SOLV ATOM 1743 H2 TIP3 573 -6.091 5.123 12.165 1.00 0.00 SOLV ATOM 1744 OH2 TIP3 574 0.788 6.340 9.524 1.00 0.00 SOLV ATOM 1745 H1 TIP3 574 0.013 6.911 9.709 1.00 0.00 SOLV ATOM 1746 H2 TIP3 574 0.348 5.463 9.580 1.00 0.00 SOLV ATOM 1747 OH2 TIP3 575 -9.827 7.450 6.775 1.00 0.00 SOLV ATOM 1748 H1 TIP3 575 -9.310 6.930 6.128 1.00 0.00 SOLV ATOM 1749 H2 TIP3 575 -9.115 7.832 7.335 1.00 0.00 SOLV ATOM 1750 OH2 TIP3 576 -5.217 8.392 9.088 1.00 0.00 SOLV ATOM 1751 H1 TIP3 576 -4.816 7.598 9.486 1.00 0.00 SOLV ATOM 1752 H2 TIP3 576 -4.921 9.073 9.732 1.00 0.00 SOLV ATOM 1753 OH2 TIP3 577 6.216 12.742 10.782 1.00 0.00 SOLV ATOM 1754 H1 TIP3 577 6.083 13.556 10.272 1.00 0.00 SOLV ATOM 1755 H2 TIP3 577 5.611 12.143 10.320 1.00 0.00 SOLV ATOM 1756 OH2 TIP3 578 11.100 11.104 12.354 1.00 0.00 SOLV ATOM 1757 H1 TIP3 578 10.148 11.262 12.182 1.00 0.00 SOLV ATOM 1758 H2 TIP3 578 11.431 11.034 11.431 1.00 0.00 SOLV ATOM 1759 OH2 TIP3 579 12.480 10.007 5.620 1.00 0.00 SOLV ATOM 1760 H1 TIP3 579 12.183 9.366 6.294 1.00 0.00 SOLV ATOM 1761 H2 TIP3 579 11.766 9.972 4.970 1.00 0.00 SOLV ATOM 1762 OH2 TIP3 580 5.837 8.297 12.915 1.00 0.00 SOLV ATOM 1763 H1 TIP3 580 6.740 8.502 13.187 1.00 0.00 SOLV ATOM 1764 H2 TIP3 580 5.954 8.193 11.946 1.00 0.00 SOLV ATOM 1765 OH2 TIP3 581 5.968 9.707 7.938 1.00 0.00 SOLV ATOM 1766 H1 TIP3 581 6.666 10.282 7.561 1.00 0.00 SOLV ATOM 1767 H2 TIP3 581 5.377 10.402 8.298 1.00 0.00 SOLV ATOM 1768 OH2 TIP3 582 8.363 11.320 11.953 1.00 0.00 SOLV ATOM 1769 H1 TIP3 582 7.566 11.591 11.455 1.00 0.00 SOLV ATOM 1770 H2 TIP3 582 8.416 10.357 11.751 1.00 0.00 SOLV ATOM 1771 OH2 TIP3 583 11.987 10.955 9.711 1.00 0.00 SOLV ATOM 1772 H1 TIP3 583 12.840 11.411 9.660 1.00 0.00 SOLV ATOM 1773 H2 TIP3 583 11.518 11.369 8.947 1.00 0.00 SOLV ATOM 1774 OH2 TIP3 584 10.835 11.808 7.474 1.00 0.00 SOLV ATOM 1775 H1 TIP3 584 9.912 11.929 7.210 1.00 0.00 SOLV ATOM 1776 H2 TIP3 584 11.236 11.458 6.665 1.00 0.00 SOLV ATOM 1777 OH2 TIP3 585 8.949 8.660 11.645 1.00 0.00 SOLV ATOM 1778 H1 TIP3 585 8.618 7.740 11.768 1.00 0.00 SOLV ATOM 1779 H2 TIP3 585 9.844 8.487 11.336 1.00 0.00 SOLV ATOM 1780 OH2 TIP3 586 11.436 8.610 7.911 1.00 0.00 SOLV ATOM 1781 H1 TIP3 586 11.493 9.350 8.543 1.00 0.00 SOLV ATOM 1782 H2 TIP3 586 11.939 7.925 8.380 1.00 0.00 SOLV ATOM 1783 OH2 TIP3 587 7.481 11.899 7.038 1.00 0.00 SOLV ATOM 1784 H1 TIP3 587 7.396 12.734 7.553 1.00 0.00 SOLV ATOM 1785 H2 TIP3 587 7.245 12.205 6.157 1.00 0.00 SOLV ATOM 1786 OH2 TIP3 588 5.702 8.039 10.122 1.00 0.00 SOLV ATOM 1787 H1 TIP3 588 4.729 7.972 10.101 1.00 0.00 SOLV ATOM 1788 H2 TIP3 588 5.869 8.638 9.367 1.00 0.00 SOLV ATOM 1789 OH2 TIP3 589 8.118 6.162 12.222 1.00 0.00 SOLV ATOM 1790 H1 TIP3 589 7.194 5.847 12.150 1.00 0.00 SOLV ATOM 1791 H2 TIP3 589 8.575 5.302 12.126 1.00 0.00 SOLV ATOM 1792 OH2 TIP3 590 7.240 6.173 8.375 1.00 0.00 SOLV ATOM 1793 H1 TIP3 590 7.795 6.735 7.801 1.00 0.00 SOLV ATOM 1794 H2 TIP3 590 6.845 6.817 8.985 1.00 0.00 SOLV ATOM 1795 OH2 TIP3 591 12.672 5.671 12.388 1.00 0.00 SOLV ATOM 1796 H1 TIP3 591 13.455 6.140 12.084 1.00 0.00 SOLV ATOM 1797 H2 TIP3 591 12.898 5.419 13.300 1.00 0.00 SOLV ATOM 1798 OH2 TIP3 592 9.071 7.621 6.638 1.00 0.00 SOLV ATOM 1799 H1 TIP3 592 9.494 6.987 6.028 1.00 0.00 SOLV ATOM 1800 H2 TIP3 592 9.845 7.955 7.135 1.00 0.00 SOLV ATOM 1801 SOD SOD 1 -8.032 5.354 -7.781 1.00 0.00 SOD ATOM 1802 CLA CLA 1 -5.382 2.471 7.495 1.00 0.00 CLA TER 1803 CLA 1 END