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9
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1 AMBER General Force Field for organic mol., add. info. at the end (June, 2003)
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2 c 12.01 0.616 Sp2 C carbonyl group
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3 c1 12.01 0.360 Sp C
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4 c2 12.01 0.360 Sp2 C
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5 c3 12.01 0.878 Sp3 C
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6 ca 12.01 0.360 Sp2 C in pure aromatic systems
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7 cp 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys.
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8 cq 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys. identical to cp
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9 cc 12.01 0.360 Sp2 carbons in non-pure aromatic systems
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10 cd 12.01 0.360 Sp2 carbons in non-pure aromatic systems, identical to cc
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11 ce 12.01 0.360 Inner Sp2 carbons in conjugated systems
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12 cf 12.01 0.360 Inner Sp2 carbons in conjugated systems, identical to ce
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13 cg 12.01 0.360 Inner Sp carbons in conjugated systems
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14 ch 12.01 0.360 Inner Sp carbons in conjugated systems, identical to cg
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15 cx 12.01 0.360 Sp3 carbons in triangle systems
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16 cy 12.01 0.360 Sp3 carbons in square systems
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17 cu 12.01 0.360 Sp2 carbons in triangle systems
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18 cv 12.01 0.360 Sp2 carbons in square systems
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19 h1 1.008 0.135 H bonded to aliphatic carbon with 1 electrwd. group
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20 h2 1.008 0.135 H bonded to aliphatic carbon with 2 electrwd. group
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21 h3 1.008 0.135 H bonded to aliphatic carbon with 3 electrwd. group
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22 h4 1.008 0.135 H bonded to non-sp3 carbon with 1 electrwd. group
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23 h5 1.008 0.135 H bonded to non-sp3 carbon with 2 electrwd. group
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24 ha 1.008 0.135 H bonded to aromatic carbon
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25 hc 1.008 0.135 H bonded to aliphatic carbon without electrwd. group
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26 hn 1.008 0.161 H bonded to nitrogen atoms
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27 ho 1.008 0.135 Hydroxyl group
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28 hp 1.008 0.135 H bonded to phosphate
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29 hs 1.008 0.135 Hydrogen bonded to sulphur
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30 hw 1.008 0.135 Hydrogen in water
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31 hx 1.008 0.135 H bonded to C next to positively charged group
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32 f 19.00 0.320 Fluorine
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33 cl 35.45 1.910 Chlorine
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34 br 79.90 2.880 Bromine
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35 i 126.9 4.690 Iodine
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36 n 14.01 0.530 Sp2 nitrogen in amide groups
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37 n1 14.01 0.530 Sp N
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38 n2 14.01 0.530 aliphatic Sp2 N with two connected atoms
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39 n3 14.01 0.530 Sp3 N with three connected atoms
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40 n4 14.01 0.530 Sp3 N with four connected atoms
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41 na 14.01 0.530 Sp2 N with three connected atoms
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42 nb 14.01 0.530 Sp2 N in pure aromatic systems
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43 nc 14.01 0.530 Sp2 N in non-pure aromatic systems
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44 nd 14.01 0.530 Sp2 N in non-pure aromatic systems, identical to nc
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45 ne 14.01 0.530 Inner Sp2 N in conjugated systems
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46 nf 14.01 0.530 Inner Sp2 N in conjugated systems, identical to ne
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47 nh 14.01 0.530 Amine N connected one or more aromatic rings
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48 no 14.01 0.530 Nitro N
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49 o 16.00 0.434 Oxygen with one connected atom
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50 oh 16.00 0.465 Oxygen in hydroxyl group
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51 os 16.00 0.465 Ether and ester oxygen
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52 ow 16.00 0.465 Oxygen in water
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53 p2 30.97 1.538 Phosphate with two connected atoms
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54 p3 30.97 1.538 Phosphate with three connected atoms, such as PH3
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55 p4 30.97 1.538 Phosphate with three connected atoms, such as O=P(CH3)2
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56 p5 30.97 1.538 Phosphate with four connected atoms, such as O=P(OH)3
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57 pb 30.97 1.538 Sp2 P in pure aromatic systems
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58 pc 30.97 1.538 Sp2 P in non-pure aromatic systems
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59 pd 30.97 1.538 Sp2 P in non-pure aromatic systems, identical to pc
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60 pe 30.97 1.538 Inner Sp2 P in conjugated systems
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61 pf 30.97 1.538 Inner Sp2 P in conjugated systems, identical to pe
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62 px 30.97 1.538 Special p4 in conjugated systems
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63 py 30.97 1.538 Special p5 in conjugated systems
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64 s 32.06 2.900 S with one connected atom
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65 s2 32.06 2.900 S with two connected atom, involved at least one double bond
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66 s4 32.06 2.900 S with three connected atoms
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67 s6 32.06 2.900 S with four connected atoms
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68 sh 32.06 2.900 Sp3 S connected with hydrogen
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69 ss 32.06 2.900 Sp3 S in thio-ester and thio-ether
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70 sx 32.06 2.900 Special s4 in conjugated systems
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71 sy 32.06 2.900 Special s6 in conjugated systems
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72
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73 hn ho hs n na nc nd ne nf n2 n3 n4 o oh os ow sh ss
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74 ow-hw 553.0 0.9572 TIP3P water
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75 br-br 123.2 2.542 SOURCE1 4 0.0000 0.0000
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76 br-c 240.3 1.946 SOURCE2 2 0.0285 0.0285
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77 br-c1 352.7 1.787 SOURCE2 4 0.0022 0.0024
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78 br-c2 278.7 1.883 SOURCE1 31 0.0000 0.0000
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79 br-c3 229.5 1.966 SOURCE1 100 0.0000 0.0000
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80 br-ca 269.6 1.897 SOURCE1 127 0.0028 0.0058
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81 br-cx 261.4 1.910 SOURCE1 8 0.0000 0.0000
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82 br-i 142.4 2.671 SOURCE1 2 0.0245 0.0245
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83 br-n 320.2 1.873 SOURCE3 4 0.0037 0.0046
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84 br-n1 330.4 1.860 SOURCE0 1
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85 br-n2 219.0 2.038 SOURCE3 5 0.0956 0.1082
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86 br-n3 265.9 1.952 SOURCE3 2 0.0000 0.0000
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87 br-n4 282.4 1.926 SOURCE3 3 0.0012 0.0013
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88 br-na 237.3 2.002 SOURCE3 7 0.1938 0.2156
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89 br-nh 270.9 1.944 SOURCE3 1 0.0000 0.0000
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90 br-no 191.0 2.101 SOURCE3 1 0.0000 0.0000
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91 br-o 278.9 1.800 SOURCE0 1
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92 br-oh 237.2 1.866 SOURCE3 1 0.0000 0.0000
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93 br-os 225.6 1.887 SOURCE3 2 0.0000 0.0000
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94 br-p2 174.3 2.210 SOURCE3 9 0.0470 0.0510
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95 br-p3 167.0 2.231 SOURCE3 3 0.0096 0.0101
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96 br-p4 188.8 2.171 SOURCE0 1
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97 br-p5 179.3 2.196 SOURCE3 3 0.0094 0.0099
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98 br-s 170.6 2.220 SOURCE0 1
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99 br-s4 134.3 2.341 SOURCE3 1 0.0000 0.0000
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100 br-s6 172.7 2.214 SOURCE3 3 0.0417 0.0443
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101 br-sh 174.4 2.209 SOURCE3 1 0.0000 0.0000
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102 br-ss 176.6 2.203 SOURCE3 3 0.0033 0.0035
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103 c -c 290.1 1.550 SOURCE1 31 0.0080 0.0100
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104 c -c1 379.8 1.460 SOURCE0 1
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105 c -c2 449.9 1.406 SOURCE3 2 0.0370 0.0370
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106 c -c3 328.3 1.508 SOURCE1 2949 0.0049 0.0060
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107 c -ca 349.7 1.487 SOURCE1 480 0.0031 0.0055
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108 c -cc 377.4 1.462 SOURCE3 132 0.0165 0.0210
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109 c -cd 377.4 1.462 SOURCE3 132 0.0165 0.0210
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110 c -ce 363.8 1.474 SOURCE1 601 0.0091 0.0105
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111 c -cf 363.8 1.474 SOURCE1 601 0.0091 0.0105
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112 c -cg 389.3 1.452 SOURCE3 2 0.0000 0.0000
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113 c -ch 389.3 1.452 SOURCE3 2 same as c -cg
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114 c -cl 293.5 1.766 SOURCE3 6 0.0235 0.0250
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115 c -cu 441.4 1.412 SOURCE2 1 0.0000 0.0000
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116 c -cx 350.8 1.486 SOURCE1 105 0.0000 0.0000
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117 c -cy 308.5 1.529 SOURCE1 18 0.0000 0.0000
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118 c -f 387.9 1.325 SOURCE2 6 0.0140 0.0147
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119 c -ha 325.1 1.101 SOURCE3 53 0.0078 0.0102
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120 c -i 198.9 2.209 SOURCE3 4 0.0332 0.0365
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121 c -n 478.2 1.345 SOURCE1 1235 0.0162 0.0215
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122 c -n2 374.6 1.420 SOURCE0 1
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123 c -n4 255.5 1.546 SOURCE3 4 0.0388 0.0388
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124 c -nc 438.8 1.371 SOURCE3 2 0.0108 0.0108
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125 c -nd 438.8 1.371 SOURCE3 2 same as c -nc
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126 c -ne 388.0 1.409 SOURCE3 3 0.0088 0.0094
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127 c -nf 388.0 1.409 SOURCE3 3 same as c -ne
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128 c -no 260.1 1.540 SOURCE0 1
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129 c -o 648.0 1.214 SOURCE1 3682 0.0134 0.0165
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130 c -oh 466.4 1.306 SOURCE1 271 0.0026 0.0041
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131 c -os 411.3 1.343 SOURCE1 1044 0.0114 0.0171
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132 c -p2 210.3 1.900 SOURCE0 1
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133 c -p3 219.0 1.883 SOURCE3 6 0.0094 0.0129
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134 c -p4 220.6 1.880 SOURCE0 1
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135 c -p5 225.9 1.870 SOURCE0 1
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136 c -pe 204.9 1.911 SOURCE3 3 0.0023 0.0025
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137 c -pf 204.9 1.911 SOURCE3 3 same as c -pe
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138 c -px 208.3 1.904 SOURCE3 1 0.0000 0.0000
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139 c -py 227.6 1.867 SOURCE3 6 0.0141 0.0199
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140 c -s 328.9 1.675 SOURCE1 401 0.0077 0.0128
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141 c -s4 200.4 1.870 SOURCE0 1
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142 c -s6 200.4 1.870 SOURCE0 1
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143 c -sh 249.6 1.781 SOURCE3 6 0.0157 0.0171
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144 c -ss 261.9 1.762 SOURCE1 20 0.0000 0.0000
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145 c -sx 193.3 1.885 SOURCE3 5 0.0070 0.0088
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146 c -sy 202.8 1.865 SOURCE3 5 0.0063 0.0085
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147 c1-c1 986.2 1.181 SOURCE1 265 0.0022 0.0031
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148 c1-c2 625.0 1.307 SOURCE1 18 0.0000 0.0000
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149 c1-c3 368.3 1.470 SOURCE1 215 0.0013 0.0017
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150 c1-ca 404.1 1.440 SOURCE0 1
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151 c1-cg 845.8 1.222 SOURCE3 22 0.0074 0.0101
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152 c1-ch 845.8 1.222 SOURCE3 22 same as c1-cg
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153 c1-cl 419.7 1.631 SOURCE2 6 0.0046 0.0050
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154 c1-cx 399.1 1.444 SOURCE1 38 0.0000 0.0000
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155 c1-f 469.4 1.270 SOURCE2 2 0.0085 0.0085
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156 c1-ha 375.9 1.066 SOURCE3 63 0.0022 0.0035
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157 c1-hc 385.6 1.060 SOURCE0 1
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158 c1-i 318.8 1.989 SOURCE2 4 0.0025 0.0032
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159 c1-n 503.0 1.330 SOURCE0 1
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160 c1-n1 1014.5 1.138 SOURCE1 170 0.0038 0.0055
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161 c1-n2 769.8 1.210 SOURCE3 5 0.0089 0.0115
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162 c1-n3 409.8 1.392 SOURCE2 1 0.0000 0.0000
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163 c1-n4 378.2 1.417 SOURCE3 3 0.0030 0.0032
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164 c1-na 452.0 1.362 SOURCE3 8 0.0031 0.0034
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165 c1-ne 741.8 1.220 SOURCE3 1 0.0000 0.0000
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166 c1-nf 741.8 1.220 SOURCE3 1 same as c1-ne
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167 c1-ng 465.7 1.353 SOURCE3 3 0.0025 0.0027
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168 c1-nh 465.7 1.353 SOURCE3 3 0.0025 0.0027
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169 c1-no 393.0 1.405 SOURCE3 3 0.0004 0.0005
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170 c1-o 777.0 1.166 SOURCE2 9 0.0044 0.0052
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171 c1-oh 435.6 1.326 SOURCE3 1 0.0000 0.0000
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172 c1-os 437.1 1.325 SOURCE3 3 0.0139 0.0148
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173 c1-p2 289.3 1.770 SOURCE0 1
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174 c1-p3 275.1 1.790 SOURCE0 1
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175 c1-p4 275.1 1.790 SOURCE0 1
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176 c1-p5 302.2 1.753 SOURCE3 2 0.0000 0.0000
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177 c1-s 371.8 1.630 SOURCE1 14 0.0000 0.0000
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178 c1-s2 410.0 1.595 SOURCE3 1 0.0000 0.0000
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179 c1-s4 272.9 1.746 SOURCE3 2 0.0000 0.0000
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180 c1-s6 290.4 1.722 SOURCE3 2 0.0000 0.0000
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181 c1-sh 324.5 1.680 SOURCE0 1
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182 c1-ss 325.4 1.679 SOURCE1 10 0.0000 0.0000
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183 c2-c2 589.7 1.324 SOURCE1 974 0.0048 0.0096
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184 c2-c3 328.3 1.508 SOURCE1 2536 0.0016 0.0021
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185 c2-ca 357.2 1.480 SOURCE0 1
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186 c2-cc 522.6 1.360 SOURCE1 771 0.0152 0.0185
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187 c2-cd 522.6 1.360 SOURCE1 771 0.0152 0.0185
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188 c2-ce 560.5 1.339 SOURCE3 62 0.0085 0.0128
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189 c2-cf 560.5 1.339 SOURCE3 62 same as c2-ce
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190 c2-cl 328.8 1.722 SOURCE1 163 0.0093 0.0098
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191 c2-cu 573.9 1.332 SOURCE2 1 0.0000 0.0000
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192 c2-cx 333.3 1.503 SOURCE2 1 0.0000 0.0000
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193 c2-cy 309.4 1.528 SOURCE2 1 0.0000 0.0000
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194 c2-f 368.7 1.340 SOURCE1 34 0.0000 0.0000
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195 c2-h4 348.6 1.084 SOURCE3 40 0.0037 0.0058
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196 c2-h5 357.5 1.078 SOURCE3 3 0.0061 0.0067
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197 c2-ha 344.3 1.087 SOURCE3 797 0.0030 0.0046
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198 c2-hc 344.3 1.087 SOURCE3 789 0.0030 0.0046
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199 c2-hx 350.1 1.083 SOURCE3 3 0.0008 0.0008
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200 c2-i 223.2 2.153 SOURCE3 2 0.0000 0.0000
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201 c2-n 390.5 1.407 SOURCE3 9 0.0109 0.0124
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202 c2-n1 546.0 1.306 SOURCE3 4 0.0161 0.0161
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203 c2-n2 581.1 1.288 SOURCE1 103 0.0095 0.0100
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204 c2-n3 486.3 1.340 SOURCE0 1
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205 c2-n4 309.1 1.482 SOURCE3 5 0.0047 0.0064
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206 c2-na 411.1 1.391 SOURCE3 31 0.0271 0.0289
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207 c2-nc 533.0 1.313 SOURCE1 99 0.0065 0.0095
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208 c2-nd 533.0 1.313 SOURCE1 99 same as c2-nc
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209 c2-ne 597.7 1.280 SOURCE3 37 0.0090 0.0110
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210 c2-nf 597.7 1.280 SOURCE3 37 same as c2-ne
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211 c2-nh 462.6 1.355 SOURCE3 38 0.0385 0.0413
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212 c2-no 327.6 1.463 SOURCE3 4 0.0013 0.0013
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213 c2-o 546.2 1.261 SOURCE3 4 0.0144 0.0144
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214 c2-oh 425.4 1.333 SOURCE1 53 0.0000 0.0000
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215 c2-os 392.6 1.357 SOURCE1 315 0.0088 0.0097
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216 c2-p2 375.9 1.670 SOURCE3 62 0.0078 0.0147
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217 c2-p3 246.6 1.834 SOURCE3 5 0.0041 0.0042
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218 c2-p4 254.0 1.822 SOURCE0 1
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219 c2-p5 255.2 1.820 SOURCE0 1
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220 c2-pe 355.3 1.691 SOURCE3 52 0.0318 0.0542
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221 c2-pf 355.3 1.691 SOURCE3 52 same as c2-pe
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222 c2-s 281.5 1.734 SOURCE3 4 0.0034 0.0034
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223 c2-s2 393.1 1.610 SOURCE2 1 0.0000 0.0000
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224 c2-s4 263.2 1.760 SOURCE0 1
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225 c2-s6 263.2 1.760 SOURCE0 1
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226 c2-sh 255.3 1.772 SOURCE3 3 0.0068 0.0072
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227 c2-ss 280.0 1.736 SOURCE1 209 0.0135 0.0155
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228 c3-c3 303.1 1.535 SOURCE1 14664 0.0043 0.0048
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229 c3-ca 323.5 1.513 SOURCE1 1813 0.0000 0.0000
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230 c3-cc 337.3 1.499 SOURCE3 50 0.0059 0.0096
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231 c3-cd 337.3 1.499 SOURCE3 50 0.0059 0.0096
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232 c3-ce 331.3 1.505 SOURCE3 9 0.0019 0.0024
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233 c3-cf 331.3 1.505 SOURCE3 9 same as c3-ce
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234 c3-cl 279.0 1.786 SOURCE1 267 0.0151 0.0194
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235 c3-cu 359.4 1.478 SOURCE1 7 0.0000 0.0000
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236 c3-cv 347.6 1.489 SOURCE1 11 0.0000 0.0000
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237 c3-cx 322.5 1.514 SOURCE1 712 0.0044 0.0045
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238 c3-cy 308.5 1.529 SOURCE1 376 0.0000 0.0000
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239 c3-f 363.8 1.344 SOURCE1 617 0.0241 0.0281
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240 c3-h1 335.9 1.093 SOURCE3 2175 0.0045 0.0082
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241 c3-h2 326.4 1.100 SOURCE3 66 0.0110 0.0280
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242 c3-h3 335.9 1.093 SOURCE2 1 0.0000 0.0000
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243 c3-hc 337.3 1.092 SOURCE3 2815 0.0040 0.0059
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244 c3-hx 338.7 1.091 SOURCE3 146 0.0023 0.0066
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245 c3-i 219.1 2.162 SOURCE1 15 0.0000 0.0000
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246 c3-n 330.6 1.460 SOURCE1 187 0.0065 0.0079
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247 c3-n1 325.1 1.470 SOURCE3
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248 c3-n2 313.8 1.477 SOURCE1 129 0.0136 0.0138
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249 c3-n3 320.6 1.470 SOURCE1 1678 0.0013 0.0017
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250 c3-n4 293.6 1.499 SOURCE1 1370 0.0000 0.0000
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251 c3-na 334.7 1.456 SOURCE3 23 0.0096 0.0119
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252 c3-nc 334.7 1.456 SOURCE3 9 0.0091 0.0109
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253 c3-nd 334.7 1.456 SOURCE3 9 same as c3-nc
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254 c3-nh 332.7 1.458 SOURCE3 27 0.0067 0.0085
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255 c3-no 265.4 1.533 SOURCE1 83 0.0163 0.0212
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256 c3-o 422.6 1.335 SOURCE3 4 0.0100 0.0100
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257 c3-oh 314.1 1.426 SOURCE1 914 0.0110 0.0129
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258 c3-os 301.5 1.439 SOURCE1 3123 0.0112 0.0126
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259 c3-p2 234.3 1.855 SOURCE3 9 0.0100 0.0125
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260 c3-p3 240.6 1.844 SOURCE3 109 0.0091 0.0107
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261 c3-p4 247.2 1.833 SOURCE3 29 0.0091 0.0138
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262 c3-p5 259.7 1.813 SOURCE1 84 0.0000 0.0000
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263 c3-px 252.7 1.824 SOURCE3 28 0.0079 0.0098
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264 c3-py 259.7 1.813 SOURCE3 13 0.0144 0.0163
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265 c3-s 212.9 1.845 SOURCE3 4 0.0185 0.0185
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|
|
266 c3-s4 233.8 1.807 SOURCE1 139 0.0022 0.0023
|
|
|
267 c3-s6 254.0 1.774 SOURCE1 118 0.0080 0.0103
|
|
|
268 c3-sh 225.3 1.822 SOURCE3 12 0.0042 0.0051
|
|
|
269 c3-ss 225.8 1.821 SOURCE1 358 0.0049 0.0075
|
|
|
270 c3-sx 232.6 1.809 SOURCE3 30 0.0050 0.0067
|
|
|
271 c3-sy 248.9 1.782 SOURCE3 31 0.0034 0.0039
|
|
|
272 ca-ca 478.4 1.387 SOURCE1 6228 0.0096 0.0147
|
|
|
273 ca-cc 411.7 1.434 SOURCE1 80 0.0000 0.0000
|
|
|
274 ca-cd 411.7 1.434 SOURCE1 80 0.0000 0.0000
|
|
|
275 ca-ce 366.0 1.472 SOURCE1 71 0.0029 0.0030
|
|
|
276 ca-cf 366.0 1.472 SOURCE1 71 0.0029 0.0030
|
|
|
277 ca-cg 406.6 1.438 SOURCE1 71 0.0045 0.0045
|
|
|
278 ca-ch 406.6 1.438 SOURCE1 71 0.0045 0.0045
|
|
|
279 ca-cl 322.8 1.729 SOURCE1 704 0.0095 0.0095
|
|
|
280 ca-cp 466.1 1.395 SOURCE3 14 0.0098 0.0110
|
|
|
281 ca-cx 350.8 1.486 SOURCE1 98 0.0064 0.0118
|
|
|
282 ca-f 363.8 1.344 SOURCE1 205 0.0069 0.0089
|
|
|
283 ca-h4 342.9 1.088 SOURCE3 57 0.0016 0.0026
|
|
|
284 ca-h5 347.2 1.085 SOURCE3 15 0.0038 0.0048
|
|
|
285 ca-ha 344.3 1.087 SOURCE3 1496 0.0024 0.0045
|
|
|
286 ca-i 252.4 2.095 SOURCE1 51 0.0000 0.0000
|
|
|
287 ca-n 372.3 1.422 SOURCE3 9 0.0092 0.0098
|
|
|
288 ca-n1 398.1 1.400 SOURCE3
|
|
|
289 ca-n2 320.6 1.470 SOURCE2 1 0.0000 0.0000
|
|
|
290 ca-n4 325.6 1.465 SOURCE1 23 0.0000 0.0000
|
|
|
291 ca-na 470.3 1.350 SOURCE1 150 0.0091 0.0103
|
|
|
292 ca-nb 483.1 1.342 SOURCE3 104 0.0052 0.0076
|
|
|
293 ca-nc 492.9 1.336 SOURCE1 1826 0.0012 0.0020
|
|
|
294 ca-nd 492.9 1.336 SOURCE1 1826 0.0012 0.0020
|
|
|
295 ca-ne 361.8 1.431 SOURCE1 52 0.0000 0.0000
|
|
|
296 ca-nf 361.8 1.431 SOURCE1 52 0.0000 0.0000
|
|
|
297 ca-nh 449.0 1.364 SOURCE1 137 0.0084 0.0085
|
|
|
298 ca-no 322.6 1.468 SOURCE1 556 0.0000 0.0000
|
|
|
299 ca-o 519.7 1.275 SOURCE3 2 0.0000 0.0000
|
|
|
300 ca-oh 386.1 1.362 SOURCE1 551 0.0000 0.0000
|
|
|
301 ca-os 372.4 1.373 SOURCE1 1092 0.0048 0.0071
|
|
|
302 ca-p2 243.0 1.840 SOURCE0 1
|
|
|
303 ca-p3 252.7 1.824 SOURCE1 145 0.0171 0.0187
|
|
|
304 ca-p4 264.3 1.806 SOURCE0 1
|
|
|
305 ca-p5 271.6 1.795 SOURCE1 571 0.0020 0.0028
|
|
|
306 ca-pe 249.6 1.829 SOURCE3 10 0.0034 0.0042
|
|
|
307 ca-pf 249.6 1.829 SOURCE3 10 0.0034 0.0042
|
|
|
308 ca-px 252.1 1.825 SOURCE3 5 0.0153 0.0168
|
|
|
309 ca-py 268.3 1.800 SOURCE3 3 0.0051 0.0054
|
|
|
310 ca-s 277.9 1.739 SOURCE3 2 0.0000 0.0000
|
|
|
311 ca-s4 245.2 1.788 SOURCE1 51 0.0038 0.0048
|
|
|
312 ca-s6 263.9 1.759 SOURCE1 229 0.0030 0.0036
|
|
|
313 ca-sh 245.8 1.787 SOURCE3 2 0.0055 0.0055
|
|
|
314 ca-ss 256.6 1.770 SOURCE1 297 0.0034 0.0041
|
|
|
315 ca-sx 233.8 1.807 SOURCE3 3 0.0015 0.0016
|
|
|
316 ca-sy 247.7 1.784 SOURCE3 13 0.0068 0.0094
|
|
|
317 cc-cc 418.3 1.429 SOURCE1 740 0.0058 0.0069
|
|
|
318 cc-cd 504.0 1.371 SOURCE3 523 0.0156 0.0217
|
|
|
319 cc-cf 519.2 1.362 SOURCE3 1 0.0000 0.0000
|
|
|
320 cc-cg 420.9 1.427 SOURCE1 560 0.0000 0.0000
|
|
|
321 cc-ch 420.9 1.427 SOURCE1 560 0.0000 0.0000
|
|
|
322 cc-cl 348.3 1.700 SOURCE3 1 0.0000 0.0000
|
|
|
323 cc-h4 350.1 1.083 SOURCE3 599 0.0028 0.0037
|
|
|
324 cc-h5 356.0 1.079 SOURCE3 40 0.0040 0.0051
|
|
|
325 cc-ha 347.2 1.085 SOURCE3 740 0.0029 0.0039
|
|
|
326 cc-n 426.0 1.380 SOURCE3 56 0.0075 0.0109
|
|
|
327 cc-n2 561.3 1.298 SOURCE3 4 0.0096 0.0096
|
|
|
328 cc-na 438.8 1.371 SOURCE3 440 0.0107 0.0144
|
|
|
329 cc-nc 431.6 1.376 SOURCE1 88 0.0000 0.0000
|
|
|
330 cc-nd 494.6 1.335 SOURCE3 203 0.0171 0.0239
|
|
|
331 cc-nh 449.0 1.364 SOURCE3 6 0.0038 0.0040
|
|
|
332 cc-oh 405.9 1.347 SOURCE3 3 0.0077 0.0077
|
|
|
333 cc-os 376.1 1.370 SOURCE3 86 0.0139 0.0192
|
|
|
334 cc-pd 318.2 1.733 SOURCE3 84 same as cd-pc
|
|
|
335 cc-ss 279.3 1.737 SOURCE3 52 0.0162 0.0194
|
|
|
336 cd-cd 418.3 1.429 SOURCE1 740 0.0058 0.0069
|
|
|
337 cd-cd 504.0 1.371 SOURCE3 523 same as cc-cd
|
|
|
338 cd-ce 519.2 1.362 SOURCE3 1 same as cc-cf
|
|
|
339 cd-cg 420.9 1.427 SOURCE1 560 0.0000 0.0000
|
|
|
340 cd-ch 420.9 1.427 SOURCE1 560 0.0000 0.0000
|
|
|
341 cd-cl 348.3 1.700 SOURCE3 1 same as cc-cl
|
|
|
342 cd-h4 350.1 1.083 SOURCE3 599 0.0028 0.0037
|
|
|
343 cd-h5 356.0 1.079 SOURCE3 40 0.0040 0.0051
|
|
|
344 cd-ha 347.2 1.085 SOURCE3 740 0.0029 0.0039
|
|
|
345 cd-n 426.0 1.380 SOURCE3 56 0.0075 0.0109
|
|
|
346 cd-n2 561.3 1.298 SOURCE3 4 0.0096 0.0096
|
|
|
347 cd-na 438.8 1.371 SOURCE3 440 0.0107 0.0144
|
|
|
348 cd-nc 494.6 1.335 SOURCE3 203 0.0171 0.0239
|
|
|
349 cd-nd 431.6 1.376 SOURCE1 88 0.0000 0.0000
|
|
|
350 cd-nh 449.0 1.364 SOURCE3 6 0.0038 0.0040
|
|
|
351 cd-oh 405.9 1.347 SOURCE3 3 0.0077 0.0077
|
|
|
352 cd-os 376.1 1.370 SOURCE3 86 0.0139 0.0192
|
|
|
353 cd-pc 318.2 1.733 SOURCE3 84 0.0088 0.0161
|
|
|
354 cd-ss 279.3 1.737 SOURCE3 52 0.0162 0.0194
|
|
|
355 ce-ce 390.5 1.451 SOURCE1 66 0.0060 0.0060
|
|
|
356 ce-cf 562.4 1.338 SOURCE1 543 0.0035 0.0045
|
|
|
357 ce-cg 415.6 1.431 SOURCE1 22 0.0000 0.0000
|
|
|
358 ce-ch 415.6 1.431 SOURCE1 22 0.0000 0.0000
|
|
|
359 ce-ha 341.5 1.089 SOURCE3 55 0.0030 0.0056
|
|
|
360 ce-n1 522.2 1.319 SOURCE3 3 0.0121 0.0121
|
|
|
361 ce-n2 599.8 1.279 SOURCE1 75 0.0000 0.0000
|
|
|
362 ce-ne 381.8 1.414 SOURCE3 7 0.0093 0.0103
|
|
|
363 ce-nh 484.7 1.341 SOURCE3 1 0.0000 0.0000
|
|
|
364 ce-p2 259.1 1.814 SOURCE0 1
|
|
|
365 ce-pe 256.5 1.818 SOURCE3 8 0.0090 0.0108
|
|
|
366 ce-px 254.6 1.821 SOURCE3 6 0.0034 0.0046
|
|
|
367 ce-py 272.3 1.794 SOURCE3 5 0.0034 0.0045
|
|
|
368 ce-s 324.5 1.680 SOURCE0 1
|
|
|
369 ce-sx 239.7 1.797 SOURCE3 5 0.0080 0.0082
|
|
|
370 ce-sy 248.9 1.782 SOURCE3 5 0.0105 0.0114
|
|
|
371 cf-cf 390.5 1.451 SOURCE1 66 0.0060 0.0060
|
|
|
372 cf-cf 562.4 1.338 SOURCE1 543 same as ce-cf
|
|
|
373 cf-cg 415.6 1.431 SOURCE1 22 0.0000 0.0000
|
|
|
374 cf-ch 415.6 1.431 SOURCE1 22 0.0000 0.0000
|
|
|
375 cf-ha 341.5 1.089 SOURCE3 55 0.0030 0.0056
|
|
|
376 cf-n1 522.2 1.319 SOURCE3 3 0.0121 0.0121
|
|
|
377 cf-n2 599.8 1.279 SOURCE1 75 same as ce-n2
|
|
|
378 cf-nf 381.8 1.414 SOURCE3 7 same as ce-ne
|
|
|
379 cf-nh 484.7 1.341 SOURCE3 1 same as ce-nh
|
|
|
380 cf-p2 259.1 1.814 SOURCE0 1 same as ce-p2
|
|
|
381 cf-pf 256.5 1.818 SOURCE3 8 same as ce-pe
|
|
|
382 cf-px 254.6 1.821 SOURCE3 6 same as ce-px
|
|
|
383 cf-py 272.3 1.794 SOURCE3 5 same as ce-py
|
|
|
384 cf-s 324.5 1.680 SOURCE0 1 same as ce- s
|
|
|
385 cf-sx 239.7 1.797 SOURCE3 5 same as ce-sx
|
|
|
386 cf-sy 248.9 1.782 SOURCE3 5 same as ce-sy
|
|
|
387 cg-cg 494.2 1.377 SOURCE1 42 0.0000 0.0000
|
|
|
388 cg-ch 949.5 1.191 SOURCE1 80 0.0015 0.0015
|
|
|
389 cg-n1 994.7 1.143 SOURCE1 316 0.0011 0.0018
|
|
|
390 cg-ne 450.5 1.363 SOURCE3 4 0.0189 0.0204
|
|
|
391 cg-pe 429.8 1.621 SOURCE3 11 0.1928 0.2008
|
|
|
392 ch-ch 494.2 1.377 SOURCE1 42 0.0000 0.0000
|
|
|
393 ch-ch 949.5 1.191 SOURCE1 80 same as cg-ch
|
|
|
394 ch-n1 994.7 1.143 SOURCE1 316 0.0011 0.0018
|
|
|
395 ch-nf 450.5 1.363 SOURCE3 4 same as cg-ne
|
|
|
396 ch-pf 429.8 1.621 SOURCE3 11 same as cg-pe
|
|
|
397 cl-cl 143.3 2.267 SOURCE1 2 0.0395 0.0395
|
|
|
398 cl-cx 301.8 1.755 SOURCE1 64 0.0000 0.0000
|
|
|
399 cl-cy 292.0 1.768 SOURCE2 2 0.0070 0.0070
|
|
|
400 cl-f 298.6 1.648 SOURCE2 2 0.0500 0.0500
|
|
|
401 cl-i 163.5 2.550 SOURCE1 6 0.0605 0.0893
|
|
|
402 cl-n 331.8 1.728 SOURCE3 3 0.0107 0.0113
|
|
|
403 cl-n1 431.6 1.630 SOURCE0 1
|
|
|
404 cl-n2 263.4 1.819 SOURCE3 6 0.0784 0.1020
|
|
|
405 cl-n3 298.6 1.769 SOURCE3 4 0.0070 0.0095
|
|
|
406 cl-n4 311.1 1.753 SOURCE3 4 0.0085 0.0098
|
|
|
407 cl-na 253.2 1.835 SOURCE3 7 0.1858 0.2083
|
|
|
408 cl-nh 303.2 1.763 SOURCE3 1 0.0000 0.0000
|
|
|
409 cl-no 250.1 1.840 SOURCE2 1 0.0000 0.0000
|
|
|
410 cl-o 557.6 1.483 SOURCE3 4 0.0000 0.0000
|
|
|
411 cl-oh 309.7 1.690 SOURCE2 1 0.0000 0.0000
|
|
|
412 cl-os 278.8 1.730 SOURCE3 4 0.0000 0.0000
|
|
|
413 cl-p2 217.5 2.070 SOURCE3 6 0.0086 0.0108
|
|
|
414 cl-p3 249.4 2.008 SOURCE1 111 0.0000 0.0000
|
|
|
415 cl-p4 249.4 2.008 SOURCE1 111 0.0000 0.0000
|
|
|
416 cl-p5 249.4 2.008 SOURCE1 111 0.0000 0.0000
|
|
|
417 cl-pb 255.6 1.997 SOURCE1 46 0.0000 0.0000
|
|
|
418 cl-s 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
419 cl-s2 172.7 2.161 SOURCE2 1 0.0000 0.0000
|
|
|
420 cl-s4 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
421 cl-s6 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
422 cl-sh 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
423 cl-ss 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
424 cl-sx 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
425 cl-sy 208.7 2.072 SOURCE1 6 0.0000 0.0000
|
|
|
426 cp-cp 346.5 1.490 SOURCE1 242 0.0007 0.0010
|
|
|
427 cp-nb 470.3 1.350 SOURCE3 2 0.0000 0.0000
|
|
|
428 cq-cq 346.5 1.490 SOURCE1 242 0.0007 0.0010
|
|
|
429 cu-cu 653.7 1.294 SOURCE1 10 0.0000 0.0000
|
|
|
430 cu-cx 327.3 1.509 SOURCE1 20 0.0000 0.0000
|
|
|
431 cu-ha 353.0 1.081 SOURCE2 3 0.0104 0.0111
|
|
|
432 cv-cv 568.1 1.335 SOURCE1 25 0.0000 0.0000
|
|
|
433 cv-cy 323.5 1.513 SOURCE1 50 0.0000 0.0000
|
|
|
434 cv-ha 344.3 1.087 SOURCE3 2 0.0000 0.0000
|
|
|
435 cx-cv 328.3 1.508 SOURCE1 2536 Same as
|
|
|
436 cx-cx 337.3 1.499 SOURCE1 1204 0.0159 0.0183
|
|
|
437 cx-cy 321.5 1.515 SOURCE3 2 0.0000 0.0000
|
|
|
438 cx-f 347.2 1.358 SOURCE2 3 0.0047 0.0050
|
|
|
439 cx-h1 344.3 1.087 SOURCE3 10 0.0013 0.0017
|
|
|
440 cx-h2 350.1 1.083 SOURCE3 2 0.0000 0.0000
|
|
|
441 cx-hc 345.8 1.086 SOURCE3 44 0.0009 0.0011
|
|
|
442 cx-n 315.7 1.475 SOURCE3 1 0.0000 0.0000
|
|
|
443 cx-n2 309.1 1.482 SOURCE3 2 0.0000 0.0000
|
|
|
444 cx-n3 318.7 1.472 SOURCE1 134 0.0000 0.0000
|
|
|
445 cx-oh 387.4 1.361 SOURCE3 3 0.0017 0.0018
|
|
|
446 cx-os 320.1 1.420 SOURCE3 7 0.0205 0.0222
|
|
|
447 cx-p3 227.6 1.867 SOURCE2 1 0.0000 0.0000
|
|
|
448 cx-s4 225.3 1.822 SOURCE2 1 0.0000 0.0000
|
|
|
449 cx-s6 283.7 1.731 SOURCE2 1 0.0000 0.0000
|
|
|
450 cx-ss 229.2 1.815 SOURCE2 1 0.0000 0.0000
|
|
|
451 cy-cy 286.8 1.554 SOURCE1 742 0.0013 0.0041
|
|
|
452 cy-h1 330.4 1.097 SOURCE3 17 0.0042 0.0058
|
|
|
453 cy-hc 334.5 1.094 SOURCE3 63 0.0012 0.0014
|
|
|
454 cy-n3 307.2 1.484 SOURCE1 21 0.0000 0.0000
|
|
|
455 cy-oh 325.2 1.415 SOURCE3 2 0.0000 0.0000
|
|
|
456 cy-os 280.7 1.462 SOURCE3 4 0.0101 0.0101
|
|
|
457 f -n 391.7 1.397 SOURCE3 3 0.0106 0.0112
|
|
|
458 f -n1 375.7 1.410 SOURCE0 1
|
|
|
459 f -n2 337.5 1.444 SOURCE3 5 0.0292 0.0377
|
|
|
460 f -n3 380.6 1.406 SOURCE1 9 0.0000 0.0000
|
|
|
461 f -n4 526.8 1.308 SOURCE3 2 0.0000 0.0000
|
|
|
462 f -na 374.5 1.411 SOURCE3 7 0.0537 0.0611
|
|
|
463 f -nh 357.1 1.426 SOURCE3 3 0.0080 0.0085
|
|
|
464 f -no 314.4 1.467 SOURCE2 1 0.0000 0.0000
|
|
|
465 f -o 442.2 1.330 SOURCE0 1
|
|
|
466 f -oh 305.4 1.444 SOURCE3 1 0.0000 0.0000
|
|
|
467 f -os 326.2 1.423 SOURCE3 2 0.0000 0.0000
|
|
|
468 f -p2 287.3 1.536 SOURCE3 7 0.1437 0.2054
|
|
|
469 f -p3 254.5 1.578 SOURCE2 8 0.0093 0.0103
|
|
|
470 f -p4 246.0 1.590 SOURCE0 1
|
|
|
471 f -p5 253.8 1.579 SOURCE1 72 0.0000 0.0000
|
|
|
472 f -s 233.3 1.660 SOURCE0 1
|
|
|
473 f -s2 244.4 1.643 SOURCE2 1 0.0000 0.0000
|
|
|
474 f -s4 282.4 1.591 SOURCE2 4 0.0065 0.0065
|
|
|
475 f -s6 312.1 1.556 SOURCE2 5 0.0163 0.0220
|
|
|
476 f -sh 240.4 1.649 SOURCE3 1 0.0000 0.0000
|
|
|
477 f -ss 250.5 1.634 SOURCE3 3 0.0147 0.0156
|
|
|
478 hn-n 410.2 1.009 SOURCE3 149 0.0089 0.0098
|
|
|
479 hn-n1 455.1 0.986 SOURCE2 1 0.0000 0.0000
|
|
|
480 hn-n2 375.5 1.029 SOURCE3 108 0.0070 0.0096
|
|
|
481 hn-n3 394.1 1.018 SOURCE3 157 0.0063 0.0086
|
|
|
482 hn-n4 369.0 1.033 SOURCE3 264 0.0054 0.0082
|
|
|
483 hn-na 406.6 1.011 SOURCE3 46 0.0076 0.0107
|
|
|
484 hn-nh 401.2 1.014 SOURCE3 209 0.0068 0.0091
|
|
|
485 hn-no 385.6 1.023 SOURCE3 1 0.0000 0.0000
|
|
|
486 ho-o 357.9 0.981 SOURCE3 1 0.0000 0.0000
|
|
|
487 ho-oh 369.6 0.974 SOURCE3 367 0.0069 0.0105
|
|
|
488 hp-p2 385.1 1.336 SOURCE3 87 0.1430 0.1706
|
|
|
489 hp-p3 303.1 1.409 SOURCE3 101 0.0170 0.0617
|
|
|
490 hp-p4 368.7 1.349 SOURCE3 17 0.1277 0.1577
|
|
|
491 hp-p5 305.0 1.407 SOURCE3 7 0.0049 0.0062
|
|
|
492 hs-s 286.4 1.353 SOURCE3 1 0.0000 0.0000
|
|
|
493 hs-s4 266.4 1.375 SOURCE3 5 0.0004 0.0004
|
|
|
494 hs-s6 280.8 1.359 SOURCE3 5 0.0012 0.0015
|
|
|
495 hs-sh 302.2 1.337 SOURCE3 98 0.0150 0.0486
|
|
|
496 i -i 109.2 2.917 SOURCE1 1 0.0000 0.0000
|
|
|
497 i -n 278.3 2.098 SOURCE3 5 0.0153 0.0156
|
|
|
498 i -n1 302.1 2.060 SOURCE0 1
|
|
|
499 i -n2 182.6 2.304 SOURCE3 6 0.1010 0.1186
|
|
|
500 i -n3 231.8 2.185 SOURCE3 3 0.0412 0.0437
|
|
|
501 i -n4 246.6 2.155 SOURCE3 3 0.0158 0.0168
|
|
|
502 i -na 260.5 2.129 SOURCE3 8 0.0838 0.1276
|
|
|
503 i -nh 249.2 2.150 SOURCE3 1 0.0000 0.0000
|
|
|
504 i -no 211.0 2.231 SOURCE3 1 0.0000 0.0000
|
|
|
505 i -o 323.8 1.980 SOURCE0 1
|
|
|
506 i -oh 247.9 2.101 SOURCE3 2 0.0000 0.0000
|
|
|
507 i -os 233.6 2.129 SOURCE3 3 0.0138 0.0146
|
|
|
508 i -p2 108.2 2.643 SOURCE3 6 0.0266 0.0297
|
|
|
509 i -p3 123.6 2.566 SOURCE3 3 0.0015 0.0016
|
|
|
510 i -p4 183.0 2.352 SOURCE3 4 0.2600 0.2600
|
|
|
511 i -p5 117.3 2.596 SOURCE3 3 0.0135 0.0143
|
|
|
512 i -s 175.1 2.430 SOURCE0 1
|
|
|
513 i -s4 82.8 2.870 SOURCE0 1
|
|
|
514 i -s6 82.8 2.870 SOURCE3 1 0.0000 0.0000
|
|
|
515 i -sh 138.5 2.560 SOURCE0 1
|
|
|
516 i -ss 135.9 2.571 SOURCE3 3 0.0061 0.0065
|
|
|
517 n -n 469.7 1.390 SOURCE3 5 0.0035 0.0038
|
|
|
518 n -n1 553.9 1.340 SOURCE0 1
|
|
|
519 n -n2 499.7 1.371 SOURCE3 9 0.0164 0.0200
|
|
|
520 n -n3 443.3 1.408 SOURCE3 5 0.0077 0.0087
|
|
|
521 n -n4 410.8 1.432 SOURCE3 5 0.0096 0.0098
|
|
|
522 n -na 486.8 1.379 SOURCE3 11 0.0052 0.0071
|
|
|
523 n -nc 532.1 1.352 SOURCE3 4 0.0055 0.0058
|
|
|
524 n -nd 532.1 1.352 SOURCE3 4 same as n -nc
|
|
|
525 n -nh 437.7 1.412 SOURCE3 4 0.0035 0.0037
|
|
|
526 n -no 381.2 1.456 SOURCE3 4 0.0278 0.0327
|
|
|
527 n -o 646.6 1.264 SOURCE3 9 0.0336 0.0381
|
|
|
528 n -oh 395.4 1.410 SOURCE3 6 0.0078 0.0106
|
|
|
529 n -os 372.3 1.429 SOURCE3 7 0.0364 0.0528
|
|
|
530 n -p2 310.3 1.733 SOURCE3 8 0.0143 0.0217
|
|
|
531 n -p3 282.2 1.770 SOURCE3 9 0.0102 0.0118
|
|
|
532 n -p4 309.5 1.734 SOURCE3 1 0.0000 0.0000
|
|
|
533 n -p5 327.0 1.713 SOURCE3 4 0.0084 0.0109
|
|
|
534 n -pc 304.8 1.740 SOURCE3 3 0.0009 0.0010
|
|
|
535 n -pd 304.8 1.740 SOURCE3 3 same as n -pc
|
|
|
536 n -s 247.5 1.767 SOURCE3 3 0.0011 0.0011
|
|
|
537 n -s4 238.2 1.782 SOURCE3 4 0.0154 0.0214
|
|
|
538 n -s6 270.8 1.732 SOURCE3 4 0.0177 0.0224
|
|
|
539 n -sh 273.6 1.728 SOURCE3 4 0.0108 0.0128
|
|
|
540 n -ss 281.6 1.717 SOURCE3 7 0.0120 0.0133
|
|
|
541 n1-n1 1221.7 1.124 SOURCE1 19 0.0000 0.0000
|
|
|
542 n1-n1 1365.7 1.100 SOURCE3
|
|
|
543 n1-n2 857.4 1.216 SOURCE1 19 0.0000 0.0000
|
|
|
544 n1-n3 535.7 1.350 SOURCE0 1
|
|
|
545 n1-n4 518.2 1.360 SOURCE0 1
|
|
|
546 n1-na 535.7 1.350 SOURCE0 1
|
|
|
547 n1-nc 857.4 1.216 SOURCE1 38 0.0000 0.0000
|
|
|
548 n1-nd 857.4 1.216 SOURCE1 38 0.0000 0.0000
|
|
|
549 n1-ne 751.9 1.252 SOURCE2 1 0.0000 0.0000
|
|
|
550 n1-nf 751.9 1.252 SOURCE2 1 same as n1-ne
|
|
|
551 n1-nh 553.9 1.340 SOURCE0 1
|
|
|
552 n1-no 454.8 1.400 SOURCE0 1
|
|
|
553 n1-o 617.5 1.277 SOURCE3 5 0.0340 0.0438
|
|
|
554 n1-oh 569.8 1.300 SOURCE0 1
|
|
|
555 n1-os 550.5 1.310 SOURCE0 1
|
|
|
556 n1-p2 358.8 1.678 SOURCE3 2 0.0282 0.0282
|
|
|
557 n1-p3 376.7 1.660 SOURCE0 1
|
|
|
558 n1-p4 353.0 1.680 SOURCE3
|
|
|
559 n1-p5 482.7 1.571 SOURCE1 132 0.0000 0.0000
|
|
|
560 n1-s 328.7 1.659 SOURCE3 6 0.0693 0.0789
|
|
|
561 n1-s2 604.3 1.449 SOURCE2 2 0.0010 0.0010
|
|
|
562 n1-s4 336.8 1.650 SOURCE0 1
|
|
|
563 n1-s6 670.3 1.416 SOURCE2 2 0.0000 0.0000
|
|
|
564 n1-sh 376.1 1.610 SOURCE0 1
|
|
|
565 n1-ss 376.1 1.610 SOURCE0 1
|
|
|
566 n2-n2 702.7 1.271 SOURCE3 27 0.0228 0.0347
|
|
|
567 n2-n3 574.8 1.329 SOURCE2 1 0.0000 0.0000
|
|
|
568 n2-n4 200.8 1.679 SOURCE3 7 0.2778 0.3138
|
|
|
569 n2-na 450.4 1.403 SOURCE3 14 0.0399 0.0575
|
|
|
570 n2-nc 743.9 1.255 SOURCE1 13 same as n2-nd
|
|
|
571 n2-nd 743.9 1.255 SOURCE1 13 0.0000 0.0000
|
|
|
572 n2-ne 685.5 1.278 SOURCE3 30 0.0224 0.0302
|
|
|
573 n2-nf 685.5 1.278 SOURCE3 30 same as n2-ne
|
|
|
574 n2-nh 525.1 1.356 SOURCE3 22 0.0218 0.0300
|
|
|
575 n2-no 231.9 1.626 SOURCE3 4 0.1591 0.1933
|
|
|
576 n2-o 789.9 1.209 SOURCE3 20 0.0284 0.0344
|
|
|
577 n2-oh 416.2 1.394 SOURCE1 67 0.0000 0.0000
|
|
|
578 n2-os 400.5 1.406 SOURCE3 10 0.0120 0.0147
|
|
|
579 n2-p2 438.3 1.605 SOURCE3 35 0.0392 0.0737
|
|
|
580 n2-p3 286.5 1.764 SOURCE3 7 0.0320 0.0374
|
|
|
581 n2-p4 317.7 1.724 SOURCE0 1
|
|
|
582 n2-p5 445.8 1.599 SOURCE1 7 0.0000 0.0000
|
|
|
583 n2-pe 527.9 1.540 SOURCE3 20 0.1112 0.1392
|
|
|
584 n2-pf 527.9 1.540 SOURCE3 20 same as n2-pe
|
|
|
585 n2-s 458.1 1.541 SOURCE1 37 0.0000 0.0000
|
|
|
586 n2-s2 499.0 1.512 SOURCE2 1 0.0000 0.0000
|
|
|
587 n2-s4 376.1 1.610 SOURCE0 1
|
|
|
588 n2-s6 468.9 1.533 SOURCE3 3 0.0144 0.0144
|
|
|
589 n2-sh 266.6 1.738 SOURCE3 5 0.0405 0.0511
|
|
|
590 n2-ss 331.4 1.656 SOURCE1 36 0.0000 0.0000
|
|
|
591 n3-n3 383.6 1.454 SOURCE1 44 0.0000 0.0000
|
|
|
592 n3-n4 434.9 1.414 SOURCE1 13 0.0000 0.0000
|
|
|
593 n3-na 426.7 1.420 SOURCE1 68 0.0000 0.0000
|
|
|
594 n3-nh 426.7 1.420 SOURCE1 68 0.0000 0.0000
|
|
|
595 n3-no 394.5 1.445 SOURCE3 3 0.0196 0.0208
|
|
|
596 n3-o 564.0 1.303 SOURCE3 4 0.1197 0.1217
|
|
|
597 n3-oh 413.5 1.396 SOURCE1 28 0.0000 0.0000
|
|
|
598 n3-os 359.6 1.440 SOURCE1 34 0.0301 0.0315
|
|
|
599 n3-p2 366.6 1.670 SOURCE0 1
|
|
|
600 n3-p3 312.8 1.730 SOURCE1 40 0.0000 0.0000
|
|
|
601 n3-p4 341.1 1.697 SOURCE1 88 0.0000 0.0000
|
|
|
602 n3-p5 373.6 1.663 SOURCE1 501 0.0033 0.0086
|
|
|
603 n3-s 232.3 1.792 SOURCE3 3 0.0168 0.0178
|
|
|
604 n3-s4 251.3 1.761 SOURCE3 6 0.0563 0.0766
|
|
|
605 n3-s6 353.8 1.632 SOURCE1 99 0.0090 0.0136
|
|
|
606 n3-sh 265.9 1.739 SOURCE3 3 0.0145 0.0154
|
|
|
607 n3-ss 277.9 1.722 SOURCE3 5 0.0172 0.0207
|
|
|
608 n4-n4 349.9 1.484 SOURCE3 4 0.0089 0.0089
|
|
|
609 n4-na 407.0 1.435 SOURCE3 9 0.0242 0.0390
|
|
|
610 n4-nh 369.7 1.466 SOURCE3 5 0.0097 0.0108
|
|
|
611 n4-no 354.2 1.480 SOURCE0 1
|
|
|
612 n4-o 463.6 1.361 SOURCE3 3 0.0039 0.0041
|
|
|
613 n4-oh 408.2 1.400 SOURCE3 3 0.0108 0.0115
|
|
|
614 n4-os 381.8 1.421 SOURCE3 5 0.0225 0.0249
|
|
|
615 n4-p2 185.9 1.942 SOURCE3 10 0.0514 0.0643
|
|
|
616 n4-p3 215.1 1.880 SOURCE3 5 0.0143 0.0146
|
|
|
617 n4-p4 187.6 1.938 SOURCE3 1 0.0000 0.0000
|
|
|
618 n4-p5 242.9 1.830 SOURCE3 5 0.0082 0.0087
|
|
|
619 n4-py 204.2 1.902 SOURCE3 4 0.0000 0.0000
|
|
|
620 n4-s 210.3 1.832 SOURCE3 3 0.0004 0.0004
|
|
|
621 n4-s4 151.0 1.972 SOURCE3 3 0.0187 0.0198
|
|
|
622 n4-s6 172.7 1.914 SOURCE3 5 0.0414 0.0432
|
|
|
623 n4-sh 221.5 1.811 SOURCE3 3 0.0025 0.0027
|
|
|
624 n4-ss 221.0 1.812 SOURCE3 5 0.0061 0.0064
|
|
|
625 na-na 453.3 1.401 SOURCE1 40 0.0000 0.0000
|
|
|
626 na-nc 535.7 1.350 SOURCE3 152 0.0117 0.0180
|
|
|
627 na-nd 535.7 1.350 SOURCE3 152 0.0117 0.0180
|
|
|
628 na-nh 453.3 1.401 SOURCE1 40 0.0000 0.0000
|
|
|
629 na-no 401.9 1.439 SOURCE3 9 0.0241 0.0289
|
|
|
630 na-o 644.3 1.265 SOURCE1 25 0.0345 0.0347
|
|
|
631 na-oh 412.2 1.397 SOURCE3 9 0.0161 0.0217
|
|
|
632 na-os 355.2 1.444 SOURCE3 45 0.0349 0.0423
|
|
|
633 na-p2 297.8 1.749 SOURCE3 11 0.0164 0.0192
|
|
|
634 na-p3 288.0 1.762 SOURCE3 8 0.0101 0.0113
|
|
|
635 na-p4 492.4 1.564 SOURCE3 5 0.2116 0.2161
|
|
|
636 na-p5 325.3 1.715 SOURCE3 11 0.0197 0.0238
|
|
|
637 na-pc 311.1 1.732 SOURCE3 81 0.0124 0.0207
|
|
|
638 na-pd 311.1 1.732 SOURCE3 81 same as na-pc
|
|
|
639 na-py 327.8 1.712 SOURCE3 2 0.0000 0.0000
|
|
|
640 na-s 248.7 1.765 SOURCE3 8 0.0083 0.0095
|
|
|
641 na-s4 231.7 1.793 SOURCE3 10 0.0316 0.0421
|
|
|
642 na-s6 274.3 1.727 SOURCE3 10 0.0169 0.0201
|
|
|
643 na-sh 278.6 1.721 SOURCE3 9 0.0101 0.0113
|
|
|
644 na-ss 270.1 1.733 SOURCE3 38 0.0280 0.0412
|
|
|
645 na-sy 274.3 1.727 SOURCE3 1
|
|
|
646 nb-nb 550.2 1.342 SOURCE1 15 0.0307 0.0314
|
|
|
647 nb-pb 461.1 1.587 SOURCE1 162 0.0076 0.0091
|
|
|
648 nc-nc 486.8 1.379 SOURCE3 9 0.0145 0.0164
|
|
|
649 nc-nd 602.9 1.315 SOURCE3 9 0.0205 0.0221
|
|
|
650 nc-os 414.9 1.395 SOURCE1 46 0.0163 0.0188
|
|
|
651 nc-ss 433.5 1.560 SOURCE1 74 0.0000 0.0000
|
|
|
652 nc-sy 439.8 1.555 SOURCE3 2
|
|
|
653 nd-nd 486.8 1.379 SOURCE3 9 0.0145 0.0164
|
|
|
654 nd-nd 602.9 1.315 SOURCE3 9 same as nc-nd
|
|
|
655 nd-os 414.9 1.395 SOURCE1 46 0.0163 0.0188
|
|
|
656 nd-ss 433.5 1.560 SOURCE1 74 0.0000 0.0000
|
|
|
657 nd-sy 439.8 1.555 SOURCE3 2
|
|
|
658 ne-ne 355.3 1.479 SOURCE3 19 0.0960 0.1705
|
|
|
659 ne-nf 738.6 1.257 SOURCE3 1 0.0000 0.0000
|
|
|
660 ne-o 736.4 1.228 SOURCE3 40 0.0207 0.0255
|
|
|
661 ne-p2 493.9 1.563 SOURCE3 14 0.0950 0.1325
|
|
|
662 ne-pe 327.8 1.712 SOURCE3 28 0.0848 0.1076
|
|
|
663 ne-px 336.6 1.702 SOURCE3 11 0.0578 0.0883
|
|
|
664 ne-py 320.2 1.721 SOURCE3 15 0.0497 0.0702
|
|
|
665 ne-s 463.5 1.537 SOURCE3 22 0.1396 0.1708
|
|
|
666 ne-sx 207.3 1.838 SOURCE3 7 0.0760 0.1060
|
|
|
667 ne-sy 257.1 1.752 SOURCE3 7 0.0640 0.0814
|
|
|
668 nf-nf 355.3 1.479 SOURCE3 19 same as ne-ne
|
|
|
669 nf-nf 738.6 1.257 SOURCE3 1 same as ne-nf
|
|
|
670 nf-o 736.4 1.228 SOURCE3 40 same as ne- o
|
|
|
671 nf-p2 493.9 1.563 SOURCE3 14 same as ne-p2
|
|
|
672 nf-pf 327.8 1.712 SOURCE3 28 same as ne-pe
|
|
|
673 nf-px 336.6 1.702 SOURCE3 11 same as ne-px
|
|
|
674 nf-py 320.2 1.721 SOURCE3 15 same as ne-py
|
|
|
675 nf-s 463.5 1.537 SOURCE3 22 same as ne- s
|
|
|
676 nf-sx 207.3 1.838 SOURCE3 7 same as ne-sx
|
|
|
677 nf-sy 257.1 1.752 SOURCE3 7 same as ne-sy
|
|
|
678 nh-nh 453.3 1.401 SOURCE1 40 0.0000 0.0000
|
|
|
679 nh-no 381.2 1.456 SOURCE3 4 0.0364 0.0370
|
|
|
680 nh-o 596.2 1.287 SOURCE3 3 0.0424 0.0450
|
|
|
681 nh-oh 359.6 1.440 SOURCE3 1 0.0000 0.0000
|
|
|
682 nh-os 358.5 1.441 SOURCE3 3 0.0029 0.0031
|
|
|
683 nh-p2 357.8 1.679 SOURCE3 17 0.0422 0.0872
|
|
|
684 nh-p3 312.8 1.730 SOURCE3 3 0.0015 0.0016
|
|
|
685 nh-p4 333.1 1.706 SOURCE3 3 0.0008 0.0008
|
|
|
686 nh-p5 365.6 1.671 SOURCE3 3 0.0007 0.0007
|
|
|
687 nh-s 237.0 1.784 SOURCE3 3 0.0072 0.0076
|
|
|
688 nh-s4 259.1 1.749 SOURCE3 3 0.0192 0.0203
|
|
|
689 nh-s6 300.0 1.693 SOURCE3 3 0.0036 0.0038
|
|
|
690 nh-sh 288.3 1.708 SOURCE3 1 0.0000 0.0000
|
|
|
691 nh-ss 288.3 1.708 SOURCE1 52 0.0015 0.0015
|
|
|
692 nh-sy 324.2 1.664 SOURCE3 1 0.0000 0.0000
|
|
|
693 no-no 138.3 1.824 SOURCE3 1 0.0000 0.0000
|
|
|
694 no-o 761.2 1.219 SOURCE1 1838 0.0023 0.0049
|
|
|
695 no-oh 400.5 1.406 SOURCE2 1 0.0000 0.0000
|
|
|
696 no-os 320.8 1.477 SOURCE3 4 0.0526 0.0532
|
|
|
697 no-p2 306.3 1.738 SOURCE3 10 0.2024 0.2231
|
|
|
698 no-p3 234.7 1.844 SOURCE3 3 0.0005 0.0005
|
|
|
699 no-p4 220.4 1.870 SOURCE3 3 0.0005 0.0006
|
|
|
700 no-p5 240.5 1.834 SOURCE3 4 0.0019 0.0020
|
|
|
701 no-s 263.8 1.742 SOURCE3 2 0.0000 0.0000
|
|
|
702 no-s4 143.0 1.996 SOURCE3 3 0.0295 0.0313
|
|
|
703 no-s6 149.6 1.976 SOURCE3 3 0.0490 0.0520
|
|
|
704 no-sh 225.4 1.804 SOURCE3 1 0.0000 0.0000
|
|
|
705 no-ss 212.4 1.828 SOURCE3 3 0.0230 0.0244
|
|
|
706 o -o 384.3 1.430 SOURCE3 2 0.0500 0.0500
|
|
|
707 o -oh 294.6 1.517 SOURCE3 2 0.0000 0.0000
|
|
|
708 o -os 306.3 1.504 SOURCE3 3 0.0110 0.0117
|
|
|
709 o -p2 449.7 1.508 SOURCE3 17 0.0167 0.0306
|
|
|
710 o -p3 440.4 1.515 SOURCE3 35 0.0214 0.0297
|
|
|
711 o -p4 456.4 1.503 SOURCE3 42 0.0343 0.0749
|
|
|
712 o -p5 487.7 1.481 SOURCE1 263 0.0180 0.0205
|
|
|
713 o -pe 432.6 1.521 SOURCE3 20 0.0138 0.0171
|
|
|
714 o -pf 432.6 1.521 SOURCE3 20 same as o -pe
|
|
|
715 o -px 459.2 1.501 SOURCE3 37 0.0125 0.0160
|
|
|
716 o -py 477.5 1.488 SOURCE3 63 0.0063 0.0091
|
|
|
717 o -s 194.8 1.802 SOURCE3 2 0.0000 0.0000
|
|
|
718 o -s2 333.6 1.599 SOURCE3 3 0.0666 0.0707
|
|
|
719 o -s4 448.7 1.497 SOURCE1 90 0.0000 0.0000
|
|
|
720 o -s6 541.1 1.436 SOURCE1 1038 0.0072 0.0128
|
|
|
721 o -sh 328.0 1.605 SOURCE3 2 0.0000 0.0000
|
|
|
722 o -ss 398.5 1.537 SOURCE3 3 0.0434 0.0501
|
|
|
723 o -sx 434.2 1.508 SOURCE3 40 0.0083 0.0130
|
|
|
724 o -sy 493.0 1.466 SOURCE3 92 0.0077 0.0114
|
|
|
725 oh-oh 340.5 1.469 SOURCE3 1 0.0000 0.0000
|
|
|
726 oh-os 342.6 1.467 SOURCE3 3 0.0065 0.0072
|
|
|
727 oh-p2 316.8 1.630 SOURCE3 8 0.0600 0.0916
|
|
|
728 oh-p3 278.8 1.677 SOURCE3 3 0.0140 0.0148
|
|
|
729 oh-p4 307.4 1.641 SOURCE3 4 0.0092 0.0092
|
|
|
730 oh-p5 321.2 1.625 SOURCE3 92 0.0293 0.0451
|
|
|
731 oh-py 332.1 1.613 SOURCE3 79 0.0111 0.0138
|
|
|
732 oh-s 190.0 1.812 SOURCE3 2 0.0000 0.0000
|
|
|
733 oh-s4 274.3 1.670 SOURCE3 3 0.0173 0.0184
|
|
|
734 oh-s6 344.1 1.588 SOURCE3 13 0.0072 0.0091
|
|
|
735 oh-sh 258.6 1.692 SOURCE3 2 0.0003 0.0003
|
|
|
736 oh-ss 265.6 1.682 SOURCE3 4 0.0131 0.0131
|
|
|
737 oh-sy 302.6 1.634 SOURCE3 4 0.0153 0.0154
|
|
|
738 os-os 343.6 1.466 SOURCE1 20 0.0047 0.0067
|
|
|
739 os-p2 371.9 1.573 SOURCE1 16 0.0000 0.0000
|
|
|
740 os-p3 272.2 1.686 SOURCE3 6 0.0141 0.0201
|
|
|
741 os-p4 311.6 1.636 SOURCE3 4 0.0056 0.0057
|
|
|
742 os-p5 342.5 1.602 SOURCE1 248 0.0332 0.0400
|
|
|
743 os-py 328.5 1.617 SOURCE3 17 0.0082 0.0139
|
|
|
744 os-s 195.8 1.800 SOURCE3 3 0.0049 0.0052
|
|
|
745 os-s4 253.9 1.699 SOURCE3 8 0.0194 0.0223
|
|
|
746 os-s6 355.0 1.577 SOURCE1 75 0.0019 0.0030
|
|
|
747 os-sh 273.6 1.671 SOURCE3 3 0.0100 0.0106
|
|
|
748 os-ss 250.5 1.704 SOURCE3 9 0.0241 0.0277
|
|
|
749 os-sy 253.9 1.699 SOURCE3 1 0.0000 0.0000
|
|
|
750 p2-p2 490.3 1.786 SOURCE3 25 0.3198 0.3488
|
|
|
751 p2-p3 211.9 2.152 SOURCE3 9 0.1116 0.1777
|
|
|
752 p2-p4 200.4 2.179 SOURCE0 1
|
|
|
753 p2-p5 199.9 2.180 SOURCE0 1
|
|
|
754 p2-pe 401.6 1.867 SOURCE3 16 0.3079 0.3571
|
|
|
755 p2-pf 401.6 1.867 SOURCE3 16 same as p2-pe
|
|
|
756 p2-s 361.6 1.772 SOURCE3 26 0.2523 0.3014
|
|
|
757 p2-s4 139.4 2.190 SOURCE0 1
|
|
|
758 p2-s6 142.3 2.180 SOURCE0 1
|
|
|
759 p2-sh 224.0 1.971 SOURCE3 10 0.2263 0.2829
|
|
|
760 p2-ss 226.6 1.966 SOURCE3 10 0.2189 0.2739
|
|
|
761 p3-p3 186.5 2.214 SOURCE1 41 0.0000 0.0000
|
|
|
762 p3-p4 185.7 2.216 SOURCE3 3 0.0010 0.0011
|
|
|
763 p3-p5 186.9 2.213 SOURCE3 9 0.0257 0.0265
|
|
|
764 p3-s 179.7 2.070 SOURCE0 1
|
|
|
765 p3-s4 173.2 2.087 SOURCE3 8 0.1935 0.2235
|
|
|
766 p3-s6 176.9 2.077 SOURCE3 11 0.1085 0.1420
|
|
|
767 p3-sh 157.3 2.132 SOURCE3 3 0.0073 0.0078
|
|
|
768 p3-ss 161.0 2.121 SOURCE3 3 0.0056 0.0059
|
|
|
769 p4-p4 273.1 2.034 SOURCE1 1 0.0000 0.0000
|
|
|
770 p4-p5 178.0 2.237 SOURCE0 1
|
|
|
771 p4-s 152.7 2.146 SOURCE3 5 0.0571 0.0601
|
|
|
772 p4-s4 123.2 2.251 SOURCE0 1
|
|
|
773 p4-s6 118.9 2.269 SOURCE0 1
|
|
|
774 p4-sh 163.1 2.115 SOURCE3 4 0.0006 0.0008
|
|
|
775 p4-ss 167.0 2.104 SOURCE3 4 0.0042 0.0044
|
|
|
776 p5-p5 261.4 2.054 SOURCE1 1 0.0000 0.0000
|
|
|
777 p5-s 250.8 1.922 SOURCE1 89 0.0097 0.0140
|
|
|
778 p5-s4 191.9 2.040 SOURCE0 1
|
|
|
779 p5-s6 191.9 2.040 SOURCE0 1
|
|
|
780 p5-sh 175.0 2.082 SOURCE3 3 0.0033 0.0035
|
|
|
781 p5-ss 164.8 2.110 SOURCE3 6 0.0379 0.0531
|
|
|
782 pe-pe 240.7 2.092 SOURCE3 7 0.1280 0.1369
|
|
|
783 pe-pf 260.8 2.055 SOURCE3 1 0.0000 0.0000
|
|
|
784 pe-px 291.4 2.005 SOURCE3 12 0.2364 0.2609
|
|
|
785 pe-py 278.6 2.025 SOURCE3 12 0.2453 0.2617
|
|
|
786 pe-s 374.7 1.758 SOURCE3 31 0.2925 0.3197
|
|
|
787 pe-sx 145.9 2.168 SOURCE3 9 0.1092 0.1743
|
|
|
788 pe-sy 133.0 2.213 SOURCE3 6 0.0106 0.0127
|
|
|
789 pf-pf 240.7 2.092 SOURCE3 7 same as pe-pe
|
|
|
790 pf-pf 260.8 2.055 SOURCE3 1 same as pe-pf
|
|
|
791 pf-px 291.4 2.005 SOURCE3 12 same as pe-px
|
|
|
792 pf-py 278.6 2.025 SOURCE3 12 same as pe-py
|
|
|
793 pf-s 374.7 1.758 SOURCE3 31 same as pe- s
|
|
|
794 pf-sx 145.9 2.168 SOURCE3 9 same as pe-sx
|
|
|
795 pf-sy 133.0 2.213 SOURCE3 6 same as pe-sy
|
|
|
796 px-py 192.3 2.199 SOURCE3 5 0.0221 0.0238
|
|
|
797 px-sx 125.4 2.242 SOURCE3 3 0.0112 0.0119
|
|
|
798 px-sy 123.7 2.249 SOURCE3 3 0.0256 0.0272
|
|
|
799 py-py 197.5 2.186 SOURCE3 8 0.0110 0.0132
|
|
|
800 py-sx 121.2 2.259 SOURCE3 7 0.0595 0.0603
|
|
|
801 py-sy 141.7 2.182 SOURCE3 5 0.0044 0.0047
|
|
|
802 s -s 169.0 2.030 SOURCE3 1 0.0000 0.0000
|
|
|
803 s -s2 229.2 1.897 SOURCE1 5 0.0000 0.0000
|
|
|
804 s -s4 152.8 2.076 SOURCE3 4 0.0345 0.0345
|
|
|
805 s -s6 166.0 2.038 SOURCE3 3 0.0293 0.0311
|
|
|
806 s -sh 142.0 2.110 SOURCE3 2 0.0000 0.0000
|
|
|
807 s -ss 148.5 2.089 SOURCE3 1 0.0000 0.0000
|
|
|
808 s4-s4 151.5 2.080 SOURCE0 1
|
|
|
809 s4-s6 151.5 2.080 SOURCE0 1
|
|
|
810 s4-sh 125.7 2.168 SOURCE3 3 0.0214 0.0227
|
|
|
811 s4-ss 126.2 2.166 SOURCE3 5 0.0241 0.0247
|
|
|
812 s6-s6 151.5 2.080 SOURCE0 1
|
|
|
813 s6-sh 142.6 2.108 SOURCE3 3 0.0136 0.0144
|
|
|
814 s6-ss 139.6 2.118 SOURCE3 5 0.0198 0.0209
|
|
|
815 sh-sh 158.9 2.058 SOURCE2 1 0.0000 0.0000
|
|
|
816 sh-ss 155.8 2.067 SOURCE3 3 0.0027 0.0029
|
|
|
817 ss-ss 161.7 2.050 SOURCE1 225 0.0015 0.0015
|
|
|
818 sx-sx 80.9 2.391 SOURCE3 3 0.0174 0.0185
|
|
|
819 sx-sy 105.3 2.255 SOURCE3 5 0.0703 0.0737
|
|
|
820 sy-sy 106.4 2.250 SOURCE3 3 0.0272 0.0289
|
|
|
821
|
|
|
822 hw-ow-hw 100. 104.52 TIP3P water
|
|
|
823 hw-hw-ow 0. 127.74 (found in crystallographic water with 3 bonds)
|
|
|
824 br-c -br 66.9 113.10 SOURCE0 1
|
|
|
825 br-c -c3 63.3 110.74 SOURCE3 1 0.0000 0.0000
|
|
|
826 br-c -o 63.2 121.46 SOURCE3 5 1.5866 1.6264
|
|
|
827 c -c -c 62.3 111.68 SOURCE3 2 6.1226 6.1226
|
|
|
828 c -c -c3 61.7 116.86 SOURCE3 5 0.1552 0.1653
|
|
|
829 c -c -cc 64.0 111.67 SOURCE3 4 5.1992 5.5146
|
|
|
830 c -c -cd 64.0 111.67 SOURCE3 4 5.1992 5.5146
|
|
|
831 c -c -ha 44.8 115.43 SOURCE2 3 0.5556 0.6549
|
|
|
832 c -c -hc 44.6 117.08 SOURCE0 1
|
|
|
833 c -c -n 69.9 104.81 SOURCE3 2 0.0000 0.0000
|
|
|
834 c -c -o 66.8 122.34 SOURCE3 24 2.7100 3.2125
|
|
|
835 c -c -oh 68.2 113.23 SOURCE3 5 0.4643 0.5615
|
|
|
836 c1-c -c1 65.1 115.32 SOURCE0 1
|
|
|
837 c1-c -o 69.9 122.34 SOURCE0 1
|
|
|
838 c2-c -c2 67.2 116.78 SOURCE0 1
|
|
|
839 c2-c -ha 48.6 115.95 SOURCE0 1
|
|
|
840 c2-c -o 72.8 119.12 SOURCE3 2 0.0000 0.0000
|
|
|
841 c2-c -s 64.7 119.16 SOURCE3 2 0.0000 0.0000
|
|
|
842 c3-c -c3 62.8 116.05 SOURCE3 11 0.9292 1.0986
|
|
|
843 c3-c -ca 62.3 119.53 SOURCE3 3 0.4442 0.4712
|
|
|
844 c3-c -cc 67.2 104.51 SOURCE3 1 0.0000 0.0000
|
|
|
845 c3-c -cd 67.2 104.51 SOURCE3 1 same as c3-c -cc
|
|
|
846 c3-c -ce 63.2 117.28 SOURCE3 2 0.7766 0.7766
|
|
|
847 c3-c -cf 63.2 117.28 SOURCE3 2 same as c3-c -ce
|
|
|
848 c3-c -cg 64.3 115.00 SOURCE2 1 0.0000 0.0000
|
|
|
849 c3-c -ch 64.3 115.00 SOURCE2 1 same as c3-c -cg
|
|
|
850 c3-c -cl 58.2 111.99 SOURCE3 2 0.0125 0.0125
|
|
|
851 c3-c -f 66.9 110.70 SOURCE2 1 0.0000 0.0000
|
|
|
852 c3-c -ha 46.0 115.22 SOURCE3 15 0.2737 0.3181
|
|
|
853 c3-c -i 56.9 112.94 SOURCE3 1 0.0000 0.0000
|
|
|
854 c3-c -n 67.9 115.15 SOURCE3 153 1.9677 2.7443
|
|
|
855 c3-c -n2 66.6 114.53 SOURCE0 1
|
|
|
856 c3-c -n4 64.6 112.26 SOURCE3 2 0.0000 0.0000
|
|
|
857 c3-c -ne 67.2 113.38 SOURCE3 1 0.0000 0.0000
|
|
|
858 c3-c -nf 67.2 113.38 SOURCE3 1 same as c3-c -ne
|
|
|
859 c3-c -nh 68.2 113.58 SOURCE0 1
|
|
|
860 c3-c -o 68.0 123.11 SOURCE3 267 2.2483 3.0977
|
|
|
861 c3-c -oh 69.8 112.20 SOURCE3 14 1.4815 1.8324
|
|
|
862 c3-c -os 69.3 111.96 SOURCE3 15 1.8520 2.3072
|
|
|
863 c3-c -p3 74.5 116.42 SOURCE3 3 0.1217 0.1291
|
|
|
864 c3-c -p5 74.2 118.90 SOURCE0 1
|
|
|
865 c3-c -pe 74.2 114.85 SOURCE3 1 0.0000 0.0000
|
|
|
866 c3-c -pf 74.2 114.85 SOURCE3 1 same as c3-c -pe
|
|
|
867 c3-c -px 74.2 115.60 SOURCE3 1 0.0000 0.0000
|
|
|
868 c3-c -py 74.5 118.16 SOURCE3 3 1.0121 1.0735
|
|
|
869 c3-c -s 62.0 123.73 SOURCE3 9 1.2078 1.4528
|
|
|
870 c3-c -s4 59.6 114.79 SOURCE0 1
|
|
|
871 c3-c -s6 59.7 114.72 SOURCE0 1
|
|
|
872 c3-c -sh 62.0 114.21 SOURCE3 3 2.0662 2.3916
|
|
|
873 c3-c -ss 62.4 114.32 SOURCE3 5 2.0411 2.7478
|
|
|
874 c3-c -sx 59.5 113.97 SOURCE3 3 0.0575 0.0610
|
|
|
875 c3-c -sy 59.9 114.28 SOURCE3 3 0.6921 0.7341
|
|
|
876 ca-c -ca 62.8 119.53 SOURCE3 1 0.0000 0.0000
|
|
|
877 ca-c -cc 64.8 114.09 SOURCE3 2 0.0000 0.0000
|
|
|
878 ca-c -cd 64.8 114.09 SOURCE3 2 0.0000 0.0000
|
|
|
879 ca-c -ha 46.8 114.12 SOURCE3 1 0.0000 0.0000
|
|
|
880 ca-c -n 69.4 112.03 SOURCE3 3 5.1757 5.5118
|
|
|
881 ca-c -o 68.7 123.44 SOURCE3 18 2.1221 2.5574
|
|
|
882 ca-c -oh 69.5 115.46 SOURCE3 3 1.8325 2.0619
|
|
|
883 ca-c -os 68.8 115.54 SOURCE3 5 2.1366 2.6708
|
|
|
884 ca-c -s 62.2 124.28 SOURCE3 2 2.3863 2.3863
|
|
|
885 ca-c -sh 61.1 118.63 SOURCE3 1 0.0000 0.0000
|
|
|
886 cc-c -cc 65.3 114.45 SOURCE3 7 5.3959 6.2434
|
|
|
887 cd-c -cd 65.3 114.45 SOURCE3 7 5.3959 6.2434
|
|
|
888 cc-c -cd 65.7 112.79 SOURCE3 1 0.0000 0.0000
|
|
|
889 cc-c -n 70.2 111.86 SOURCE3 36 1.6194 2.3407
|
|
|
890 cd-c -n 70.2 111.86 SOURCE3 36 1.6194 2.3407
|
|
|
891 cc-c -o 68.9 125.71 SOURCE3 66 1.9961 2.4784
|
|
|
892 cd-c -o 68.9 125.71 SOURCE3 66 1.9961 2.4784
|
|
|
893 cc-c -os 70.5 112.30 SOURCE3 6 2.3802 2.7842
|
|
|
894 cd-c -os 70.5 112.30 SOURCE3 6 2.3802 2.7842
|
|
|
895 cd-c -oh 71.5 111.59 SOURCE3 1 0.0000 0.0000
|
|
|
896 cc-c -oh 71.5 111.59 SOURCE3 1 same as cd-c -oh
|
|
|
897 ce-c -ce 64.1 116.78 SOURCE3 1 0.0000 0.0000
|
|
|
898 cf-c -cf 64.1 116.78 SOURCE3 1 same as ce-c -ce
|
|
|
899 ce-c -ha 46.9 115.22 SOURCE3 7 1.6044 2.4188
|
|
|
900 cf-c -ha 46.9 115.22 SOURCE3 7 same as ce-c -ha
|
|
|
901 ce-c -n 68.9 115.01 SOURCE3 2 0.5478 0.5478
|
|
|
902 cf-c -n 68.9 115.01 SOURCE3 2 same as ce-c -n
|
|
|
903 ce-c -o 69.3 122.92 SOURCE3 17 2.3941 3.5085
|
|
|
904 cf-c -o 69.3 122.92 SOURCE3 17 2.3941 3.5085
|
|
|
905 ce-c -oh 70.8 112.41 SOURCE3 3 0.3261 0.3261
|
|
|
906 cf-c -oh 70.8 112.41 SOURCE3 3 0.3261 0.3261
|
|
|
907 ce-c -s 64.1 117.80 SOURCE3 1 0.0000 0.0000
|
|
|
908 cf-c -s 64.1 117.80 SOURCE3 1 same as ce-c -s
|
|
|
909 cg-c -cg 65.4 115.38 SOURCE3 1 0.0000 0.0000
|
|
|
910 ch-c -ch 65.4 115.38 SOURCE3 1 same as cg-c -cg
|
|
|
911 cg-c -ha 47.8 113.90 SOURCE2 1 0.0000 0.0000
|
|
|
912 ch-c -ha 47.8 113.90 SOURCE2 1 same as cg-c -ha
|
|
|
913 cg-c -o 70.2 122.31 SOURCE3 2 0.0000 0.0000
|
|
|
914 ch-c -o 70.2 122.31 SOURCE3 2 same as cg-c -o
|
|
|
915 cl-c -cl 54.8 111.30 SOURCE2 1 0.0000 0.0000
|
|
|
916 cl-c -f 59.0 112.00 SOURCE2 1 0.0000 0.0000
|
|
|
917 cl-c -ha 40.4 109.90 SOURCE2 1 0.0000 0.0000
|
|
|
918 cl-c -o 59.8 121.51 SOURCE3 6 1.5810 1.6987
|
|
|
919 cl-c -s 56.7 127.60 SOURCE2 1 0.0000 0.0000
|
|
|
920 cx-c -cx 85.4 64.60 SOURCE2 1 0.0000 0.0000
|
|
|
921 cy-c -cy 70.1 90.55 SOURCE2 2 2.4500 2.4500
|
|
|
922 cy-c -o 64.1 135.74 SOURCE3 4 2.0890 2.0890
|
|
|
923 cy-c -os 74.8 94.37 SOURCE3 2 0.0000 0.0000
|
|
|
924 f -c -f 72.2 107.35 SOURCE2 2 0.2500 0.2500
|
|
|
925 f -c -h 51.5 109.90 SOURCE2 1 0.0000 0.0000
|
|
|
926 f -c -o 73.2 123.44 SOURCE0 1
|
|
|
927 f -c -s 63.4 124.00 SOURCE2 1 0.0000 0.0000
|
|
|
928 h -c -o 53.1 127.30 SOURCE2 1 0.0000 0.0000
|
|
|
929 ha-c -ha 37.9 115.61 SOURCE3 4 0.0329 0.0458
|
|
|
930 ha-c -i 36.7 110.58 SOURCE3 1 0.0000 0.0000
|
|
|
931 ha-c -n 52.4 112.37 SOURCE3 4 0.5562 0.6424
|
|
|
932 ha-c -o 54.3 121.94 SOURCE3 51 1.7337 2.3235
|
|
|
933 ha-c -oh 54.0 111.82 SOURCE3 4 1.9074 1.9375
|
|
|
934 ha-c -os 53.2 110.34 SOURCE3 8 1.6046 1.9344
|
|
|
935 ha-c -s 44.3 119.56 SOURCE3 3 0.7139 0.7586
|
|
|
936 hc-c -hc 39.3 115.68 SOURCE0 1
|
|
|
937 hc-c -n 51.1 120.00 SOURCE0 1
|
|
|
938 hc-c -nh 52.5 112.70 SOURCE0 1
|
|
|
939 hc-c -o 55.4 120.00 SOURCE0 1
|
|
|
940 hc-c -oh 54.1 113.70 SOURCE0 1
|
|
|
941 hc-c -os 52.9 113.58 SOURCE0 1
|
|
|
942 i -c -i 59.8 116.45 SOURCE3 1 0.0000 0.0000
|
|
|
943 i -c -o 55.5 122.02 SOURCE3 4 1.0210 1.2961
|
|
|
944 n -c -n 75.4 111.70 SOURCE3 11 2.6976 3.1820
|
|
|
945 n -c -nc 73.0 116.84 SOURCE3 2 0.8166 0.8166
|
|
|
946 n -c -nd 73.0 116.84 SOURCE3 2 same as n -c -nc
|
|
|
947 n -c -o 75.8 122.03 SOURCE3 221 1.7197 2.3565
|
|
|
948 n -c -os 74.7 115.25 SOURCE3 1 0.0000 0.0000
|
|
|
949 n -c -s 65.7 123.88 SOURCE3 5 1.0157 1.2935
|
|
|
950 n -c -ss 67.7 107.69 SOURCE3 1 0.0000 0.0000
|
|
|
951 n2-c -n2 71.8 110.31 SOURCE0 1
|
|
|
952 n2-c -na 70.7 118.60 SOURCE0 1
|
|
|
953 n2-c -o 73.0 122.50 SOURCE0 1
|
|
|
954 n3-c -n3 72.4 112.98 SOURCE0 1
|
|
|
955 n3-c -o 74.1 122.26 SOURCE0 1
|
|
|
956 n4-c -n4 64.7 114.64 SOURCE3 1 0.0000 0.0000
|
|
|
957 n4-c -o 69.6 118.83 SOURCE3 4 3.8516 3.8516
|
|
|
958 na-c -na 73.2 115.40 SOURCE0 1
|
|
|
959 na-c -o 75.0 122.85 SOURCE0 1
|
|
|
960 nc-c -o 73.9 125.29 SOURCE3 2 0.9029 0.9029
|
|
|
961 nd-c -o 73.9 125.29 SOURCE3 2 same as nc-c -o
|
|
|
962 ne-c -ne 72.4 110.31 SOURCE3 1 0.0000 0.0000
|
|
|
963 nf-c -nf 72.4 110.31 SOURCE3 1 same as ne-c -ne
|
|
|
964 ne-c -o 72.8 124.39 SOURCE3 3 0.6099 0.6469
|
|
|
965 nf-c -o 72.8 124.39 SOURCE3 3 same as ne-c -o
|
|
|
966 nh-c -nh 75.2 110.98 SOURCE0 1
|
|
|
967 nh-c -o 74.8 124.62 SOURCE0 1
|
|
|
968 no-c -no 66.5 109.28 SOURCE0 1
|
|
|
969 no-c -o 68.0 125.36 SOURCE0 1
|
|
|
970 o -c -o 79.1 127.33 SOURCE3 14 3.9382 4.4102
|
|
|
971 o -c -oh 77.4 122.88 SOURCE3 33 1.6641 2.1896
|
|
|
972 o -c -os 76.2 122.43 SOURCE3 39 2.7251 3.2180
|
|
|
973 o -c -p2 75.7 123.10 SOURCE0 1
|
|
|
974 o -c -p3 77.1 120.79 SOURCE0 1
|
|
|
975 o -c -pe 75.2 123.02 SOURCE3 3 0.1324 0.1404
|
|
|
976 o -c -pf 75.2 123.02 SOURCE3 3 same as o -c -pe
|
|
|
977 o -c -px 76.7 119.10 SOURCE3 1 0.0000 0.0000
|
|
|
978 o -c -py 77.8 120.52 SOURCE3 6 4.7048 6.3825
|
|
|
979 o -c -s 68.2 120.44 SOURCE3 2 0.0000 0.0000
|
|
|
980 o -c -s4 61.2 121.15 SOURCE0 1
|
|
|
981 o -c -s6 61.7 119.45 SOURCE0 1
|
|
|
982 o -c -sh 64.2 121.41 SOURCE3 4 1.2105 1.4052
|
|
|
983 o -c -ss 64.6 122.29 SOURCE3 7 1.3372 1.9240
|
|
|
984 o -c -sx 60.7 121.15 SOURCE3 5 3.5627 3.6452
|
|
|
985 o -c -sy 61.9 119.32 SOURCE3 5 2.2318 2.4495
|
|
|
986 oh-c -oh 78.9 110.56 SOURCE3 2 0.5498 0.5498
|
|
|
987 oh-c -s 66.6 123.44 SOURCE3 1 0.0000 0.0000
|
|
|
988 os-c -os 77.8 107.49 SOURCE3 1 0.0000 0.0000
|
|
|
989 p2-c -p2 94.4 113.75 SOURCE0 1
|
|
|
990 p3-c -p3 93.5 118.04 SOURCE3 1 0.0000 0.0000
|
|
|
991 p3-c -py 107.5 90.08 SOURCE3 1 0.0000 0.0000
|
|
|
992 p5-c -p5 92.0 123.76 SOURCE0 1
|
|
|
993 pe-c -pe 93.9 113.77 SOURCE3 1 0.0000 0.0000
|
|
|
994 pf-c -pf 93.9 113.77 SOURCE3 1 same as pe-c -pe
|
|
|
995 py-c -py 92.1 123.80 SOURCE3 1 0.0000 0.0000
|
|
|
996 s -c -s 65.0 120.40 SOURCE3 2 1.2766 1.2766
|
|
|
997 s -c -sh 62.5 121.94 SOURCE3 2 2.5846 2.5846
|
|
|
998 s -c -ss 61.9 125.90 SOURCE3 1 0.0000 0.0000
|
|
|
999 s4-c -s4 61.3 108.81 SOURCE0 1
|
|
|
1000 s6-c -s6 59.4 115.75 SOURCE0 1
|
|
|
1001 sh-c -sh 62.5 115.33 SOURCE3 1 0.0000 0.0000
|
|
|
1002 ss-c -ss 63.8 113.00 SOURCE3 1 0.0000 0.0000
|
|
|
1003 sx-c -sx 60.8 108.80 SOURCE3 1 0.0000 0.0000
|
|
|
1004 sy-c -sy 59.5 115.78 SOURCE3 1 0.0000 0.0000
|
|
|
1005 br-c1-c1 54.9 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1006 c -c1-c1 56.3 180.00 SOURCE0 1
|
|
|
1007 c1-c1-c1 64.4 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1008 c1-c1-c2 60.8 180.00 SOURCE3 2 0.0000 0.0000
|
|
|
1009 c1-c1-c3 56.4 177.99 SOURCE3 4 1.0065 1.1721
|
|
|
1010 c1-c1-ca 56.9 180.00 SOURCE0 1
|
|
|
1011 c1-c1-cl 51.4 180.00 SOURCE0 1
|
|
|
1012 c1-c1-f 61.0 180.00 SOURCE0 1
|
|
|
1013 c1-c1-ha 44.8 178.38 SOURCE3 41 1.6952 2.0683
|
|
|
1014 c1-c1-hc 44.7 180.00 SOURCE0 1
|
|
|
1015 c1-c1-i 49.8 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1016 c1-c1-n 62.1 177.18 SOURCE3 1 0.0000 0.0000
|
|
|
1017 c1-c1-n1 67.2 180.00 SOURCE0 1
|
|
|
1018 c1-c1-n2 65.2 180.00 SOURCE0 1
|
|
|
1019 c1-c1-n3 59.8 180.00 SOURCE0 1
|
|
|
1020 c1-c1-n4 59.1 179.56 SOURCE3 3 0.2919 0.3096
|
|
|
1021 c1-c1-na 61.2 176.75 SOURCE3 8 2.6227 2.9328
|
|
|
1022 c1-c1-nh 61.1 179.27 SOURCE3 3 0.2222 0.2357
|
|
|
1023 c1-c1-no 59.4 180.00 SOURCE3 3 0.0000 0.0000
|
|
|
1024 c1-c1-o 66.8 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1025 c1-c1-oh 62.7 176.65 SOURCE3 1 0.0000 0.0000
|
|
|
1026 c1-c1-os 62.8 176.42 SOURCE3 2 0.0000 0.0000
|
|
|
1027 c1-c1-p2 65.2 180.00 SOURCE0 1
|
|
|
1028 c1-c1-p3 66.4 169.63 SOURCE3 2 0.0000 0.0000
|
|
|
1029 c1-c1-p4 64.5 180.00 SOURCE0 1
|
|
|
1030 c1-c1-p5 66.5 176.17 SOURCE3 2 0.0000 0.0000
|
|
|
1031 c1-c1-s 55.7 179.97 SOURCE3 1 0.0000 0.0000
|
|
|
1032 c1-c1-s4 54.1 167.47 SOURCE3 2 0.0000 0.0000
|
|
|
1033 c1-c1-s6 53.7 174.38 SOURCE3 2 0.0000 0.0000
|
|
|
1034 c1-c1-sh 54.1 180.00 SOURCE0 1
|
|
|
1035 c1-c1-ss 55.2 173.22 SOURCE3 2 0.0000 0.0000
|
|
|
1036 c2-c1-c2 58.2 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1037 c2-c1-o 63.1 179.50 SOURCE2 1 0.0000 0.0000
|
|
|
1038 c2-c1-s2 56.7 172.98 SOURCE3 1 0.0000 0.0000
|
|
|
1039 c3-c1-n1 58.3 177.57 SOURCE2 3 2.3778 2.5773
|
|
|
1040 cg-c1-ha 44.0 177.41 SOURCE3 22 2.3752 2.4947
|
|
|
1041 ch-c1-ha 44.0 177.41 SOURCE3 22 same as cg-c1-ha
|
|
|
1042 n1-c1-n1 93.2 102.01 SOURCE0 1
|
|
|
1043 n1-c1-n3 63.7 169.70 SOURCE2 1 0.0000 0.0000
|
|
|
1044 n1-c1-os 64.7 178.59 SOURCE3 1 0.0000 0.0000
|
|
|
1045 n1-c1-p3 67.7 171.20 SOURCE2 1 0.0000 0.0000
|
|
|
1046 n1-c1-ss 55.8 178.68 SOURCE3 1 0.0000 0.0000
|
|
|
1047 n2-c1-o 69.1 171.79 SOURCE3 2 0.3594 0.3594
|
|
|
1048 n2-c1-s 57.8 174.05 SOURCE3 2 0.1358 0.1358
|
|
|
1049 ne-c1-o 68.7 172.33 SOURCE3 1 0.0000 0.0000
|
|
|
1050 nf-c1-o 68.7 172.33 SOURCE3 1 same as ne-c1-o
|
|
|
1051 br-c2-br 68.6 115.06 SOURCE3 1 0.0000 0.0000
|
|
|
1052 br-c2-c2 63.1 122.42 SOURCE3 3 0.0663 0.0703
|
|
|
1053 br-c2-ha 43.2 113.28 SOURCE3 1 0.0000 0.0000
|
|
|
1054 c -c2-c 66.6 118.88 SOURCE0 1
|
|
|
1055 c -c2-c2 67.9 120.70 SOURCE0 1
|
|
|
1056 c -c2-c3 63.9 119.70 SOURCE0 1
|
|
|
1057 c -c2-ha 47.7 121.33 SOURCE3 4 0.2462 0.2462
|
|
|
1058 c -c2-hc 48.0 119.70 SOURCE0 1
|
|
|
1059 c1-c2-c1 72.3 116.77 SOURCE0 1
|
|
|
1060 c1-c2-c2 70.3 121.62 SOURCE0 1
|
|
|
1061 c1-c2-c3 65.1 121.60 SOURCE2 2 1.0000 1.0000
|
|
|
1062 c1-c2-f 68.0 124.90 SOURCE2 1 0.0000 0.0000
|
|
|
1063 c1-c2-ha 50.4 121.37 SOURCE3 8 0.0055 0.0055
|
|
|
1064 c2-c2-c2 69.8 121.81 SOURCE3 10 0.3648 0.3843
|
|
|
1065 c2-c2-c3 64.3 123.42 SOURCE3 41 1.8126 2.6057
|
|
|
1066 c2-c2-ca 66.9 117.00 SOURCE0 1
|
|
|
1067 c2-c2-cc 70.2 117.21 SOURCE3 2 0.3418 0.3418
|
|
|
1068 c2-c2-cd 70.2 117.21 SOURCE3 2 same as c2-c2-cc
|
|
|
1069 c2-c2-cl 58.4 122.79 SOURCE3 3 0.2303 0.2442
|
|
|
1070 c2-c2-cx 69.7 105.70 SOURCE2 1 0.0000 0.0000
|
|
|
1071 c2-c2-cy 69.7 103.30 SOURCE2 1 0.0000 0.0000
|
|
|
1072 c2-c2-f 67.8 124.01 SOURCE3 3 1.3603 1.4428
|
|
|
1073 c2-c2-h4 49.3 124.68 SOURCE3 39 3.2023 3.8280
|
|
|
1074 c2-c2-ha 50.0 120.94 SOURCE3 254 0.8639 1.3150
|
|
|
1075 c2-c2-hc 50.3 119.70 SOURCE0 1
|
|
|
1076 c2-c2-hx 49.0 126.45 SOURCE3 3 0.0207 0.0219
|
|
|
1077 c2-c2-i 56.3 121.03 SOURCE3 2 0.0000 0.0000
|
|
|
1078 c2-c2-n 68.8 123.45 SOURCE3 7 3.0021 4.5840
|
|
|
1079 c2-c2-n2 71.3 126.01 SOURCE3 1 0.0000 0.0000
|
|
|
1080 c2-c2-n3 70.3 124.55 SOURCE0 1
|
|
|
1081 c2-c2-n4 67.2 121.52 SOURCE3 5 1.2100 1.2656
|
|
|
1082 c2-c2-na 69.8 121.38 SOURCE3 26 5.2386 6.9463
|
|
|
1083 c2-c2-nh 69.8 124.99 SOURCE3 7 0.8702 0.9929
|
|
|
1084 c2-c2-no 67.6 121.89 SOURCE3 4 1.1592 1.1594
|
|
|
1085 c2-c2-o 71.0 130.89 SOURCE3 2 0.0201 0.0201
|
|
|
1086 c2-c2-oh 71.6 122.28 SOURCE3 4 0.5600 0.5600
|
|
|
1087 c2-c2-os 71.2 121.43 SOURCE3 26 4.0372 5.2559
|
|
|
1088 c2-c2-p2 84.7 115.10 SOURCE0 1
|
|
|
1089 c2-c2-p3 75.2 124.83 SOURCE3 5 2.0793 2.1222
|
|
|
1090 c2-c2-p4 77.2 119.76 SOURCE0 1
|
|
|
1091 c2-c2-p5 75.4 125.97 SOURCE0 1
|
|
|
1092 c2-c2-s 61.3 129.37 SOURCE3 2 0.0000 0.0000
|
|
|
1093 c2-c2-s4 62.9 119.84 SOURCE0 1
|
|
|
1094 c2-c2-s6 62.8 120.01 SOURCE0 1
|
|
|
1095 c2-c2-sh 61.0 125.70 SOURCE3 3 1.2624 1.3390
|
|
|
1096 c2-c2-ss 63.9 118.62 SOURCE3 18 3.5098 4.5127
|
|
|
1097 c3-c2-c3 62.7 116.52 SOURCE3 15 2.1251 3.1001
|
|
|
1098 c3-c2-cc 63.2 125.64 SOURCE3 1 0.0000 0.0000
|
|
|
1099 c3-c2-cd 63.2 125.64 SOURCE3 1 same as c3-c2-cc
|
|
|
1100 c3-c2-ce 65.7 117.40 SOURCE2 2 8.2000 8.2000
|
|
|
1101 c3-c2-cf 65.7 117.40 SOURCE2 2 same as c3-c2-ce
|
|
|
1102 c3-c2-h4 43.8 127.53 SOURCE3 1 0.0000 0.0000
|
|
|
1103 c3-c2-ha 45.7 117.30 SOURCE3 33 1.4120 1.7453
|
|
|
1104 c3-c2-hc 45.1 120.00 SOURCE0 1
|
|
|
1105 c3-c2-n2 67.1 121.24 SOURCE3 10 3.4840 4.3825
|
|
|
1106 c3-c2-na 65.0 122.54 SOURCE3 1 0.0000 0.0000
|
|
|
1107 c3-c2-ne 67.0 122.15 SOURCE3 4 0.2197 0.2197
|
|
|
1108 c3-c2-nf 67.0 122.15 SOURCE3 4 same as c3-c2-ne
|
|
|
1109 c3-c2-nh 66.7 118.59 SOURCE3 6 1.7963 2.2622
|
|
|
1110 c3-c2-o 69.1 116.88 SOURCE3 2 0.0663 0.0663
|
|
|
1111 c3-c2-oh 67.4 118.81 SOURCE3 3 0.1564 0.1659
|
|
|
1112 c3-c2-p2 79.0 122.74 SOURCE3 2 0.0000 0.0000
|
|
|
1113 c3-c2-s 62.8 115.44 SOURCE3 2 0.0115 0.0115
|
|
|
1114 ca-c2-ca 63.5 117.88 SOURCE0 1
|
|
|
1115 ca-c2-hc 45.3 123.30 SOURCE0 1
|
|
|
1116 cc-c2-ha 49.1 120.76 SOURCE3 11 0.8455 1.4155
|
|
|
1117 cd-c2-ha 49.1 120.76 SOURCE3 11 0.8455 1.4155
|
|
|
1118 ce-c2-ha 49.6 121.19 SOURCE3 122 0.4300 0.5318
|
|
|
1119 cf-c2-ha 49.6 121.19 SOURCE3 122 same as ce-c2-ha
|
|
|
1120 cl-c2-cl 55.3 114.77 SOURCE3 1 0.0000 0.0000
|
|
|
1121 cl-c2-ha 40.9 113.20 SOURCE3 1 0.0000 0.0000
|
|
|
1122 cx-c2-ha 44.3 125.40 SOURCE2 1 0.0000 0.0000
|
|
|
1123 f -c2-f 70.7 109.60 SOURCE2 2 0.6000 0.6000
|
|
|
1124 f -c2-ha 51.3 110.00 SOURCE2 1 0.0000 0.0000
|
|
|
1125 h4-c2-n 49.2 119.41 SOURCE3 1 0.0000 0.0000
|
|
|
1126 h4-c2-n2 53.3 116.67 SOURCE3 2 2.4512 2.4512
|
|
|
1127 h4-c2-na 50.4 116.25 SOURCE3 15 3.1414 3.7439
|
|
|
1128 h4-c2-os 52.2 113.70 SOURCE3 13 1.8718 2.0464
|
|
|
1129 h4-c2-ss 42.8 118.47 SOURCE3 9 2.2828 2.5335
|
|
|
1130 h5-c2-n2 52.0 123.09 SOURCE3 2 0.0000 0.0000
|
|
|
1131 h5-c2-na 48.3 126.39 SOURCE3 4 0.3299 0.3299
|
|
|
1132 ha-c2-ha 38.0 117.65 SOURCE3 349 1.0413 1.3426
|
|
|
1133 ha-c2-n 50.5 113.40 SOURCE3 4 0.9474 1.2182
|
|
|
1134 ha-c2-n1 51.8 120.76 SOURCE3 8 0.6630 0.6632
|
|
|
1135 ha-c2-n2 52.4 120.54 SOURCE3 92 0.8283 1.4571
|
|
|
1136 ha-c2-n3 52.4 113.54 SOURCE0 1
|
|
|
1137 ha-c2-na 51.2 112.42 SOURCE3 8 0.5805 0.6507
|
|
|
1138 ha-c2-ne 52.5 121.18 SOURCE3 68 0.5649 0.6824
|
|
|
1139 ha-c2-nf 52.5 121.18 SOURCE3 68 same as ha-c2-ne
|
|
|
1140 ha-c2-nh 51.3 116.68 SOURCE3 13 2.3477 2.5734
|
|
|
1141 ha-c2-no 49.1 112.14 SOURCE3 2 0.0264 0.0264
|
|
|
1142 ha-c2-o 54.2 117.23 SOURCE3 2 0.0201 0.0201
|
|
|
1143 ha-c2-oh 52.3 116.18 SOURCE3 2 0.0000 0.0000
|
|
|
1144 ha-c2-os 52.4 112.69 SOURCE3 13 2.2236 2.5851
|
|
|
1145 ha-c2-p2 55.7 121.48 SOURCE3 122 0.3598 0.4329
|
|
|
1146 ha-c2-p3 52.0 114.31 SOURCE3 3 0.0000 0.0000
|
|
|
1147 ha-c2-p4 51.6 117.86 SOURCE0 1
|
|
|
1148 ha-c2-p5 51.2 120.10 SOURCE3 2 0.0000 0.0000
|
|
|
1149 ha-c2-pe 55.0 121.46 SOURCE3 104 0.5185 0.7821
|
|
|
1150 ha-c2-pf 55.0 121.46 SOURCE3 104 same as ha-c2-pe
|
|
|
1151 ha-c2-s 43.4 115.70 SOURCE3 2 0.0000 0.0000
|
|
|
1152 ha-c2-s2 46.2 118.74 SOURCE3 2 0.0000 0.0000
|
|
|
1153 ha-c2-s4 42.8 115.30 SOURCE3 2 0.0000 0.0000
|
|
|
1154 ha-c2-s6 42.6 116.60 SOURCE3 2 0.0000 0.0000
|
|
|
1155 ha-c2-sh 43.2 111.74 SOURCE3 1 0.0000 0.0000
|
|
|
1156 ha-c2-ss 43.2 116.72 SOURCE3 7 2.0736 2.7543
|
|
|
1157 hc-c2-hc 37.8 118.92 SOURCE0 1
|
|
|
1158 hc-c2-n 50.3 114.04 SOURCE0 1
|
|
|
1159 hc-c2-n2 52.4 120.40 SOURCE0 1
|
|
|
1160 hc-c2-na 49.7 119.10 SOURCE0 1
|
|
|
1161 hc-c2-nh 52.0 113.36 SOURCE0 1
|
|
|
1162 hc-c2-no 49.1 112.12 SOURCE0 1
|
|
|
1163 hc-c2-oh 52.3 116.22 SOURCE0 1
|
|
|
1164 hc-c2-os 51.7 116.11 SOURCE0 1
|
|
|
1165 hc-c2-p3 51.4 117.19 SOURCE0 1
|
|
|
1166 hc-c2-p5 51.3 119.58 SOURCE0 1
|
|
|
1167 hc-c2-s4 42.7 116.12 SOURCE0 1
|
|
|
1168 hc-c2-s6 42.8 115.45 SOURCE0 1
|
|
|
1169 hc-c2-sh 42.4 115.63 SOURCE0 1
|
|
|
1170 hc-c2-ss 43.4 115.62 SOURCE0 1
|
|
|
1171 hn-c2-n4 11.9 112.74 SOURCE0 1
|
|
|
1172 hx-c2-n4 48.4 113.03 SOURCE3 3 0.3651 0.3873
|
|
|
1173 i -c2-i 61.0 117.94 SOURCE3 1 0.0000 0.0000
|
|
|
1174 n -c2-n 71.5 113.23 SOURCE3 1 0.0000 0.0000
|
|
|
1175 n -c2-n2 70.6 125.95 SOURCE3 2 5.0202 5.0202
|
|
|
1176 n -c2-na 74.6 105.42 SOURCE3 1 0.0000 0.0000
|
|
|
1177 n -c2-ss 67.4 109.31 SOURCE3 1 0.0000 0.0000
|
|
|
1178 n2-c2-n2 78.0 113.82 SOURCE3 1 0.0000 0.0000
|
|
|
1179 n2-c2-na 71.7 123.62 SOURCE3 1 0.0000 0.0000
|
|
|
1180 n2-c2-nh 72.6 124.27 SOURCE3 12 1.4852 2.4114
|
|
|
1181 n2-c2-oh 74.4 122.08 SOURCE3 1 0.0000 0.0000
|
|
|
1182 n2-c2-os 74.6 118.96 SOURCE3 2 1.1624 1.1624
|
|
|
1183 n2-c2-ss 62.9 129.77 SOURCE3 1 0.0000 0.0000
|
|
|
1184 n3-c2-n3 73.4 118.47 SOURCE0 1
|
|
|
1185 n4-c2-n4 67.7 113.93 SOURCE3 1 0.0000 0.0000
|
|
|
1186 na-c2-na 73.7 109.33 SOURCE3 3 2.8004 3.0187
|
|
|
1187 ne-c2-nh 73.3 122.72 SOURCE3 2 0.0000 0.0000
|
|
|
1188 nf-c2-nh 73.3 122.72 SOURCE3 2 same as ne-c2-nh
|
|
|
1189 nh-c2-nh 72.9 117.50 SOURCE3 18 4.1761 4.7058
|
|
|
1190 no-c2-no 68.6 113.90 SOURCE3 1 0.0000 0.0000
|
|
|
1191 o -c2-o 77.9 121.69 SOURCE0 1
|
|
|
1192 o -c2-s 64.0 127.68 SOURCE3 2 0.0547 0.0547
|
|
|
1193 oh-c2-oh 76.0 114.33 SOURCE3 1 0.0000 0.0000
|
|
|
1194 os-c2-os 74.2 115.80 SOURCE3 1 0.0000 0.0000
|
|
|
1195 p2-c2-p2 100.6 129.80 SOURCE0 1
|
|
|
1196 p3-c2-p3 97.1 115.54 SOURCE3 1 0.0000 0.0000
|
|
|
1197 p5-c2-p5 95.3 121.85 SOURCE0 1
|
|
|
1198 s -c2-s 62.5 121.67 SOURCE0 1
|
|
|
1199 s4-c2-s4 61.9 120.32 SOURCE0 1
|
|
|
1200 s4-c2-s6 62.0 119.95 SOURCE0 1
|
|
|
1201 s6-c2-s6 62.0 119.97 SOURCE0 1
|
|
|
1202 sh-c2-sh 64.1 110.48 SOURCE3 1 0.0000 0.0000
|
|
|
1203 sh-c2-ss 62.7 117.82 SOURCE0 1
|
|
|
1204 ss-c2-ss 62.8 120.24 SOURCE3 1 0.0000 0.0000
|
|
|
1205 br-c3-br 66.6 111.75 SOURCE2 2 0.9500 0.9500
|
|
|
1206 br-c3-c1 62.8 111.80 SOURCE2 3 0.2000 0.2160
|
|
|
1207 br-c3-c3 63.0 109.25 SOURCE3 10 0.5567 0.5685
|
|
|
1208 br-c3-h1 43.1 103.04 SOURCE3 5 0.2592 0.3092
|
|
|
1209 br-c3-hc 42.4 106.50 SOURCE0 1
|
|
|
1210 c -c3-c 63.7 112.95 SOURCE3 3 2.9833 3.2539
|
|
|
1211 c -c3-c2 64.6 109.73 SOURCE3 3 5.3858 5.7300
|
|
|
1212 c -c3-c3 63.8 110.53 SOURCE3 62 1.7223 1.9636
|
|
|
1213 c -c3-ca 64.1 111.23 SOURCE3 2 0.0000 0.0000
|
|
|
1214 c -c3-h1 47.6 107.66 SOURCE3 66 1.2143 1.4015
|
|
|
1215 c -c3-hc 47.2 109.68 SOURCE3 614 0.4058 0.6426
|
|
|
1216 c -c3-hx 47.4 108.64 SOURCE3 1 0.0000 0.0000
|
|
|
1217 c -c3-n 66.7 111.56 SOURCE3 28 0.7771 1.7981
|
|
|
1218 c -c3-n3 65.8 113.91 SOURCE3 2 0.0000 0.0000
|
|
|
1219 c -c3-n4 65.8 111.54 SOURCE3 1 0.0000 0.0000
|
|
|
1220 c -c3-na 68.6 105.72 SOURCE3 2 2.6464 2.6464
|
|
|
1221 c -c3-oh 68.4 109.46 SOURCE3 2 1.1805 1.1805
|
|
|
1222 c -c3-os 68.0 109.82 SOURCE3 10 1.4728 2.0612
|
|
|
1223 c -c3-ss 61.7 111.58 SOURCE3 5 1.4553 1.9506
|
|
|
1224 c1-c3-c1 66.5 109.00 SOURCE2 1 0.0000 0.0000
|
|
|
1225 c1-c3-c3 64.2 111.59 SOURCE0 1
|
|
|
1226 c1-c3-cl 58.5 110.63 SOURCE2 3 1.1556 1.2257
|
|
|
1227 c1-c3-h1 49.1 105.97 SOURCE3 2 0.4303 0.4303
|
|
|
1228 c1-c3-hc 48.3 109.75 SOURCE3 12 0.7064 0.8436
|
|
|
1229 c1-c3-os 68.1 112.83 SOURCE3 2 0.4762 0.4762
|
|
|
1230 c2-c3-c2 64.6 109.71 SOURCE0 1
|
|
|
1231 c2-c3-c3 63.7 110.96 SOURCE3 12 2.5022 3.2903
|
|
|
1232 c2-c3-f 66.4 111.30 SOURCE2 2 0.4000 0.4000
|
|
|
1233 c2-c3-h1 47.0 110.46 SOURCE3 17 1.0324 1.1525
|
|
|
1234 c2-c3-hc 47.0 110.49 SOURCE3 159 0.5121 0.7479
|
|
|
1235 c2-c3-n3 66.5 111.47 SOURCE3 3 2.1065 2.2409
|
|
|
1236 c2-c3-oh 68.3 109.72 SOURCE3 2 1.8365 1.8365
|
|
|
1237 c2-c3-os 68.3 108.88 SOURCE3 2 1.3604 1.3604
|
|
|
1238 c2-c3-ss 63.6 104.97 SOURCE3 2 2.2248 2.2248
|
|
|
1239 c3-c3-c3 63.2 110.63 SOURCE3 507 1.7605 2.7845
|
|
|
1240 c3-c3-ca 62.5 114.61 SOURCE3 8 2.6906 2.7907
|
|
|
1241 c3-c3-cc 64.7 108.10 SOURCE3 5 4.5525 4.8691
|
|
|
1242 c3-c3-cd 64.7 108.10 SOURCE3 5 same as c3-c3-cc
|
|
|
1243 c3-c3-cl 57.8 110.33 SOURCE3 20 0.9282 1.1495
|
|
|
1244 c3-c3-cx 65.6 104.10 SOURCE3 2 0.0000 0.0000
|
|
|
1245 c3-c3-cy 63.6 109.62 SOURCE3 5 1.6598 2.0747
|
|
|
1246 c3-c3-f 66.2 109.41 SOURCE3 18 0.9661 1.1878
|
|
|
1247 c3-c3-h1 46.4 110.07 SOURCE3 457 0.9255 1.1542
|
|
|
1248 c3-c3-h2 46.0 111.59 SOURCE3 8 0.7200 1.1217
|
|
|
1249 c3-c3-hc 46.4 110.05 SOURCE3 2092 0.5379 0.6991
|
|
|
1250 c3-c3-hx 46.0 111.74 SOURCE3 15 1.0925 1.2365
|
|
|
1251 c3-c3-i 58.5 110.96 SOURCE3 2 0.0000 0.0000
|
|
|
1252 c3-c3-n 65.9 112.13 SOURCE3 31 1.0775 2.0700
|
|
|
1253 c3-c3-n2 66.4 109.16 SOURCE3 8 1.3147 1.4079
|
|
|
1254 c3-c3-n3 66.2 110.38 SOURCE3 69 2.0699 2.9054
|
|
|
1255 c3-c3-n4 66.0 108.93 SOURCE3 11 2.7418 3.0139
|
|
|
1256 c3-c3-na 65.8 112.59 SOURCE3 4 2.2797 2.6730
|
|
|
1257 c3-c3-nh 66.6 109.78 SOURCE3 2 0.0333 0.0333
|
|
|
1258 c3-c3-oh 67.7 109.43 SOURCE3 48 0.9661 1.5023
|
|
|
1259 c3-c3-os 67.8 108.42 SOURCE3 122 1.0750 1.6759
|
|
|
1260 c3-c3-p5 77.0 114.24 SOURCE3 4 2.0849 2.5420
|
|
|
1261 c3-c3-s6 62.4 111.90 SOURCE3 2 1.7244 1.7244
|
|
|
1262 c3-c3-sh 61.5 111.09 SOURCE3 4 2.8882 2.8907
|
|
|
1263 c3-c3-ss 61.1 112.69 SOURCE3 24 2.0616 2.1842
|
|
|
1264 ca-c3-ca 63.6 112.47 SOURCE3 3 0.4951 0.5285
|
|
|
1265 ca-c3-cc 65.2 108.08 SOURCE3 8 3.1217 4.1083
|
|
|
1266 ca-c3-cd 65.2 108.08 SOURCE3 8 same as ca-c3-cc
|
|
|
1267 ca-c3-h1 46.8 110.95 SOURCE3 12 0.8880 1.1170
|
|
|
1268 ca-c3-hc 47.0 110.15 SOURCE3 47 1.1349 1.2602
|
|
|
1269 ca-c3-n2 66.0 112.10 SOURCE3 1 0.0000 0.0000
|
|
|
1270 ca-c3-nc 68.2 106.51 SOURCE3 1 0.0000 0.0000
|
|
|
1271 ca-c3-nd 68.2 106.51 SOURCE3 1 same as ca-c3-nc
|
|
|
1272 ca-c3-oh 67.2 112.97 SOURCE3 1 0.0000 0.0000
|
|
|
1273 ca-c3-os 67.7 110.51 SOURCE3 4 3.2176 3.2176
|
|
|
1274 cc-c3-cc 65.5 107.99 SOURCE3 10 5.0855 5.1937
|
|
|
1275 cd-c3-cd 65.5 107.99 SOURCE3 10 5.0855 5.1937
|
|
|
1276 cc-c3-cd 67.3 102.35 SOURCE3 1 0.0000 0.0000
|
|
|
1277 cc-c3-h1 47.0 111.62 SOURCE3 20 0.7861 1.0215
|
|
|
1278 cd-c3-h1 47.0 111.62 SOURCE3 20 0.7861 1.0215
|
|
|
1279 cc-c3-hc 47.2 110.86 SOURCE3 85 0.8792 1.0276
|
|
|
1280 cd-c3-hc 47.2 110.86 SOURCE3 85 0.8792 1.0276
|
|
|
1281 cc-c3-nc 68.4 107.04 SOURCE3 2 0.0000 0.0000
|
|
|
1282 cd-c3-nd 68.4 107.04 SOURCE3 2 same as cc-c3-nc
|
|
|
1283 cc-c3-os 67.8 111.28 SOURCE3 7 2.5177 2.9265
|
|
|
1284 cd-c3-os 67.8 111.28 SOURCE3 7 same as cc-c3-os
|
|
|
1285 cd-c3-sh 61.1 114.02 SOURCE3 1 0.0000 0.0000
|
|
|
1286 cc-c3-sh 61.1 114.02 SOURCE3 1 same as cd-c3-sh
|
|
|
1287 ce-c3-hc 47.0 110.98 SOURCE3 27 0.1170 0.1559
|
|
|
1288 cf-c3-hc 47.0 110.98 SOURCE3 27 same as ce-c3-hc
|
|
|
1289 cl-c3-cl 54.2 111.03 SOURCE2 6 0.9889 1.1324
|
|
|
1290 cl-c3-f 59.0 109.60 SOURCE2 3 0.3333 0.3742
|
|
|
1291 cl-c3-h1 40.7 105.93 SOURCE3 19 0.9624 1.1883
|
|
|
1292 cl-c3-hc 40.3 107.65 SOURCE2 2 2.2500 2.2500
|
|
|
1293 cx-c3-hc 46.7 111.35 SOURCE3 4 0.0000 0.0000
|
|
|
1294 cy-c3-hc 46.5 110.17 SOURCE3 16 0.5607 0.5693
|
|
|
1295 f -c3-f 71.3 107.16 SOURCE2 10 0.9600 1.1324
|
|
|
1296 f -c3-h1 51.6 107.85 SOURCE3 14 0.8579 0.9537
|
|
|
1297 f -c3-h2 51.4 108.41 SOURCE3 6 0.4791 0.5081
|
|
|
1298 f -c3-hc 51.3 108.92 SOURCE2 5 2.4272 3.0534
|
|
|
1299 f -c3-n2 69.2 110.40 SOURCE2 3 2.3333 2.6470
|
|
|
1300 h1-c3-h1 39.2 109.55 SOURCE3 1888 0.8483 1.1205
|
|
|
1301 h1-c3-n 49.8 109.32 SOURCE3 91 0.8246 1.0325
|
|
|
1302 h1-c3-n2 49.3 109.61 SOURCE3 63 0.7888 1.0452
|
|
|
1303 h1-c3-n3 49.4 109.92 SOURCE3 313 0.8219 1.1810
|
|
|
1304 h1-c3-na 49.9 109.45 SOURCE3 53 0.7716 0.9555
|
|
|
1305 h1-c3-nc 50.1 108.57 SOURCE3 6 0.0720 0.0764
|
|
|
1306 h1-c3-nd 50.1 108.57 SOURCE3 6 same as h1-c3-nc
|
|
|
1307 h1-c3-nh 49.7 109.96 SOURCE3 70 0.4865 0.7000
|
|
|
1308 h1-c3-no 48.1 107.56 SOURCE3 3 0.0000 0.0000
|
|
|
1309 h1-c3-o 52.0 117.19 SOURCE3 6 0.0003 0.0003
|
|
|
1310 h1-c3-oh 51.0 109.88 SOURCE3 63 1.1555 1.3172
|
|
|
1311 h1-c3-os 50.8 108.82 SOURCE3 541 0.5769 0.8042
|
|
|
1312 h1-c3-s 41.2 112.60 SOURCE3 6 0.0026 0.0026
|
|
|
1313 h1-c3-s4 42.9 108.66 SOURCE3 201 0.2964 0.3834
|
|
|
1314 h1-c3-s6 43.9 108.11 SOURCE3 160 0.3521 0.5518
|
|
|
1315 h1-c3-sh 42.4 109.21 SOURCE3 22 1.0660 1.2028
|
|
|
1316 h1-c3-ss 42.4 109.34 SOURCE3 356 0.4558 0.6573
|
|
|
1317 h1-c3-sx 42.8 108.69 SOURCE3 90 0.2163 0.2749
|
|
|
1318 h1-c3-sy 43.7 108.09 SOURCE3 93 0.2266 0.2556
|
|
|
1319 h2-c3-h2 39.0 109.19 SOURCE3 29 1.8754 3.1352
|
|
|
1320 h2-c3-i 38.7 104.99 SOURCE3 2 0.0000 0.0000
|
|
|
1321 h2-c3-n 50.0 108.31 SOURCE3 4 0.0000 0.0000
|
|
|
1322 h2-c3-n2 49.1 110.22 SOURCE3 6 0.2011 0.2133
|
|
|
1323 h2-c3-n3 49.3 109.91 SOURCE3 4 0.0000 0.0000
|
|
|
1324 h2-c3-na 50.3 107.66 SOURCE3 6 1.2854 1.4096
|
|
|
1325 h2-c3-nc 49.8 109.47 SOURCE3 10 0.2445 0.3133
|
|
|
1326 h2-c3-nd 49.8 109.47 SOURCE3 10 same as h2-c3-nc
|
|
|
1327 h2-c3-nh 49.5 110.80 SOURCE3 4 0.0000 0.0000
|
|
|
1328 h2-c3-no 47.8 108.69 SOURCE3 4 0.0000 0.0000
|
|
|
1329 h2-c3-o 53.8 108.97 SOURCE3 4 0.0000 0.0000
|
|
|
1330 h2-c3-oh 51.3 108.30 SOURCE3 6 0.5117 0.5715
|
|
|
1331 h2-c3-os 50.8 108.58 SOURCE3 44 0.9621 1.2773
|
|
|
1332 h2-c3-s 42.3 106.75 SOURCE3 4 0.0000 0.0000
|
|
|
1333 h2-c3-s4 42.9 108.58 SOURCE3 8 0.2408 0.2408
|
|
|
1334 h2-c3-s6 43.8 108.42 SOURCE3 4 0.0000 0.0000
|
|
|
1335 h2-c3-sh 42.7 107.87 SOURCE3 6 0.4125 0.4376
|
|
|
1336 h2-c3-ss 42.3 109.75 SOURCE3 10 0.2525 0.3442
|
|
|
1337 h3-c3-n3 50.1 106.77 SOURCE3 1 0.0000 0.0000
|
|
|
1338 h3-c3-nc 49.9 109.37 SOURCE3 1 0.0000 0.0000
|
|
|
1339 h3-c3-nd 49.9 109.37 SOURCE3 1 same as h3-c3-nc
|
|
|
1340 h3-c3-nh 50.0 108.93 SOURCE3 1 0.0000 0.0000
|
|
|
1341 hc-c3-hc 39.4 108.35 SOURCE3 2380 0.7199 0.9006
|
|
|
1342 hc-c3-i 38.6 104.99 SOURCE0 1
|
|
|
1343 hc-c3-n 49.8 109.50 SOURCE0 1
|
|
|
1344 hc-c3-n2 49.3 109.50 SOURCE0 1
|
|
|
1345 hc-c3-n3 49.4 109.80 SOURCE2 5 1.5200 2.0070
|
|
|
1346 hc-c3-n4 49.0 107.90 SOURCE0 1
|
|
|
1347 hc-c3-na 49.9 109.50 SOURCE0 1
|
|
|
1348 hc-c3-nh 49.4 111.54 SOURCE0 1
|
|
|
1349 hc-c3-no 48.2 107.20 SOURCE2 1 0.0000 0.0000
|
|
|
1350 hc-c3-oh 51.1 109.50 SOURCE0 1
|
|
|
1351 hc-c3-os 50.9 108.70 SOURCE2 13 2.0769 2.3739
|
|
|
1352 hc-c3-p2 52.4 110.18 SOURCE3 25 0.3432 0.4057
|
|
|
1353 hc-c3-p3 52.7 110.14 SOURCE3 325 0.4003 0.5126
|
|
|
1354 hc-c3-p4 53.2 109.59 SOURCE3 87 0.2573 0.3196
|
|
|
1355 hc-c3-p5 53.8 109.64 SOURCE3 69 0.5787 0.8112
|
|
|
1356 hc-c3-px 53.5 109.74 SOURCE3 84 0.2586 0.3474
|
|
|
1357 hc-c3-py 53.9 109.54 SOURCE3 39 0.1670 0.1999
|
|
|
1358 hc-c3-s4 43.1 107.50 SOURCE2 1 0.0000 0.0000
|
|
|
1359 hc-c3-s6 43.8 108.20 SOURCE0 1
|
|
|
1360 hc-c3-sh 42.7 107.87 SOURCE2 3 1.9778 2.0981
|
|
|
1361 hc-c3-ss 42.5 108.76 SOURCE2 3 1.4244 1.6891
|
|
|
1362 hx-c3-hx 39.0 110.74 SOURCE3 137 0.3838 0.5531
|
|
|
1363 hx-c3-n4 49.0 107.91 SOURCE3 148 0.4013 0.5899
|
|
|
1364 i -c3-i 62.0 113.12 SOURCE3 1 0.0000 0.0000
|
|
|
1365 n -c3-n 68.8 113.81 SOURCE3 1 0.0000 0.0000
|
|
|
1366 n2-c3-n2 69.9 107.70 SOURCE3 1 0.0000 0.0000
|
|
|
1367 n2-c3-os 71.1 108.03 SOURCE3 1 0.0000 0.0000
|
|
|
1368 n3-c3-n3 69.3 110.48 SOURCE3 1 0.0000 0.0000
|
|
|
1369 n3-c3-nc 68.8 113.29 SOURCE3 1 0.0000 0.0000
|
|
|
1370 n3-c3-nd 68.8 113.29 SOURCE3 1 same as n3-c3-nc
|
|
|
1371 n3-c3-nh 71.1 105.80 SOURCE3 1 0.0000 0.0000
|
|
|
1372 n4-c3-n4 67.1 113.32 SOURCE3 1 0.0000 0.0000
|
|
|
1373 na-c3-na 69.1 113.49 SOURCE3 1 0.0000 0.0000
|
|
|
1374 na-c3-os 71.2 109.19 SOURCE3 2 0.6009 0.6009
|
|
|
1375 nc-c3-nc 70.0 110.61 SOURCE3 1 0.0000 0.0000
|
|
|
1376 nd-c3-nd 70.0 110.61 SOURCE3 1 same as nc-c3-nc
|
|
|
1377 nc-c3-nh 69.3 112.43 SOURCE3 1 0.0000 0.0000
|
|
|
1378 nd-c3-nh 69.3 112.43 SOURCE3 1 same as nc-c3-nh
|
|
|
1379 nc-c3-os 69.3 115.41 SOURCE3 3 0.8415 1.0288
|
|
|
1380 nd-c3-os 69.3 115.41 SOURCE3 3 same as nc-c3-os
|
|
|
1381 nh-c3-nh 71.4 105.87 SOURCE3 1 0.0000 0.0000
|
|
|
1382 no-c3-no 67.0 108.76 SOURCE3 1 0.0000 0.0000
|
|
|
1383 o -c3-o 73.4 122.30 SOURCE3 1 0.0000 0.0000
|
|
|
1384 oh-c3-oh 72.1 111.08 SOURCE3 1 0.0000 0.0000
|
|
|
1385 oh-c3-os 71.1 113.27 SOURCE3 1 0.0000 0.0000
|
|
|
1386 oh-c3-sh 63.3 115.46 SOURCE3 1 0.0000 0.0000
|
|
|
1387 os-c3-os 71.7 110.24 SOURCE3 17 1.6690 2.1340
|
|
|
1388 os-c3-ss 65.0 109.20 SOURCE3 1 0.0000 0.0000
|
|
|
1389 p2-c3-p2 98.2 110.48 SOURCE3 1 0.0000 0.0000
|
|
|
1390 p3-c3-p3 98.9 110.16 SOURCE3 1 0.0000 0.0000
|
|
|
1391 p5-c3-p5 97.9 116.24 SOURCE3 1 0.0000 0.0000
|
|
|
1392 s -c3-s 58.3 123.35 SOURCE3 1 0.0000 0.0000
|
|
|
1393 s4-c3-s4 62.4 112.29 SOURCE3 2 1.2724 1.2724
|
|
|
1394 s4-c3-s6 62.6 113.52 SOURCE0 1
|
|
|
1395 s6-c3-s6 63.7 111.75 SOURCE3 1 0.0000 0.0000
|
|
|
1396 sh-c3-sh 60.8 116.26 SOURCE3 1 0.0000 0.0000
|
|
|
1397 sh-c3-ss 62.3 110.73 SOURCE0 1
|
|
|
1398 ss-c3-ss 62.8 109.02 SOURCE3 2 0.2226 0.2226
|
|
|
1399 br-ca-br 67.3 117.60 SOURCE0 1
|
|
|
1400 br-ca-ca 63.5 118.13 SOURCE3 8 0.5232 0.6041
|
|
|
1401 c -ca-c 62.7 120.00 SOURCE0 1
|
|
|
1402 c -ca-c3 62.6 118.06 SOURCE0 1
|
|
|
1403 c -ca-ca 64.6 120.14 SOURCE3 40 0.3838 0.4788
|
|
|
1404 c -ca-ha 46.5 115.90 SOURCE0 1
|
|
|
1405 c -ca-hc 11.2 120.00 SOURCE0 1
|
|
|
1406 c -ca-nc 64.4 130.80 SOURCE0 1
|
|
|
1407 c -ca-nd 64.4 130.80 SOURCE0 1 same as c -ca-nc
|
|
|
1408 c1-ca-c1 64.7 120.00 SOURCE0 1
|
|
|
1409 c1-ca-ca 65.9 120.00 SOURCE0 1
|
|
|
1410 c2-ca-c2 62.9 120.00 SOURCE0 1
|
|
|
1411 c2-ca-ca 64.7 120.60 SOURCE0 1
|
|
|
1412 c3-ca-c2 62.2 120.00 SOURCE0 1
|
|
|
1413 c3-ca-c3 62.4 116.80 SOURCE0 1
|
|
|
1414 c3-ca-ca 63.8 120.63 SOURCE3 60 0.5436 0.7175
|
|
|
1415 c3-ca-cp 63.7 120.63 SOURCE3 60 0.5436 0.7175
|
|
|
1416 c3-ca-cq 63.7 120.63 SOURCE3 60 0.5436 0.7175
|
|
|
1417 ca-ca-ca 67.2 119.97 SOURCE3 1969 0.1024 0.3480
|
|
|
1418 ca-ca-cc 66.0 120.10 SOURCE3 103 0.2645 0.3451
|
|
|
1419 ca-ca-cd 66.0 120.10 SOURCE3 103 0.2645 0.3451
|
|
|
1420 ca-ca-ce 64.9 120.66 SOURCE3 14 0.1371 0.1564
|
|
|
1421 ca-ca-cf 64.9 120.66 SOURCE3 14 same as ca-ca-ce
|
|
|
1422 ca-ca-cg 65.9 120.05 SOURCE3 6 0.2260 0.2397
|
|
|
1423 ca-ca-ch 65.9 120.05 SOURCE3 6 same as ca-ca-cg
|
|
|
1424 ca-ca-cl 58.4 119.90 SOURCE2 2 0.0000 0.0000
|
|
|
1425 ca-ca-cp 67.2 119.07 SOURCE3 14 2.0133 2.3077
|
|
|
1426 ca-ca-cq 67.2 119.07 SOURCE3 14 2.0133 2.3077
|
|
|
1427 ca-ca-cx 64.8 119.68 SOURCE3 2 0.0000 0.0000
|
|
|
1428 ca-ca-f 67.6 118.74 SOURCE3 2 0.0000 0.0000
|
|
|
1429 ca-ca-h4 48.2 121.09 SOURCE3 57 1.0923 1.4696
|
|
|
1430 ca-ca-ha 48.5 120.01 SOURCE3 2980 0.1509 0.2511
|
|
|
1431 ca-ca-i 58.6 118.47 SOURCE3 10 0.4657 0.6181
|
|
|
1432 ca-ca-n 68.0 119.89 SOURCE3 18 0.1731 0.2095
|
|
|
1433 ca-ca-n2 66.8 119.57 SOURCE0 1
|
|
|
1434 ca-ca-n3 18.5 121.19 SOURCE0 1
|
|
|
1435 ca-ca-n4 67.3 118.41 SOURCE3 6 0.1594 0.1691
|
|
|
1436 ca-ca-na 70.2 118.34 SOURCE3 54 2.1861 3.6168
|
|
|
1437 ca-ca-nb 69.2 122.63 SOURCE3 83 0.9345 1.1249
|
|
|
1438 ca-ca-nc 70.1 119.72 SOURCE3 22 2.1776 3.3994
|
|
|
1439 ca-ca-nd 70.1 119.72 SOURCE3 22 2.1776 3.3994
|
|
|
1440 ca-ca-ne 67.7 119.88 SOURCE3 24 0.2867 0.3637
|
|
|
1441 ca-ca-nf 67.7 119.88 SOURCE3 24 0.2867 0.3637
|
|
|
1442 ca-ca-nh 69.3 120.13 SOURCE3 193 0.4375 0.6341
|
|
|
1443 ca-ca-no 66.9 119.54 SOURCE3 10 1.0504 1.3187
|
|
|
1444 ca-ca-o 70.9 123.43 SOURCE3 4 0.0000 0.0000
|
|
|
1445 ca-ca-oh 69.8 119.94 SOURCE3 14 0.1421 0.1627
|
|
|
1446 ca-ca-os 69.8 119.20 SOURCE3 52 0.4006 0.5240
|
|
|
1447 ca-ca-p2 77.9 114.36 SOURCE0 1
|
|
|
1448 ca-ca-p3 76.3 120.73 SOURCE3 6 0.1200 0.1273
|
|
|
1449 ca-ca-p4 77.1 120.30 SOURCE0 1
|
|
|
1450 ca-ca-p5 77.6 119.98 SOURCE0 1
|
|
|
1451 ca-ca-pe 76.3 120.45 SOURCE3 20 0.2577 0.2719
|
|
|
1452 ca-ca-pf 76.3 120.45 SOURCE3 20 0.2577 0.2719
|
|
|
1453 ca-ca-px 76.4 120.53 SOURCE3 10 0.4207 0.4509
|
|
|
1454 ca-ca-py 77.4 119.98 SOURCE3 6 0.0632 0.0670
|
|
|
1455 ca-ca-s 62.2 122.55 SOURCE3 4 0.0000 0.0000
|
|
|
1456 ca-ca-s4 61.7 119.15 SOURCE0 1
|
|
|
1457 ca-ca-s6 62.5 119.11 SOURCE0 1
|
|
|
1458 ca-ca-sh 61.5 120.13 SOURCE3 4 0.0431 0.0431
|
|
|
1459 ca-ca-ss 62.0 119.93 SOURCE3 16 0.3295 0.3901
|
|
|
1460 ca-ca-sx 61.2 119.18 SOURCE3 6 0.0409 0.0434
|
|
|
1461 ca-ca-sy 61.6 119.89 SOURCE3 24 1.1928 1.8813
|
|
|
1462 cd-ca-nb 66.9 126.21 SOURCE3 1 0.0000 0.0000
|
|
|
1463 cc-ca-nb 66.9 126.21 SOURCE3 1 same as cd-ca-nb
|
|
|
1464 cl-ca-cl 54.2 118.72 SOURCE0 1
|
|
|
1465 cp-ca-ha 48.0 121.08 SOURCE3 12 1.5789 1.7484
|
|
|
1466 cq-ca-ha 48.0 121.08 SOURCE3 12 1.5789 1.7484
|
|
|
1467 cp-ca-sy 63.9 111.18 SOURCE3 2 0.0000 0.0000
|
|
|
1468 cq-ca-sy 63.9 111.18 SOURCE3 2 0.0000 0.0000
|
|
|
1469 f -ca-f 68.1 117.50 SOURCE0 1
|
|
|
1470 h4-ca-n 49.5 116.02 SOURCE0 1
|
|
|
1471 h4-ca-na 51.9 114.65 SOURCE3 5 1.5115 1.5484
|
|
|
1472 h4-ca-nb 51.8 115.94 SOURCE3 52 0.5536 0.7370
|
|
|
1473 h4-ca-nc 51.5 118.36 SOURCE0 1
|
|
|
1474 h4-ca-nd 51.5 118.36 SOURCE0 1 same as h4-ca-nc
|
|
|
1475 h4-ca-os 52.3 111.15 SOURCE0 1
|
|
|
1476 h4-ca-ss 42.4 116.19 SOURCE0 1
|
|
|
1477 h5-ca-nb 51.8 116.35 SOURCE3 30 0.4960 0.5545
|
|
|
1478 h5-ca-nc 50.7 122.11 SOURCE0 1
|
|
|
1479 h5-ca-nd 50.7 122.11 SOURCE0 1 same as h5-ca-nc
|
|
|
1480 ha-ca-n2 48.1 116.00 SOURCE2 1 0.0000 0.0000
|
|
|
1481 ha-ca-p2 50.1 122.56 SOURCE0 1
|
|
|
1482 i -ca-i 62.3 119.28 SOURCE0 1
|
|
|
1483 n -ca-nc 69.7 123.86 SOURCE0 1
|
|
|
1484 n -ca-nd 69.7 123.86 SOURCE0 1 same as n -ca-nc
|
|
|
1485 n -ca-nh 71.3 116.16 SOURCE0 1
|
|
|
1486 n2-ca-n2 66.5 120.00 SOURCE0 1
|
|
|
1487 n2-ca-na 69.2 119.60 SOURCE0 1
|
|
|
1488 n4-ca-n4 67.7 116.82 SOURCE0 1
|
|
|
1489 na-ca-na 74.5 113.32 SOURCE0 1
|
|
|
1490 na-ca-nb 70.2 128.56 SOURCE3 3 0.3052 0.3533
|
|
|
1491 nb-ca-nb 71.2 125.84 SOURCE3 17 2.5680 4.1190
|
|
|
1492 nb-ca-nd 71.1 126.50 SOURCE3 2 0.0000 0.0000
|
|
|
1493 nb-ca-nc 71.1 126.50 SOURCE3 2 same as nb-ca-nd
|
|
|
1494 nb-ca-nh 72.6 118.96 SOURCE3 3 0.0580 0.0706
|
|
|
1495 nc-ca-nc 70.7 128.74 SOURCE0 1
|
|
|
1496 nd-ca-nd 70.7 128.74 SOURCE0 1 same as nc-ca-nc
|
|
|
1497 nc-ca-nh 72.8 118.86 SOURCE0 1
|
|
|
1498 nd-ca-nh 72.8 118.86 SOURCE0 1 same as nc-ca-nh
|
|
|
1499 nh-ca-nh 71.4 120.98 SOURCE0 1
|
|
|
1500 no-ca-no 67.4 117.14 SOURCE0 1
|
|
|
1501 o -ca-o 75.5 126.82 SOURCE0 1
|
|
|
1502 oh-ca-oh 72.6 120.00 SOURCE0 1
|
|
|
1503 os-ca-os 74.0 113.73 SOURCE0 1
|
|
|
1504 p2-ca-p2 94.5 121.20 SOURCE0 1
|
|
|
1505 p3-ca-p3 95.2 121.46 SOURCE0 1
|
|
|
1506 p5-ca-p5 97.3 120.00 SOURCE0 1
|
|
|
1507 s -ca-s 61.4 125.14 SOURCE0 1
|
|
|
1508 s4-ca-s4 65.0 105.81 SOURCE0 1
|
|
|
1509 s6-ca-s6 66.0 105.81 SOURCE0 1
|
|
|
1510 sh-ca-sh 61.0 120.24 SOURCE0 1
|
|
|
1511 ss-ca-ss 62.9 115.15 SOURCE0 1
|
|
|
1512 c -cc-c2 65.4 121.76 SOURCE3 1 0.0000 0.0000
|
|
|
1513 c -cd-c2 65.4 121.76 SOURCE3 1 same as c -cc-c2
|
|
|
1514 c -cc-c3 64.9 112.75 SOURCE3 4 0.2063 0.2063
|
|
|
1515 c -cd-c3 64.9 112.75 SOURCE3 4 0.2063 0.2063
|
|
|
1516 c -cc-ca 63.6 122.95 SOURCE3 1 0.0000 0.0000
|
|
|
1517 c -cd-ca 63.6 122.95 SOURCE3 1 same as c -cc-ca
|
|
|
1518 c -cc-cc 63.7 122.69 SOURCE3 2 0.0000 0.0000
|
|
|
1519 c -cd-cd 63.7 122.69 SOURCE3 2 0.0000 0.0000
|
|
|
1520 c -cc-cd 65.7 119.92 SOURCE3 61 2.5574 3.8679
|
|
|
1521 c -cd-cc 65.7 119.92 SOURCE3 61 2.5574 3.8679
|
|
|
1522 c -cc-cl 57.8 121.79 SOURCE3 1 0.0000 0.0000
|
|
|
1523 c -cd-cl 57.8 121.79 SOURCE3 1 same as c -cc-cl
|
|
|
1524 c -cc-ha 47.0 117.02 SOURCE3 56 1.2989 1.9713
|
|
|
1525 c -cd-ha 47.0 117.02 SOURCE3 56 1.2989 1.9713
|
|
|
1526 c -cc-n2 68.4 120.89 SOURCE3 1 0.0000 0.0000
|
|
|
1527 c -cd-n2 68.4 120.89 SOURCE3 1 same as c -cc-n2
|
|
|
1528 c -cc-nd 70.1 112.91 SOURCE3 1 0.0000 0.0000
|
|
|
1529 c -cd-nc 70.1 112.91 SOURCE3 1 same as c -cc-nd
|
|
|
1530 c -cc-oh 68.5 118.74 SOURCE3 3 5.1845 5.1845
|
|
|
1531 c -cd-oh 68.5 118.74 SOURCE3 3 5.1845 5.1845
|
|
|
1532 c2-cc-c3 63.3 126.11 SOURCE3 2 0.0000 0.0000
|
|
|
1533 c2-cd-c3 63.3 126.11 SOURCE3 2 0.0000 0.0000
|
|
|
1534 c2-cc-ca 64.4 128.22 SOURCE3 1 0.0000 0.0000
|
|
|
1535 c2-cd-ca 64.4 128.22 SOURCE3 1 same as c2-cc-ca
|
|
|
1536 c2-cc-cc 65.3 125.41 SOURCE3 3 2.0867 2.0867
|
|
|
1537 c2-cd-cd 65.3 125.41 SOURCE3 3 2.0867 2.0867
|
|
|
1538 c2-cc-cd 69.1 117.02 SOURCE3 2 0.0703 0.0703
|
|
|
1539 c2-cd-cc 69.1 117.02 SOURCE3 2 same as c2-cc-cd
|
|
|
1540 c2-cc-ha 48.7 122.72 SOURCE3 2 0.0092 0.0092
|
|
|
1541 c2-cd-ha 48.7 122.72 SOURCE3 2 same as c2-cc-ha
|
|
|
1542 c2-cc-n 67.7 126.90 SOURCE3 1 0.0000 0.0000
|
|
|
1543 c2-cd-n 67.7 126.90 SOURCE3 1 same as c2-cc-n
|
|
|
1544 c2-cc-os 70.5 119.31 SOURCE3 2 2.2167 2.2167
|
|
|
1545 c2-cd-os 70.5 119.31 SOURCE3 2 same as c2-cc-os
|
|
|
1546 c3-cc-ca 64.1 117.81 SOURCE3 8 9.2044 9.2060
|
|
|
1547 c3-cd-ca 64.1 117.81 SOURCE3 8 same as c3-cc-ca
|
|
|
1548 c3-cc-cc 64.7 115.97 SOURCE3 4 2.7731 3.0507
|
|
|
1549 c3-cd-cd 64.7 115.97 SOURCE3 4 2.7731 3.0507
|
|
|
1550 c3-cc-cd 64.8 119.45 SOURCE3 35 7.1944 8.2040
|
|
|
1551 c3-cd-cc 64.8 119.45 SOURCE3 35 7.1944 8.2040
|
|
|
1552 c3-cc-cf 65.4 117.84 SOURCE3 1 0.0000 0.0000
|
|
|
1553 c3-cd-ce 65.4 117.84 SOURCE3 1 same as c3-cc-cf
|
|
|
1554 c3-cc-ha 45.1 121.52 SOURCE3 32 2.8716 3.2091
|
|
|
1555 c3-cd-ha 45.1 121.52 SOURCE3 32 2.8716 3.2091
|
|
|
1556 c3-cc-n2 64.5 131.55 SOURCE3 1 0.0000 0.0000
|
|
|
1557 c3-cd-n2 64.5 131.55 SOURCE3 1 same as c3-cc-n2
|
|
|
1558 c3-cc-na 65.5 122.80 SOURCE3 4 0.4055 0.4308
|
|
|
1559 c3-cd-na 65.5 122.80 SOURCE3 4 0.4055 0.4308
|
|
|
1560 c3-cc-nc 65.8 121.44 SOURCE3 2 0.1912 0.1912
|
|
|
1561 c3-cd-nd 65.8 121.44 SOURCE3 2 same as c3-cc-nc
|
|
|
1562 c3-cc-nd 66.4 121.96 SOURCE3 6 4.6612 4.8451
|
|
|
1563 c3-cd-nc 66.4 121.96 SOURCE3 6 4.6612 4.8451
|
|
|
1564 ca-cc-cc 67.7 111.04 SOURCE3 9 5.2494 7.9455
|
|
|
1565 ca-cd-cd 67.7 111.04 SOURCE3 9 5.2494 7.9455
|
|
|
1566 ca-cc-cd 68.2 113.51 SOURCE3 26 6.3054 7.4229
|
|
|
1567 ca-cd-cc 68.2 113.51 SOURCE3 26 6.3054 7.4229
|
|
|
1568 ca-cc-h4 45.6 128.66 SOURCE3 10 2.0866 3.1167
|
|
|
1569 ca-cd-h4 45.6 128.66 SOURCE3 10 2.0866 3.1167
|
|
|
1570 ca-cc-ha 46.4 124.04 SOURCE3 34 2.5190 3.6691
|
|
|
1571 ca-cd-ha 46.4 124.04 SOURCE3 34 2.5190 3.6691
|
|
|
1572 ca-cc-n 72.5 104.87 SOURCE3 1 0.0000 0.0000
|
|
|
1573 ca-cd-n 72.5 104.87 SOURCE3 1 same as ca-cc-n
|
|
|
1574 ca-cc-nd 70.2 115.05 SOURCE3 6 3.7100 4.3938
|
|
|
1575 ca-cc-nc 70.2 115.05 SOURCE3 6 3.7100 4.3938 added by eajfpeters
|
|
|
1576 ca-cd-nc 70.2 115.05 SOURCE3 6 3.7100 4.3938
|
|
|
1577 ca-cd-nc 70.2 115.05 SOURCE3 6 3.7100 4.3938 added by eajfpeters
|
|
|
1578 ca-cc-os 69.5 116.24 SOURCE3 4 3.6507 5.0903
|
|
|
1579 ca-cd-os 69.5 116.24 SOURCE3 4 same as ca-cc-os
|
|
|
1580 ca-cc-ss 64.9 111.09 SOURCE3 4 0.0000 0.0000
|
|
|
1581 ca-cd-ss 64.9 111.09 SOURCE3 4 same as ca-cc-ss
|
|
|
1582 cc-cc-cc 67.9 110.70 SOURCE3 54 2.3111 3.4091
|
|
|
1583 cd-cd-cd 67.9 110.70 SOURCE3 54 2.3111 3.4091
|
|
|
1584 cc-cc-cd 68.2 114.19 SOURCE3 517 5.4334 6.5960
|
|
|
1585 cc-cd-cd 68.2 114.19 SOURCE3 517 5.4334 6.5960
|
|
|
1586 cc-cc-cf 65.6 123.92 SOURCE3 1 0.0000 0.0000
|
|
|
1587 cd-cd-ce 65.6 123.92 SOURCE3 1 same as cc-cc-cf
|
|
|
1588 cc-cc-h4 45.6 129.47 SOURCE3 171 1.7718 2.2734
|
|
|
1589 cd-cd-h4 45.6 129.47 SOURCE3 171 1.7718 2.2734
|
|
|
1590 cc-cc-ha 46.6 123.74 SOURCE3 656 2.7165 3.3195
|
|
|
1591 cd-cd-ha 46.6 123.74 SOURCE3 656 2.7165 3.3195
|
|
|
1592 cc-cc-n 67.9 119.89 SOURCE3 36 0.1731 0.2095
|
|
|
1593 cd-cd-n 67.9 119.89 SOURCE3 36 0.1731 0.2095
|
|
|
1594 cc-cc-n2 69.3 121.15 SOURCE3 6 0.4642 0.4642
|
|
|
1595 cd-cd-n2 69.3 121.15 SOURCE3 6 0.4642 0.4642
|
|
|
1596 cc-cc-na 72.2 106.80 SOURCE3 33 0.4847 0.6297
|
|
|
1597 cd-cd-na 72.2 106.80 SOURCE3 33 same as cc-cc-na
|
|
|
1598 cc-cc-nc 70.0 113.42 SOURCE3 4 1.1985 1.3957
|
|
|
1599 cd-cd-nd 70.0 113.42 SOURCE3 4 same as cc-cc-nc
|
|
|
1600 cc-cc-nd 71.1 112.56 SOURCE3 141 3.3765 4.2871
|
|
|
1601 cd-cd-nc 71.1 112.56 SOURCE3 141 3.3765 4.2871
|
|
|
1602 cc-cc-os 68.4 120.43 SOURCE3 4 7.5873 8.6974
|
|
|
1603 cd-cd-os 68.4 120.43 SOURCE3 4 same as cc-cc-os
|
|
|
1604 cc-cc-ss 63.8 115.02 SOURCE3 2 0.0000 0.0000
|
|
|
1605 cd-cd-ss 63.8 115.02 SOURCE3 2 0.0000 0.0000
|
|
|
1606 cd-cc-cd 69.3 115.51 SOURCE3 2 0.0000 0.0000
|
|
|
1607 cc-cd-cc 69.3 115.51 SOURCE3 2 0.0000 0.0000
|
|
|
1608 cd-cc-h4 47.2 129.11 SOURCE3 418 2.0265 3.1355
|
|
|
1609 cc-cd-h4 47.2 129.11 SOURCE3 418 2.0265 3.1355
|
|
|
1610 cd-cc-ha 48.4 122.89 SOURCE3 584 2.3225 2.9334
|
|
|
1611 cc-cd-ha 48.4 122.89 SOURCE3 584 2.3225 2.9334
|
|
|
1612 cd-cc-n 70.7 115.52 SOURCE3 52 1.0811 1.3322
|
|
|
1613 cc-cd-n 70.7 115.52 SOURCE3 52 1.0811 1.3322
|
|
|
1614 cd-cc-na 72.9 109.42 SOURCE3 265 1.3410 2.6051
|
|
|
1615 cc-cd-na 72.9 109.42 SOURCE3 265 1.3410 2.6051
|
|
|
1616 cd-cc-nc 71.0 114.98 SOURCE3 23 4.6219 5.3935
|
|
|
1617 cc-cd-nd 71.0 114.98 SOURCE3 23 4.6219 5.3935
|
|
|
1618 cd-cc-nh 68.4 125.04 SOURCE3 1 0.0000 0.0000
|
|
|
1619 cc-cd-nh 68.4 125.04 SOURCE3 1 same as cd-cc-nh
|
|
|
1620 cd-cc-oh 68.8 126.44 SOURCE3 3 0.5018 0.5018
|
|
|
1621 cc-cd-oh 68.8 126.44 SOURCE3 3 0.5018 0.5018
|
|
|
1622 cd-cc-os 70.0 120.30 SOURCE3 64 3.4271 5.4354
|
|
|
1623 cc-cd-os 70.0 120.30 SOURCE3 64 3.4271 5.4354
|
|
|
1624 cd-cc-ss 63.6 118.17 SOURCE3 37 3.1217 5.1653
|
|
|
1625 cc-cd-ss 63.6 118.17 SOURCE3 37 3.1217 5.1653
|
|
|
1626 cl-cc-nd 59.8 125.30 SOURCE3 1 0.0000 0.0000
|
|
|
1627 cl-cd-nc 59.8 125.30 SOURCE3 1 same as cl-cc-nd
|
|
|
1628 h4-cc-n 50.4 117.62 SOURCE3 53 0.6887 0.9721
|
|
|
1629 h4-cd-n 50.4 117.62 SOURCE3 53 0.6887 0.9721
|
|
|
1630 h4-cc-na 50.2 119.66 SOURCE3 294 0.9445 2.4702
|
|
|
1631 h4-cd-na 50.2 119.66 SOURCE3 294 0.9445 2.4702
|
|
|
1632 h4-cc-nc 50.0 120.03 SOURCE3 16 1.9828 2.3863
|
|
|
1633 h4-cd-nd 50.0 120.03 SOURCE3 16 1.9828 2.3863
|
|
|
1634 h4-cc-nd 51.4 119.11 SOURCE3 135 1.2486 1.6946
|
|
|
1635 h4-cd-nc 51.4 119.11 SOURCE3 135 1.2486 1.6946
|
|
|
1636 h4-cc-os 52.3 111.89 SOURCE3 61 1.5084 2.3500
|
|
|
1637 h4-cd-os 52.3 111.89 SOURCE3 61 1.5084 2.3500
|
|
|
1638 h4-cc-ss 43.0 117.75 SOURCE3 40 2.0527 3.1156
|
|
|
1639 h4-cd-ss 43.0 117.75 SOURCE3 40 2.0527 3.1156
|
|
|
1640 h5-cc-na 49.8 122.10 SOURCE3 16 1.2773 1.4626
|
|
|
1641 h5-cd-na 49.8 122.10 SOURCE3 16 1.2773 1.4626
|
|
|
1642 h5-cc-nc 49.3 123.70 SOURCE3 6 0.2952 0.3547
|
|
|
1643 h5-cd-nd 49.3 123.70 SOURCE3 6 0.2952 0.3547
|
|
|
1644 h5-cc-nd 50.1 125.38 SOURCE3 40 1.6952 2.2157
|
|
|
1645 h5-cd-nc 50.1 125.38 SOURCE3 40 1.6952 2.2157
|
|
|
1646 h5-cc-os 51.3 116.33 SOURCE3 12 2.1788 3.2919
|
|
|
1647 h5-cd-os 51.3 116.33 SOURCE3 12 2.1788 3.2919
|
|
|
1648 h5-cc-ss 42.2 122.00 SOURCE3 6 0.5719 0.7237
|
|
|
1649 h5-cd-ss 42.2 122.00 SOURCE3 6 0.5719 0.7237
|
|
|
1650 ha-cc-na 49.8 121.50 SOURCE2 1 0.0000 0.0000
|
|
|
1651 ha-cd-na 49.8 121.50 SOURCE2 1 same as ha-cc-na
|
|
|
1652 ha-cc-nc 50.7 116.54 SOURCE3 5 1.4298 1.4482
|
|
|
1653 ha-cd-nd 50.7 116.54 SOURCE3 5 1.4298 1.4482
|
|
|
1654 ha-cc-nd 51.4 118.88 SOURCE3 20 2.6038 2.8923
|
|
|
1655 ha-cd-nc 51.4 118.88 SOURCE3 20 2.6038 2.8923
|
|
|
1656 ha-cc-os 52.5 110.86 SOURCE3 7 1.2407 1.3846
|
|
|
1657 ha-cd-os 52.5 110.86 SOURCE3 7 1.2407 1.3846
|
|
|
1658 ha-cc-ss 42.3 121.64 SOURCE2 5 1.0080 1.3276
|
|
|
1659 ha-cd-ss 42.3 121.64 SOURCE2 5 same as ha-cc-ss
|
|
|
1660 n -cc-c 68.2 116.06 SOURCE3 1 0.0000 0.0000
|
|
|
1661 c -cd-n 68.2 116.06 SOURCE3 1 same as n -cc-c
|
|
|
1662 n -cc-nh 72.2 117.01 SOURCE3 2 0.0000 0.0000
|
|
|
1663 n -cd-nh 72.2 117.01 SOURCE3 2 0.0000 0.0000
|
|
|
1664 na-cc-nc 69.7 125.32 SOURCE3 1 0.0000 0.0000
|
|
|
1665 na-cd-nd 69.7 125.32 SOURCE3 1 same as na-cc-nc
|
|
|
1666 na-cc-nd 74.8 112.02 SOURCE3 17 1.9564 2.2434
|
|
|
1667 na-cd-nc 74.8 112.02 SOURCE3 17 1.9564 2.2434
|
|
|
1668 nc-cc-nd 72.5 118.69 SOURCE3 9 6.4647 6.6642
|
|
|
1669 nc-cd-nd 72.5 118.69 SOURCE3 9 6.4647 6.6642
|
|
|
1670 nc-cc-ss 64.6 119.86 SOURCE3 2 0.0000 0.0000
|
|
|
1671 nd-cd-ss 64.6 119.86 SOURCE3 2 same as nc-cc-ss
|
|
|
1672 nd-cc-nh 72.4 120.11 SOURCE3 5 0.7833 0.9313
|
|
|
1673 nc-cd-nh 72.4 120.11 SOURCE3 5 0.7833 0.9313
|
|
|
1674 nd-cc-os 73.0 119.14 SOURCE3 16 7.0412 7.4096
|
|
|
1675 nc-cd-os 73.0 119.14 SOURCE3 16 7.0412 7.4096
|
|
|
1676 nd-cc-ss 66.5 114.51 SOURCE3 8 0.2795 0.3449
|
|
|
1677 nc-cd-ss 66.5 114.51 SOURCE3 8 0.2795 0.3449
|
|
|
1678 nh-cc-nh 72.9 115.96 SOURCE3 1 0.0000 0.0000
|
|
|
1679 nh-cd-nh 72.9 115.96 SOURCE3 1 same as nh-cc-nh
|
|
|
1680 os-cc-ss 62.0 132.01 SOURCE3 1 0.0000 0.0000
|
|
|
1681 os-cd-ss 62.0 132.01 SOURCE3 1 same as os-cc-ss
|
|
|
1682 ss-cc-ss 62.2 122.30 SOURCE3 2 0.0000 0.0000
|
|
|
1683 ss-cd-ss 62.2 122.30 SOURCE3 2 same as ss-cc-ss
|
|
|
1684 c -cd-nd 64.3 130.80 SOURCE3 1 0.0000 0.0000
|
|
|
1685 c -cc-nc 64.3 130.80 SOURCE3 1 same as c -cd-nd
|
|
|
1686 c3-cd-os 67.8 115.89 SOURCE3 1 0.0000 0.0000
|
|
|
1687 c3-cc-os 67.8 115.89 SOURCE3 1 same as c3-cd-os
|
|
|
1688 cd-cd-nh 68.6 118.98 SOURCE3 1 0.0000 0.0000
|
|
|
1689 cc-cc-nh 68.6 118.98 SOURCE3 1 same as cd-cd-nh
|
|
|
1690 cd-cd-pc 80.8 115.36 SOURCE3 84 3.0583 3.2889
|
|
|
1691 cc-cc-pd 80.8 115.36 SOURCE3 84 same as cd-cd-pc
|
|
|
1692 ha-cd-pc 53.6 121.76 SOURCE3 84 2.0450 2.2216
|
|
|
1693 ha-cc-pd 53.6 121.76 SOURCE3 84 same as ha-cd-pc
|
|
|
1694 n -cd-nc 70.9 123.86 SOURCE3 1 0.0000 0.0000
|
|
|
1695 n -cc-nd 70.9 123.86 SOURCE3 1 same as n -cd-nc
|
|
|
1696 nd-cd-nh 73.9 111.94 SOURCE3 1 0.0000 0.0000
|
|
|
1697 nc-cc-nh 73.9 111.94 SOURCE3 1 same as nd-cd-nh
|
|
|
1698 c -ce-c 63.5 118.85 SOURCE3 1 0.0000 0.0000
|
|
|
1699 c -cf-c 63.5 118.85 SOURCE3 1 same as c -ce-c
|
|
|
1700 c -ce-c2 65.8 120.42 SOURCE3 13 1.3613 1.8877
|
|
|
1701 c -cf-c2 65.8 120.42 SOURCE3 13 same as c -ce-c2
|
|
|
1702 c -ce-c3 63.1 118.00 SOURCE3 4 2.0537 2.1860
|
|
|
1703 c -cf-c3 63.1 118.00 SOURCE3 4 same as c -ce-c3
|
|
|
1704 c -ce-cf 64.3 126.41 SOURCE3 2 5.7847 5.7847
|
|
|
1705 c -cf-ce 64.3 126.41 SOURCE3 2 same as c -ce-cf
|
|
|
1706 c -ce-ha 46.6 117.26 SOURCE3 11 2.2096 2.7158
|
|
|
1707 c -cf-ha 46.6 117.26 SOURCE3 11 2.2096 2.7158
|
|
|
1708 c -ce-nh 66.7 122.76 SOURCE3 1 0.0000 0.0000
|
|
|
1709 c -cf-nh 66.7 122.76 SOURCE3 1 same as c -ce-nh
|
|
|
1710 c2-ce-c3 64.3 122.89 SOURCE3 7 0.8750 1.0449
|
|
|
1711 c2-cf-c3 64.3 122.89 SOURCE3 7 same as c2-ce-c3
|
|
|
1712 c2-ce-ca 65.2 123.08 SOURCE3 6 2.1558 2.1589
|
|
|
1713 c2-cf-ca 65.2 123.08 SOURCE3 6 same as c2-ce-ca
|
|
|
1714 c2-ce-ce 65.7 123.08 SOURCE3 12 0.5820 0.6518
|
|
|
1715 c2-cf-cf 65.7 123.08 SOURCE3 12 same as c2-ce-ce
|
|
|
1716 c2-ce-cg 66.5 122.22 SOURCE3 3 0.7952 0.8434
|
|
|
1717 c2-cf-ch 66.5 122.22 SOURCE3 3 same as c2-ce-cg
|
|
|
1718 c2-ce-ha 49.6 121.10 SOURCE3 46 1.8238 2.4054
|
|
|
1719 c2-cf-ha 49.6 121.10 SOURCE3 46 same as c2-ce-ha
|
|
|
1720 c2-ce-n2 70.3 128.70 SOURCE3 1 0.0000 0.0000
|
|
|
1721 c2-cf-n2 70.3 128.70 SOURCE3 1 same as c2-ce-n2
|
|
|
1722 c2-ce-ne 69.7 118.32 SOURCE3 7 0.8179 1.0468
|
|
|
1723 c2-cf-nf 69.7 118.32 SOURCE3 7 same as c2-ce-ne
|
|
|
1724 c2-ce-p2 77.9 118.24 SOURCE0 1
|
|
|
1725 c2-cf-p2 77.9 118.24 SOURCE0 1 same as c2-ce-p2
|
|
|
1726 c2-ce-pe 77.6 118.76 SOURCE3 8 2.1170 2.3984
|
|
|
1727 c2-cf-pf 77.6 118.76 SOURCE3 8 same as c2-ce-pe
|
|
|
1728 c2-ce-px 77.2 119.72 SOURCE3 6 0.3888 0.5213
|
|
|
1729 c2-cf-px 77.2 119.72 SOURCE3 6 same as c2-ce-px
|
|
|
1730 c2-ce-py 77.4 122.13 SOURCE3 5 3.0715 3.1367
|
|
|
1731 c2-cf-py 77.4 122.13 SOURCE3 5 same as c2-ce-py
|
|
|
1732 c2-ce-sx 61.6 119.87 SOURCE3 5 0.6330 0.8557
|
|
|
1733 c2-cf-sx 61.6 119.87 SOURCE3 5 same as c2-ce-sx
|
|
|
1734 c2-ce-sy 62.0 120.35 SOURCE3 5 0.4293 0.5401
|
|
|
1735 c2-cf-sy 62.0 120.35 SOURCE3 5 same as c2-ce-sy
|
|
|
1736 c3-ce-ca 63.2 117.62 SOURCE3 1 0.0000 0.0000
|
|
|
1737 c3-cf-ca 63.2 117.62 SOURCE3 1 same as c3-ce-ca
|
|
|
1738 c3-ce-ce 63.3 118.71 SOURCE3 4 1.3456 1.5974
|
|
|
1739 c3-cf-cf 63.3 118.71 SOURCE3 4 same as c3-ce-ce
|
|
|
1740 c3-ce-n2 68.6 116.94 SOURCE3 2 0.0000 0.0000
|
|
|
1741 c3-cf-n2 68.6 116.94 SOURCE3 2 same as c3-ce-n2
|
|
|
1742 ca-ce-ca 63.8 117.93 SOURCE3 1 0.0000 0.0000
|
|
|
1743 ca-cf-ca 63.8 117.93 SOURCE3 1 same as ca-ce-ca
|
|
|
1744 ca-ce-ha 46.7 116.87 SOURCE3 4 1.2172 1.4055
|
|
|
1745 ca-cf-ha 46.7 116.87 SOURCE3 4 same as ca-ce-ha
|
|
|
1746 ca-ce-n2 68.5 120.72 SOURCE3 1 0.0000 0.0000
|
|
|
1747 ca-cf-n2 68.5 120.72 SOURCE3 1 same as ca-ce-n2
|
|
|
1748 ce-ce-ce 64.5 118.74 SOURCE3 1 0.0000 0.0000
|
|
|
1749 cf-cf-cf 64.5 118.74 SOURCE3 1 same as ce-ce-ce
|
|
|
1750 ce-ce-ha 47.5 115.90 SOURCE3 12 0.3242 0.4670
|
|
|
1751 cf-cf-ha 47.5 115.90 SOURCE3 12 0.3242 0.4670
|
|
|
1752 ce-ce-n2 68.5 123.00 SOURCE3 2 0.0000 0.0000
|
|
|
1753 cf-cf-n2 68.5 123.00 SOURCE3 2 same as ce-ce-n2
|
|
|
1754 cf-ce-ha 50.6 116.11 SOURCE3 4 1.6696 1.6696
|
|
|
1755 ce-cf-ha 50.6 116.11 SOURCE3 4 1.6696 1.6696
|
|
|
1756 cg-ce-cg 66.0 116.75 SOURCE3 1 0.0000 0.0000
|
|
|
1757 ch-cf-ch 66.0 116.75 SOURCE3 1 same as cg-ce-cg
|
|
|
1758 cg-ce-ha 47.8 117.00 SOURCE2 1 0.0000 0.0000
|
|
|
1759 ch-cf-ha 47.8 117.00 SOURCE2 1 same as cg-ce-ha
|
|
|
1760 cg-ce-n1 69.3 119.50 SOURCE2 1 0.0000 0.0000
|
|
|
1761 ch-cf-n1 69.3 119.50 SOURCE2 1 same as cg-ce-n1
|
|
|
1762 ha-ce-n2 52.9 119.51 SOURCE3 2 0.4623 0.4623
|
|
|
1763 ha-cf-n2 52.9 119.51 SOURCE3 2 same as ha-ce-n2
|
|
|
1764 ha-ce-ne 49.2 118.59 SOURCE3 5 1.0130 1.1113
|
|
|
1765 ha-cf-nf 49.2 118.59 SOURCE3 5 same as ha-ce-ne
|
|
|
1766 ha-ce-nh 52.1 114.99 SOURCE3 1 0.0000 0.0000
|
|
|
1767 ha-cf-nh 52.1 114.99 SOURCE3 1 same as ha-ce-nh
|
|
|
1768 ha-ce-p2 51.4 120.11 SOURCE0 1
|
|
|
1769 ha-cf-p2 51.4 120.11 SOURCE0 1 same as ha-ce-p2
|
|
|
1770 ha-ce-pe 51.4 119.33 SOURCE3 6 0.7187 0.8966
|
|
|
1771 ha-cf-pf 51.4 119.33 SOURCE3 6 same as ha-ce-pe
|
|
|
1772 ha-ce-px 51.7 117.90 SOURCE3 6 0.1568 0.1809
|
|
|
1773 ha-cf-px 51.7 117.90 SOURCE3 6 same as ha-ce-px
|
|
|
1774 ha-ce-py 52.3 118.72 SOURCE3 3 0.2888 0.3064
|
|
|
1775 ha-cf-py 52.3 118.72 SOURCE3 3 same as ha-ce-py
|
|
|
1776 ha-ce-sx 41.8 115.45 SOURCE3 3 0.6260 0.6640
|
|
|
1777 ha-cf-sx 41.8 115.45 SOURCE3 3 same as ha-ce-sx
|
|
|
1778 ha-ce-sy 42.3 114.86 SOURCE3 3 0.4447 0.4717
|
|
|
1779 ha-cf-sy 42.3 114.86 SOURCE3 3 same as ha-ce-sy
|
|
|
1780 ne-ce-ne 68.1 123.87 SOURCE3 1 0.0000 0.0000
|
|
|
1781 nf-cf-nf 68.1 123.87 SOURCE3 1 same as ne-ce-ne
|
|
|
1782 pe-ce-pe 92.4 129.79 SOURCE3 1 0.0000 0.0000
|
|
|
1783 pf-cf-pf 92.4 129.79 SOURCE3 1 same as pe-ce-pe
|
|
|
1784 py-ce-py 102.6 108.06 SOURCE3 1 0.0000 0.0000
|
|
|
1785 py-cf-py 102.6 108.06 SOURCE3 1 same as py-ce-py
|
|
|
1786 sx-ce-sx 60.6 120.32 SOURCE3 1 0.0000 0.0000
|
|
|
1787 sx-cf-sx 60.6 120.32 SOURCE3 1 same as sx-ce-sx
|
|
|
1788 sy-ce-sy 61.2 119.97 SOURCE3 1 0.0000 0.0000
|
|
|
1789 sy-cf-sy 61.2 119.97 SOURCE3 1 same as sy-ce-sy
|
|
|
1790 c -cf-cc 63.9 126.07 SOURCE3 1 0.0000 0.0000
|
|
|
1791 c -ce-cd 63.9 126.07 SOURCE3 1 same as c -cf-cc
|
|
|
1792 cc-cf-ha 49.3 119.16 SOURCE3 1 0.0000 0.0000
|
|
|
1793 cd-ce-ha 49.3 119.16 SOURCE3 1 same as cc-cf-ha
|
|
|
1794 ce-cf-cf 63.8 130.92 SOURCE3 2 5.4656 5.4656
|
|
|
1795 ce-ce-cf 63.8 130.92 SOURCE3 2 same as ce-cf-cf
|
|
|
1796 cf-cf-n1 66.6 127.15 SOURCE3 2 2.1936 2.1936
|
|
|
1797 ce-ce-n1 66.6 127.15 SOURCE3 2 same as cf-cf-n1
|
|
|
1798 ha-cf-n1 52.5 115.96 SOURCE3 2 3.5425 3.5425
|
|
|
1799 ha-ce-n1 52.5 115.96 SOURCE3 2 same as ha-cf-n1
|
|
|
1800 c -cg-c1 56.2 179.14 SOURCE3 2 0.0000 0.0000
|
|
|
1801 c -ch-c1 56.2 179.14 SOURCE3 2 same as c -cg-c1
|
|
|
1802 c1-cg-ca 56.4 180.00 SOURCE3 2 0.0000 0.0000
|
|
|
1803 c1-ch-ca 56.4 180.00 SOURCE3 2 same as c1-cg-ca
|
|
|
1804 c1-cg-ce 56.9 178.32 SOURCE3 1 0.0000 0.0000
|
|
|
1805 c1-ch-cf 56.9 178.32 SOURCE3 1 same as c1-cg-ce
|
|
|
1806 c1-cg-cg 58.1 180.00 SOURCE3 2 0.0000 0.0000
|
|
|
1807 c1-ch-ch 58.1 180.00 SOURCE3 2 same as c1-cg-cg
|
|
|
1808 c1-cg-ne 61.7 170.02 SOURCE3 4 0.9102 1.1724
|
|
|
1809 c1-ch-nf 61.7 170.02 SOURCE3 4 same as c1-cg-ne
|
|
|
1810 c1-cg-pe 71.8 173.29 SOURCE3 11 4.6016 4.9305
|
|
|
1811 c1-ch-pf 71.8 173.29 SOURCE3 11 same as c1-cg-pe
|
|
|
1812 ca-cg-n1 58.8 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
1813 ca-ch-n1 58.8 180.00 SOURCE3 1 same as ca-cg-n1
|
|
|
1814 ce-cg-n1 59.1 179.58 SOURCE3 2 0.0000 0.0000
|
|
|
1815 cf-ch-n1 59.1 179.58 SOURCE3 2 same as ce-cg-n1
|
|
|
1816 n1-cg-ne 63.4 176.17 SOURCE2 3 2.5556 3.0641
|
|
|
1817 n1-ch-nf 63.4 176.17 SOURCE2 3 same as n1-cg-ne
|
|
|
1818 f -cl-f 0.0 87.50 SOURCE2 1 0.0000 0.0000
|
|
|
1819 ca-cp-ca 67.1 118.75 SOURCE3 4 0.0123 0.0123
|
|
|
1820 ca-cp-cp 62.6 127.01 SOURCE3 18 7.1022 7.1465
|
|
|
1821 ca-cp-nb 68.7 122.97 SOURCE3 2 0.0000 0.0000
|
|
|
1822 cp-cp-cp 72.2 90.00 SOURCE3 4 0.0000 0.0000
|
|
|
1823 cp-cp-nb 67.9 116.43 SOURCE3 2 0.0000 0.0000
|
|
|
1824 ca-cq-ca 67.1 118.75 SOURCE3 4 0.0123 0.0123
|
|
|
1825 ca-cq-cq 62.6 127.01 SOURCE3 18 7.1022 7.1465
|
|
|
1826 ca-cq-nb 68.7 122.97 SOURCE3 2 0.0000 0.0000
|
|
|
1827 cq-cq-cq 72.2 90.00 SOURCE3 4 0.0000 0.0000
|
|
|
1828 cq-cq-nb 67.9 116.43 SOURCE3 2 0.0000 0.0000
|
|
|
1829 c -cu-cu 95.0 62.60 SOURCE2 1 0.0000 0.0000
|
|
|
1830 cu-cu-cx 101.0 50.80 SOURCE2 1 0.0000 0.0000
|
|
|
1831 cu-cu-ha 46.1 147.73 SOURCE2 3 1.8889 2.0950
|
|
|
1832 cv-cv-cy 73.3 94.17 SOURCE3 2 0.0000 0.0000
|
|
|
1833 cv-cv-ha 47.3 133.70 SOURCE3 2 0.0000 0.0000
|
|
|
1834 cx-cv-cx 84.7 63.90 SOURCE2 1 0.0000 0.0000
|
|
|
1835 cy-cv-ha 42.9 132.14 SOURCE3 2 0.0000 0.0000
|
|
|
1836 c -cx-cx 72.6 88.75 SOURCE2 2 31.0500 31.0500
|
|
|
1837 c -cx-hc 46.0 118.50 SOURCE2 1 0.0000 0.0000
|
|
|
1838 c2-cx-hc 44.5 124.20 SOURCE2 2 0.0000 0.0000
|
|
|
1839 c3-cx-c3 61.5 120.00 SOURCE2 1 0.0000 0.0000
|
|
|
1840 c3-cx-cx 61.7 120.67 SOURCE3 4 0.0000 0.0000
|
|
|
1841 ca-cx-oh 69.3 112.93 SOURCE3 1 0.0000 0.0000
|
|
|
1842 ca-cx-os 66.5 118.12 SOURCE3 2 0.0000 0.0000
|
|
|
1843 cl-cx-cl 54.4 114.20 SOURCE2 1 0.0000 0.0000
|
|
|
1844 cl-cx-cx 56.9 118.70 SOURCE2 1 0.0000 0.0000
|
|
|
1845 cl-cx-h1 40.4 111.43 SOURCE3 1 0.0000 0.0000
|
|
|
1846 cl-cx-hc 39.6 115.80 SOURCE2 1 0.0000 0.0000
|
|
|
1847 cu-cx-cu 91.5 54.60 SOURCE2 1 0.0000 0.0000
|
|
|
1848 cx-cx-cx 85.3 63.75 SOURCE2 11 6.2810 11.0052
|
|
|
1849 cx-cx-cy 67.5 100.53 SOURCE3 4 0.0000 0.0000
|
|
|
1850 cx-cx-f 64.7 117.25 SOURCE3 2 0.0000 0.0000
|
|
|
1851 cx-cx-h1 45.5 119.66 SOURCE3 12 0.2763 0.4529
|
|
|
1852 cx-cx-hc 45.8 117.92 SOURCE3 92 0.7174 1.1927
|
|
|
1853 cx-cx-n3 65.3 116.30 SOURCE2 1 0.0000 0.0000
|
|
|
1854 cx-cx-os 93.3 59.41 SOURCE3 4 0.0000 0.0000
|
|
|
1855 cy-cx-hc 44.0 125.43 SOURCE3 2 0.0000 0.0000
|
|
|
1856 f -cx-f 70.6 106.90 SOURCE2 2 1.4000 1.4000
|
|
|
1857 f -cx-h1 50.3 111.68 SOURCE3 1 0.0000 0.0000
|
|
|
1858 f -cx-hc 50.2 112.30 SOURCE2 1 0.0000 0.0000
|
|
|
1859 h1-cx-h1 38.4 115.45 SOURCE3 4 0.0168 0.0168
|
|
|
1860 h1-cx-os 50.0 115.17 SOURCE3 8 0.0226 0.0226
|
|
|
1861 h2-cx-h2 37.9 119.43 SOURCE3 1 0.0000 0.0000
|
|
|
1862 h2-cx-n2 47.6 117.18 SOURCE3 4 0.0000 0.0000
|
|
|
1863 hc-cx-hc 38.6 114.47 SOURCE3 19 0.2816 0.3295
|
|
|
1864 hc-cx-os 50.3 114.10 SOURCE2 1 0.0000 0.0000
|
|
|
1865 n -cx-oh 69.2 119.75 SOURCE3 2 0.0000 0.0000
|
|
|
1866 n -cx-os 91.6 65.98 SOURCE3 1 0.0000 0.0000
|
|
|
1867 n2-cx-n2 102.1 50.16 SOURCE3 1 0.0000 0.0000
|
|
|
1868 oh-cx-oh 76.7 107.85 SOURCE3 1 0.0000 0.0000
|
|
|
1869 oh-cx-os 71.6 118.12 SOURCE3 4 1.3581 1.3581
|
|
|
1870 os-cx-os 93.3 66.95 SOURCE3 1 0.0000 0.0000
|
|
|
1871 c -cy-cy 71.4 85.95 SOURCE3 4 2.1019 2.1019
|
|
|
1872 c -cy-hc 45.7 113.85 SOURCE3 8 0.2067 0.2067
|
|
|
1873 c -cy-os 74.7 88.50 SOURCE2 1 0.0000 0.0000
|
|
|
1874 c2-cy-cy 66.1 100.40 SOURCE2 1 0.0000 0.0000
|
|
|
1875 c3-cy-cy 62.0 114.15 SOURCE3 12 5.4760 6.0450
|
|
|
1876 c3-cy-h1 46.6 109.66 SOURCE3 2 0.0000 0.0000
|
|
|
1877 c3-cy-hc 46.2 111.55 SOURCE3 5 0.5021 0.6276
|
|
|
1878 c3-cy-n3 65.3 112.92 SOURCE3 2 0.0000 0.0000
|
|
|
1879 cl-cy-cy 57.6 112.00 SOURCE3 2 0.0000 0.0000
|
|
|
1880 cl-cy-h1 41.0 106.59 SOURCE3 1 0.0000 0.0000
|
|
|
1881 cl-cy-hc 39.6 114.00 SOURCE2 1 0.0000 0.0000
|
|
|
1882 cv-cy-cy 71.8 85.83 SOURCE3 2 0.0000 0.0000
|
|
|
1883 cv-cy-hc 45.8 115.88 SOURCE3 4 0.0000 0.0000
|
|
|
1884 cx-cy-cy 66.1 101.23 SOURCE3 4 0.0000 0.0000
|
|
|
1885 cx-cy-hc 45.3 118.30 SOURCE2 3 5.4000 5.7799
|
|
|
1886 cy-cy-cy 70.2 87.61 SOURCE3 32 1.1419 1.5407
|
|
|
1887 cy-cy-h1 44.9 114.84 SOURCE3 20 1.8317 2.5651
|
|
|
1888 cy-cy-hc 44.8 115.14 SOURCE3 114 0.7232 0.8364
|
|
|
1889 cy-cy-n 64.9 112.13 SOURCE3 31 1.0775 2.0700
|
|
|
1890 cy-cy-n3 73.5 87.58 SOURCE3 4 0.6135 0.6135
|
|
|
1891 cy-cy-oh 66.0 114.19 SOURCE3 4 0.0000 0.0000
|
|
|
1892 cy-cy-os 72.9 91.10 SOURCE3 4 0.4160 0.4160
|
|
|
1893 h1-cy-h1 39.0 109.72 SOURCE3 6 0.7518 0.8087
|
|
|
1894 h1-cy-n3 48.2 113.36 SOURCE3 6 1.3680 1.4509
|
|
|
1895 h1-cy-oh 50.9 111.49 SOURCE3 2 0.0000 0.0000
|
|
|
1896 h1-cy-os 49.7 110.94 SOURCE3 8 0.6521 0.6522
|
|
|
1897 hc-cy-hc 39.2 109.04 SOURCE3 28 0.4802 0.5962
|
|
|
1898 ca-i -cl 0.0 90.21 SOURCE3 2 0.0000 0.0000
|
|
|
1899 ca-i -o 0.0 97.08 SOURCE3 5 0.1786 0.2233
|
|
|
1900 cl-i -cl 0.0 179.58 SOURCE3 1 0.0000 0.0000
|
|
|
1901 br-n -br 66.6 116.20 SOURCE3 1 0.0000 0.0000
|
|
|
1902 br-n -c 61.9 120.77 SOURCE3 5 2.1068 2.6390
|
|
|
1903 br-n -ca 62.1 118.19 SOURCE0 1
|
|
|
1904 br-n -cd 62.3 118.19 SOURCE3 1 0.0000 0.0000
|
|
|
1905 br-n -cc 62.3 118.19 SOURCE3 1 same as br-n -cd
|
|
|
1906 c -n -c 67.4 119.63 SOURCE3 13 6.4901 7.0653
|
|
|
1907 c -n -c1 68.5 117.04 SOURCE3 1 0.0000 0.0000
|
|
|
1908 c -n -c2 65.1 122.15 SOURCE3 9 4.1277 5.1016
|
|
|
1909 c -n -c3 63.9 121.35 SOURCE3 54 1.7456 2.3808
|
|
|
1910 c -n -ca 64.3 123.71 SOURCE3 10 3.3441 3.8159
|
|
|
1911 c -n -cc 65.2 124.19 SOURCE3 57 1.8239 2.2262
|
|
|
1912 c -n -cd 65.2 124.19 SOURCE3 57 1.8239 2.2262
|
|
|
1913 c -n -cl 58.2 115.32 SOURCE3 3 0.5092 0.5401
|
|
|
1914 c -n -cx 65.9 112.77 SOURCE3 1 0.0000 0.0000
|
|
|
1915 c -n -f 68.3 108.63 SOURCE3 3 4.4109 4.6785
|
|
|
1916 c -n -hn 49.2 118.46 SOURCE3 157 1.8119 2.4094
|
|
|
1917 c -n -i 56.3 120.38 SOURCE3 5 1.6364 2.1600
|
|
|
1918 c -n -n 68.2 118.42 SOURCE3 10 2.3102 2.8922
|
|
|
1919 c -n -n2 68.1 120.59 SOURCE3 9 1.9051 3.2410
|
|
|
1920 c -n -n3 67.1 120.43 SOURCE3 5 0.9122 0.9481
|
|
|
1921 c -n -n4 68.8 112.32 SOURCE3 5 1.2355 1.2622
|
|
|
1922 c -n -na 68.2 119.20 SOURCE3 11 2.1211 2.3032
|
|
|
1923 c -n -nc 68.6 120.31 SOURCE3 4 1.9095 2.2197
|
|
|
1924 c -n -nd 68.6 120.31 SOURCE3 4 same as c -n -nc
|
|
|
1925 c -n -nh 68.0 117.06 SOURCE3 4 0.4170 0.4454
|
|
|
1926 c -n -no 66.5 118.16 SOURCE3 4 4.5037 5.4870
|
|
|
1927 c -n -o 71.6 118.90 SOURCE3 9 4.4216 5.4085
|
|
|
1928 c -n -oh 69.5 113.39 SOURCE3 6 1.2395 1.3345
|
|
|
1929 c -n -os 69.1 113.14 SOURCE3 7 2.9643 3.0839
|
|
|
1930 c -n -p2 76.5 124.56 SOURCE3 8 2.7083 3.6907
|
|
|
1931 c -n -p3 75.8 122.54 SOURCE3 9 3.4441 4.4802
|
|
|
1932 c -n -p4 76.8 123.44 SOURCE3 1 0.0000 0.0000
|
|
|
1933 c -n -p5 78.3 121.27 SOURCE3 4 2.2442 2.6505
|
|
|
1934 c -n -pc 77.0 122.23 SOURCE3 3 2.7141 2.8787
|
|
|
1935 c -n -pd 77.0 122.23 SOURCE3 3 same as c -n -pc
|
|
|
1936 c -n -s 59.0 126.55 SOURCE3 3 4.0857 4.3365
|
|
|
1937 c -n -s4 60.1 120.41 SOURCE3 4 2.6351 3.1760
|
|
|
1938 c -n -s6 61.7 119.57 SOURCE3 4 2.7801 3.2191
|
|
|
1939 c -n -sh 61.9 119.54 SOURCE3 4 1.5284 1.7681
|
|
|
1940 c -n -ss 62.0 120.37 SOURCE3 7 1.1024 1.4450
|
|
|
1941 c1-n -c1 73.5 102.69 SOURCE0 1
|
|
|
1942 c1-n -ca 65.9 118.88 SOURCE0 1
|
|
|
1943 c1-n -cd 67.0 118.88 SOURCE3 1 0.0000 0.0000
|
|
|
1944 c1-n -cc 67.0 118.88 SOURCE3 1 same as c1-n -cd
|
|
|
1945 c2-n -c2 65.2 116.75 SOURCE3 1 0.0000 0.0000
|
|
|
1946 c2-n -c3 62.1 123.87 SOURCE3 1 0.0000 0.0000
|
|
|
1947 c2-n -ca 64.9 116.54 SOURCE0 1
|
|
|
1948 c2-n -cd 65.9 116.54 SOURCE3 1 0.0000 0.0000
|
|
|
1949 c2-n -cc 65.9 116.54 SOURCE3 1 same as c2-n -cd
|
|
|
1950 c2-n -hn 47.4 117.86 SOURCE3 5 3.0657 3.7489
|
|
|
1951 c3-n -c3 64.0 112.62 SOURCE3 3 1.9371 2.0546
|
|
|
1952 c3-n -ca 62.4 121.15 SOURCE0 1
|
|
|
1953 c3-n -cc 63.3 121.17 SOURCE3 4 1.1758 1.2476
|
|
|
1954 c3-n -cd 63.3 121.17 SOURCE3 4 1.1758 1.2476
|
|
|
1955 c3-n -hn 46.0 116.78 SOURCE3 39 1.6197 2.1985
|
|
|
1956 ca-n -ca 64.5 116.80 SOURCE3 1 0.0000 0.0000
|
|
|
1957 ca-n -cd 65.0 118.42 SOURCE3 1 0.0000 0.0000
|
|
|
1958 ca-n -cc 65.0 118.42 SOURCE3 1 same as ca-n -cd
|
|
|
1959 ca-n -cl 56.9 117.72 SOURCE0 1
|
|
|
1960 ca-n -f 64.6 114.92 SOURCE0 1
|
|
|
1961 ca-n -hn 47.6 114.59 SOURCE3 4 0.3352 0.3353
|
|
|
1962 ca-n -i 56.6 119.30 SOURCE0 1
|
|
|
1963 ca-n -n2 66.8 118.25 SOURCE3 1 0.0000 0.0000
|
|
|
1964 ca-n -n4 64.1 122.98 SOURCE0 1
|
|
|
1965 ca-n -na 66.8 117.57 SOURCE0 1
|
|
|
1966 ca-n -nc 68.8 113.03 SOURCE0 1
|
|
|
1967 ca-n -nd 68.8 113.03 SOURCE0 1 same as ca-n -nc
|
|
|
1968 ca-n -nh 66.4 116.45 SOURCE0 1
|
|
|
1969 ca-n -p2 79.6 112.32 SOURCE0 1
|
|
|
1970 ca-n -p3 74.2 125.11 SOURCE0 1
|
|
|
1971 ca-n -s4 60.0 118.40 SOURCE0 1
|
|
|
1972 ca-n -s6 61.6 117.32 SOURCE0 1
|
|
|
1973 ca-n -ss 62.2 116.60 SOURCE0 1
|
|
|
1974 cc-n -cc 68.8 108.92 SOURCE3 11 0.2418 0.3167
|
|
|
1975 cd-n -cd 68.8 108.92 SOURCE3 11 same as cc-n -cc
|
|
|
1976 cc-n -hn 47.5 121.52 SOURCE3 4 1.9166 1.9166
|
|
|
1977 cd-n -hn 47.5 121.52 SOURCE3 4 1.9166 1.9166
|
|
|
1978 cc-n -nc 69.9 113.03 SOURCE3 1 0.0000 0.0000
|
|
|
1979 cd-n -nd 69.9 113.03 SOURCE3 1 same as cc-n -nc
|
|
|
1980 cd-n -cl 57.3 117.72 SOURCE3 1 0.0000 0.0000
|
|
|
1981 cc-n -cl 57.3 117.72 SOURCE3 1 same as cd-n -cl
|
|
|
1982 cd-n -f 65.6 114.92 SOURCE3 1 0.0000 0.0000
|
|
|
1983 cc-n -f 65.6 114.92 SOURCE3 1 same as cd-n -f
|
|
|
1984 cd-n -i 56.6 119.30 SOURCE3 1 0.0000 0.0000
|
|
|
1985 cc-n -i 56.6 119.30 SOURCE3 1 same as cd-n -i
|
|
|
1986 cd-n -n 66.5 121.37 SOURCE3 1 0.0000 0.0000
|
|
|
1987 cc-n -n 66.5 121.37 SOURCE3 1 same as cd-n -n
|
|
|
1988 cd-n -n2 70.1 110.87 SOURCE3 1 0.0000 0.0000
|
|
|
1989 cc-n -n2 70.1 110.87 SOURCE3 1 same as cd-n -n2
|
|
|
1990 cd-n -na 67.9 117.57 SOURCE3 1 0.0000 0.0000
|
|
|
1991 cc-n -na 67.9 117.57 SOURCE3 1 same as cd-n -na
|
|
|
1992 cd-n -nh 67.1 117.52 SOURCE3 1 0.0000 0.0000
|
|
|
1993 cc-n -nh 67.1 117.52 SOURCE3 1 same as cd-n -nh
|
|
|
1994 cd-n -no 66.4 115.92 SOURCE3 1 0.0000 0.0000
|
|
|
1995 cc-n -no 66.4 115.92 SOURCE3 1 same as cd-n -no
|
|
|
1996 cd-n -o 70.1 120.54 SOURCE3 1 0.0000 0.0000
|
|
|
1997 cc-n -o 70.1 120.54 SOURCE3 1 same as cd-n -o
|
|
|
1998 cd-n -oh 67.3 118.15 SOURCE3 1 0.0000 0.0000
|
|
|
1999 cc-n -oh 67.3 118.15 SOURCE3 1 same as cd-n -oh
|
|
|
2000 cd-n -os 67.6 115.56 SOURCE3 1 0.0000 0.0000
|
|
|
2001 cc-n -os 67.6 115.56 SOURCE3 1 same as cd-n -os
|
|
|
2002 cd-n -p2 80.2 112.32 SOURCE3 1 0.0000 0.0000
|
|
|
2003 cc-n -p2 80.2 112.32 SOURCE3 1 same as cd-n -p2
|
|
|
2004 cd-n -p3 74.7 125.11 SOURCE3 1 0.0000 0.0000
|
|
|
2005 cc-n -p3 74.7 125.11 SOURCE3 1 same as cd-n -p3
|
|
|
2006 cd-n -p5 77.9 121.00 SOURCE3 1 0.0000 0.0000
|
|
|
2007 cc-n -p5 77.9 121.00 SOURCE3 1 same as cd-n -p5
|
|
|
2008 cd-n -s 60.8 118.29 SOURCE3 1 0.0000 0.0000
|
|
|
2009 cc-n -s 60.8 118.29 SOURCE3 1 same as cd-n -s
|
|
|
2010 cd-n -s4 60.3 118.40 SOURCE3 1 0.0000 0.0000
|
|
|
2011 cc-n -s4 60.3 118.40 SOURCE3 1 same as cd-n -s4
|
|
|
2012 cd-n -s6 62.0 117.32 SOURCE3 1 0.0000 0.0000
|
|
|
2013 cc-n -s6 62.0 117.32 SOURCE3 1 same as cd-n -s6
|
|
|
2014 cd-n -sh 61.6 119.13 SOURCE3 1 0.0000 0.0000
|
|
|
2015 cc-n -sh 61.6 119.13 SOURCE3 1 same as cd-n -sh
|
|
|
2016 cd-n -ss 62.6 116.60 SOURCE3 2 1.8318 1.8318
|
|
|
2017 cc-n -ss 62.6 116.60 SOURCE3 2 same as cd-n -ss
|
|
|
2018 cl-n -cl 54.3 111.69 SOURCE3 1 0.0000 0.0000
|
|
|
2019 cx-n -os 95.6 54.04 SOURCE3 1 0.0000 0.0000
|
|
|
2020 f -n -f 67.9 102.98 SOURCE3 1 0.0000 0.0000
|
|
|
2021 hn-n -hn 39.7 117.85 SOURCE3 15 1.8879 2.3694
|
|
|
2022 hn-n -i 36.1 117.24 SOURCE3 2 0.4435 0.4435
|
|
|
2023 hn-n -n 50.1 113.12 SOURCE3 7 2.2740 3.2954
|
|
|
2024 hn-n -n2 49.6 118.33 SOURCE3 5 2.0148 2.2377
|
|
|
2025 hn-n -n3 49.3 114.33 SOURCE3 3 2.6378 2.7978
|
|
|
2026 hn-n -n4 48.9 112.68 SOURCE3 3 1.8617 1.9746
|
|
|
2027 hn-n -na 50.4 113.55 SOURCE3 8 1.7554 1.9324
|
|
|
2028 hn-n -nh 49.6 112.41 SOURCE3 1 0.0000 0.0000
|
|
|
2029 hn-n -no 48.7 110.11 SOURCE3 1 0.0000 0.0000
|
|
|
2030 hn-n -o 53.8 116.32 SOURCE3 2 0.0175 0.0175
|
|
|
2031 hn-n -oh 50.7 109.21 SOURCE3 3 0.2949 0.3165
|
|
|
2032 hn-n -os 50.1 108.90 SOURCE3 3 0.5220 0.5537
|
|
|
2033 hn-n -p2 52.5 118.05 SOURCE3 7 2.5423 3.0564
|
|
|
2034 hn-n -p3 50.9 119.63 SOURCE3 2 0.0000 0.0000
|
|
|
2035 hn-n -p4 53.0 115.71 SOURCE3 1 0.0000 0.0000
|
|
|
2036 hn-n -p5 53.6 116.26 SOURCE3 3 0.6453 0.6845
|
|
|
2037 hn-n -s 41.1 114.92 SOURCE3 2 0.0260 0.0260
|
|
|
2038 hn-n -s4 41.2 112.46 SOURCE3 1 0.0000 0.0000
|
|
|
2039 hn-n -s6 42.5 112.68 SOURCE3 1 0.0000 0.0000
|
|
|
2040 hn-n -sh 42.2 114.91 SOURCE3 1 0.0000 0.0000
|
|
|
2041 hn-n -ss 42.4 115.60 SOURCE3 3 0.6047 0.6414
|
|
|
2042 i -n -i 60.7 118.20 SOURCE3 1 0.0000 0.0000
|
|
|
2043 n -n -n 69.9 114.62 SOURCE3 1 0.0000 0.0000
|
|
|
2044 n2-n -n2 70.2 116.89 SOURCE3 1 0.0000 0.0000
|
|
|
2045 n3-n -n3 68.0 117.94 SOURCE3 1 0.0000 0.0000
|
|
|
2046 n4-n -n4 68.4 112.69 SOURCE3 1 0.0000 0.0000
|
|
|
2047 na-n -na 69.6 117.38 SOURCE3 1 0.0000 0.0000
|
|
|
2048 nc-n -nc 71.3 116.41 SOURCE3 1 0.0000 0.0000
|
|
|
2049 nd-n -nd 71.3 116.41 SOURCE3 1 same as nc-n -nc
|
|
|
2050 nc-n -p2 80.7 117.21 SOURCE0 1
|
|
|
2051 nd-n -p2 80.7 117.21 SOURCE0 1 same as nc-n -p2
|
|
|
2052 nc-n -pc 80.5 117.21 SOURCE3 1 0.0000 0.0000
|
|
|
2053 nd-n -pd 80.5 117.21 SOURCE3 1 same as nc-n -pc
|
|
|
2054 nh-n -nh 68.6 115.18 SOURCE3 1 0.0000 0.0000
|
|
|
2055 no-n -no 68.5 108.66 SOURCE3 1 0.0000 0.0000
|
|
|
2056 o -n -o 73.4 128.61 SOURCE3 3 1.0018 1.0626
|
|
|
2057 oh-n -oh 72.0 107.26 SOURCE3 1 0.0000 0.0000
|
|
|
2058 os-n -os 71.3 106.53 SOURCE3 1 0.0000 0.0000
|
|
|
2059 p2-n -p2 98.0 119.62 SOURCE0 1
|
|
|
2060 p3-n -p3 100.7 108.73 SOURCE3 3 0.2443 0.2591
|
|
|
2061 p4-n -p4 102.8 108.55 SOURCE0 1
|
|
|
2062 p5-n -p5 108.5 99.99 SOURCE0 1
|
|
|
2063 pc-n -pc 97.6 119.62 SOURCE3 1 0.0000 0.0000
|
|
|
2064 pd-n -pd 97.6 119.62 SOURCE3 1 same as pc-n -pc
|
|
|
2065 s -n -s 58.5 126.00 SOURCE0 1
|
|
|
2066 s4-n -s4 61.0 113.75 SOURCE3 1 0.0000 0.0000
|
|
|
2067 s6-n -s6 61.2 119.68 SOURCE3 1 0.0000 0.0000
|
|
|
2068 sh-n -sh 61.5 119.03 SOURCE3 1 0.0000 0.0000
|
|
|
2069 ss-n -ss 62.1 118.49 SOURCE3 1 0.0000 0.0000
|
|
|
2070 c2-n1-o 73.1 116.94 SOURCE3 2 0.0060 0.0060
|
|
|
2071 c2-n1-s 64.7 118.00 SOURCE3 2 0.0121 0.0121
|
|
|
2072 cf-n1-o 71.1 122.40 SOURCE3 1 0.0000 0.0000
|
|
|
2073 ce-n1-o 71.1 122.40 SOURCE3 1 same as cf-n1-o
|
|
|
2074 cf-n1-s 64.8 117.34 SOURCE3 1 0.0000 0.0000
|
|
|
2075 ce-n1-s 64.8 117.34 SOURCE3 1 same as cf-n1-s
|
|
|
2076 o -n1-p2 84.7 116.05 SOURCE3 1 0.0000 0.0000
|
|
|
2077 p2-n1-s 80.3 119.93 SOURCE3 1 0.0000 0.0000
|
|
|
2078 n1-n1-s 54.6 180.00 SOURCE3 1 0.0000 0.0000
|
|
|
2079 br-n2-br 63.9 106.60 SOURCE0 1
|
|
|
2080 br-n2-c2 59.1 112.40 SOURCE3 1 0.0000 0.0000
|
|
|
2081 br-n2-n2 61.1 110.42 SOURCE3 1 0.0000 0.0000
|
|
|
2082 br-n2-o 60.1 114.47 SOURCE3 1 0.0000 0.0000
|
|
|
2083 br-n2-p2 80.1 111.03 SOURCE3 1 0.0000 0.0000
|
|
|
2084 br-n2-s 62.4 115.78 SOURCE3 1 0.0000 0.0000
|
|
|
2085 c -n2-c 62.7 123.80 SOURCE0 1
|
|
|
2086 c -n2-c2 66.2 120.97 SOURCE0 1
|
|
|
2087 c -n2-ca 62.4 120.50 SOURCE0 1
|
|
|
2088 c1-n2-c1 74.4 121.10 SOURCE0 1
|
|
|
2089 c1-n2-c3 58.7 151.88 SOURCE3 4 13.3413 15.8282
|
|
|
2090 c1-n2-cl 55.4 118.80 SOURCE2 1 0.0000 0.0000
|
|
|
2091 c1-n2-hn 51.5 126.50 SOURCE2 3 6.6667 7.6267
|
|
|
2092 c1-n2-n2 76.8 113.40 SOURCE0 1
|
|
|
2093 c1-n2-o 79.2 113.59 SOURCE0 1
|
|
|
2094 c1-n2-p2 84.8 119.57 SOURCE0 1
|
|
|
2095 c1-n2-s 69.8 117.67 SOURCE0 1
|
|
|
2096 c2-n2-c2 70.8 118.18 SOURCE0 1
|
|
|
2097 c2-n2-c3 66.1 115.30 SOURCE3 8 2.6931 4.2940
|
|
|
2098 c2-n2-ca 65.0 119.94 SOURCE0 1
|
|
|
2099 c2-n2-cl 56.7 112.64 SOURCE3 1 0.0000 0.0000
|
|
|
2100 c2-n2-f 68.3 108.14 SOURCE3 1 0.0000 0.0000
|
|
|
2101 c2-n2-hn 52.6 110.33 SOURCE3 9 0.5299 0.6498
|
|
|
2102 c2-n2-i 51.9 114.74 SOURCE3 2 0.0139 0.0139
|
|
|
2103 c2-n2-n 70.4 117.24 SOURCE3 5 3.9916 5.0254
|
|
|
2104 c2-n2-n2 77.9 103.59 SOURCE3 2 0.0000 0.0000
|
|
|
2105 c2-n2-n3 71.3 118.14 SOURCE0 1
|
|
|
2106 c2-n2-n4 62.4 112.22 SOURCE3 3 0.0383 0.0406
|
|
|
2107 c2-n2-na 69.3 117.58 SOURCE3 8 1.3943 1.6671
|
|
|
2108 c2-n2-nh 70.7 117.61 SOURCE3 6 2.3364 3.2642
|
|
|
2109 c2-n2-no 64.2 111.54 SOURCE3 1 0.0000 0.0000
|
|
|
2110 c2-n2-o 75.5 116.94 SOURCE0 1
|
|
|
2111 c2-n2-oh 72.4 109.82 SOURCE3 4 0.5608 0.7131
|
|
|
2112 c2-n2-os 72.0 110.01 SOURCE3 5 3.1049 4.2241
|
|
|
2113 c2-n2-p2 85.0 116.00 SOURCE0 1
|
|
|
2114 c2-n2-p3 77.5 119.30 SOURCE3 3 2.6860 2.8489
|
|
|
2115 c2-n2-p4 79.3 118.77 SOURCE0 1
|
|
|
2116 c2-n2-s 68.7 118.00 SOURCE0 1
|
|
|
2117 c2-n2-s4 68.1 112.29 SOURCE0 1
|
|
|
2118 c2-n2-s6 69.4 116.24 SOURCE0 1
|
|
|
2119 c2-n2-sh 63.1 115.48 SOURCE3 1 0.0000 0.0000
|
|
|
2120 c2-n2-ss 65.0 118.04 SOURCE3 4 1.9749 2.2804
|
|
|
2121 c3-n2-c3 63.8 110.70 SOURCE0 1
|
|
|
2122 c3-n2-ca 60.6 123.20 SOURCE0 1
|
|
|
2123 c3-n2-hn 45.2 118.40 SOURCE0 1
|
|
|
2124 c3-n2-n1 68.9 115.38 SOURCE3 1 0.0000 0.0000
|
|
|
2125 c3-n2-n2 69.3 111.18 SOURCE3 7 0.3839 0.4349
|
|
|
2126 c3-n2-nh 68.1 109.99 SOURCE3 1 0.0000 0.0000
|
|
|
2127 c3-n2-o 70.3 112.40 SOURCE2 1 0.0000 0.0000
|
|
|
2128 c3-n2-p2 82.1 114.21 SOURCE3 2 2.2772 2.2772
|
|
|
2129 c3-n2-s 65.7 116.72 SOURCE3 1 0.0000 0.0000
|
|
|
2130 c3-n2-s6 66.7 113.84 SOURCE3 1 0.0000 0.0000
|
|
|
2131 ca-n2-ca 63.6 112.20 SOURCE0 1
|
|
|
2132 ca-n2-hn 45.1 120.00 SOURCE0 1
|
|
|
2133 ca-n2-n2 68.8 113.53 SOURCE0 1
|
|
|
2134 ca-n2-o 69.4 116.00 SOURCE2 1 0.0000 0.0000
|
|
|
2135 ca-n2-p2 80.9 118.11 SOURCE0 1
|
|
|
2136 ca-n2-s 64.9 120.11 SOURCE0 1
|
|
|
2137 cc-n2-hn 52.5 109.65 SOURCE3 3 0.0968 0.0968
|
|
|
2138 cd-n2-hn 52.5 109.65 SOURCE3 3 0.0968 0.0968
|
|
|
2139 cd-n2-cl 55.9 115.79 SOURCE3 1 0.0000 0.0000
|
|
|
2140 cc-n2-cl 55.9 115.79 SOURCE3 1 same as cd-n2-cl
|
|
|
2141 ce-n2-hn 53.9 106.50 SOURCE3 1 0.0000 0.0000
|
|
|
2142 cf-n2-hn 53.9 106.50 SOURCE3 1 same as ce-n2-hn
|
|
|
2143 ce-n2-nh 70.5 119.08 SOURCE3 2 0.0000 0.0000
|
|
|
2144 cf-n2-nh 70.5 119.08 SOURCE3 2 same as ce-n2-nh
|
|
|
2145 ce-n2-o 77.4 112.16 SOURCE0 1
|
|
|
2146 cf-n2-o 77.4 112.16 SOURCE0 1 same as ce-n2-o
|
|
|
2147 ce-n2-oh 72.6 109.87 SOURCE3 1 0.0000 0.0000
|
|
|
2148 cf-n2-oh 72.6 109.87 SOURCE3 1 same as ce-n2-oh
|
|
|
2149 ce-n2-s 69.3 116.28 SOURCE0 1
|
|
|
2150 cf-n2-s 69.3 116.28 SOURCE0 1 same as ce-n2-s
|
|
|
2151 cl-n2-n1 59.3 108.70 SOURCE2 1 0.0000 0.0000
|
|
|
2152 cl-n2-n2 58.7 110.47 SOURCE3 1 0.0000 0.0000
|
|
|
2153 cl-n2-o 58.2 114.03 SOURCE0 1
|
|
|
2154 cl-n2-p2 74.0 112.98 SOURCE3 1 0.0000 0.0000
|
|
|
2155 cl-n2-s 58.5 115.77 SOURCE3 1 0.0000 0.0000
|
|
|
2156 cx-n2-n2 90.5 64.92 SOURCE3 2 0.0000 0.0000
|
|
|
2157 f -n2-n2 68.3 114.60 SOURCE2 1 0.0000 0.0000
|
|
|
2158 f -n2-o 71.2 110.10 SOURCE2 1 0.0000 0.0000
|
|
|
2159 f -n2-p2 84.3 107.10 SOURCE3 1 0.0000 0.0000
|
|
|
2160 f -n2-s 67.1 110.73 SOURCE3 1 0.0000 0.0000
|
|
|
2161 hn-n2-hn 38.6 120.00 SOURCE0 1
|
|
|
2162 hn-n2-n1 55.3 114.10 SOURCE2 1 0.0000 0.0000
|
|
|
2163 hn-n2-n2 55.8 105.01 SOURCE3 19 1.1377 1.5183
|
|
|
2164 hn-n2-ne 54.7 108.56 SOURCE3 29 4.7084 5.5708
|
|
|
2165 hn-n2-nf 54.7 108.56 SOURCE3 29 same as hn-n2-ne
|
|
|
2166 hn-n2-o 57.6 107.37 SOURCE3 1 0.0000 0.0000
|
|
|
2167 hn-n2-p2 58.6 112.09 SOURCE3 18 3.1633 4.0663
|
|
|
2168 hn-n2-p4 54.5 111.33 SOURCE3 1 0.0000 0.0000
|
|
|
2169 hn-n2-p5 56.3 122.34 SOURCE3 1 0.0000 0.0000
|
|
|
2170 hn-n2-pe 61.3 111.41 SOURCE3 20 3.8728 4.9895
|
|
|
2171 hn-n2-pf 61.3 111.41 SOURCE3 20 same as hn-n2-pe
|
|
|
2172 hn-n2-s 49.1 108.17 SOURCE3 1 0.0000 0.0000
|
|
|
2173 hn-n2-s2 48.3 115.80 SOURCE2 1 0.0000 0.0000
|
|
|
2174 hn-n2-s4 46.3 111.21 SOURCE3 1 0.0000 0.0000
|
|
|
2175 hn-n2-s6 48.4 112.59 SOURCE3 2 0.0000 0.0000
|
|
|
2176 i -n2-n2 53.7 111.79 SOURCE3 1 0.0000 0.0000
|
|
|
2177 i -n2-o 52.3 116.82 SOURCE3 1 0.0000 0.0000
|
|
|
2178 i -n2-p2 72.3 113.26 SOURCE3 1 0.0000 0.0000
|
|
|
2179 i -n2-s 56.3 116.85 SOURCE3 1 0.0000 0.0000
|
|
|
2180 n -n2-n2 74.7 110.42 SOURCE3 1 0.0000 0.0000
|
|
|
2181 n -n2-o 76.2 111.38 SOURCE3 1 0.0000 0.0000
|
|
|
2182 n -n2-p2 85.2 117.30 SOURCE3 1 0.0000 0.0000
|
|
|
2183 n -n2-s 69.6 115.74 SOURCE3 1 0.0000 0.0000
|
|
|
2184 n2-n2-n1 79.0 180.00 dac: for azides
|
|
|
2185 n2-n2-n2 78.2 109.49 SOURCE3 2 0.0000 0.0000
|
|
|
2186 n2-n2-n3 76.6 108.88 SOURCE0 1
|
|
|
2187 n2-n2-n4 65.8 106.45 SOURCE3 1 0.0000 0.0000
|
|
|
2188 n2-n2-na 73.1 112.23 SOURCE0 1
|
|
|
2189 n2-n2-nh 74.8 111.70 SOURCE3 5 0.2774 0.3475
|
|
|
2190 n2-n2-no 67.7 105.97 SOURCE3 1 0.0000 0.0000
|
|
|
2191 n2-n2-o 80.2 110.43 SOURCE0 1
|
|
|
2192 n2-n2-oh 74.0 111.51 SOURCE3 1 0.0000 0.0000
|
|
|
2193 n2-n2-os 74.7 108.38 SOURCE3 1 0.0000 0.0000
|
|
|
2194 n2-n2-p2 90.1 109.15 SOURCE0 1
|
|
|
2195 n2-n2-p3 81.7 113.05 SOURCE3 1 0.0000 0.0000
|
|
|
2196 n2-n2-p4 81.4 118.77 SOURCE0 1
|
|
|
2197 n2-n2-p5 89.8 110.46 SOURCE0 1
|
|
|
2198 n2-n2-s 71.2 115.91 SOURCE0 1
|
|
|
2199 n2-n2-s4 71.6 107.30 SOURCE0 1
|
|
|
2200 n2-n2-s6 73.0 111.25 SOURCE0 1
|
|
|
2201 n2-n2-sh 66.0 111.10 SOURCE3 1 0.0000 0.0000
|
|
|
2202 n2-n2-ss 68.5 112.14 SOURCE3 1 0.0000 0.0000
|
|
|
2203 n3-n2-n3 73.0 115.07 SOURCE0 1
|
|
|
2204 n3-n2-o 76.9 114.00 SOURCE2 1 0.0000 0.0000
|
|
|
2205 n3-n2-p2 86.7 115.34 SOURCE0 1
|
|
|
2206 n3-n2-s 70.0 117.13 SOURCE0 1
|
|
|
2207 n4-n2-n4 60.0 106.70 SOURCE0 1
|
|
|
2208 n4-n2-o 64.9 112.20 SOURCE3 1 0.0000 0.0000
|
|
|
2209 n4-n2-p2 79.5 113.07 SOURCE3 1 0.0000 0.0000
|
|
|
2210 n4-n2-s 62.4 118.50 SOURCE3 1 0.0000 0.0000
|
|
|
2211 na-n2-na 71.7 107.00 SOURCE0 1
|
|
|
2212 na-n2-o 74.5 113.09 SOURCE3 1 0.0000 0.0000
|
|
|
2213 na-n2-p2 83.9 119.16 SOURCE3 1 0.0000 0.0000
|
|
|
2214 na-n2-s 68.3 118.26 SOURCE3 1 0.0000 0.0000
|
|
|
2215 ne-n2-nh 74.7 111.38 SOURCE3 1 0.0000 0.0000
|
|
|
2216 nf-n2-nh 74.7 111.38 SOURCE3 1 same as ne-n2-nh
|
|
|
2217 ne-n2-o 80.0 110.31 SOURCE0 1
|
|
|
2218 nf-n2-o 80.0 110.31 SOURCE0 1 same as ne-n2-o
|
|
|
2219 ne-n2-s 71.0 116.22 SOURCE0 1
|
|
|
2220 nf-n2-s 71.0 116.22 SOURCE0 1 same as ne-n2-s
|
|
|
2221 nh-n2-nh 69.7 121.20 SOURCE0 1
|
|
|
2222 nh-n2-o 76.2 112.96 SOURCE3 3 0.2935 0.3515
|
|
|
2223 nh-n2-p2 84.9 118.83 SOURCE3 2 0.1024 0.1024
|
|
|
2224 nh-n2-s 69.6 116.90 SOURCE3 2 0.2276 0.2276
|
|
|
2225 no-n2-no 62.8 103.70 SOURCE0 1
|
|
|
2226 no-n2-o 70.4 100.76 SOURCE3 1 0.0000 0.0000
|
|
|
2227 no-n2-p2 81.3 111.95 SOURCE3 1 0.0000 0.0000
|
|
|
2228 o -n2-o 81.0 115.37 SOURCE0 1
|
|
|
2229 o -n2-oh 75.6 112.15 SOURCE2 2 1.4500 1.4500
|
|
|
2230 o -n2-os 75.7 110.35 SOURCE3 2 0.0042 0.0042
|
|
|
2231 o -n2-p2 88.7 116.08 SOURCE0 1
|
|
|
2232 o -n2-p3 82.4 113.43 SOURCE3 1 0.0000 0.0000
|
|
|
2233 o -n2-p4 85.2 110.61 SOURCE0 1
|
|
|
2234 o -n2-p5 91.7 109.11 SOURCE0 1
|
|
|
2235 o -n2-pe 85.2 134.56 SOURCE0 1
|
|
|
2236 o -n2-pf 85.2 134.56 SOURCE0 1 same as o -n2-pe
|
|
|
2237 o -n2-s 72.1 117.18 SOURCE0 1
|
|
|
2238 o -n2-s4 72.1 108.91 SOURCE0 1
|
|
|
2239 o -n2-s6 74.3 111.34 SOURCE0 1
|
|
|
2240 o -n2-sh 65.6 114.98 SOURCE3 1 0.0000 0.0000
|
|
|
2241 o -n2-ss 68.4 115.34 SOURCE3 1 0.0000 0.0000
|
|
|
2242 oh-n2-oh 74.8 101.70 SOURCE0 1
|
|
|
2243 oh-n2-p2 86.1 115.11 SOURCE3 1 0.0000 0.0000
|
|
|
2244 oh-n2-s 69.5 116.08 SOURCE3 1 0.0000 0.0000
|
|
|
2245 os-n2-os 71.3 110.29 SOURCE0 1
|
|
|
2246 os-n2-p2 87.7 110.20 SOURCE3 1 0.0000 0.0000
|
|
|
2247 os-n2-s 70.5 112.23 SOURCE3 1 0.0000 0.0000
|
|
|
2248 p2-n2-p2 107.1 116.80 SOURCE0 1
|
|
|
2249 p2-n2-p3 98.4 124.48 SOURCE3 1 0.0000 0.0000
|
|
|
2250 p2-n2-p4 98.3 128.37 SOURCE0 1
|
|
|
2251 p2-n2-p5 104.4 123.47 SOURCE0 1
|
|
|
2252 p2-n2-s 85.9 117.84 SOURCE0 1
|
|
|
2253 p2-n2-s4 86.3 112.10 SOURCE0 1
|
|
|
2254 p2-n2-s6 86.9 115.70 SOURCE0 1
|
|
|
2255 p2-n2-sh 80.4 118.45 SOURCE3 1 0.0000 0.0000
|
|
|
2256 p2-n2-ss 82.0 120.43 SOURCE3 1 0.0000 0.0000
|
|
|
2257 p3-n2-p3 96.0 120.40 SOURCE0 1
|
|
|
2258 p3-n2-s 80.1 120.86 SOURCE3 1 0.0000 0.0000
|
|
|
2259 p4-n2-s 77.8 131.84 SOURCE0 1
|
|
|
2260 p5-n2-p5 105.8 120.60 SOURCE0 1
|
|
|
2261 p5-n2-s 85.3 119.89 SOURCE0 1
|
|
|
2262 pe-n2-s 88.6 115.73 SOURCE0 1
|
|
|
2263 pf-n2-s 88.6 115.73 SOURCE0 1 same as pe-n2-s
|
|
|
2264 s -n2-s 68.5 120.88 SOURCE0 1
|
|
|
2265 s -n2-s4 69.2 113.00 SOURCE0 1
|
|
|
2266 s -n2-s6 69.0 119.61 SOURCE0 1
|
|
|
2267 s -n2-sh 63.6 122.05 SOURCE3 1 0.0000 0.0000
|
|
|
2268 s -n2-ss 66.6 118.19 SOURCE3 1 0.0000 0.0000
|
|
|
2269 s4-n2-s4 66.0 119.18 SOURCE0 1
|
|
|
2270 s4-n2-s6 67.5 119.18 SOURCE0 1
|
|
|
2271 s6-n2-s6 69.3 119.18 SOURCE0 1
|
|
|
2272 sh-n2-sh 60.0 123.93 SOURCE0 1
|
|
|
2273 sh-n2-ss 61.3 123.93 SOURCE0 1
|
|
|
2274 ss-n2-ss 62.9 123.93 SOURCE0 1
|
|
|
2275 br-n3-br 66.5 107.15 SOURCE3 1 0.0000 0.0000
|
|
|
2276 br-n3-c3 62.7 106.93 SOURCE3 2 0.0000 0.0000
|
|
|
2277 c -n3-c 63.1 127.17 SOURCE0 1
|
|
|
2278 c1-n3-c1 64.1 123.34 SOURCE0 1
|
|
|
2279 c1-n3-f 68.2 104.70 SOURCE2 1 0.0000 0.0000
|
|
|
2280 c1-n3-hn 47.7 118.31 SOURCE0 1
|
|
|
2281 c1-n3-o 70.0 116.63 SOURCE0 1
|
|
|
2282 c2-n3-c2 66.2 124.68 SOURCE0 1
|
|
|
2283 c2-n3-hn 49.1 119.38 SOURCE0 1
|
|
|
2284 c3-n3-c3 64.0 110.90 SOURCE3 40 1.6285 2.3048
|
|
|
2285 c3-n3-ca 16.9 116.39 SOURCE0 1
|
|
|
2286 c3-n3-cl 58.1 107.23 SOURCE3 3 0.3463 0.3673
|
|
|
2287 c3-n3-cy 61.2 120.16 SOURCE3 2 0.0000 0.0000
|
|
|
2288 c3-n3-f 66.8 103.13 SOURCE3 2 0.0000 0.0000
|
|
|
2289 c3-n3-hn 47.1 109.92 SOURCE3 120 1.5757 2.2590
|
|
|
2290 c3-n3-i 57.0 108.48 SOURCE3 2 0.0000 0.0000
|
|
|
2291 c3-n3-n 67.2 109.97 SOURCE3 2 0.0000 0.0000
|
|
|
2292 c3-n3-n2 66.2 118.75 SOURCE2 2 2.6500 2.6500
|
|
|
2293 c3-n3-n3 66.8 108.15 SOURCE3 15 1.0563 1.3999
|
|
|
2294 c3-n3-n4 67.2 109.65 SOURCE3 3 0.1080 0.1146
|
|
|
2295 c3-n3-nh 67.4 108.44 SOURCE3 1 0.0000 0.0000
|
|
|
2296 c3-n3-no 66.0 111.27 SOURCE3 1 0.0000 0.0000
|
|
|
2297 c3-n3-o 68.7 113.31 SOURCE3 5 8.7272 8.9081
|
|
|
2298 c3-n3-oh 68.9 106.62 SOURCE3 4 0.1844 0.2167
|
|
|
2299 c3-n3-os 68.2 105.73 SOURCE3 4 0.3563 0.3760
|
|
|
2300 c3-n3-p3 75.8 121.93 SOURCE3 3 5.2806 5.6009
|
|
|
2301 c3-n3-p5 78.7 119.35 SOURCE3 4 0.9279 0.9604
|
|
|
2302 c3-n3-s 61.5 110.02 SOURCE3 1 0.0000 0.0000
|
|
|
2303 c3-n3-s4 61.4 112.91 SOURCE3 3 0.8469 0.8983
|
|
|
2304 c3-n3-s6 63.9 115.81 SOURCE3 3 0.5687 0.6032
|
|
|
2305 c3-n3-sh 62.1 112.70 SOURCE3 1 0.0000 0.0000
|
|
|
2306 c3-n3-ss 61.6 116.01 SOURCE3 3 1.1261 1.1944
|
|
|
2307 cl-n3-cl 53.8 108.28 SOURCE3 1 0.0000 0.0000
|
|
|
2308 cl-n3-hn 39.9 104.39 SOURCE3 2 0.0000 0.0000
|
|
|
2309 cl-n3-n3 59.6 107.65 SOURCE3 1 0.0000 0.0000
|
|
|
2310 cy-n3-cy 70.5 89.57 SOURCE3 2 0.2809 0.2809
|
|
|
2311 cy-n3-hn 45.7 114.80 SOURCE3 2 0.0000 0.0000
|
|
|
2312 f -n3-f 67.7 102.22 SOURCE2 4 0.6250 0.7562
|
|
|
2313 f -n3-hn 50.8 99.80 SOURCE2 1 0.0000 0.0000
|
|
|
2314 hn-n3-hn 41.3 107.13 SOURCE3 44 1.2683 1.9687
|
|
|
2315 hn-n3-i 35.4 109.98 SOURCE3 2 0.0000 0.0000
|
|
|
2316 hn-n3-n 51.0 106.57 SOURCE3 6 1.0152 1.0767
|
|
|
2317 hn-n3-n2 51.4 115.94 SOURCE0 1
|
|
|
2318 hn-n3-n3 50.2 103.98 SOURCE3 18 1.2193 1.8593
|
|
|
2319 hn-n3-n4 50.9 106.40 SOURCE3 5 0.5735 0.5863
|
|
|
2320 hn-n3-na 50.3 107.89 SOURCE0 1
|
|
|
2321 hn-n3-nh 50.4 107.39 SOURCE3 11 1.2116 1.6294
|
|
|
2322 hn-n3-no 50.3 104.78 SOURCE3 3 1.0489 1.1126
|
|
|
2323 hn-n3-o 53.1 113.32 SOURCE3 3 4.1430 4.3945
|
|
|
2324 hn-n3-oh 53.1 101.11 SOURCE3 4 0.9921 0.9921
|
|
|
2325 hn-n3-os 51.7 100.92 SOURCE3 6 0.6490 0.7295
|
|
|
2326 hn-n3-p2 54.2 120.26 SOURCE0 1
|
|
|
2327 hn-n3-p3 52.9 116.89 SOURCE3 9 3.4043 3.8816
|
|
|
2328 hn-n3-p4 55.0 113.05 SOURCE3 2 0.0000 0.0000
|
|
|
2329 hn-n3-p5 56.0 113.68 SOURCE3 6 1.9887 2.1781
|
|
|
2330 hn-n3-s 41.5 109.47 SOURCE0 1
|
|
|
2331 hn-n3-s4 42.5 108.93 SOURCE3 7 1.5575 1.7819
|
|
|
2332 hn-n3-s6 45.4 112.52 SOURCE3 9 3.3273 3.7049
|
|
|
2333 hn-n3-sh 43.1 108.67 SOURCE3 3 2.3593 2.5025
|
|
|
2334 hn-n3-ss 43.4 109.85 SOURCE3 5 1.8572 2.3215
|
|
|
2335 i -n3-i 60.0 111.27 SOURCE3 1 0.0000 0.0000
|
|
|
2336 n -n3-n 70.3 110.55 SOURCE3 1 0.0000 0.0000
|
|
|
2337 n2-n3-n2 71.8 118.73 SOURCE0 1
|
|
|
2338 n2-n3-o 74.1 114.91 SOURCE0 1
|
|
|
2339 n3-n3-n3 69.6 105.71 SOURCE3 3 0.3357 0.3561
|
|
|
2340 n4-n3-n4 69.0 113.48 SOURCE3 1 0.0000 0.0000
|
|
|
2341 n4-n3-nh 70.9 107.14 SOURCE0 1
|
|
|
2342 na-n3-na 69.2 112.00 SOURCE0 1
|
|
|
2343 nh-n3-nh 70.8 107.15 SOURCE3 1 0.0000 0.0000
|
|
|
2344 no-n3-no 67.0 115.26 SOURCE3 1 0.0000 0.0000
|
|
|
2345 o -n3-o 71.9 126.14 SOURCE0 1
|
|
|
2346 o -n3-p2 84.3 117.02 SOURCE0 1
|
|
|
2347 o -n3-p4 83.4 116.65 SOURCE0 1
|
|
|
2348 o -n3-s 62.0 119.81 SOURCE0 1
|
|
|
2349 o -n3-s4 64.6 114.09 SOURCE0 1
|
|
|
2350 o -n3-s6 68.8 113.80 SOURCE0 1
|
|
|
2351 oh-n3-oh 72.8 107.18 SOURCE3 1 0.0000 0.0000
|
|
|
2352 os-n3-os 70.8 106.52 SOURCE3 1 0.0000 0.0000
|
|
|
2353 p2-n3-p2 97.5 130.13 SOURCE0 1
|
|
|
2354 p3-n3-p3 98.6 118.74 SOURCE3 3 3.1825 3.3755
|
|
|
2355 p4-n3-p4 101.5 116.35 SOURCE0 1
|
|
|
2356 p5-n3-p5 102.2 119.42 SOURCE3 1 0.0000 0.0000
|
|
|
2357 s -n3-s 56.5 131.36 SOURCE3 1 0.0000 0.0000
|
|
|
2358 s4-n3-s4 60.1 120.02 SOURCE3 1 0.0000 0.0000
|
|
|
2359 s4-n3-s6 62.0 120.95 SOURCE0 1
|
|
|
2360 s6-n3-s6 63.3 126.13 SOURCE3 1 0.0000 0.0000
|
|
|
2361 sh-n3-sh 61.2 118.63 SOURCE3 1 0.0000 0.0000
|
|
|
2362 sh-n3-ss 61.3 119.67 SOURCE0 1
|
|
|
2363 ss-n3-ss 61.6 119.57 SOURCE3 1 0.0000 0.0000
|
|
|
2364 br-n4-br 65.1 114.82 SOURCE3 1 0.0000 0.0000
|
|
|
2365 br-n4-hn 41.4 108.44 SOURCE3 7 0.5572 0.5630
|
|
|
2366 c -n4-c 61.5 108.61 SOURCE3 1 0.0000 0.0000
|
|
|
2367 c -n4-hn 44.7 110.86 SOURCE3 10 0.9869 1.0073
|
|
|
2368 c1-n4-c1 65.5 113.87 SOURCE3 1 0.0000 0.0000
|
|
|
2369 c1-n4-hn 48.6 110.19 SOURCE3 7 1.0735 1.0847
|
|
|
2370 c2-n4-c2 63.0 112.58 SOURCE3 1 0.0000 0.0000
|
|
|
2371 c2-n4-h4 11.3 112.46 SOURCE0 1
|
|
|
2372 c2-n4-hn 46.4 111.36 SOURCE3 13 1.1254 1.2672
|
|
|
2373 c3-n4-c3 62.8 110.64 SOURCE3 13 1.0808 1.3060
|
|
|
2374 c3-n4-ca 63.0 112.41 SOURCE3 2 0.0000 0.0000
|
|
|
2375 c3-n4-cl 57.9 108.04 SOURCE3 3 0.0000 0.0000
|
|
|
2376 c3-n4-hn 46.2 110.11 SOURCE3 100 1.0473 1.3136
|
|
|
2377 c3-n4-n3 66.7 108.72 SOURCE3 2 0.0000 0.0000
|
|
|
2378 c3-n4-n4 63.7 114.07 SOURCE3 4 0.0000 0.0000
|
|
|
2379 c3-n4-nh 64.8 111.73 SOURCE3 1 0.0000 0.0000
|
|
|
2380 c3-n4-no 65.2 109.08 SOURCE3 1 0.0000 0.0000
|
|
|
2381 c3-n4-o 67.3 111.66 SOURCE3 1 0.0000 0.0000
|
|
|
2382 c3-n4-oh 65.9 113.73 SOURCE3 1 0.0000 0.0000
|
|
|
2383 c3-n4-os 67.4 107.42 SOURCE3 3 3.3865 3.5920
|
|
|
2384 c3-n4-p2 71.9 112.52 SOURCE3 1 0.0000 0.0000
|
|
|
2385 c3-n4-p3 74.4 110.73 SOURCE3 3 1.9878 2.1084
|
|
|
2386 c3-n4-p5 75.1 113.22 SOURCE3 3 0.3791 0.4021
|
|
|
2387 c3-n4-s 59.2 113.55 SOURCE3 1 0.0000 0.0000
|
|
|
2388 c3-n4-s4 57.2 108.23 SOURCE3 3 0.3955 0.4195
|
|
|
2389 c3-n4-s6 57.7 111.56 SOURCE3 3 1.7773 1.8851
|
|
|
2390 c3-n4-sh 59.1 115.81 SOURCE3 1 0.0000 0.0000
|
|
|
2391 c3-n4-ss 59.7 113.68 SOURCE3 3 1.0752 1.1405
|
|
|
2392 ca-n4-ca 63.2 114.48 SOURCE3 1 0.0000 0.0000
|
|
|
2393 ca-n4-hn 47.5 108.52 SOURCE3 5 0.9354 1.1693
|
|
|
2394 cl-n4-cl 52.7 114.91 SOURCE3 1 0.0000 0.0000
|
|
|
2395 cl-n4-hn 39.5 108.87 SOURCE3 7 0.7640 0.7719
|
|
|
2396 f -n4-f 70.5 109.05 SOURCE3 1 0.0000 0.0000
|
|
|
2397 f -n4-hn 51.7 108.39 SOURCE3 4 0.0000 0.0000
|
|
|
2398 hn-n4-hn 40.5 108.11 SOURCE3 208 1.1062 1.4126
|
|
|
2399 hn-n4-i 36.4 108.72 SOURCE3 7 1.2587 1.2717
|
|
|
2400 hn-n4-n 49.6 109.08 SOURCE3 13 1.3969 1.6047
|
|
|
2401 hn-n4-n2 42.3 109.68 SOURCE3 19 0.4842 0.6266
|
|
|
2402 hn-n4-n3 49.9 110.40 SOURCE3 11 0.6778 0.7307
|
|
|
2403 hn-n4-n4 48.1 108.66 SOURCE3 18 1.2886 1.2967
|
|
|
2404 hn-n4-na 49.4 109.38 SOURCE3 25 0.9072 1.0758
|
|
|
2405 hn-n4-nh 48.4 109.92 SOURCE3 12 0.5359 0.7304
|
|
|
2406 hn-n4-no 49.2 104.38 SOURCE3 2 0.0000 0.0000
|
|
|
2407 hn-n4-o 52.1 109.26 SOURCE3 6 1.9991 2.1203
|
|
|
2408 hn-n4-oh 51.1 108.09 SOURCE3 6 1.5771 1.6728
|
|
|
2409 hn-n4-os 50.2 109.39 SOURCE3 10 1.1420 1.4403
|
|
|
2410 hn-n4-p2 47.7 110.50 SOURCE3 25 1.0144 1.0664
|
|
|
2411 hn-n4-p3 49.7 109.89 SOURCE3 10 2.2397 2.3870
|
|
|
2412 hn-n4-p4 47.7 111.33 SOURCE3 3 0.0000 0.0000
|
|
|
2413 hn-n4-p5 51.3 110.00 SOURCE3 10 0.8162 1.0282
|
|
|
2414 hn-n4-py 47.4 117.89 SOURCE3 8 0.0000 0.0000
|
|
|
2415 hn-n4-s 41.1 106.89 SOURCE3 6 1.0159 1.0775
|
|
|
2416 hn-n4-s4 37.1 110.10 SOURCE3 6 0.7986 0.8471
|
|
|
2417 hn-n4-s6 38.6 108.94 SOURCE3 10 0.5598 0.5715
|
|
|
2418 hn-n4-sh 41.3 108.56 SOURCE3 6 0.8047 0.8535
|
|
|
2419 hn-n4-ss 41.1 109.17 SOURCE3 10 0.6521 0.8455
|
|
|
2420 i -n4-i 59.0 118.49 SOURCE3 1 0.0000 0.0000
|
|
|
2421 n -n4-n 66.7 118.62 SOURCE3 1 0.0000 0.0000
|
|
|
2422 n2-n4-n2 59.4 108.64 SOURCE3 1 0.0000 0.0000
|
|
|
2423 n3-n4-n3 69.8 111.07 SOURCE3 1 0.0000 0.0000
|
|
|
2424 n4-n4-n4 65.2 115.49 SOURCE3 1 0.0000 0.0000
|
|
|
2425 na-n4-na 66.3 119.60 SOURCE3 1 0.0000 0.0000
|
|
|
2426 nh-n4-nh 67.8 109.38 SOURCE3 1 0.0000 0.0000
|
|
|
2427 o -n4-o 70.3 120.97 SOURCE3 1 0.0000 0.0000
|
|
|
2428 oh-n4-oh 72.2 108.19 SOURCE3 1 0.0000 0.0000
|
|
|
2429 os-n4-os 72.5 104.40 SOURCE3 1 0.0000 0.0000
|
|
|
2430 p2-n4-p2 89.6 113.91 SOURCE3 2 0.0000 0.0000
|
|
|
2431 p3-n4-p3 89.7 121.38 SOURCE3 1 0.0000 0.0000
|
|
|
2432 p5-n4-p5 98.1 107.02 SOURCE3 1 0.0000 0.0000
|
|
|
2433 py-n4-py 116.9 69.79 SOURCE3 2 0.0000 0.0000
|
|
|
2434 s -n4-s 56.7 124.55 SOURCE3 1 0.0000 0.0000
|
|
|
2435 s4-n4-s4 54.8 115.43 SOURCE0 1
|
|
|
2436 s6-n4-s6 57.9 109.51 SOURCE3 1 0.0000 0.0000
|
|
|
2437 sh-n4-sh 60.4 112.59 SOURCE3 1 0.0000 0.0000
|
|
|
2438 ss-n4-ss 61.3 109.20 SOURCE3 1 0.0000 0.0000
|
|
|
2439 br-na-br 60.6 123.00 SOURCE0 1
|
|
|
2440 br-na-c2 63.6 100.48 SOURCE3 2 1.0536 1.0536
|
|
|
2441 br-na-ca 57.1 124.81 SOURCE0 1
|
|
|
2442 br-na-cc 57.2 124.62 SOURCE3 3 0.5042 0.5348
|
|
|
2443 br-na-cd 57.2 124.62 SOURCE3 3 same as br-na-cc
|
|
|
2444 br-na-nc 59.9 119.42 SOURCE3 4 1.3872 1.6703
|
|
|
2445 br-na-nd 59.9 119.42 SOURCE3 4 same as br-na-nc
|
|
|
2446 br-na-os 63.9 104.99 SOURCE3 1 0.0000 0.0000
|
|
|
2447 br-na-p2 75.9 121.01 SOURCE0 1
|
|
|
2448 br-na-pc 76.4 120.26 SOURCE3 3 2.0229 2.1456
|
|
|
2449 br-na-pd 76.4 120.26 SOURCE3 3 same as br-na-pc
|
|
|
2450 br-na-ss 62.5 112.28 SOURCE3 1 0.0000 0.0000
|
|
|
2451 c -na-c 64.7 126.40 SOURCE0 1
|
|
|
2452 c -na-c2 64.3 125.09 SOURCE0 1
|
|
|
2453 c -na-c3 64.7 117.60 SOURCE0 1
|
|
|
2454 c -na-ca 65.3 125.20 SOURCE0 1
|
|
|
2455 c -na-hn 48.8 118.00 SOURCE0 1
|
|
|
2456 c -na-n 66.3 124.66 SOURCE0 1
|
|
|
2457 c1-na-c1 67.2 117.20 SOURCE0 1
|
|
|
2458 c1-na-c2 64.3 125.20 SOURCE0 1
|
|
|
2459 c1-na-ca 66.5 120.57 SOURCE0 1
|
|
|
2460 c1-na-cc 65.8 121.35 SOURCE3 6 0.6144 0.6517
|
|
|
2461 c1-na-cd 65.8 121.35 SOURCE3 6 0.6144 0.6517
|
|
|
2462 c1-na-nc 68.3 120.24 SOURCE3 4 1.3854 1.6849
|
|
|
2463 c1-na-nd 68.3 120.24 SOURCE3 4 same as c1-na-nc
|
|
|
2464 c1-na-os 70.2 106.96 SOURCE3 2 0.0000 0.0000
|
|
|
2465 c1-na-p2 76.5 122.25 SOURCE0 1
|
|
|
2466 c1-na-pc 77.3 121.48 SOURCE3 3 2.0441 2.1681
|
|
|
2467 c1-na-pd 77.3 121.48 SOURCE3 3 same as c1-na-pc
|
|
|
2468 c1-na-ss 61.9 118.30 SOURCE3 1 0.0000 0.0000
|
|
|
2469 c2-na-c2 67.8 110.37 SOURCE3 6 0.4285 0.5121
|
|
|
2470 c2-na-c3 64.2 117.20 SOURCE3 2 0.0000 0.0000
|
|
|
2471 c2-na-ca 66.2 119.26 SOURCE3 2 5.6375 5.6375
|
|
|
2472 c2-na-cc 64.0 125.75 SOURCE3 10 1.1039 1.5856
|
|
|
2473 c2-na-cd 64.0 125.75 SOURCE3 10 1.1039 1.5856
|
|
|
2474 c2-na-cl 58.8 101.01 SOURCE3 2 1.5799 1.5799
|
|
|
2475 c2-na-f 68.6 103.11 SOURCE3 1 0.0000 0.0000
|
|
|
2476 c2-na-hn 47.6 119.28 SOURCE3 14 6.5120 6.6027
|
|
|
2477 c2-na-i 59.0 106.74 SOURCE3 1 0.0000 0.0000
|
|
|
2478 c2-na-n 65.6 124.70 SOURCE0 1
|
|
|
2479 c2-na-n2 65.0 125.00 SOURCE0 1
|
|
|
2480 c2-na-n3 64.6 124.80 SOURCE0 1
|
|
|
2481 c2-na-n4 65.2 121.32 SOURCE0 1
|
|
|
2482 c2-na-na 65.1 124.60 SOURCE0 1
|
|
|
2483 c2-na-nc 67.6 119.95 SOURCE3 4 1.8044 1.8457
|
|
|
2484 c2-na-nd 67.6 119.95 SOURCE3 4 same as c2-na-nc
|
|
|
2485 c2-na-nh 65.0 124.98 SOURCE0 1
|
|
|
2486 c2-na-no 64.3 124.20 SOURCE0 1
|
|
|
2487 c2-na-o 68.2 125.90 SOURCE0 1
|
|
|
2488 c2-na-oh 65.8 123.90 SOURCE0 1
|
|
|
2489 c2-na-os 68.5 110.33 SOURCE3 4 2.7760 3.2172
|
|
|
2490 c2-na-p2 76.2 122.14 SOURCE0 1
|
|
|
2491 c2-na-p3 74.6 126.10 SOURCE0 1
|
|
|
2492 c2-na-p4 81.6 125.00 SOURCE0 1
|
|
|
2493 c2-na-p5 76.4 125.10 SOURCE0 1
|
|
|
2494 c2-na-pc 77.0 121.56 SOURCE3 3 1.5323 1.6252
|
|
|
2495 c2-na-pd 77.0 121.56 SOURCE3 3 same as c2-na-pc
|
|
|
2496 c2-na-s 58.9 125.80 SOURCE0 1
|
|
|
2497 c2-na-s4 58.4 124.90 SOURCE0 1
|
|
|
2498 c2-na-s6 60.2 124.40 SOURCE0 1
|
|
|
2499 c2-na-sh 60.2 125.10 SOURCE0 1
|
|
|
2500 c2-na-ss 62.3 115.53 SOURCE3 5 1.1554 1.4036
|
|
|
2501 c3-na-c3 60.7 125.59 SOURCE3 1 0.0000 0.0000
|
|
|
2502 c3-na-ca 63.1 124.36 SOURCE3 5 4.0243 4.2557
|
|
|
2503 c3-na-cc 62.6 125.09 SOURCE3 18 1.1830 1.2138
|
|
|
2504 c3-na-cd 62.6 125.09 SOURCE3 18 1.1830 1.2138
|
|
|
2505 c3-na-n2 68.7 106.67 SOURCE3 2 0.0000 0.0000
|
|
|
2506 c3-na-nc 65.7 120.46 SOURCE3 8 1.7737 2.1625
|
|
|
2507 c3-na-nd 65.7 120.46 SOURCE3 8 1.7737 2.1625
|
|
|
2508 c3-na-os 68.9 104.39 SOURCE3 3 1.1329 1.2017
|
|
|
2509 c3-na-p2 75.0 123.12 SOURCE0 1
|
|
|
2510 c3-na-pc 75.9 122.11 SOURCE3 3 2.6874 2.8504
|
|
|
2511 c3-na-pd 75.9 122.11 SOURCE3 3 same as c3-na-pc
|
|
|
2512 c3-na-sh 63.4 110.28 SOURCE0 1
|
|
|
2513 c3-na-ss 62.9 110.87 SOURCE3 3 0.7788 0.8260
|
|
|
2514 ca-na-ca 67.1 119.80 SOURCE2 1 0.0000 0.0000
|
|
|
2515 ca-na-cc 68.5 113.15 SOURCE3 18 9.7983 9.8644
|
|
|
2516 ca-na-cd 68.5 113.15 SOURCE3 18 9.7983 9.8644
|
|
|
2517 ca-na-cl 53.2 124.79 SOURCE0 1
|
|
|
2518 ca-na-f 65.5 116.40 SOURCE0 1
|
|
|
2519 ca-na-hn 48.2 122.77 SOURCE3 13 5.8799 7.1074
|
|
|
2520 ca-na-i 55.2 121.62 SOURCE0 1
|
|
|
2521 ca-na-n 67.3 122.00 SOURCE0 1
|
|
|
2522 ca-na-n2 66.9 121.23 SOURCE0 1
|
|
|
2523 ca-na-n4 66.4 120.19 SOURCE0 1
|
|
|
2524 ca-na-na 66.3 123.76 SOURCE0 1
|
|
|
2525 ca-na-nc 69.3 117.85 SOURCE3 6 3.3298 3.6536
|
|
|
2526 ca-na-nd 69.3 117.85 SOURCE3 6 same as ca-na-nc
|
|
|
2527 ca-na-nh 67.7 118.59 SOURCE0 1
|
|
|
2528 ca-na-o 70.9 120.68 SOURCE3 4 0.1702 0.1702
|
|
|
2529 ca-na-oh 66.7 124.08 SOURCE0 1
|
|
|
2530 ca-na-os 69.7 109.46 SOURCE3 1 0.0000 0.0000
|
|
|
2531 ca-na-p2 75.5 125.85 SOURCE0 1
|
|
|
2532 ca-na-p3 75.5 124.38 SOURCE0 1
|
|
|
2533 ca-na-p4 82.4 124.97 SOURCE0 1
|
|
|
2534 ca-na-p5 77.5 123.30 SOURCE0 1
|
|
|
2535 ca-na-pc 77.3 122.13 SOURCE3 3 2.1112 2.2393
|
|
|
2536 ca-na-pd 77.3 122.13 SOURCE3 3 same as ca-na-pc
|
|
|
2537 ca-na-py 72.6 140.88 SOURCE3 2 0.0000 0.0000
|
|
|
2538 ca-na-s 59.3 125.64 SOURCE0 1
|
|
|
2539 ca-na-s4 60.6 117.23 SOURCE0 1
|
|
|
2540 ca-na-s6 61.6 120.69 SOURCE0 1
|
|
|
2541 ca-na-sh 60.5 125.44 SOURCE0 1
|
|
|
2542 ca-na-ss 62.4 116.60 SOURCE0 1
|
|
|
2543 cc-na-cc 68.9 109.90 SOURCE3 109 1.2152 1.5547
|
|
|
2544 cd-na-cd 68.9 109.90 SOURCE3 109 1.2152 1.5547
|
|
|
2545 cc-na-cd 63.9 128.01 SOURCE3 1 0.0000 0.0000
|
|
|
2546 cc-na-cl 53.1 124.61 SOURCE3 3 0.4910 0.5208
|
|
|
2547 cd-na-cl 53.1 124.61 SOURCE3 3 same as cc-na-cl
|
|
|
2548 cc-na-f 64.6 118.03 SOURCE3 4 0.2905 0.3081
|
|
|
2549 cd-na-f 64.6 118.03 SOURCE3 4 0.2905 0.3081
|
|
|
2550 cc-na-hn 47.2 124.66 SOURCE3 38 4.3279 5.9689
|
|
|
2551 cd-na-hn 47.2 124.66 SOURCE3 38 4.3279 5.9689
|
|
|
2552 cc-na-i 54.3 125.70 SOURCE3 6 0.6256 0.7821
|
|
|
2553 cd-na-i 54.3 125.70 SOURCE3 6 0.6256 0.7821
|
|
|
2554 cc-na-n 66.5 123.19 SOURCE3 13 0.1564 0.3010
|
|
|
2555 cd-na-n 66.5 123.19 SOURCE3 13 0.1564 0.3010
|
|
|
2556 cc-na-n2 66.0 122.96 SOURCE3 15 0.5269 0.9350
|
|
|
2557 cd-na-n2 66.0 122.96 SOURCE3 15 0.5269 0.9350
|
|
|
2558 cc-na-n4 65.9 120.31 SOURCE3 10 3.0227 3.4394
|
|
|
2559 cd-na-n4 65.9 120.31 SOURCE3 10 3.0227 3.4394
|
|
|
2560 cc-na-na 65.9 123.43 SOURCE3 23 0.1445 0.2088
|
|
|
2561 cd-na-na 65.9 123.43 SOURCE3 23 0.1445 0.2088
|
|
|
2562 cc-na-nc 70.2 113.02 SOURCE3 38 1.6684 2.2867
|
|
|
2563 cd-na-nd 70.2 113.02 SOURCE3 38 1.6684 2.2867
|
|
|
2564 cc-na-nh 66.2 122.25 SOURCE3 19 0.1526 0.2010
|
|
|
2565 cd-na-nh 66.2 122.25 SOURCE3 19 0.1526 0.2010
|
|
|
2566 cc-na-no 65.4 121.78 SOURCE3 9 0.2814 0.3521
|
|
|
2567 cd-na-no 65.4 121.78 SOURCE3 9 0.2814 0.3521
|
|
|
2568 cc-na-o 69.0 125.21 SOURCE3 10 0.0087 0.0124
|
|
|
2569 cd-na-o 69.0 125.21 SOURCE3 10 0.0087 0.0124
|
|
|
2570 cc-na-oh 66.7 122.38 SOURCE3 10 0.1099 0.1570
|
|
|
2571 cd-na-oh 66.7 122.38 SOURCE3 10 0.1099 0.1570
|
|
|
2572 cc-na-os 67.3 115.74 SOURCE3 41 4.3528 5.4093
|
|
|
2573 cd-na-os 67.3 115.74 SOURCE3 41 4.3528 5.4093
|
|
|
2574 cc-na-p2 75.3 125.86 SOURCE3 14 1.2242 2.2993
|
|
|
2575 cd-na-p2 75.3 125.86 SOURCE3 14 1.2242 2.2993
|
|
|
2576 cc-na-p3 75.0 125.25 SOURCE3 8 0.1571 0.1998
|
|
|
2577 cd-na-p3 75.0 125.25 SOURCE3 8 0.1571 0.1998
|
|
|
2578 cc-na-p4 81.1 127.73 SOURCE3 7 3.1941 3.6077
|
|
|
2579 cd-na-p4 81.1 127.73 SOURCE3 7 same as cc-na-p4
|
|
|
2580 cc-na-p5 76.8 124.70 SOURCE3 13 0.8852 1.4225
|
|
|
2581 cd-na-p5 76.8 124.70 SOURCE3 13 0.8852 1.4225
|
|
|
2582 cc-na-s 59.1 125.66 SOURCE3 8 0.1504 0.1880
|
|
|
2583 cd-na-s 59.1 125.66 SOURCE3 8 0.1504 0.1880
|
|
|
2584 cc-na-s4 59.4 121.03 SOURCE3 10 0.4358 0.5589
|
|
|
2585 cd-na-s4 59.4 121.03 SOURCE3 10 0.4358 0.5589
|
|
|
2586 cc-na-s6 61.0 122.19 SOURCE3 10 0.7706 0.9634
|
|
|
2587 cd-na-s6 61.0 122.19 SOURCE3 10 0.7706 0.9634
|
|
|
2588 cc-na-sh 60.7 123.96 SOURCE3 10 0.2394 0.3424
|
|
|
2589 cd-na-sh 60.7 123.96 SOURCE3 10 0.2394 0.3424
|
|
|
2590 cc-na-ss 61.6 119.18 SOURCE3 36 4.3591 5.0538
|
|
|
2591 cd-na-ss 61.6 119.18 SOURCE3 36 4.3591 5.0538
|
|
|
2592 cl-na-cl 48.7 122.80 SOURCE0 1
|
|
|
2593 cl-na-nc 55.7 119.36 SOURCE3 4 1.4294 1.7128
|
|
|
2594 cl-na-nd 55.7 119.36 SOURCE3 4 same as cl-na-nc
|
|
|
2595 cl-na-os 58.6 106.58 SOURCE3 1 0.0000 0.0000
|
|
|
2596 cl-na-p2 68.7 121.29 SOURCE0 1
|
|
|
2597 cl-na-pc 69.2 120.51 SOURCE3 3 2.0728 2.1985
|
|
|
2598 cl-na-pd 69.2 120.51 SOURCE3 3 same as cl-na-pc
|
|
|
2599 cl-na-ss 56.7 111.91 SOURCE3 1 0.0000 0.0000
|
|
|
2600 f -na-f 62.2 120.20 SOURCE0 1
|
|
|
2601 f -na-nc 66.6 118.05 SOURCE3 4 1.5336 1.7931
|
|
|
2602 f -na-nd 66.6 118.05 SOURCE3 4 same as f -na-nc
|
|
|
2603 f -na-os 69.2 103.86 SOURCE3 1 0.0000 0.0000
|
|
|
2604 f -na-p2 75.5 119.95 SOURCE0 1
|
|
|
2605 f -na-pc 76.4 119.10 SOURCE3 3 2.2596 2.3967
|
|
|
2606 f -na-pd 76.4 119.10 SOURCE3 3 same as f -na-pc
|
|
|
2607 f -na-ss 63.3 108.01 SOURCE3 1 0.0000 0.0000
|
|
|
2608 hn-na-hn 39.8 116.80 SOURCE0 1
|
|
|
2609 hn-na-nc 50.0 119.61 SOURCE3 16 1.4674 1.8079
|
|
|
2610 hn-na-nd 50.0 119.61 SOURCE3 16 1.4674 1.8079
|
|
|
2611 hn-na-os 51.4 101.41 SOURCE3 7 2.1205 3.0814
|
|
|
2612 hn-na-p2 51.0 122.52 SOURCE0 1
|
|
|
2613 hn-na-pc 51.8 121.48 SOURCE3 3 2.7676 2.9355
|
|
|
2614 hn-na-pd 51.8 121.48 SOURCE3 3 same as hn-na-pc
|
|
|
2615 hn-na-ss 42.2 113.95 SOURCE3 1 0.0000 0.0000
|
|
|
2616 i -na-i 58.3 124.20 SOURCE0 1
|
|
|
2617 i -na-nc 56.9 120.03 SOURCE3 4 1.6724 2.0032
|
|
|
2618 i -na-nd 56.9 120.03 SOURCE3 4 same as i -na-nc
|
|
|
2619 i -na-os 59.9 109.91 SOURCE3 1 0.0000 0.0000
|
|
|
2620 i -na-p2 73.4 122.28 SOURCE0 1
|
|
|
2621 i -na-pc 73.8 121.40 SOURCE3 3 2.3347 2.4763
|
|
|
2622 i -na-pd 73.8 121.40 SOURCE3 3 same as i -na-pc
|
|
|
2623 i -na-ss 59.0 118.40 SOURCE3 1 0.0000 0.0000
|
|
|
2624 n -na-n 67.8 123.80 SOURCE0 1
|
|
|
2625 n -na-nc 69.6 119.85 SOURCE3 4 1.3529 1.6156
|
|
|
2626 n -na-nd 69.6 119.85 SOURCE3 4 same as n -na-nc
|
|
|
2627 n -na-os 72.3 104.71 SOURCE3 1 0.0000 0.0000
|
|
|
2628 n -na-p2 78.5 121.35 SOURCE0 1
|
|
|
2629 n -na-pc 79.3 120.64 SOURCE3 3 1.9015 2.0168
|
|
|
2630 n -na-pd 79.3 120.64 SOURCE3 3 same as n -na-pc
|
|
|
2631 n -na-ss 63.8 116.10 SOURCE3 1 0.0000 0.0000
|
|
|
2632 n2-na-n2 68.6 116.71 SOURCE0 1
|
|
|
2633 n2-na-nc 68.9 119.96 SOURCE3 4 3.7508 4.5041
|
|
|
2634 n2-na-nd 68.9 119.96 SOURCE3 4 same as n2-na-nc
|
|
|
2635 n2-na-os 69.6 111.53 SOURCE3 1 0.0000 0.0000
|
|
|
2636 n2-na-p2 77.1 124.88 SOURCE0 1
|
|
|
2637 n2-na-pc 78.2 123.18 SOURCE3 3 4.5205 4.7947
|
|
|
2638 n2-na-pd 78.2 123.18 SOURCE3 3 same as n2-na-pc
|
|
|
2639 n2-na-ss 61.4 124.64 SOURCE3 1 0.0000 0.0000
|
|
|
2640 n3-na-n3 65.8 124.00 SOURCE0 1
|
|
|
2641 n4-na-n4 68.6 111.70 SOURCE0 1
|
|
|
2642 n4-na-nc 69.1 116.44 SOURCE3 4 3.4363 3.6604
|
|
|
2643 n4-na-nd 69.1 116.44 SOURCE3 4 same as n4-na-nc
|
|
|
2644 n4-na-os 71.6 102.97 SOURCE3 1 0.0000 0.0000
|
|
|
2645 n4-na-p2 77.0 123.56 SOURCE0 1
|
|
|
2646 n4-na-pc 78.1 121.98 SOURCE3 3 4.2317 4.4884
|
|
|
2647 n4-na-pd 78.1 121.98 SOURCE3 3 same as n4-na-pc
|
|
|
2648 na-na-na 66.8 123.60 SOURCE0 1
|
|
|
2649 na-na-nc 69.1 119.64 SOURCE3 4 1.4391 1.6920
|
|
|
2650 na-na-nd 69.1 119.64 SOURCE3 4 same as na-na-nc
|
|
|
2651 na-na-os 70.2 109.47 SOURCE3 1 0.0000 0.0000
|
|
|
2652 na-na-p2 78.1 121.72 SOURCE0 1
|
|
|
2653 na-na-pc 78.9 120.91 SOURCE3 3 2.1716 2.3033
|
|
|
2654 na-na-pd 78.9 120.91 SOURCE3 3 same as na-na-pc
|
|
|
2655 na-na-ss 63.5 116.50 SOURCE3 1 0.0000 0.0000
|
|
|
2656 nc-na-nc 71.2 117.08 SOURCE3 31 1.3370 1.8121
|
|
|
2657 nd-na-nd 71.2 117.08 SOURCE3 31 1.3370 1.8121
|
|
|
2658 nc-na-nh 68.8 120.55 SOURCE3 8 0.9372 1.1436
|
|
|
2659 nd-na-nh 68.8 120.55 SOURCE3 8 same as nc-na-nh
|
|
|
2660 nc-na-no 68.2 119.15 SOURCE3 4 1.3563 1.6049
|
|
|
2661 nd-na-no 68.2 119.15 SOURCE3 4 same as nc-na-no
|
|
|
2662 nc-na-o 72.0 122.79 SOURCE3 6 0.9658 1.3154
|
|
|
2663 nd-na-o 72.0 122.79 SOURCE3 6 same as nc-na-o
|
|
|
2664 nc-na-oh 69.7 119.22 SOURCE3 4 1.4515 1.7201
|
|
|
2665 nd-na-oh 69.7 119.22 SOURCE3 4 same as nc-na-oh
|
|
|
2666 nc-na-os 68.3 119.65 SOURCE3 4 1.2975 1.5019
|
|
|
2667 nd-na-os 68.3 119.65 SOURCE3 4 same as nc-na-os
|
|
|
2668 nc-na-p2 79.2 119.99 SOURCE3 4 3.1175 3.6009
|
|
|
2669 nd-na-p2 79.2 119.99 SOURCE3 4 same as nc-na-p2
|
|
|
2670 nc-na-p3 78.7 120.07 SOURCE3 4 3.2166 3.7188
|
|
|
2671 nd-na-p3 78.7 120.07 SOURCE3 4 same as nc-na-p3
|
|
|
2672 nc-na-p4 86.2 119.77 SOURCE3 3 0.3532 0.3747
|
|
|
2673 nd-na-p4 86.2 119.77 SOURCE3 3 same as nc-na-p4
|
|
|
2674 nc-na-p5 80.8 118.95 SOURCE3 4 2.8603 3.1194
|
|
|
2675 nd-na-p5 80.8 118.95 SOURCE3 4 same as nc-na-p5
|
|
|
2676 nc-na-pc 80.3 118.66 SOURCE3 27 1.2284 1.5082
|
|
|
2677 nd-na-pd 80.3 118.66 SOURCE3 27 same as nc-na-pc
|
|
|
2678 nc-na-s 61.6 122.26 SOURCE3 4 0.7754 0.9173
|
|
|
2679 nd-na-s 61.6 122.26 SOURCE3 4 same as nc-na-s
|
|
|
2680 nc-na-s4 61.5 119.20 SOURCE3 4 1.9615 2.3841
|
|
|
2681 nd-na-s4 61.5 119.20 SOURCE3 4 same as nc-na-s4
|
|
|
2682 nc-na-s6 63.4 119.24 SOURCE3 4 1.8561 2.2262
|
|
|
2683 nd-na-s6 63.4 119.24 SOURCE3 4 same as nc-na-s6
|
|
|
2684 nc-na-sh 63.3 120.50 SOURCE3 4 1.2479 1.5016
|
|
|
2685 nd-na-sh 63.3 120.50 SOURCE3 4 same as nc-na-sh
|
|
|
2686 nc-na-ss 62.9 120.50 SOURCE3 4 1.2895 1.5615
|
|
|
2687 nd-na-ss 62.9 120.50 SOURCE3 4 same as nc-na-ss
|
|
|
2688 nh-na-nh 66.8 123.60 SOURCE0 1
|
|
|
2689 nh-na-os 69.6 111.37 SOURCE3 1 0.0000 0.0000
|
|
|
2690 nh-na-p2 78.3 120.86 SOURCE0 1
|
|
|
2691 nh-na-pc 79.1 120.38 SOURCE3 6 1.2708 1.3513
|
|
|
2692 nh-na-pd 79.1 120.38 SOURCE3 6 same as nh-na-pc
|
|
|
2693 nh-na-ss 64.7 112.35 SOURCE3 2 5.2951 5.2951
|
|
|
2694 no-na-no 65.2 122.80 SOURCE0 1
|
|
|
2695 no-na-os 70.3 106.55 SOURCE3 1 0.0000 0.0000
|
|
|
2696 no-na-pc 78.6 120.11 SOURCE3 3 1.9631 2.0821
|
|
|
2697 no-na-pd 78.6 120.11 SOURCE3 3 same as no-na-pc
|
|
|
2698 no-na-ss 63.5 114.95 SOURCE3 1 0.0000 0.0000
|
|
|
2699 o -na-o 74.0 126.20 SOURCE0 1
|
|
|
2700 o -na-os 70.8 118.39 SOURCE3 1 0.0000 0.0000
|
|
|
2701 o -na-p2 79.5 122.80 SOURCE0 1
|
|
|
2702 o -na-pc 80.4 122.34 SOURCE3 3 1.2169 1.2908
|
|
|
2703 o -na-pd 80.4 122.34 SOURCE3 3 same as o -na-pc
|
|
|
2704 oh-na-oh 68.1 122.20 SOURCE0 1
|
|
|
2705 oh-na-p2 78.9 120.76 SOURCE0 1
|
|
|
2706 oh-na-pc 79.7 119.99 SOURCE3 3 2.0491 2.1734
|
|
|
2707 oh-na-pd 79.7 119.99 SOURCE3 3 same as oh-na-pc
|
|
|
2708 oh-na-ss 64.9 113.04 SOURCE3 1 0.0000 0.0000
|
|
|
2709 os-na-os 71.3 104.45 SOURCE3 2 0.0983 0.0983
|
|
|
2710 os-na-p2 79.2 117.86 SOURCE3 1 0.0000 0.0000
|
|
|
2711 os-na-p3 83.6 104.70 SOURCE3 1 0.0000 0.0000
|
|
|
2712 os-na-p5 82.6 111.41 SOURCE3 1 0.0000 0.0000
|
|
|
2713 os-na-pc 79.1 119.91 SOURCE3 3 1.7915 1.9002
|
|
|
2714 os-na-pd 79.1 119.91 SOURCE3 3 same as os-na-pc
|
|
|
2715 os-na-s4 64.8 105.88 SOURCE3 2 0.0000 0.0000
|
|
|
2716 os-na-s6 64.8 112.00 SOURCE3 2 0.0000 0.0000
|
|
|
2717 os-na-ss 65.3 109.64 SOURCE3 3 3.9028 4.1395
|
|
|
2718 p2-na-p2 96.6 120.91 SOURCE0 1
|
|
|
2719 p2-na-p3 94.7 124.80 SOURCE0 1
|
|
|
2720 p2-na-p5 96.3 123.99 SOURCE0 1
|
|
|
2721 p2-na-pc 97.2 120.72 SOURCE3 3 0.2270 0.2407
|
|
|
2722 p2-na-pd 97.2 120.72 SOURCE3 3 same as p2-na-pc
|
|
|
2723 p2-na-s 75.7 121.85 SOURCE0 1
|
|
|
2724 p2-na-s4 74.9 122.47 SOURCE0 1
|
|
|
2725 p2-na-s6 76.3 122.50 SOURCE0 1
|
|
|
2726 p2-na-sh 76.7 121.75 SOURCE0 1
|
|
|
2727 p2-na-ss 76.4 121.88 SOURCE0 1
|
|
|
2728 p3-na-p3 93.7 126.60 SOURCE0 1
|
|
|
2729 p3-na-pc 95.8 123.32 SOURCE3 3 3.9391 4.1781
|
|
|
2730 p3-na-pd 95.8 123.32 SOURCE3 3 same as p3-na-pc
|
|
|
2731 p5-na-p5 97.1 124.60 SOURCE0 1
|
|
|
2732 p5-na-pc 97.3 122.69 SOURCE3 3 3.4637 3.6738
|
|
|
2733 p5-na-pd 97.3 122.69 SOURCE3 3 same as p5-na-pc
|
|
|
2734 p5-na-ss 78.2 118.52 SOURCE3 1 0.0000 0.0000
|
|
|
2735 pc-na-pc 97.6 120.78 SOURCE3 27 1.2682 1.6457
|
|
|
2736 pd-na-pd 97.6 120.78 SOURCE3 27 same as pc-na-pc
|
|
|
2737 pc-na-s 76.2 121.47 SOURCE3 3 1.0058 1.0668
|
|
|
2738 pd-na-s 76.2 121.47 SOURCE3 3 same as pc-na-s
|
|
|
2739 pc-na-s4 75.5 121.51 SOURCE3 3 2.5684 2.7242
|
|
|
2740 pd-na-s4 75.5 121.51 SOURCE3 3 same as pc-na-s4
|
|
|
2741 pc-na-s6 77.0 121.55 SOURCE3 3 2.5517 2.7065
|
|
|
2742 pd-na-s6 77.0 121.55 SOURCE3 3 same as pc-na-s6
|
|
|
2743 pc-na-sh 77.3 121.08 SOURCE3 3 1.7859 1.8942
|
|
|
2744 pd-na-sh 77.3 121.08 SOURCE3 3 same as pc-na-sh
|
|
|
2745 pc-na-ss 77.0 121.20 SOURCE3 3 1.8191 1.9295
|
|
|
2746 pd-na-ss 77.0 121.20 SOURCE3 3 same as pc-na-ss
|
|
|
2747 py-na-py 122.7 78.25 SOURCE3 1 0.0000 0.0000
|
|
|
2748 s -na-s 58.5 126.00 SOURCE0 1
|
|
|
2749 s -na-ss 62.5 112.49 SOURCE3 1 0.0000 0.0000
|
|
|
2750 s4-na-s4 58.1 124.20 SOURCE0 1
|
|
|
2751 s4-na-s6 62.0 112.86 SOURCE0 1
|
|
|
2752 s4-na-ss 62.2 111.92 SOURCE3 1 0.0000 0.0000
|
|
|
2753 s6-na-s6 60.5 123.20 SOURCE0 1
|
|
|
2754 s6-na-ss 61.4 119.10 SOURCE3 1 0.0000 0.0000
|
|
|
2755 sh-na-sh 60.4 124.60 SOURCE0 1
|
|
|
2756 sh-na-ss 61.6 118.79 SOURCE3 1 0.0000 0.0000
|
|
|
2757 ss-na-ss 62.9 113.24 SOURCE3 2 6.6084 6.6084
|
|
|
2758 sy-na-sy 60.5 123.20 SOURCE0 1
|
|
|
2759 ca-nb-ca 68.6 115.86 SOURCE3 46 0.9817 1.1645
|
|
|
2760 ca-nb-cp 68.0 117.04 SOURCE3 2 0.0000 0.0000
|
|
|
2761 ca-nb-cq 68.0 117.04 SOURCE3 2 0.0000 0.0000
|
|
|
2762 ca-nb-nb 69.4 118.89 SOURCE3 10 0.4394 0.6031
|
|
|
2763 nb-nb-nb 70.4 121.04 SOURCE3 1 0.0000 0.0000
|
|
|
2764 c -nc-ca 66.6 120.66 SOURCE0 1
|
|
|
2765 c -nd-ca 66.6 120.66 SOURCE0 1 same as c -nc-ca
|
|
|
2766 c -nc-cd 67.0 119.25 SOURCE3 2 1.4095 1.4095
|
|
|
2767 c -nd-cc 67.0 119.25 SOURCE3 2 same as c -nc-cd
|
|
|
2768 c3-nc-cd 67.6 109.51 SOURCE3 9 5.0602 5.4142
|
|
|
2769 c3-nd-cc 67.6 109.51 SOURCE3 9 same as c3-nc-cd
|
|
|
2770 ca-nc-ca 70.7 109.95 SOURCE0 1
|
|
|
2771 ca-nd-ca 70.7 109.95 SOURCE0 1 same as ca-nc-ca
|
|
|
2772 ca-nc-cc 71.1 108.82 SOURCE3 11 4.2211 5.0835
|
|
|
2773 ca-nd-cc 71.1 108.82 SOURCE3 11 4.2211 5.0835 added by eajfpeter
|
|
|
2774 ca-nc-cd 71.1 108.82 SOURCE3 11 4.2211 5.0835
|
|
|
2775 ca-nd-cd 71.1 108.82 SOURCE3 11 4.2211 5.0835 added by eajfpeter
|
|
|
2776 ca-nc-n 73.8 104.69 SOURCE0 1
|
|
|
2777 ca-nd-n 73.8 104.69 SOURCE0 1 same as ca-nc-n
|
|
|
2778 ca-nc-na 74.1 104.16 SOURCE0 1
|
|
|
2779 ca-nd-na 74.1 104.16 SOURCE0 1 same as ca-nc-na
|
|
|
2780 ca-nc-os 73.1 104.34 SOURCE3 1 0.0000 0.0000
|
|
|
2781 ca-nd-os 73.1 104.34 SOURCE3 1 same as ca-nc-os
|
|
|
2782 ca-nc-ss 67.8 116.29 SOURCE0 1
|
|
|
2783 ca-nd-ss 67.8 116.29 SOURCE0 1 same as ca-nc-ss
|
|
|
2784 cc-nc-cc 68.6 110.19 SOURCE3 1 0.0000 0.0000
|
|
|
2785 cd-nd-cd 68.6 110.19 SOURCE3 1 same as cc-nc-cc
|
|
|
2786 cc-nc-cd 70.5 107.47 SOURCE3 26 4.9214 5.4053
|
|
|
2787 cc-nd-cd 70.5 107.47 SOURCE3 26 4.9214 5.4053
|
|
|
2788 cc-nc-na 73.4 102.97 SOURCE3 1 0.0000 0.0000
|
|
|
2789 cd-nd-na 73.4 102.97 SOURCE3 1 same as cc-nc-na
|
|
|
2790 cc-nc-nd 72.5 107.94 SOURCE3 6 1.2473 1.4052
|
|
|
2791 cd-nd-nc 72.5 107.94 SOURCE3 6 1.2473 1.4052
|
|
|
2792 cd-nc-n 74.0 104.15 SOURCE3 4 1.8118 2.1512
|
|
|
2793 cc-nd-n 74.0 104.15 SOURCE3 4 same as cd-nc-n
|
|
|
2794 cd-nc-na 74.2 103.73 SOURCE3 122 1.9430 2.3292
|
|
|
2795 cc-nd-na 74.2 103.73 SOURCE3 122 1.9430 2.3292
|
|
|
2796 cd-nc-nc 71.4 109.51 SOURCE3 15 3.8384 5.1636
|
|
|
2797 cc-nd-nd 71.4 109.51 SOURCE3 15 3.8384 5.1636
|
|
|
2798 cd-nc-os 72.2 106.99 SOURCE3 10 4.4186 4.6698
|
|
|
2799 cc-nd-os 72.2 106.99 SOURCE3 10 4.4186 4.6698
|
|
|
2800 cd-nc-ss 70.3 108.50 SOURCE3 4 0.6893 0.7311
|
|
|
2801 cc-nd-ss 70.3 108.50 SOURCE3 4 0.6893 0.7311
|
|
|
2802 na-nc-nd 76.0 105.47 SOURCE3 6 0.4926 0.6349
|
|
|
2803 na-nd-nc 76.0 105.47 SOURCE3 6 0.4926 0.6349
|
|
|
2804 nd-nc-os 74.4 107.22 SOURCE3 3 0.4201 0.4707
|
|
|
2805 nc-nd-os 74.4 107.22 SOURCE3 3 same as nd-nc-os
|
|
|
2806 nc-nd-nd 73.2 111.15 SOURCE3 3 0.4213 0.4528
|
|
|
2807 nc-nc-nd 73.2 111.15 SOURCE3 3 same as nc-nd-nd
|
|
|
2808 c -ne-c2 67.4 118.53 SOURCE3 3 3.0224 3.2058
|
|
|
2809 c -nf-c2 67.4 118.53 SOURCE3 3 same as c -ne-c2
|
|
|
2810 c1-ne-ca 62.9 137.74 SOURCE3 1 0.0000 0.0000
|
|
|
2811 c1-nf-ca 62.9 137.74 SOURCE3 1 same as c1-ne-ca
|
|
|
2812 c1-ne-cg 64.4 140.00 SOURCE2 1 0.0000 0.0000
|
|
|
2813 c1-nf-ch 64.4 140.00 SOURCE2 1 same as c1-ne-cg
|
|
|
2814 c2-ne-ca 66.7 118.67 SOURCE3 2 0.7082 0.7082
|
|
|
2815 c2-nf-ca 66.7 118.67 SOURCE3 2 same as c2-ne-ca
|
|
|
2816 c2-ne-ce 67.3 118.17 SOURCE3 3 1.1667 1.2374
|
|
|
2817 c2-nf-cf 67.3 118.17 SOURCE3 3 same as c2-ne-ce
|
|
|
2818 c2-ne-n2 74.6 113.31 SOURCE0 1
|
|
|
2819 c2-nf-n2 74.6 113.31 SOURCE0 1 same as c2-ne-n2
|
|
|
2820 c2-ne-ne 69.2 110.86 SOURCE3 7 3.2451 4.5874
|
|
|
2821 c2-nf-nf 69.2 110.86 SOURCE3 7 same as c2-ne-ne
|
|
|
2822 c2-ne-p2 80.8 134.03 SOURCE0 1
|
|
|
2823 c2-nf-p2 80.8 134.03 SOURCE0 1 same as c2-ne-p2
|
|
|
2824 c2-ne-pe 79.2 120.52 SOURCE3 8 6.9715 8.1381
|
|
|
2825 c2-nf-pf 79.2 120.52 SOURCE3 8 same as c2-ne-pe
|
|
|
2826 c2-ne-px 80.6 117.75 SOURCE3 5 0.8192 0.8581
|
|
|
2827 c2-nf-px 80.6 117.75 SOURCE3 5 same as c2-ne-px
|
|
|
2828 c2-ne-py 80.1 117.04 SOURCE3 3 1.3574 1.4398
|
|
|
2829 c2-nf-py 80.1 117.04 SOURCE3 3 same as c2-ne-py
|
|
|
2830 c2-ne-sx 61.0 111.98 SOURCE3 3 0.3856 0.4090
|
|
|
2831 c2-nf-sx 61.0 111.98 SOURCE3 3 same as c2-ne-sx
|
|
|
2832 c2-ne-sy 62.9 114.81 SOURCE3 3 1.2186 1.2925
|
|
|
2833 c2-nf-sy 62.9 114.81 SOURCE3 3 same as c2-ne-sy
|
|
|
2834 ca-ne-n2 70.0 113.11 SOURCE3 2 0.3839 0.3839
|
|
|
2835 ca-nf-n2 70.0 113.11 SOURCE3 2 same as ca-ne-n2
|
|
|
2836 ca-ne-nf 69.9 114.72 SOURCE3 2 0.0000 0.0000
|
|
|
2837 ca-nf-ne 69.9 114.72 SOURCE3 2 0.0000 0.0000
|
|
|
2838 ca-ne-o 71.1 113.96 SOURCE3 3 0.9256 1.1253
|
|
|
2839 ca-nf-o 71.1 113.96 SOURCE3 3 same as ca-ne-o
|
|
|
2840 ca-ne-p2 83.1 118.09 SOURCE3 1 0.0000 0.0000
|
|
|
2841 ca-nf-p2 83.1 118.09 SOURCE3 1 same as ca-ne-p2
|
|
|
2842 ca-ne-s 65.8 120.11 SOURCE3 1 0.0000 0.0000
|
|
|
2843 ca-nf-s 65.8 120.11 SOURCE3 1 same as ca-ne-s
|
|
|
2844 ce-ne-n2 71.2 111.19 SOURCE3 1 0.0000 0.0000
|
|
|
2845 cf-nf-n2 71.2 111.19 SOURCE3 1 same as ce-ne-n2
|
|
|
2846 ce-ne-o 72.3 112.16 SOURCE3 1 0.0000 0.0000
|
|
|
2847 cf-nf-o 72.3 112.16 SOURCE3 1 same as ce-ne-o
|
|
|
2848 ce-ne-p2 83.8 117.02 SOURCE3 1 0.0000 0.0000
|
|
|
2849 cf-nf-p2 83.8 117.02 SOURCE3 1 same as ce-ne-p2
|
|
|
2850 ce-ne-s 67.1 116.28 SOURCE3 1 0.0000 0.0000
|
|
|
2851 cf-nf-s 67.1 116.28 SOURCE3 1 same as ce-ne-s
|
|
|
2852 cg-ne-n1 70.6 120.20 SOURCE2 1 0.0000 0.0000
|
|
|
2853 ch-nf-n1 70.6 120.20 SOURCE2 1 same as cg-ne-n1
|
|
|
2854 cg-ne-n2 72.0 113.39 SOURCE3 1 0.0000 0.0000
|
|
|
2855 ch-nf-n2 72.0 113.39 SOURCE3 1 same as cg-ne-n2
|
|
|
2856 cg-ne-o 73.2 114.70 SOURCE2 1 0.0000 0.0000
|
|
|
2857 ch-nf-o 73.2 114.70 SOURCE2 1 same as cg-ne-o
|
|
|
2858 cg-ne-p2 84.0 119.57 SOURCE3 1 0.0000 0.0000
|
|
|
2859 ch-nf-p2 84.0 119.57 SOURCE3 1 same as cg-ne-p2
|
|
|
2860 cg-ne-s 67.7 117.70 SOURCE3 1 0.0000 0.0000
|
|
|
2861 ch-nf-s 67.7 117.70 SOURCE3 1 same as cg-ne-s
|
|
|
2862 n2-ne-n2 78.6 107.22 SOURCE0 1
|
|
|
2863 n2-nf-n2 78.6 107.22 SOURCE0 1 same as n2-ne-n2
|
|
|
2864 n2-ne-ne 70.9 110.72 SOURCE3 9 5.6539 6.1488
|
|
|
2865 n2-nf-nf 70.9 110.72 SOURCE3 9 same as n2-ne-ne
|
|
|
2866 n2-ne-o 78.1 114.10 SOURCE3 1 0.0000 0.0000
|
|
|
2867 n2-nf-o 78.1 114.10 SOURCE3 1 same as n2-ne-o
|
|
|
2868 n2-ne-p2 91.6 109.66 SOURCE0 1
|
|
|
2869 n2-nf-p2 91.6 109.66 SOURCE0 1 same as n2-ne-p2
|
|
|
2870 n2-ne-pe 84.2 112.15 SOURCE3 7 5.8874 6.5273
|
|
|
2871 n2-nf-pf 84.2 112.15 SOURCE3 7 same as n2-ne-pe
|
|
|
2872 n2-ne-px 83.2 115.97 SOURCE3 3 1.8719 1.9854
|
|
|
2873 n2-nf-px 83.2 115.97 SOURCE3 3 same as n2-ne-px
|
|
|
2874 n2-ne-py 82.9 114.60 SOURCE3 3 2.7587 2.9261
|
|
|
2875 n2-nf-py 82.9 114.60 SOURCE3 3 same as n2-ne-py
|
|
|
2876 n2-ne-s 71.3 115.90 SOURCE3 1 0.0000 0.0000
|
|
|
2877 n2-nf-s 71.3 115.90 SOURCE3 1 same as n2-ne-s
|
|
|
2878 n2-ne-sx 63.8 107.29 SOURCE3 1 0.0000 0.0000
|
|
|
2879 n2-nf-sx 63.8 107.29 SOURCE3 1 same as n2-ne-sx
|
|
|
2880 n2-ne-sy 65.5 111.21 SOURCE3 1 0.0000 0.0000
|
|
|
2881 n2-nf-sy 65.5 111.21 SOURCE3 1 same as n2-ne-sy
|
|
|
2882 ne-ne-o 72.3 110.45 SOURCE3 10 1.5341 1.8535
|
|
|
2883 nf-nf-o 72.3 110.45 SOURCE3 10 same as ne-ne-o
|
|
|
2884 ne-ne-p2 85.3 114.39 SOURCE3 6 3.7554 4.0528
|
|
|
2885 nf-nf-p2 85.3 114.39 SOURCE3 6 same as ne-ne-p2
|
|
|
2886 ne-ne-s 67.6 115.95 SOURCE3 6 3.1034 3.4604
|
|
|
2887 nf-nf-s 67.6 115.95 SOURCE3 6 same as ne-ne-s
|
|
|
2888 o -ne-o 76.9 124.09 SOURCE3 2 8.7534 8.7534
|
|
|
2889 o -nf-o 76.9 124.09 SOURCE3 2 same as o -ne-o
|
|
|
2890 o -ne-pe 78.3 132.32 SOURCE3 11 22.7306 23.9559
|
|
|
2891 o -nf-pf 78.3 132.32 SOURCE3 11 same as o -ne-pe
|
|
|
2892 o -ne-px 86.1 110.62 SOURCE3 1 0.0000 0.0000
|
|
|
2893 o -nf-px 86.1 110.62 SOURCE3 1 same as o -ne-px
|
|
|
2894 o -ne-py 85.2 110.79 SOURCE3 4 1.6818 1.6818
|
|
|
2895 o -nf-py 85.2 110.79 SOURCE3 4 same as o -ne-py
|
|
|
2896 o -ne-s 72.0 117.19 SOURCE3 2 0.0225 0.0225
|
|
|
2897 o -nf-s 72.0 117.19 SOURCE3 2 same as o -ne-s
|
|
|
2898 o -ne-sx 63.8 108.92 SOURCE3 1 0.0000 0.0000
|
|
|
2899 o -nf-sx 63.8 108.92 SOURCE3 1 same as o -ne-sx
|
|
|
2900 o -ne-sy 66.1 111.34 SOURCE3 1 0.0000 0.0000
|
|
|
2901 o -nf-sy 66.1 111.34 SOURCE3 1 same as o -ne-sy
|
|
|
2902 p2-ne-pe 104.6 116.81 SOURCE3 1 0.0000 0.0000
|
|
|
2903 p2-nf-pf 104.6 116.81 SOURCE3 1 same as p2-ne-pe
|
|
|
2904 p2-ne-px 100.1 128.35 SOURCE3 1 0.0000 0.0000
|
|
|
2905 p2-nf-px 100.1 128.35 SOURCE3 1 same as p2-ne-px
|
|
|
2906 p2-ne-py 101.4 123.47 SOURCE3 1 0.0000 0.0000
|
|
|
2907 p2-nf-py 101.4 123.47 SOURCE3 1 same as p2-ne-py
|
|
|
2908 p2-ne-sx 80.5 112.12 SOURCE3 1 0.0000 0.0000
|
|
|
2909 p2-nf-sx 80.5 112.12 SOURCE3 1 same as p2-ne-sx
|
|
|
2910 p2-ne-sy 81.8 115.73 SOURCE3 1 0.0000 0.0000
|
|
|
2911 p2-nf-sy 81.8 115.73 SOURCE3 1 same as p2-ne-sy
|
|
|
2912 pe-ne-s 83.5 115.73 SOURCE3 1 0.0000 0.0000
|
|
|
2913 pf-nf-s 83.5 115.73 SOURCE3 1 same as pe-ne-s
|
|
|
2914 px-ne-s 78.5 131.84 SOURCE3 1 0.0000 0.0000
|
|
|
2915 px-nf-s 78.5 131.84 SOURCE3 1 same as px-ne-s
|
|
|
2916 py-ne-s 83.1 116.18 SOURCE3 4 3.7135 3.7135
|
|
|
2917 py-nf-s 83.1 116.18 SOURCE3 4 same as py-ne-s
|
|
|
2918 s -ne-s 68.6 120.87 SOURCE3 1 0.0000 0.0000
|
|
|
2919 s -nf-s 68.6 120.87 SOURCE3 1 same as s -ne-s
|
|
|
2920 s -ne-sx 63.7 112.96 SOURCE3 1 0.0000 0.0000
|
|
|
2921 s -nf-sx 63.7 112.96 SOURCE3 1 same as s -ne-sx
|
|
|
2922 s -ne-sy 63.9 119.63 SOURCE3 1 0.0000 0.0000
|
|
|
2923 s -nf-sy 63.9 119.63 SOURCE3 1 same as s -ne-sy
|
|
|
2924 br-nh-br 67.1 106.27 SOURCE0 1
|
|
|
2925 br-nh-ca 62.0 111.88 SOURCE3 1 0.0000 0.0000
|
|
|
2926 br-nh-hn 42.1 101.56 SOURCE3 1 0.0000 0.0000
|
|
|
2927 c -nh-c 67.0 119.57 SOURCE0 1
|
|
|
2928 c -nh-ca 65.6 123.57 SOURCE0 1
|
|
|
2929 c -nh-hn 49.5 115.73 SOURCE0 1
|
|
|
2930 c -nh-n4 68.0 111.35 SOURCE0 1
|
|
|
2931 c1-nh-c1 67.7 116.98 SOURCE3 1 0.0000 0.0000
|
|
|
2932 c1-nh-ca 65.9 122.36 SOURCE3 3 1.1328 1.2016
|
|
|
2933 c1-nh-hn 49.0 118.07 SOURCE3 1 0.0000 0.0000
|
|
|
2934 c2-nh-c2 65.5 124.69 SOURCE3 1 0.0000 0.0000
|
|
|
2935 c2-nh-c3 63.2 123.71 SOURCE3 8 2.9758 3.5348
|
|
|
2936 c2-nh-ca 65.5 123.66 SOURCE3 3 0.9054 0.9603
|
|
|
2937 c2-nh-hn 49.0 117.94 SOURCE3 63 3.2395 3.5550
|
|
|
2938 c3-nh-c3 63.5 114.54 SOURCE3 4 4.3647 5.3186
|
|
|
2939 c3-nh-ca 64.6 117.77 SOURCE3 8 1.6597 1.7521
|
|
|
2940 c3-nh-cc 63.7 121.18 SOURCE3 1 0.0000 0.0000
|
|
|
2941 c3-nh-cd 63.7 121.18 SOURCE3 1 same as c3-nh-cc
|
|
|
2942 c3-nh-hn 46.5 114.95 SOURCE3 19 1.8868 2.4787
|
|
|
2943 c3-nh-n2 67.9 112.35 SOURCE3 9 3.0433 4.0058
|
|
|
2944 c3-nh-p2 77.1 123.35 SOURCE3 1 0.0000 0.0000
|
|
|
2945 ca-nh-ca 64.3 127.46 SOURCE3 2 0.0002 0.0002
|
|
|
2946 ca-nh-cl 57.7 113.15 SOURCE3 1 0.0000 0.0000
|
|
|
2947 ca-nh-f 67.9 106.09 SOURCE3 3 1.0050 1.0660
|
|
|
2948 ca-nh-hn 49.6 113.79 SOURCE3 94 2.6056 3.1958
|
|
|
2949 ca-nh-i 55.5 117.83 SOURCE3 1 0.0000 0.0000
|
|
|
2950 ca-nh-n 68.8 112.95 SOURCE3 4 0.9096 1.0790
|
|
|
2951 ca-nh-n2 68.1 120.05 SOURCE3 8 2.5677 2.6934
|
|
|
2952 ca-nh-n3 68.2 114.21 SOURCE3 6 1.6106 2.2412
|
|
|
2953 ca-nh-n4 68.6 108.94 SOURCE3 5 0.6400 0.6562
|
|
|
2954 ca-nh-na 68.6 114.54 SOURCE3 8 0.6124 0.7807
|
|
|
2955 ca-nh-nh 68.5 114.87 SOURCE3 6 2.0206 2.1432
|
|
|
2956 ca-nh-no 67.3 113.92 SOURCE3 4 2.5876 2.9561
|
|
|
2957 ca-nh-o 69.6 121.92 SOURCE3 2 3.9630 3.9630
|
|
|
2958 ca-nh-oh 68.5 112.80 SOURCE3 1 0.0000 0.0000
|
|
|
2959 ca-nh-os 69.3 110.17 SOURCE3 3 0.6080 0.6448
|
|
|
2960 ca-nh-p2 78.0 125.27 SOURCE3 8 3.8796 5.1798
|
|
|
2961 ca-nh-p3 76.1 125.70 SOURCE3 3 5.4491 5.7796
|
|
|
2962 ca-nh-p4 77.4 124.01 SOURCE3 3 2.4334 2.5810
|
|
|
2963 ca-nh-p5 78.2 125.61 SOURCE3 3 0.4984 0.5287
|
|
|
2964 ca-nh-s 59.4 122.54 SOURCE3 3 2.5457 2.7001
|
|
|
2965 ca-nh-s4 62.1 115.62 SOURCE3 3 0.3238 0.3434
|
|
|
2966 ca-nh-s6 63.7 115.88 SOURCE3 3 0.6984 0.7407
|
|
|
2967 ca-nh-sh 61.8 121.41 SOURCE3 1 0.0000 0.0000
|
|
|
2968 ca-nh-ss 61.8 121.50 SOURCE3 3 2.4754 2.6255
|
|
|
2969 ca-nh-sy 64.0 117.74 SOURCE3 1 0.0000 0.0000
|
|
|
2970 cc-nh-hn 48.9 117.16 SOURCE3 11 2.3900 2.6137
|
|
|
2971 cd-nh-hn 48.9 117.16 SOURCE3 11 2.3900 2.6137
|
|
|
2972 ce-nh-hn 50.1 114.73 SOURCE3 1 0.0000 0.0000
|
|
|
2973 cf-nh-hn 50.1 114.73 SOURCE3 1 same as ce-nh-hn
|
|
|
2974 ce-nh-o 68.2 129.43 SOURCE3 1 0.0000 0.0000
|
|
|
2975 cf-nh-o 68.2 129.43 SOURCE3 1 same as ce-nh-o
|
|
|
2976 cl-nh-cl 54.4 106.60 SOURCE0 1
|
|
|
2977 cl-nh-hn 40.1 104.14 SOURCE3 1 0.0000 0.0000
|
|
|
2978 f -nh-f 66.9 101.70 SOURCE3 1 0.0000 0.0000
|
|
|
2979 f -nh-hn 49.8 101.23 SOURCE3 1 0.0000 0.0000
|
|
|
2980 hn-nh-hn 40.1 114.43 SOURCE3 56 3.1626 3.8013
|
|
|
2981 hn-nh-i 36.5 107.57 SOURCE3 1 0.0000 0.0000
|
|
|
2982 hn-nh-n 51.1 105.95 SOURCE3 4 0.4635 0.5421
|
|
|
2983 hn-nh-n2 50.7 115.14 SOURCE3 21 2.5438 3.0032
|
|
|
2984 hn-nh-n3 50.1 109.12 SOURCE3 5 2.1577 2.3680
|
|
|
2985 hn-nh-n4 49.7 104.40 SOURCE3 3 0.4767 0.5056
|
|
|
2986 hn-nh-na 50.9 107.91 SOURCE3 26 1.2007 1.5528
|
|
|
2987 hn-nh-nh 50.9 108.08 SOURCE3 4 3.3278 3.3278
|
|
|
2988 hn-nh-no 49.9 104.71 SOURCE3 2 1.4480 1.4480
|
|
|
2989 hn-nh-o 53.0 116.45 SOURCE3 2 0.6063 0.6063
|
|
|
2990 hn-nh-oh 51.1 103.15 SOURCE3 1 0.0000 0.0000
|
|
|
2991 hn-nh-os 50.7 104.76 SOURCE3 3 0.4604 0.4883
|
|
|
2992 hn-nh-p2 54.4 118.18 SOURCE3 21 3.2394 3.6927
|
|
|
2993 hn-nh-p3 53.1 116.19 SOURCE3 3 2.8792 3.0539
|
|
|
2994 hn-nh-p4 54.7 112.60 SOURCE3 3 0.7766 0.8237
|
|
|
2995 hn-nh-p5 55.3 115.26 SOURCE3 3 0.8644 0.9168
|
|
|
2996 hn-nh-s 40.8 114.37 SOURCE3 1 0.0000 0.0000
|
|
|
2997 hn-nh-s4 43.1 107.48 SOURCE3 3 1.3162 1.3960
|
|
|
2998 hn-nh-s6 44.8 106.95 SOURCE3 3 0.5772 0.6122
|
|
|
2999 hn-nh-sh 43.3 112.25 SOURCE3 1 0.0000 0.0000
|
|
|
3000 hn-nh-ss 43.0 113.89 SOURCE3 3 1.3228 1.4030
|
|
|
3001 hn-nh-sy 45.2 109.10 SOURCE3 1 0.0000 0.0000
|
|
|
3002 i -nh-i 59.8 115.82 SOURCE0 1
|
|
|
3003 n -nh-o 71.8 115.63 SOURCE0 1
|
|
|
3004 n2-nh-n2 70.8 117.50 SOURCE3 2 1.1907 1.1907
|
|
|
3005 n2-nh-n3 69.6 115.54 SOURCE3 1 0.0000 0.0000
|
|
|
3006 n2-nh-o 70.4 126.06 SOURCE3 1 0.0000 0.0000
|
|
|
3007 n3-nh-n3 69.5 110.98 SOURCE3 1 0.0000 0.0000
|
|
|
3008 n4-nh-n4 68.2 108.36 SOURCE3 1 0.0000 0.0000
|
|
|
3009 na-nh-na 70.1 112.01 SOURCE3 1 0.0000 0.0000
|
|
|
3010 nh-nh-nh 70.1 112.23 SOURCE3 1 0.0000 0.0000
|
|
|
3011 no-nh-no 68.6 108.55 SOURCE3 1 0.0000 0.0000
|
|
|
3012 o -nh-o 72.2 128.06 SOURCE0 1
|
|
|
3013 oh-nh-oh 70.9 106.27 SOURCE0 1
|
|
|
3014 os-nh-os 71.2 105.27 SOURCE0 1
|
|
|
3015 p2-nh-p2 98.1 127.33 SOURCE3 2 2.7857 2.7857
|
|
|
3016 p3-nh-p3 96.0 125.08 SOURCE0 1
|
|
|
3017 p5-nh-p5 104.7 112.76 SOURCE0 1
|
|
|
3018 s -nh-s 59.7 118.73 SOURCE3 1 0.0000 0.0000
|
|
|
3019 s4-nh-s4 62.6 112.39 SOURCE0 1
|
|
|
3020 s6-nh-s6 62.5 120.27 SOURCE0 1
|
|
|
3021 sh-nh-sh 62.3 119.00 SOURCE0 1
|
|
|
3022 ss-nh-ss 62.2 119.25 SOURCE0 1
|
|
|
3023 br-no-o 58.5 113.19 SOURCE3 2 0.0000 0.0000
|
|
|
3024 c -no-o 67.1 115.26 SOURCE0 1
|
|
|
3025 c1-no-o 71.3 116.63 SOURCE3 6 0.0000 0.0000
|
|
|
3026 c2-no-o 69.3 116.87 SOURCE3 8 0.4199 0.4200
|
|
|
3027 c3-no-o 67.0 116.56 SOURCE3 6 0.3733 0.3959
|
|
|
3028 ca-no-o 68.7 118.10 SOURCE3 10 0.8958 1.1524
|
|
|
3029 cl-no-o 57.3 115.08 SOURCE3 2 0.0000 0.0000
|
|
|
3030 hn-no-o 55.3 115.49 SOURCE3 2 0.0000 0.0000
|
|
|
3031 i -no-o 54.6 116.31 SOURCE3 2 0.0000 0.0000
|
|
|
3032 n -no-o 71.7 115.41 SOURCE3 8 0.3612 0.3748
|
|
|
3033 n2-no-o 65.8 115.10 SOURCE2 2 2.4000 2.4000
|
|
|
3034 n3-no-o 72.0 115.56 SOURCE3 6 0.6060 0.6427
|
|
|
3035 n4-no-o 72.9 109.00 SOURCE3 2 0.0000 0.0000
|
|
|
3036 na-no-o 72.2 115.49 SOURCE3 18 0.4677 0.5640
|
|
|
3037 nh-no-o 71.6 115.71 SOURCE3 8 0.4808 0.4811
|
|
|
3038 no-no-o 59.9 112.38 SOURCE3 4 0.0000 0.0000
|
|
|
3039 o -no-o 76.4 127.55 SOURCE3 89 2.7577 3.8475
|
|
|
3040 o -no-oh 74.1 114.70 SOURCE3 2 0.0000 0.0000
|
|
|
3041 o -no-os 71.8 114.01 SOURCE3 8 0.9760 0.9778
|
|
|
3042 o -no-p2 82.1 117.38 SOURCE3 20 0.6173 0.8083
|
|
|
3043 o -no-p3 77.7 116.78 SOURCE3 6 0.4648 0.4929
|
|
|
3044 o -no-p4 76.7 116.64 SOURCE3 6 0.0084 0.0089
|
|
|
3045 o -no-p5 78.2 116.69 SOURCE3 8 0.4507 0.4507
|
|
|
3046 o -no-s 64.0 119.81 SOURCE3 4 0.0042 0.0042
|
|
|
3047 o -no-s4 57.1 114.49 SOURCE3 6 0.5349 0.5674
|
|
|
3048 o -no-s6 57.8 114.39 SOURCE3 6 0.7836 0.8311
|
|
|
3049 o -no-sh 62.9 116.10 SOURCE3 2 0.0000 0.0000
|
|
|
3050 o -no-ss 62.3 115.58 SOURCE3 6 0.5525 0.5860
|
|
|
3051 br-oh-ho 42.2 101.60 SOURCE3 1 0.0000 0.0000
|
|
|
3052 c -oh-ho 51.2 107.37 SOURCE3 34 1.4300 1.6830
|
|
|
3053 c1-oh-ho 50.2 108.76 SOURCE3 1 0.0000 0.0000
|
|
|
3054 c2-oh-ho 49.9 108.98 SOURCE3 6 1.6080 2.2379
|
|
|
3055 c3-oh-ho 47.1 108.16 SOURCE3 42 1.1979 1.3034
|
|
|
3056 ca-oh-ho 48.9 109.47 SOURCE3 7 0.9655 1.0405
|
|
|
3057 cc-oh-ho 49.7 107.72 SOURCE3 3 1.0115 1.0115
|
|
|
3058 cd-oh-ho 49.7 107.72 SOURCE3 3 1.0115 1.0115
|
|
|
3059 cl-oh-ho 40.5 102.40 SOURCE2 1 0.0000 0.0000
|
|
|
3060 cx-oh-ho 49.6 106.17 SOURCE3 3 0.0608 0.0644
|
|
|
3061 cy-oh-ho 47.7 106.88 SOURCE3 2 0.0000 0.0000
|
|
|
3062 f -oh-ho 48.5 96.80 SOURCE2 1 0.0000 0.0000
|
|
|
3063 ho-oh-ho 41.9 104.80 SOURCE2 1 0.0000 0.0000
|
|
|
3064 ho-oh-i 35.7 107.98 SOURCE3 2 0.0000 0.0000
|
|
|
3065 ho-oh-n 50.5 101.03 SOURCE3 6 1.1335 1.4086
|
|
|
3066 ho-oh-n2 50.6 102.74 SOURCE3 9 1.5684 2.1286
|
|
|
3067 ho-oh-n3 50.6 102.33 SOURCE3 5 0.9483 1.2591
|
|
|
3068 ho-oh-n4 49.4 106.63 SOURCE3 3 0.2612 0.2770
|
|
|
3069 ho-oh-na 50.2 103.71 SOURCE3 9 1.0282 1.2590
|
|
|
3070 ho-oh-nh 49.3 101.78 SOURCE3 1 0.0000 0.0000
|
|
|
3071 ho-oh-no 50.3 102.17 SOURCE3 1 0.0000 0.0000
|
|
|
3072 ho-oh-o 47.3 100.87 SOURCE0 1
|
|
|
3073 ho-oh-oh 49.3 98.72 SOURCE3 2 0.0000 0.0000
|
|
|
3074 ho-oh-os 49.4 98.77 SOURCE3 3 0.6106 0.6830
|
|
|
3075 ho-oh-p2 55.9 109.45 SOURCE3 8 2.2353 3.3491
|
|
|
3076 ho-oh-p3 53.8 110.64 SOURCE3 3 0.4894 0.5191
|
|
|
3077 ho-oh-p4 55.3 110.19 SOURCE3 4 0.2049 0.2372
|
|
|
3078 ho-oh-p5 55.9 110.14 SOURCE3 92 2.0406 3.8033
|
|
|
3079 ho-oh-py 56.2 110.73 SOURCE3 79 1.5384 1.7835
|
|
|
3080 ho-oh-s 40.9 100.15 SOURCE3 2 0.0000 0.0000
|
|
|
3081 ho-oh-s4 43.6 106.31 SOURCE3 3 1.2438 1.3192
|
|
|
3082 ho-oh-s6 45.5 109.20 SOURCE3 13 0.1484 0.1856
|
|
|
3083 ho-oh-sh 43.0 106.24 SOURCE3 2 0.0661 0.0661
|
|
|
3084 ho-oh-ss 43.1 107.06 SOURCE3 4 0.9702 0.9967
|
|
|
3085 ho-oh-sy 44.7 106.11 SOURCE3 4 0.9258 1.1482
|
|
|
3086 br-os-br 65.1 110.63 SOURCE3 1 0.0000 0.0000
|
|
|
3087 c -os-c 64.0 122.65 SOURCE3 5 3.3752 3.5418
|
|
|
3088 c -os-c2 68.2 106.90 SOURCE2 1 0.0000 0.0000
|
|
|
3089 c -os-c3 63.6 115.14 SOURCE3 17 1.5416 1.8967
|
|
|
3090 c -os-ca 64.6 117.61 SOURCE3 2 2.1561 2.1561
|
|
|
3091 c -os-cc 64.2 119.62 SOURCE3 5 5.2421 6.0675
|
|
|
3092 c -os-cd 64.2 119.62 SOURCE3 5 5.2421 6.0675
|
|
|
3093 c -os-cy 70.9 91.10 SOURCE3 2 0.0155 0.0155
|
|
|
3094 c -os-oh 66.2 110.50 SOURCE3 1 0.0000 0.0000
|
|
|
3095 c -os-sy 61.9 113.49 SOURCE3 1 0.0000 0.0000
|
|
|
3096 c1-os-c1 67.0 115.02 SOURCE3 1 0.0000 0.0000
|
|
|
3097 c1-os-c3 64.5 113.39 SOURCE3 1 0.0000 0.0000
|
|
|
3098 c2-os-c2 66.0 113.14 SOURCE3 6 1.9475 2.1932
|
|
|
3099 c2-os-c3 64.2 112.09 SOURCE3 7 3.0925 4.1809
|
|
|
3100 c2-os-ca 65.4 113.59 SOURCE3 1 0.0000 0.0000
|
|
|
3101 c2-os-n2 64.9 118.13 SOURCE3 1 0.0000 0.0000
|
|
|
3102 c2-os-na 68.2 103.85 SOURCE3 4 0.6297 0.6297
|
|
|
3103 c2-os-os 68.3 102.77 SOURCE3 1 0.0000 0.0000
|
|
|
3104 c2-os-ss 63.1 108.13 SOURCE3 1 0.0000 0.0000
|
|
|
3105 c3-os-c3 62.1 113.41 SOURCE3 50 2.5452 3.0289
|
|
|
3106 c3-os-ca 62.4 117.60 SOURCE3 8 2.5372 2.9174
|
|
|
3107 c3-os-cc 63.1 115.18 SOURCE3 8 3.4925 3.8476
|
|
|
3108 c3-os-cd 63.1 115.18 SOURCE3 8 3.4925 3.8476
|
|
|
3109 c3-os-cl 56.2 110.50 SOURCE2 1 0.0000 0.0000
|
|
|
3110 c3-os-i 54.9 113.70 SOURCE3 1 0.0000 0.0000
|
|
|
3111 c3-os-n 65.3 108.57 SOURCE3 4 0.5159 0.6121
|
|
|
3112 c3-os-n2 65.9 108.12 SOURCE3 7 0.2643 0.3048
|
|
|
3113 c3-os-n3 65.3 107.69 SOURCE3 3 0.3554 0.3770
|
|
|
3114 c3-os-n4 64.9 110.50 SOURCE3 3 0.5116 0.5426
|
|
|
3115 c3-os-na 64.5 109.91 SOURCE3 9 1.1472 1.8268
|
|
|
3116 c3-os-nc 64.8 112.73 SOURCE3 2 1.0358 1.0358
|
|
|
3117 c3-os-nd 64.8 112.73 SOURCE3 2 same as c3-os-nc
|
|
|
3118 c3-os-nh 65.4 107.26 SOURCE3 1 0.0000 0.0000
|
|
|
3119 c3-os-no 63.3 111.47 SOURCE3 2 1.6956 1.6956
|
|
|
3120 c3-os-o 65.6 103.00 SOURCE3 1 0.0000 0.0000
|
|
|
3121 c3-os-oh 65.7 105.42 SOURCE3 2 0.8087 0.8087
|
|
|
3122 c3-os-os 65.9 105.01 SOURCE3 7 0.5292 0.6328
|
|
|
3123 c3-os-p2 80.2 115.47 SOURCE3 8 1.7016 2.6374
|
|
|
3124 c3-os-p3 76.5 115.97 SOURCE3 3 0.3392 0.3597
|
|
|
3125 c3-os-p4 77.6 117.48 SOURCE3 4 0.3849 0.3850
|
|
|
3126 c3-os-p5 78.5 118.00 SOURCE3 31 1.0807 1.2882
|
|
|
3127 c3-os-py 78.1 117.80 SOURCE3 16 0.9119 0.9654
|
|
|
3128 c3-os-s 59.3 109.55 SOURCE3 1 0.0000 0.0000
|
|
|
3129 c3-os-s4 61.3 111.50 SOURCE3 6 1.2743 1.4240
|
|
|
3130 c3-os-s6 63.3 115.38 SOURCE3 2 2.2498 2.2498
|
|
|
3131 c3-os-sh 61.7 112.82 SOURCE3 1 0.0000 0.0000
|
|
|
3132 c3-os-ss 60.7 113.19 SOURCE3 3 0.2315 0.2455
|
|
|
3133 ca-os-ca 63.6 118.96 SOURCE3 3 1.2676 1.4055
|
|
|
3134 ca-os-cc 66.2 109.77 SOURCE3 6 3.8556 5.0326
|
|
|
3135 ca-os-cd 66.2 109.77 SOURCE3 6 3.8556 5.0326
|
|
|
3136 ca-os-n3 65.4 112.19 SOURCE3 1 0.0000 0.0000
|
|
|
3137 ca-os-na 66.5 108.24 SOURCE3 1 0.0000 0.0000
|
|
|
3138 ca-os-nc 66.1 113.68 SOURCE0 2
|
|
|
3139 ca-os-nd 66.1 113.68 SOURCE0 2
|
|
|
3140 cc-os-cc 66.5 109.17 SOURCE3 12 6.7381 7.2529
|
|
|
3141 cd-os-cd 66.5 109.17 SOURCE3 12 6.7381 7.2529
|
|
|
3142 cc-os-cd 62.7 122.99 SOURCE3 3 0.1438 0.1525
|
|
|
3143 cc-os-na 65.5 111.66 SOURCE3 28 3.6412 4.1343
|
|
|
3144 cd-os-na 65.5 111.66 SOURCE3 28 3.6412 4.1343
|
|
|
3145 cc-os-nc 68.1 107.23 SOURCE3 6 2.1966 2.7507
|
|
|
3146 cd-os-nd 68.1 107.23 SOURCE3 6 2.1966 2.7507
|
|
|
3147 cc-os-os 66.3 108.47 SOURCE3 2 0.0000 0.0000
|
|
|
3148 cd-os-os 66.3 108.47 SOURCE3 2 same as cc-os-os
|
|
|
3149 cc-os-ss 59.9 119.59 SOURCE3 1 0.0000 0.0000
|
|
|
3150 cd-os-ss 59.9 119.59 SOURCE3 1 same as cc-os-ss
|
|
|
3151 cl-os-cl 52.3 110.76 SOURCE3 2 0.0000 0.0000
|
|
|
3152 cx-os-cx 85.7 61.19 SOURCE3 2 0.0000 0.0000
|
|
|
3153 cx-os-n 88.4 59.99 SOURCE3 1 0.0000 0.0000
|
|
|
3154 cx-os-os 90.4 56.52 SOURCE3 2 0.0000 0.0000
|
|
|
3155 cy-os-cy 67.4 93.40 SOURCE2 2 1.4000 1.4000
|
|
|
3156 f -os-f 63.9 103.30 SOURCE2 1 0.0000 0.0000
|
|
|
3157 f -os-os 63.9 109.50 SOURCE2 1 0.0000 0.0000
|
|
|
3158 i -os-i 58.1 115.67 SOURCE3 1 0.0000 0.0000
|
|
|
3159 n -os-n 67.2 108.31 SOURCE3 1 0.0000 0.0000
|
|
|
3160 n2-os-n2 68.8 106.83 SOURCE3 1 0.0000 0.0000
|
|
|
3161 n3-os-n3 67.8 104.88 SOURCE3 1 0.0000 0.0000
|
|
|
3162 n4-os-n4 65.7 114.68 SOURCE3 1 0.0000 0.0000
|
|
|
3163 na-os-na 66.1 109.59 SOURCE3 1 0.0000 0.0000
|
|
|
3164 na-os-ss 64.7 104.34 SOURCE3 1 0.0000 0.0000
|
|
|
3165 nc-os-nc 68.2 110.40 SOURCE2 1 0.0000 0.0000
|
|
|
3166 nd-os-nd 68.2 110.40 SOURCE2 1 same as nc-os-nc
|
|
|
3167 nc-os-ss 63.4 110.97 SOURCE3 1 0.0000 0.0000
|
|
|
3168 nd-os-ss 63.4 110.97 SOURCE3 1 same as nc-os-ss
|
|
|
3169 nh-os-nh 66.6 108.29 SOURCE3 1 0.0000 0.0000
|
|
|
3170 no-os-no 64.0 111.86 SOURCE3 1 0.0000 0.0000
|
|
|
3171 o -os-o 62.8 114.68 SOURCE3 1 0.0000 0.0000
|
|
|
3172 p2-os-p2 103.6 120.02 SOURCE3 1 0.0000 0.0000
|
|
|
3173 p2-os-p5 108.3 107.86 SOURCE3 1 0.0000 0.0000
|
|
|
3174 p3-os-p3 96.2 121.22 SOURCE3 1 0.0000 0.0000
|
|
|
3175 p3-os-py 105.1 105.58 SOURCE3 1 0.0000 0.0000
|
|
|
3176 p5-os-p5 99.2 126.25 SOURCE3 1 0.0000 0.0000
|
|
|
3177 s -os-s 57.0 118.08 SOURCE3 1 0.0000 0.0000
|
|
|
3178 s4-os-s4 62.1 111.63 SOURCE3 1 0.0000 0.0000
|
|
|
3179 s6-os-s6 64.8 119.07 SOURCE3 2 0.4318 0.4318
|
|
|
3180 sh-os-sh 61.2 118.95 SOURCE3 1 0.0000 0.0000
|
|
|
3181 ss-os-ss 60.8 115.64 SOURCE3 1 0.0000 0.0000
|
|
|
3182 br-p2-br 40.7 108.60 SOURCE0 1
|
|
|
3183 br-p2-c2 39.4 102.32 SOURCE3 2 0.0146 0.0146
|
|
|
3184 br-p2-n2 40.4 103.33 SOURCE3 1 0.0000 0.0000
|
|
|
3185 br-p2-o 39.4 110.87 SOURCE3 1 0.0000 0.0000
|
|
|
3186 br-p2-p2 50.2 115.46 SOURCE3 4 6.8089 7.8622
|
|
|
3187 br-p2-s 40.6 110.52 SOURCE3 1 0.0000 0.0000
|
|
|
3188 c -p2-c 38.3 90.10 SOURCE0 1
|
|
|
3189 c -p2-c2 38.9 97.30 SOURCE0 1
|
|
|
3190 c1-p2-c1 39.2 99.04 SOURCE0 1
|
|
|
3191 c1-p2-c2 39.8 101.29 SOURCE0 1
|
|
|
3192 c1-p2-n2 41.4 101.79 SOURCE0 1
|
|
|
3193 c1-p2-o 41.3 107.62 SOURCE0 1
|
|
|
3194 c1-p2-p2 53.3 99.54 SOURCE0 1
|
|
|
3195 c1-p2-s 41.0 105.90 SOURCE0 1
|
|
|
3196 c2-p2-c2 40.4 104.50 SOURCE0 1
|
|
|
3197 c2-p2-c3 38.6 101.90 SOURCE3 4 0.0911 0.1132
|
|
|
3198 c2-p2-ca 38.8 101.95 SOURCE0 1
|
|
|
3199 c2-p2-cl 35.6 102.72 SOURCE3 2 0.0000 0.0000
|
|
|
3200 c2-p2-f 41.6 103.47 SOURCE3 2 0.0136 0.0136
|
|
|
3201 c2-p2-hp 30.1 97.19 SOURCE3 3 0.0204 0.0216
|
|
|
3202 c2-p2-i 33.9 101.94 SOURCE3 2 0.0368 0.0368
|
|
|
3203 c2-p2-n 40.9 103.28 SOURCE3 4 2.8675 3.3113
|
|
|
3204 c2-p2-n2 43.2 99.88 SOURCE0 1
|
|
|
3205 c2-p2-n3 42.0 101.80 SOURCE0 1
|
|
|
3206 c2-p2-n4 39.1 98.26 SOURCE3 6 0.1327 0.1522
|
|
|
3207 c2-p2-na 40.5 103.99 SOURCE3 8 1.4375 1.6834
|
|
|
3208 c2-p2-nh 41.2 105.17 SOURCE3 8 0.6846 0.8263
|
|
|
3209 c2-p2-no 41.9 97.97 SOURCE3 3 0.3936 0.4175
|
|
|
3210 c2-p2-o 41.5 115.16 SOURCE0 1
|
|
|
3211 c2-p2-oh 42.5 102.89 SOURCE3 3 0.7723 0.8191
|
|
|
3212 c2-p2-os 43.3 102.12 SOURCE3 4 0.7246 0.8783
|
|
|
3213 c2-p2-p2 54.7 99.56 SOURCE0 1
|
|
|
3214 c2-p2-p3 48.1 99.27 SOURCE3 4 1.1367 1.1590
|
|
|
3215 c2-p2-p4 48.2 96.94 SOURCE0 1
|
|
|
3216 c2-p2-p5 48.0 97.61 SOURCE0 1
|
|
|
3217 c2-p2-s 42.2 105.53 SOURCE0 1
|
|
|
3218 c2-p2-s4 38.3 95.15 SOURCE0 1
|
|
|
3219 c2-p2-s6 38.3 95.51 SOURCE0 1
|
|
|
3220 c2-p2-sh 40.2 101.49 SOURCE3 3 0.0053 0.0057
|
|
|
3221 c2-p2-ss 40.2 101.81 SOURCE3 4 0.5882 0.5883
|
|
|
3222 c3-p2-c3 37.4 99.30 SOURCE0 1
|
|
|
3223 c3-p2-n2 40.3 100.82 SOURCE3 1 0.0000 0.0000
|
|
|
3224 c3-p2-o 40.1 106.72 SOURCE3 1 0.0000 0.0000
|
|
|
3225 c3-p2-os 40.7 101.34 SOURCE3 1 0.0000 0.0000
|
|
|
3226 c3-p2-p2 51.8 100.48 SOURCE3 1 0.0000 0.0000
|
|
|
3227 c3-p2-s 40.0 105.68 SOURCE3 1 0.0000 0.0000
|
|
|
3228 ca-p2-ca 37.6 99.70 SOURCE0 1
|
|
|
3229 ca-p2-n 41.7 89.97 SOURCE0 1
|
|
|
3230 ca-p2-n2 40.5 100.82 SOURCE0 1
|
|
|
3231 ca-p2-na 41.7 89.21 SOURCE0 1
|
|
|
3232 ca-p2-o 40.3 106.88 SOURCE0 1
|
|
|
3233 ca-p2-s 39.8 107.93 SOURCE0 1
|
|
|
3234 ce-p2-o 40.6 107.44 SOURCE0 1
|
|
|
3235 cf-p2-o 40.6 107.44 SOURCE0 1 same as ce-p2-o
|
|
|
3236 ce-p2-s 40.6 105.54 SOURCE0 1
|
|
|
3237 cf-p2-s 40.6 105.54 SOURCE0 1 same as ce-p2-s
|
|
|
3238 cl-p2-cl 32.0 108.70 SOURCE0 1
|
|
|
3239 cl-p2-n2 36.7 103.38 SOURCE3 1 0.0000 0.0000
|
|
|
3240 cl-p2-o 36.0 110.57 SOURCE3 1 0.0000 0.0000
|
|
|
3241 cl-p2-p2 47.8 103.11 SOURCE3 1 0.0000 0.0000
|
|
|
3242 cl-p2-s 36.6 110.11 SOURCE3 1 0.0000 0.0000
|
|
|
3243 f -p2-f 42.2 107.10 SOURCE0 1
|
|
|
3244 f -p2-n2 43.6 103.57 SOURCE3 1 0.0000 0.0000
|
|
|
3245 f -p2-o 43.8 110.61 SOURCE3 1 0.0000 0.0000
|
|
|
3246 f -p2-p2 54.5 103.48 SOURCE3 1 0.0000 0.0000
|
|
|
3247 f -p2-s 41.2 114.71 SOURCE3 2 5.2794 5.2794
|
|
|
3248 hp-p2-hp 22.8 98.76 SOURCE0 1
|
|
|
3249 hp-p2-n1 31.1 95.18 SOURCE3 2 1.5708 1.5708
|
|
|
3250 hp-p2-n2 32.1 95.54 SOURCE3 19 3.3767 4.7352
|
|
|
3251 hp-p2-ne 31.9 100.10 SOURCE3 14 5.3381 6.1290
|
|
|
3252 hp-p2-nf 31.9 100.10 SOURCE3 14 same as hp-p2-ne
|
|
|
3253 hp-p2-o 32.0 105.58 SOURCE3 1 0.0000 0.0000
|
|
|
3254 hp-p2-p2 38.2 101.88 SOURCE3 27 12.2440 12.9535
|
|
|
3255 hp-p2-p4 32.7 94.51 SOURCE3 1 0.0000 0.0000
|
|
|
3256 hp-p2-p5 33.7 89.07 SOURCE3 1 0.0000 0.0000
|
|
|
3257 hp-p2-pe 37.6 97.25 SOURCE3 16 7.5144 8.8916
|
|
|
3258 hp-p2-pf 37.6 97.25 SOURCE3 16 same as hp-p2-pe
|
|
|
3259 hp-p2-s 30.3 102.52 SOURCE3 1 0.0000 0.0000
|
|
|
3260 hp-p2-s4 26.3 89.99 SOURCE3 1 0.0000 0.0000
|
|
|
3261 hp-p2-s6 26.7 88.13 SOURCE3 1 0.0000 0.0000
|
|
|
3262 i -p2-i 35.8 104.16 SOURCE0 1
|
|
|
3263 i -p2-n2 34.6 101.77 SOURCE3 1 0.0000 0.0000
|
|
|
3264 i -p2-o 33.3 109.51 SOURCE3 1 0.0000 0.0000
|
|
|
3265 i -p2-p2 46.2 102.63 SOURCE3 1 0.0000 0.0000
|
|
|
3266 i -p2-s 35.2 110.60 SOURCE3 1 0.0000 0.0000
|
|
|
3267 n -p2-n2 43.6 98.85 SOURCE3 1 0.0000 0.0000
|
|
|
3268 n -p2-o 43.5 105.08 SOURCE3 1 0.0000 0.0000
|
|
|
3269 n -p2-p2 54.5 102.12 SOURCE3 1 0.0000 0.0000
|
|
|
3270 n -p2-s 41.2 112.34 SOURCE3 1 0.0000 0.0000
|
|
|
3271 n2-p2-n2 45.6 98.00 SOURCE0 1
|
|
|
3272 n2-p2-n3 44.1 100.42 SOURCE0 1
|
|
|
3273 n2-p2-n4 41.5 93.42 SOURCE3 1 0.0000 0.0000
|
|
|
3274 n2-p2-na 42.6 102.03 SOURCE3 1 0.0000 0.0000
|
|
|
3275 n2-p2-nh 43.7 101.87 SOURCE3 2 0.8491 0.8491
|
|
|
3276 n2-p2-no 43.6 98.12 SOURCE3 1 0.0000 0.0000
|
|
|
3277 n2-p2-o 43.5 115.34 SOURCE0 1
|
|
|
3278 n2-p2-oh 43.0 109.72 SOURCE3 1 0.0000 0.0000
|
|
|
3279 n2-p2-os 45.4 102.29 SOURCE3 1 0.0000 0.0000
|
|
|
3280 n2-p2-p3 49.6 99.51 SOURCE3 1 0.0000 0.0000
|
|
|
3281 n2-p2-p4 48.5 101.73 SOURCE0 1
|
|
|
3282 n2-p2-p5 50.5 93.68 SOURCE0 1
|
|
|
3283 n2-p2-s 42.5 112.94 SOURCE0 1
|
|
|
3284 n2-p2-s4 38.9 97.83 SOURCE0 1
|
|
|
3285 n2-p2-s6 39.0 98.14 SOURCE0 1
|
|
|
3286 n2-p2-sh 41.8 100.82 SOURCE3 1 0.0000 0.0000
|
|
|
3287 n2-p2-ss 41.6 101.76 SOURCE3 1 0.0000 0.0000
|
|
|
3288 n3-p2-n3 42.1 106.30 SOURCE0 1
|
|
|
3289 n3-p2-o 44.2 106.83 SOURCE0 1
|
|
|
3290 n3-p2-p2 55.8 100.58 SOURCE0 1
|
|
|
3291 n3-p2-s 43.2 105.75 SOURCE0 1
|
|
|
3292 n4-p2-n4 39.6 88.80 SOURCE0 1
|
|
|
3293 n4-p2-o 40.7 101.36 SOURCE3 1 0.0000 0.0000
|
|
|
3294 n4-p2-p2 52.7 96.53 SOURCE3 1 0.0000 0.0000
|
|
|
3295 n4-p2-s 40.1 104.98 SOURCE3 1 0.0000 0.0000
|
|
|
3296 na-p2-na 40.2 106.10 SOURCE0 1
|
|
|
3297 na-p2-o 42.7 107.46 SOURCE3 1 0.0000 0.0000
|
|
|
3298 na-p2-s 41.8 108.15 SOURCE3 1 0.0000 0.0000
|
|
|
3299 ne-p2-o 45.7 107.71 SOURCE0 1
|
|
|
3300 nf-p2-o 45.7 107.71 SOURCE0 1 same as ne-p2-o
|
|
|
3301 ne-p2-s 44.3 105.50 SOURCE0 1
|
|
|
3302 nf-p2-s 44.3 105.50 SOURCE0 1 same as ne-p2-s
|
|
|
3303 nh-p2-nh 42.3 104.00 SOURCE0 1
|
|
|
3304 nh-p2-o 43.7 108.11 SOURCE3 2 0.6773 0.6773
|
|
|
3305 nh-p2-p2 53.8 107.73 SOURCE3 3 2.7661 3.1678
|
|
|
3306 nh-p2-s 42.3 109.62 SOURCE3 2 1.7725 1.7725
|
|
|
3307 no-p2-no 42.1 98.20 SOURCE0 1
|
|
|
3308 no-p2-o 43.4 104.87 SOURCE3 1 0.0000 0.0000
|
|
|
3309 no-p2-p2 52.7 108.57 SOURCE3 3 7.7424 8.2121
|
|
|
3310 no-p2-s 41.8 109.06 SOURCE3 2 5.4074 5.4074
|
|
|
3311 o -p2-o 44.4 119.96 SOURCE0 1
|
|
|
3312 o -p2-oh 44.3 110.46 SOURCE3 1 0.0000 0.0000
|
|
|
3313 o -p2-os 45.6 108.81 SOURCE3 1 0.0000 0.0000
|
|
|
3314 o -p2-p2 54.6 114.23 SOURCE0 1
|
|
|
3315 o -p2-p3 48.5 106.69 SOURCE3 1 0.0000 0.0000
|
|
|
3316 o -p2-p4 48.4 104.37 SOURCE0 1
|
|
|
3317 o -p2-p5 48.4 104.49 SOURCE0 1
|
|
|
3318 o -p2-pe 46.7 145.96 SOURCE0 1
|
|
|
3319 o -p2-pf 46.7 145.96 SOURCE0 1 same as o -p2-pe
|
|
|
3320 o -p2-s 42.8 117.42 SOURCE0 1
|
|
|
3321 o -p2-s4 37.7 106.59 SOURCE0 1
|
|
|
3322 o -p2-s6 38.1 105.04 SOURCE0 1
|
|
|
3323 o -p2-sh 40.8 109.60 SOURCE3 1 0.0000 0.0000
|
|
|
3324 o -p2-ss 40.9 109.60 SOURCE3 1 0.0000 0.0000
|
|
|
3325 oh-p2-oh 45.0 100.10 SOURCE0 1
|
|
|
3326 oh-p2-p2 54.7 107.82 SOURCE3 2 2.6708 2.6708
|
|
|
3327 oh-p2-s 43.1 109.75 SOURCE3 1 0.0000 0.0000
|
|
|
3328 os-p2-os 47.0 98.30 SOURCE0 1
|
|
|
3329 os-p2-p2 57.1 101.46 SOURCE3 1 0.0000 0.0000
|
|
|
3330 os-p2-s 43.9 108.47 SOURCE3 3 1.6089 1.7065
|
|
|
3331 p2-p2-n2 57.6 97.40 SOURCE0 1
|
|
|
3332 p2-p2-p3 64.1 101.73 SOURCE3 1 0.0000 0.0000
|
|
|
3333 p2-p2-p4 63.4 101.98 SOURCE0 1
|
|
|
3334 p2-p2-p5 64.2 99.33 SOURCE0 1
|
|
|
3335 p2-p2-s 54.5 111.28 SOURCE0 1
|
|
|
3336 p2-p2-s4 51.5 95.73 SOURCE0 1
|
|
|
3337 p2-p2-s6 51.6 95.95 SOURCE0 1
|
|
|
3338 p2-p2-sh 50.8 113.94 SOURCE3 3 8.0148 8.5009
|
|
|
3339 p3-p2-p3 59.9 101.00 SOURCE0 1
|
|
|
3340 p3-p2-s 48.1 113.28 SOURCE3 2 6.7035 6.7035
|
|
|
3341 p4-p2-s 49.7 103.89 SOURCE0 1
|
|
|
3342 p5-p2-p5 62.8 89.40 SOURCE0 1
|
|
|
3343 p5-p2-s 50.4 101.21 SOURCE0 1
|
|
|
3344 pe-p2-s 54.5 106.35 SOURCE0 1
|
|
|
3345 pf-p2-s 54.5 106.35 SOURCE0 1 same as pe-p2-s
|
|
|
3346 s -p2-s 44.2 106.60 SOURCE0 1
|
|
|
3347 s -p2-s4 38.9 105.29 SOURCE0 1
|
|
|
3348 s -p2-s6 38.7 106.93 SOURCE0 1
|
|
|
3349 s -p2-sh 40.8 110.73 SOURCE3 2 0.0232 0.0232
|
|
|
3350 s -p2-ss 40.3 114.14 SOURCE3 4 5.9162 5.9223
|
|
|
3351 s4-p2-s4 40.0 85.30 SOURCE0 1
|
|
|
3352 s6-p2-s6 37.4 98.20 SOURCE0 1
|
|
|
3353 sh-p2-sh 41.3 98.50 SOURCE0 1
|
|
|
3354 ss-p2-ss 41.6 97.90 SOURCE0 1
|
|
|
3355 br-p3-br 41.3 103.54 SOURCE3 1 0.0000 0.0000
|
|
|
3356 br-p3-hp 26.9 96.36 SOURCE3 4 0.6701 0.6701
|
|
|
3357 c -p3-c 36.5 100.90 SOURCE3 1 0.0000 0.0000
|
|
|
3358 c -p3-c3 37.6 97.06 SOURCE3 3 1.0833 1.1490
|
|
|
3359 c -p3-hp 27.1 96.55 SOURCE3 6 0.4924 0.5223
|
|
|
3360 c -p3-os 43.9 81.32 SOURCE3 1 0.0000 0.0000
|
|
|
3361 c1-p3-c1 38.5 100.50 SOURCE3 1 0.0000 0.0000
|
|
|
3362 c1-p3-f 40.7 96.90 SOURCE2 1 0.0000 0.0000
|
|
|
3363 c1-p3-hp 28.1 97.67 SOURCE3 2 0.0000 0.0000
|
|
|
3364 c2-p3-c2 37.3 101.77 SOURCE3 3 0.0000 0.0000
|
|
|
3365 c2-p3-hp 27.6 97.85 SOURCE3 4 0.0000 0.0000
|
|
|
3366 c3-p3-c3 37.5 99.66 SOURCE3 40 0.8383 0.9854
|
|
|
3367 c3-p3-ca 37.3 101.94 SOURCE3 2 0.0000 0.0000
|
|
|
3368 c3-p3-cl 35.7 99.89 SOURCE3 1 0.0000 0.0000
|
|
|
3369 c3-p3-f 39.7 97.80 SOURCE2 1 0.0000 0.0000
|
|
|
3370 c3-p3-hp 27.5 97.66 SOURCE3 9 0.2559 0.4096
|
|
|
3371 c3-p3-n 38.8 101.77 SOURCE3 12 2.2839 2.4449
|
|
|
3372 c3-p3-n2 39.9 96.55 SOURCE3 2 0.0000 0.0000
|
|
|
3373 c3-p3-n3 39.3 101.18 SOURCE3 10 1.7890 2.2338
|
|
|
3374 c3-p3-n4 38.6 96.94 SOURCE3 6 0.4540 0.4815
|
|
|
3375 c3-p3-na 39.2 100.17 SOURCE3 4 0.0554 0.0554
|
|
|
3376 c3-p3-nh 38.6 104.50 SOURCE3 2 0.0000 0.0000
|
|
|
3377 c3-p3-no 39.0 96.98 SOURCE3 2 0.0000 0.0000
|
|
|
3378 c3-p3-o 39.3 111.67 SOURCE3 28 3.9148 5.3387
|
|
|
3379 c3-p3-oh 40.6 98.21 SOURCE3 2 0.0000 0.0000
|
|
|
3380 c3-p3-os 40.2 99.53 SOURCE3 3 1.6667 1.7678
|
|
|
3381 c3-p3-p3 45.8 100.31 SOURCE3 18 2.0337 2.1836
|
|
|
3382 c3-p3-p5 45.6 100.90 SOURCE3 10 2.6003 2.7070
|
|
|
3383 c3-p3-s4 37.9 98.88 SOURCE3 8 5.3873 6.2235
|
|
|
3384 c3-p3-s6 37.6 101.18 SOURCE3 12 5.5239 6.4536
|
|
|
3385 c3-p3-sh 37.4 98.71 SOURCE3 2 0.0000 0.0000
|
|
|
3386 c3-p3-ss 37.4 99.37 SOURCE3 2 0.0000 0.0000
|
|
|
3387 ca-p3-ca 37.9 99.86 SOURCE3 1 0.0000 0.0000
|
|
|
3388 ca-p3-hp 27.7 97.50 SOURCE3 2 0.0000 0.0000
|
|
|
3389 cl-p3-cl 33.9 102.82 SOURCE3 1 0.0000 0.0000
|
|
|
3390 cl-p3-f 37.0 99.20 SOURCE2 1 0.0000 0.0000
|
|
|
3391 cl-p3-hp 25.7 96.30 SOURCE3 3 0.5848 0.6203
|
|
|
3392 cx-p3-hp 27.5 95.20 SOURCE2 1 0.0000 0.0000
|
|
|
3393 f -p3-f 43.1 97.40 SOURCE2 8 1.3750 1.6636
|
|
|
3394 f -p3-hp 30.6 96.41 SOURCE3 2 0.0000 0.0000
|
|
|
3395 f -p3-n3 41.9 100.60 SOURCE2 1 0.0000 0.0000
|
|
|
3396 f -p3-os 42.4 102.20 SOURCE2 1 0.0000 0.0000
|
|
|
3397 f -p3-p3 47.1 97.20 SOURCE2 1 0.0000 0.0000
|
|
|
3398 hp-p3-hp 22.0 95.52 SOURCE3 44 1.2944 2.4200
|
|
|
3399 hp-p3-i 23.4 96.19 SOURCE3 4 0.6454 0.6454
|
|
|
3400 hp-p3-n 29.5 95.15 SOURCE3 2 0.0000 0.0000
|
|
|
3401 hp-p3-n2 29.1 98.28 SOURCE3 10 1.6390 1.8860
|
|
|
3402 hp-p3-n3 30.1 94.46 SOURCE3 2 0.0000 0.0000
|
|
|
3403 hp-p3-n4 28.3 93.21 SOURCE3 2 0.0000 0.0000
|
|
|
3404 hp-p3-na 29.2 97.27 SOURCE3 12 0.7938 0.9318
|
|
|
3405 hp-p3-nh 30.2 94.10 SOURCE3 2 0.0000 0.0000
|
|
|
3406 hp-p3-no 28.8 93.06 SOURCE3 2 0.0000 0.0000
|
|
|
3407 hp-p3-o 32.0 101.02 SOURCE3 2 0.0000 0.0000
|
|
|
3408 hp-p3-oh 30.7 95.95 SOURCE3 2 0.0000 0.0000
|
|
|
3409 hp-p3-os 30.4 97.35 SOURCE3 6 2.6706 2.8326
|
|
|
3410 hp-p3-p2 32.4 99.11 SOURCE3 16 2.7761 4.3022
|
|
|
3411 hp-p3-p3 32.1 95.52 SOURCE3 4 0.0844 0.0844
|
|
|
3412 hp-p3-p4 32.0 95.95 SOURCE3 6 0.0461 0.0489
|
|
|
3413 hp-p3-p5 32.1 95.54 SOURCE3 2 0.0000 0.0000
|
|
|
3414 hp-p3-s4 26.9 95.49 SOURCE3 2 0.0000 0.0000
|
|
|
3415 hp-p3-s6 27.4 92.95 SOURCE3 2 0.0000 0.0000
|
|
|
3416 hp-p3-sh 26.5 94.21 SOURCE3 2 0.0000 0.0000
|
|
|
3417 hp-p3-ss 26.6 94.61 SOURCE3 2 0.0000 0.0000
|
|
|
3418 i -p3-i 36.6 105.25 SOURCE3 1 0.0000 0.0000
|
|
|
3419 n -p3-n 40.0 104.58 SOURCE0 1
|
|
|
3420 n -p3-o 42.8 104.99 SOURCE3 4 0.0000 0.0000
|
|
|
3421 n2-p3-n2 40.4 103.46 SOURCE3 1 0.0000 0.0000
|
|
|
3422 n3-p3-n3 39.3 113.80 SOURCE3 1 0.0000 0.0000
|
|
|
3423 n3-p3-o 43.0 107.10 SOURCE3 4 0.0000 0.0000
|
|
|
3424 n3-p3-oh 43.1 98.36 SOURCE0 1
|
|
|
3425 n4-p3-n4 38.5 100.53 SOURCE3 1 0.0000 0.0000
|
|
|
3426 na-p3-na 39.9 106.22 SOURCE0 1
|
|
|
3427 nh-p3-nh 40.1 109.11 SOURCE3 1 0.0000 0.0000
|
|
|
3428 no-p3-no 39.6 98.33 SOURCE3 1 0.0000 0.0000
|
|
|
3429 o -p3-o 43.8 122.18 SOURCE3 2 7.8556 7.8556
|
|
|
3430 o -p3-p3 45.1 116.74 SOURCE3 14 0.5266 0.7525
|
|
|
3431 o -p3-p5 47.0 107.62 SOURCE3 4 0.0000 0.0000
|
|
|
3432 o -p3-s4 38.6 110.70 SOURCE3 4 0.7259 0.7259
|
|
|
3433 o -p3-s6 39.5 106.66 SOURCE3 6 3.2072 3.4017
|
|
|
3434 oh-p3-oh 42.8 104.48 SOURCE3 1 0.0000 0.0000
|
|
|
3435 os-p3-os 42.1 106.65 SOURCE3 1 0.0000 0.0000
|
|
|
3436 p2-p3-p2 59.1 103.58 SOURCE3 1 0.0000 0.0000
|
|
|
3437 p3-p3-p3 57.0 105.31 SOURCE3 4 3.1059 3.5864
|
|
|
3438 p4-p3-p4 58.7 99.09 SOURCE0 1
|
|
|
3439 p5-p3-p5 58.8 99.10 SOURCE3 1 0.0000 0.0000
|
|
|
3440 s -p3-s 34.1 131.32 SOURCE0 1
|
|
|
3441 s4-p3-s4 39.1 98.26 SOURCE3 1 0.0000 0.0000
|
|
|
3442 s6-p3-s6 39.4 97.78 SOURCE3 1 0.0000 0.0000
|
|
|
3443 sh-p3-sh 36.6 107.58 SOURCE3 1 0.0000 0.0000
|
|
|
3444 ss-p3-ss 36.5 109.24 SOURCE3 1 0.0000 0.0000
|
|
|
3445 br-p4-br 41.1 110.41 SOURCE0 1
|
|
|
3446 br-p4-o 37.8 124.80 SOURCE0 1
|
|
|
3447 c2-p4-c2 37.1 104.21 SOURCE0 1
|
|
|
3448 c2-p4-hp 27.7 99.50 SOURCE3 2 0.0000 0.0000
|
|
|
3449 c2-p4-o 39.4 113.59 SOURCE0 1
|
|
|
3450 c3-p4-c3 37.2 102.55 SOURCE3 4 0.0192 0.0192
|
|
|
3451 c3-p4-n 39.0 103.26 SOURCE3 1 0.0000 0.0000
|
|
|
3452 c3-p4-n2 39.1 103.17 SOURCE0 1
|
|
|
3453 c3-p4-n3 39.5 102.37 SOURCE3 1 0.0000 0.0000
|
|
|
3454 c3-p4-n4 37.5 99.57 SOURCE3 1 0.0000 0.0000
|
|
|
3455 c3-p4-na 37.9 117.67 SOURCE3 5 18.6523 19.0404
|
|
|
3456 c3-p4-nh 39.3 102.79 SOURCE3 1 0.0000 0.0000
|
|
|
3457 c3-p4-no 38.2 99.80 SOURCE3 3 0.2028 0.2151
|
|
|
3458 c3-p4-o 38.8 116.44 SOURCE3 25 1.6284 2.6494
|
|
|
3459 c3-p4-oh 41.0 98.56 SOURCE3 2 0.4558 0.4558
|
|
|
3460 c3-p4-os 41.2 98.01 SOURCE3 2 0.0931 0.0931
|
|
|
3461 c3-p4-p2 44.4 109.27 SOURCE0 1
|
|
|
3462 c3-p4-p3 45.1 103.53 SOURCE3 1 0.0000 0.0000
|
|
|
3463 c3-p4-p4 48.1 102.12 SOURCE0 1
|
|
|
3464 c3-p4-p5 44.6 104.15 SOURCE0 1
|
|
|
3465 c3-p4-sh 37.4 100.17 SOURCE3 2 0.0815 0.0815
|
|
|
3466 c3-p4-ss 37.4 101.19 SOURCE0 1
|
|
|
3467 ca-p4-ca 36.8 107.77 SOURCE0 1
|
|
|
3468 ca-p4-o 40.0 111.64 SOURCE0 1
|
|
|
3469 cl-p4-cl 33.8 103.51 SOURCE3 1 0.0000 0.0000
|
|
|
3470 cl-p4-o 36.0 116.53 SOURCE3 2 0.0000 0.0000
|
|
|
3471 hp-p4-hp 22.6 99.21 SOURCE3 4 5.1252 6.4572
|
|
|
3472 hp-p4-o 31.4 109.35 SOURCE3 6 9.0789 10.8284
|
|
|
3473 hp-p4-p3 31.4 98.96 SOURCE3 4 0.0000 0.0000
|
|
|
3474 hp-p4-s 24.3 110.24 SOURCE3 4 4.1081 4.1081
|
|
|
3475 i -p4-i 38.5 113.22 SOURCE3 2 6.7916 6.7916
|
|
|
3476 i -p4-o 37.7 110.22 SOURCE3 4 9.7726 9.7726
|
|
|
3477 n -p4-o 41.0 117.99 SOURCE3 1 0.0000 0.0000
|
|
|
3478 n2-p4-n2 41.5 102.54 SOURCE0 1
|
|
|
3479 n2-p4-o 40.8 120.28 SOURCE0 1
|
|
|
3480 n3-p4-o 42.5 113.27 SOURCE3 1 0.0000 0.0000
|
|
|
3481 n4-p4-o 39.6 107.61 SOURCE3 1 0.0000 0.0000
|
|
|
3482 na-p4-o 45.2 110.60 SOURCE3 5 1.1626 1.3133
|
|
|
3483 nh-p4-nh 43.5 95.30 SOURCE3 1 0.0000 0.0000
|
|
|
3484 nh-p4-o 41.9 115.86 SOURCE3 3 3.0841 3.2712
|
|
|
3485 no-p4-o 39.4 114.69 SOURCE3 3 0.1008 0.1070
|
|
|
3486 o -p4-o 45.1 117.22 SOURCE3 6 2.7792 2.7792
|
|
|
3487 o -p4-oh 42.9 117.39 SOURCE3 4 0.9528 1.0083
|
|
|
3488 o -p4-os 43.1 116.67 SOURCE3 4 0.6527 0.6923
|
|
|
3489 o -p4-p2 44.9 121.35 SOURCE0 1
|
|
|
3490 o -p4-p3 45.6 114.00 SOURCE3 3 0.6282 0.6663
|
|
|
3491 o -p4-p4 48.8 116.43 SOURCE0 1
|
|
|
3492 o -p4-p5 46.0 109.76 SOURCE0 1
|
|
|
3493 o -p4-s 37.3 112.78 SOURCE3 2 0.0000 0.0000
|
|
|
3494 o -p4-s4 35.8 112.19 SOURCE0 1
|
|
|
3495 o -p4-s6 35.2 113.89 SOURCE0 1
|
|
|
3496 o -p4-sh 37.0 118.09 SOURCE0 1
|
|
|
3497 o -p4-ss 37.5 116.14 SOURCE3 4 0.9499 1.0636
|
|
|
3498 oh-p4-oh 45.7 95.71 SOURCE3 1 0.0000 0.0000
|
|
|
3499 os-p4-os 44.7 100.34 SOURCE3 1 0.0000 0.0000
|
|
|
3500 p2-p4-p2 56.5 110.71 SOURCE0 1
|
|
|
3501 p3-p4-p3 54.5 114.98 SOURCE3 1 0.0000 0.0000
|
|
|
3502 p4-p4-p4 61.4 107.38 SOURCE0 1
|
|
|
3503 p5-p4-p5 55.8 107.78 SOURCE0 1
|
|
|
3504 s -p4-s 36.5 106.30 SOURCE3 2 25.0119 25.0119
|
|
|
3505 s4-p4-s4 36.6 96.24 SOURCE0 1
|
|
|
3506 s6-p4-s6 35.2 102.36 SOURCE0 1
|
|
|
3507 sh-p4-sh 38.5 98.81 SOURCE3 1 0.0000 0.0000
|
|
|
3508 ss-p4-ss 37.6 104.41 SOURCE3 1 0.0000 0.0000
|
|
|
3509 br-p5-br 42.0 103.38 SOURCE3 1 0.0000 0.0000
|
|
|
3510 br-p5-o 39.0 114.65 SOURCE3 3 1.0286 1.0910
|
|
|
3511 br-p5-oh 40.9 102.92 SOURCE3 4 0.5468 0.5468
|
|
|
3512 c -p5-c 36.2 104.16 SOURCE0 1
|
|
|
3513 c -p5-o 38.7 113.88 SOURCE0 1
|
|
|
3514 c -p5-oh 39.9 102.12 SOURCE0 1
|
|
|
3515 c1-p5-c1 38.8 102.89 SOURCE3 1 0.0000 0.0000
|
|
|
3516 c1-p5-o 40.3 115.77 SOURCE3 2 0.0000 0.0000
|
|
|
3517 c1-p5-oh 41.4 102.79 SOURCE3 2 0.0000 0.0000
|
|
|
3518 c2-p5-c2 36.8 106.56 SOURCE0 1
|
|
|
3519 c2-p5-o 39.4 114.81 SOURCE0 1
|
|
|
3520 c2-p5-oh 40.7 101.69 SOURCE0 1
|
|
|
3521 c2-p5-os 40.6 103.34 SOURCE0 1
|
|
|
3522 c3-p5-c3 37.0 106.23 SOURCE3 14 2.4917 2.6389
|
|
|
3523 c3-p5-hp 26.9 104.49 SOURCE3 1 0.0000 0.0000
|
|
|
3524 c3-p5-n3 40.0 102.76 SOURCE3 1 0.0000 0.0000
|
|
|
3525 c3-p5-o 39.9 112.50 SOURCE3 23 4.1385 4.4203
|
|
|
3526 c3-p5-oh 40.8 101.56 SOURCE3 17 1.4803 2.1803
|
|
|
3527 c3-p5-os 40.6 103.83 SOURCE3 4 2.0564 2.3806
|
|
|
3528 c3-p5-p4 44.3 106.27 SOURCE0 1
|
|
|
3529 c3-p5-s 37.5 113.40 SOURCE3 4 1.7378 2.0067
|
|
|
3530 c3-p5-ss 37.0 103.76 SOURCE3 1 0.0000 0.0000
|
|
|
3531 ca-p5-ca 37.1 107.53 SOURCE0 1
|
|
|
3532 ca-p5-o 39.9 113.98 SOURCE0 1
|
|
|
3533 ca-p5-oh 41.0 101.77 SOURCE0 1
|
|
|
3534 ca-p5-os 40.9 103.75 SOURCE0 1
|
|
|
3535 cl-p5-cl 33.8 103.70 SOURCE2 1 0.0000 0.0000
|
|
|
3536 cl-p5-o 36.3 115.32 SOURCE3 2 0.0000 0.0000
|
|
|
3537 cl-p5-oh 37.9 102.44 SOURCE3 2 0.0000 0.0000
|
|
|
3538 f -p5-f 42.5 99.96 SOURCE2 4 0.7600 0.9197
|
|
|
3539 f -p5-o 42.3 116.75 SOURCE3 2 0.0000 0.0000
|
|
|
3540 f -p5-oh 43.3 101.98 SOURCE3 2 0.0000 0.0000
|
|
|
3541 f -p5-s 38.1 117.40 SOURCE2 1 0.0000 0.0000
|
|
|
3542 ho-p5-os 7.9 102.31 SOURCE0 1
|
|
|
3543 hp-p5-hp 21.4 101.09 SOURCE3 4 1.1290 1.3036
|
|
|
3544 hp-p5-o 30.2 116.58 SOURCE3 7 1.0523 1.3282
|
|
|
3545 hp-p5-oh 30.6 101.45 SOURCE3 5 0.7264 0.9084
|
|
|
3546 hp-p5-s 26.0 119.20 SOURCE2 1 0.0000 0.0000
|
|
|
3547 i -p5-i 35.9 107.17 SOURCE3 1 0.0000 0.0000
|
|
|
3548 i -p5-o 33.0 115.93 SOURCE3 3 0.0392 0.0415
|
|
|
3549 i -p5-oh 35.4 102.26 SOURCE3 4 1.9577 1.9577
|
|
|
3550 n -p5-n 41.7 103.09 SOURCE3 1 0.0000 0.0000
|
|
|
3551 n -p5-o 42.1 115.26 SOURCE3 4 1.4228 1.6532
|
|
|
3552 n -p5-oh 43.1 102.44 SOURCE3 4 0.0999 0.0999
|
|
|
3553 n -p5-os 43.8 100.48 SOURCE3 2 0.0000 0.0000
|
|
|
3554 n2-p5-n2 44.0 106.34 SOURCE0 1
|
|
|
3555 n2-p5-o 44.3 113.53 SOURCE0 1
|
|
|
3556 n2-p5-oh 44.7 102.40 SOURCE0 1
|
|
|
3557 n3-p5-n3 43.8 99.11 SOURCE3 1 0.0000 0.0000
|
|
|
3558 n3-p5-o 43.2 113.54 SOURCE3 7 5.0248 5.6747
|
|
|
3559 n3-p5-oh 43.4 104.18 SOURCE3 6 0.4123 0.4373
|
|
|
3560 n3-p5-os 44.9 98.88 SOURCE3 2 0.0000 0.0000
|
|
|
3561 n4-p5-n4 39.2 102.20 SOURCE3 1 0.0000 0.0000
|
|
|
3562 n4-p5-o 41.1 109.78 SOURCE3 5 2.6856 2.7519
|
|
|
3563 n4-p5-oh 42.2 98.48 SOURCE3 6 0.3869 0.4104
|
|
|
3564 n4-p5-os 43.3 94.55 SOURCE3 2 0.0000 0.0000
|
|
|
3565 na-p5-na 40.6 108.57 SOURCE3 1 0.0000 0.0000
|
|
|
3566 na-p5-o 42.4 113.43 SOURCE3 11 0.7963 0.8968
|
|
|
3567 na-p5-oh 43.1 102.07 SOURCE3 16 1.2552 1.4144
|
|
|
3568 na-p5-os 43.2 103.06 SOURCE3 4 0.7463 0.7463
|
|
|
3569 nh-p5-nh 43.5 99.51 SOURCE3 1 0.0000 0.0000
|
|
|
3570 nh-p5-o 42.1 118.91 SOURCE3 3 1.2480 1.3237
|
|
|
3571 nh-p5-oh 43.4 103.81 SOURCE3 2 0.0000 0.0000
|
|
|
3572 nh-p5-os 44.4 100.51 SOURCE3 2 0.0000 0.0000
|
|
|
3573 no-p5-no 40.4 95.68 SOURCE3 1 0.0000 0.0000
|
|
|
3574 no-p5-o 40.5 112.75 SOURCE3 4 3.3675 3.3684
|
|
|
3575 no-p5-oh 41.6 101.35 SOURCE3 2 0.0000 0.0000
|
|
|
3576 no-p5-os 41.7 101.70 SOURCE3 4 0.0565 0.0565
|
|
|
3577 o -p5-o 46.0 115.80 SOURCE3 17 4.6921 5.7902
|
|
|
3578 o -p5-oh 43.8 115.03 SOURCE3 86 3.5330 4.9414
|
|
|
3579 o -p5-os 44.0 116.09 SOURCE3 35 2.3321 3.2062
|
|
|
3580 o -p5-p2 46.2 114.60 SOURCE0 1
|
|
|
3581 o -p5-p3 45.4 115.48 SOURCE3 9 1.7451 2.1084
|
|
|
3582 o -p5-p4 45.1 114.66 SOURCE0 1
|
|
|
3583 o -p5-p5 49.1 113.44 SOURCE0 1
|
|
|
3584 o -p5-s 40.5 116.94 SOURCE3 3 2.7818 2.9506
|
|
|
3585 o -p5-s4 39.6 110.23 SOURCE0 1
|
|
|
3586 o -p5-s6 39.3 111.75 SOURCE0 1
|
|
|
3587 o -p5-sh 38.1 114.56 SOURCE3 3 1.6636 1.7645
|
|
|
3588 o -p5-ss 38.0 112.46 SOURCE3 6 2.2289 2.7392
|
|
|
3589 oh-p5-oh 44.6 102.45 SOURCE3 39 1.8849 2.4223
|
|
|
3590 oh-p5-os 44.9 102.37 SOURCE3 8 1.0873 1.5063
|
|
|
3591 oh-p5-p2 48.2 103.53 SOURCE0 1
|
|
|
3592 oh-p5-p3 47.5 103.83 SOURCE3 13 0.4174 0.4303
|
|
|
3593 oh-p5-p4 47.6 101.79 SOURCE0 1
|
|
|
3594 oh-p5-p5 51.4 100.45 SOURCE0 1
|
|
|
3595 oh-p5-s 42.2 102.88 SOURCE3 3 1.5127 1.6044
|
|
|
3596 oh-p5-s4 40.3 103.24 SOURCE0 1
|
|
|
3597 oh-p5-s6 40.7 101.48 SOURCE0 1
|
|
|
3598 oh-p5-sh 40.0 101.41 SOURCE3 2 0.0000 0.0000
|
|
|
3599 oh-p5-ss 39.0 104.33 SOURCE3 6 1.8962 2.0112
|
|
|
3600 os-p5-os 45.2 102.46 SOURCE3 16 2.7156 3.4477
|
|
|
3601 os-p5-p3 47.7 103.67 SOURCE3 2 0.0000 0.0000
|
|
|
3602 os-p5-p5 50.6 104.48 SOURCE0 1
|
|
|
3603 os-p5-s4 40.6 102.52 SOURCE0 1
|
|
|
3604 os-p5-s6 40.7 101.89 SOURCE0 1
|
|
|
3605 os-p5-sh 39.5 104.59 SOURCE3 2 0.0000 0.0000
|
|
|
3606 os-p5-ss 39.9 100.24 SOURCE3 3 5.9143 6.2730
|
|
|
3607 p2-p5-p2 57.4 107.14 SOURCE0 1
|
|
|
3608 p3-p5-p3 57.0 105.23 SOURCE3 3 4.8106 5.1024
|
|
|
3609 p4-p5-p4 57.4 101.62 SOURCE0 1
|
|
|
3610 p5-p5-p5 59.4 112.72 SOURCE0 1
|
|
|
3611 s -p5-s 39.4 114.13 SOURCE3 1 0.0000 0.0000
|
|
|
3612 s6-p5-s6 38.6 105.18 SOURCE0 1
|
|
|
3613 sh-p5-sh 38.0 104.56 SOURCE3 1 0.0000 0.0000
|
|
|
3614 sh-p5-ss 37.3 107.13 SOURCE0 1
|
|
|
3615 ss-p5-ss 36.6 109.61 SOURCE3 1 0.0000 0.0000
|
|
|
3616 cd-pc-n 42.8 90.80 SOURCE3 3 2.2084 2.3423
|
|
|
3617 cc-pd-n 42.8 90.80 SOURCE3 3 same as cd-pc-n
|
|
|
3618 cd-pc-na 43.0 90.18 SOURCE3 81 2.4347 2.7619
|
|
|
3619 cc-pd-na 43.0 90.18 SOURCE3 81 same as cd-pc-na
|
|
|
3620 c -pe-c2 38.6 97.30 SOURCE3 3 0.0316 0.0335
|
|
|
3621 c -pf-c2 38.6 97.30 SOURCE3 3 same as c -pe-c2
|
|
|
3622 c2-pe-ca 38.8 101.44 SOURCE3 3 0.6764 0.7177
|
|
|
3623 c2-pf-ca 38.8 101.44 SOURCE3 3 same as c2-pe-ca
|
|
|
3624 c2-pe-ce 38.7 103.01 SOURCE3 4 1.4470 1.4470
|
|
|
3625 c2-pf-cf 38.7 103.01 SOURCE3 4 same as c2-pe-ce
|
|
|
3626 c2-pe-cg 40.8 104.03 SOURCE3 3 3.6524 3.8740
|
|
|
3627 c2-pf-ch 40.8 104.03 SOURCE3 3 same as c2-pe-cg
|
|
|
3628 c2-pe-n2 44.9 94.14 SOURCE0 1
|
|
|
3629 c2-pf-n2 44.9 94.14 SOURCE0 1 same as c2-pe-n2
|
|
|
3630 c2-pe-ne 41.8 98.70 SOURCE3 12 3.8876 5.3383
|
|
|
3631 c2-pf-nf 41.8 98.70 SOURCE3 12 same as c2-pe-ne
|
|
|
3632 c2-pe-o 41.1 115.16 SOURCE3 2 0.0149 0.0149
|
|
|
3633 c2-pf-o 41.1 115.16 SOURCE3 2 same as c2-pe-o
|
|
|
3634 c2-pe-p2 50.9 107.82 SOURCE0 1
|
|
|
3635 c2-pf-p2 50.9 107.82 SOURCE0 1 same as c2-pe-p2
|
|
|
3636 c2-pe-pe 48.2 102.99 SOURCE3 9 7.0590 8.2860
|
|
|
3637 c2-pf-pf 48.2 102.99 SOURCE3 9 same as c2-pe-pe
|
|
|
3638 c2-pe-px 51.1 97.37 SOURCE3 4 0.5674 0.6655
|
|
|
3639 c2-pf-px 51.1 97.37 SOURCE3 4 same as c2-pe-px
|
|
|
3640 c2-pe-py 50.9 96.71 SOURCE3 4 0.9336 1.2755
|
|
|
3641 c2-pf-py 50.9 96.71 SOURCE3 4 same as c2-pe-py
|
|
|
3642 c2-pe-s 41.1 111.16 SOURCE3 2 0.0000 0.0000
|
|
|
3643 c2-pf-s 41.1 111.16 SOURCE3 2 same as c2-pe-s
|
|
|
3644 c2-pe-sx 38.5 95.11 SOURCE3 4 0.2597 0.2676
|
|
|
3645 c2-pf-sx 38.5 95.11 SOURCE3 4 same as c2-pe-sx
|
|
|
3646 c2-pe-sy 37.8 95.56 SOURCE3 2 0.0462 0.0462
|
|
|
3647 c2-pf-sy 37.8 95.56 SOURCE3 2 same as c2-pe-sy
|
|
|
3648 ca-pe-n2 41.0 102.03 SOURCE3 1 0.0000 0.0000
|
|
|
3649 ca-pf-n2 41.0 102.03 SOURCE3 1 same as ca-pe-n2
|
|
|
3650 ca-pe-o 40.4 106.88 SOURCE3 2 0.0018 0.0018
|
|
|
3651 ca-pf-o 40.4 106.88 SOURCE3 2 same as ca-pe-o
|
|
|
3652 ca-pe-p2 51.0 100.79 SOURCE3 1 0.0000 0.0000
|
|
|
3653 ca-pf-p2 51.0 100.79 SOURCE3 1 same as ca-pe-p2
|
|
|
3654 ca-pe-pf 48.4 99.70 SOURCE3 2 0.0000 0.0000
|
|
|
3655 ca-pf-pe 48.4 99.70 SOURCE3 2 0.0000 0.0000
|
|
|
3656 ca-pe-s 40.1 107.93 SOURCE3 1 0.0000 0.0000
|
|
|
3657 ca-pf-s 40.1 107.93 SOURCE3 1 same as ca-pe-s
|
|
|
3658 ce-pe-n2 41.4 100.55 SOURCE3 1 0.0000 0.0000
|
|
|
3659 cf-pf-n2 41.4 100.55 SOURCE3 1 same as ce-pe-n2
|
|
|
3660 ce-pe-o 40.5 107.44 SOURCE3 1 0.0000 0.0000
|
|
|
3661 cf-pf-o 40.5 107.44 SOURCE3 1 same as ce-pe-o
|
|
|
3662 ce-pe-p2 51.4 99.56 SOURCE3 1 0.0000 0.0000
|
|
|
3663 cf-pf-p2 51.4 99.56 SOURCE3 1 same as ce-pe-p2
|
|
|
3664 ce-pe-s 40.7 105.54 SOURCE3 1 0.0000 0.0000
|
|
|
3665 cf-pf-s 40.7 105.54 SOURCE3 1 same as ce-pe-s
|
|
|
3666 cg-pe-n2 44.3 101.79 SOURCE3 1 0.0000 0.0000
|
|
|
3667 ch-pf-n2 44.3 101.79 SOURCE3 1 same as cg-pe-n2
|
|
|
3668 cg-pe-o 43.6 107.62 SOURCE3 1 0.0000 0.0000
|
|
|
3669 ch-pf-o 43.6 107.62 SOURCE3 1 same as cg-pe-o
|
|
|
3670 cg-pe-p2 52.5 104.68 SOURCE3 2 5.1435 5.1435
|
|
|
3671 ch-pf-p2 52.5 104.68 SOURCE3 2 same as cg-pe-p2
|
|
|
3672 cg-pe-s 42.3 108.60 SOURCE3 4 2.6981 2.6981
|
|
|
3673 ch-pf-s 42.3 108.60 SOURCE3 4 same as cg-pe-s
|
|
|
3674 n2-pe-n2 45.3 108.14 SOURCE0 1
|
|
|
3675 n2-pf-n2 45.3 108.14 SOURCE0 1 same as n2-pe-n2
|
|
|
3676 n2-pe-ne 42.9 106.80 SOURCE3 6 3.8963 4.5981
|
|
|
3677 n2-pf-nf 42.9 106.80 SOURCE3 6 same as n2-pe-ne
|
|
|
3678 n2-pe-o 44.3 115.39 SOURCE3 1 0.0000 0.0000
|
|
|
3679 n2-pf-o 44.3 115.39 SOURCE3 1 same as n2-pe-o
|
|
|
3680 n2-pe-p2 52.9 111.60 SOURCE0 1
|
|
|
3681 n2-pf-p2 52.9 111.60 SOURCE0 1 same as n2-pe-p2
|
|
|
3682 n2-pe-pe 48.7 109.40 SOURCE3 1 0.0000 0.0000
|
|
|
3683 n2-pf-pf 48.7 109.40 SOURCE3 1 same as n2-pe-pe
|
|
|
3684 n2-pe-px 50.3 110.30 SOURCE3 3 5.7085 6.0548
|
|
|
3685 n2-pf-px 50.3 110.30 SOURCE3 3 same as n2-pe-px
|
|
|
3686 n2-pe-py 54.1 93.68 SOURCE3 1 0.0000 0.0000
|
|
|
3687 n2-pf-py 54.1 93.68 SOURCE3 1 same as n2-pe-py
|
|
|
3688 n2-pe-s 42.9 114.84 SOURCE3 3 3.4424 3.6512
|
|
|
3689 n2-pf-s 42.9 114.84 SOURCE3 3 same as n2-pe-s
|
|
|
3690 n2-pe-sx 39.4 97.83 SOURCE3 1 0.0000 0.0000
|
|
|
3691 n2-pf-sx 39.4 97.83 SOURCE3 1 same as n2-pe-sx
|
|
|
3692 n2-pe-sy 38.6 98.14 SOURCE3 1 0.0000 0.0000
|
|
|
3693 n2-pf-sy 38.6 98.14 SOURCE3 1 same as n2-pe-sy
|
|
|
3694 ne-pe-o 42.7 110.24 SOURCE3 3 3.3676 3.8478
|
|
|
3695 nf-pf-o 42.7 110.24 SOURCE3 3 same as ne-pe-o
|
|
|
3696 ne-pe-p2 52.8 104.48 SOURCE3 2 7.1207 7.1207
|
|
|
3697 nf-pf-p2 52.8 104.48 SOURCE3 2 same as ne-pe-p2
|
|
|
3698 ne-pe-s 42.2 109.19 SOURCE3 5 2.9509 3.6708
|
|
|
3699 nf-pf-s 42.2 109.19 SOURCE3 5 same as ne-pe-s
|
|
|
3700 o -pe-o 44.0 119.96 SOURCE3 1 0.0000 0.0000
|
|
|
3701 o -pf-o 44.0 119.96 SOURCE3 1 same as o -pe-o
|
|
|
3702 o -pe-p2 52.7 114.23 SOURCE3 1 0.0000 0.0000
|
|
|
3703 o -pf-p2 52.7 114.23 SOURCE3 1 same as o -pe-p2
|
|
|
3704 o -pe-pe 42.5 145.96 SOURCE3 1 0.0000 0.0000
|
|
|
3705 o -pf-pf 42.5 145.96 SOURCE3 1 same as o -pe-pe
|
|
|
3706 o -pe-px 52.1 104.37 SOURCE3 1 0.0000 0.0000
|
|
|
3707 o -pf-px 52.1 104.37 SOURCE3 1 same as o -pe-px
|
|
|
3708 o -pe-py 51.6 104.49 SOURCE3 1 0.0000 0.0000
|
|
|
3709 o -pf-py 51.6 104.49 SOURCE3 1 same as o -pe-py
|
|
|
3710 o -pe-s 42.9 117.42 SOURCE3 2 0.0426 0.0426
|
|
|
3711 o -pf-s 42.9 117.42 SOURCE3 2 same as o -pe-s
|
|
|
3712 o -pe-sx 38.0 106.59 SOURCE3 1 0.0000 0.0000
|
|
|
3713 o -pf-sx 38.0 106.59 SOURCE3 1 same as o -pe-sx
|
|
|
3714 o -pe-sy 37.6 105.04 SOURCE3 1 0.0000 0.0000
|
|
|
3715 o -pf-sy 37.6 105.04 SOURCE3 1 same as o -pe-sy
|
|
|
3716 p2-pe-pe 65.6 98.24 SOURCE3 1 0.0000 0.0000
|
|
|
3717 p2-pf-pf 65.6 98.24 SOURCE3 1 same as p2-pe-pe
|
|
|
3718 p2-pe-px 64.1 108.28 SOURCE3 2 6.2959 6.2959
|
|
|
3719 p2-pf-px 64.1 108.28 SOURCE3 2 same as p2-pe-px
|
|
|
3720 p2-pe-py 63.0 110.87 SOURCE3 3 7.6976 8.1645
|
|
|
3721 p2-pf-py 63.0 110.87 SOURCE3 3 same as p2-pe-py
|
|
|
3722 p2-pe-s 53.4 111.28 SOURCE3 1 0.0000 0.0000
|
|
|
3723 p2-pf-s 53.4 111.28 SOURCE3 1 same as p2-pe-s
|
|
|
3724 p2-pe-sx 51.3 95.73 SOURCE3 1 0.0000 0.0000
|
|
|
3725 p2-pf-sx 51.3 95.73 SOURCE3 1 same as p2-pe-sx
|
|
|
3726 p2-pe-sy 50.5 95.95 SOURCE3 1 0.0000 0.0000
|
|
|
3727 p2-pf-sy 50.5 95.95 SOURCE3 1 same as p2-pe-sy
|
|
|
3728 pe-pe-s 50.4 107.91 SOURCE3 2 1.5577 1.5577
|
|
|
3729 pf-pf-s 50.4 107.91 SOURCE3 2 same as pe-pe-s
|
|
|
3730 px-pe-s 52.0 107.62 SOURCE3 2 3.7266 3.7266
|
|
|
3731 px-pf-s 52.0 107.62 SOURCE3 2 same as px-pe-s
|
|
|
3732 py-pe-s 51.4 108.73 SOURCE3 3 5.0158 5.3201
|
|
|
3733 py-pf-s 51.4 108.73 SOURCE3 3 same as py-pe-s
|
|
|
3734 s -pe-s 34.4 178.44 SOURCE3 1 0.0000 0.0000
|
|
|
3735 s -pf-s 34.4 178.44 SOURCE3 1 same as s -pe-s
|
|
|
3736 s -pe-sx 38.7 108.32 SOURCE3 2 3.0318 3.0318
|
|
|
3737 s -pf-sx 38.7 108.32 SOURCE3 2 same as s -pe-sx
|
|
|
3738 s -pe-sy 38.4 106.93 SOURCE3 1 0.0000 0.0000
|
|
|
3739 s -pf-sy 38.4 106.93 SOURCE3 1 same as s -pe-sy
|
|
|
3740 c -px-c3 36.7 101.72 SOURCE3 1 0.0000 0.0000
|
|
|
3741 c -px-o 38.0 114.47 SOURCE3 1 0.0000 0.0000
|
|
|
3742 c3-px-ca 37.0 104.79 SOURCE3 1 0.0000 0.0000
|
|
|
3743 c3-px-ce 37.0 104.86 SOURCE3 4 0.5282 0.6354
|
|
|
3744 c3-px-cf 37.0 104.86 SOURCE3 4 same as c3-px-ce
|
|
|
3745 c3-px-ne 39.5 102.46 SOURCE3 7 1.2108 1.8685
|
|
|
3746 c3-px-nf 39.5 102.46 SOURCE3 7 same as c3-px-ne
|
|
|
3747 c3-px-o 39.4 113.68 SOURCE3 28 3.8637 4.8990
|
|
|
3748 c3-px-pe 47.8 105.73 SOURCE3 10 3.6317 4.4059
|
|
|
3749 c3-px-pf 47.8 105.73 SOURCE3 10 same as c3-px-pe
|
|
|
3750 c3-px-py 45.5 103.11 SOURCE3 3 0.8183 0.8680
|
|
|
3751 c3-px-sx 36.1 99.55 SOURCE3 1 0.0000 0.0000
|
|
|
3752 c3-px-sy 35.3 103.41 SOURCE3 1 0.0000 0.0000
|
|
|
3753 ca-px-ca 37.1 104.15 SOURCE3 2 3.6168 3.6168
|
|
|
3754 ca-px-o 40.5 107.50 SOURCE3 5 5.5918 5.7355
|
|
|
3755 ce-px-ce 37.1 104.21 SOURCE3 1 0.0000 0.0000
|
|
|
3756 cf-px-cf 37.1 104.21 SOURCE3 1 same as ce-px-ce
|
|
|
3757 ce-px-o 39.4 113.79 SOURCE3 6 0.3605 0.3877
|
|
|
3758 cf-px-o 39.4 113.79 SOURCE3 6 same as ce-px-o
|
|
|
3759 ne-px-ne 41.9 103.22 SOURCE3 2 0.6807 0.6807
|
|
|
3760 nf-px-nf 41.9 103.22 SOURCE3 2 same as ne-px-ne
|
|
|
3761 ne-px-o 42.3 114.13 SOURCE3 11 6.5928 8.9737
|
|
|
3762 nf-px-o 42.3 114.13 SOURCE3 11 same as ne-px-o
|
|
|
3763 o -px-pe 49.4 116.50 SOURCE3 12 5.9082 8.2925
|
|
|
3764 o -px-pf 49.4 116.50 SOURCE3 12 same as o -px-pe
|
|
|
3765 o -px-py 45.9 114.20 SOURCE3 5 1.2921 1.7165
|
|
|
3766 o -px-sx 35.8 112.81 SOURCE3 3 0.8296 0.8799
|
|
|
3767 o -px-sy 35.6 113.54 SOURCE3 3 0.4723 0.5010
|
|
|
3768 pe-px-pe 61.4 110.71 SOURCE3 1 0.0000 0.0000
|
|
|
3769 pf-px-pf 61.4 110.71 SOURCE3 1 same as pe-px-pe
|
|
|
3770 py-px-py 56.7 107.78 SOURCE3 1 0.0000 0.0000
|
|
|
3771 sx-px-sx 36.8 96.24 SOURCE3 1 0.0000 0.0000
|
|
|
3772 sy-px-sy 35.5 102.36 SOURCE3 1 0.0000 0.0000
|
|
|
3773 c -py-c 36.2 104.20 SOURCE3 1 0.0000 0.0000
|
|
|
3774 c -py-c3 35.7 110.36 SOURCE3 1 0.0000 0.0000
|
|
|
3775 c -py-o 38.5 115.25 SOURCE3 6 1.8195 2.6519
|
|
|
3776 c -py-oh 40.0 102.14 SOURCE3 6 1.0044 1.0654
|
|
|
3777 c -py-os 41.3 95.74 SOURCE3 3 8.5794 9.0999
|
|
|
3778 c3-py-n4 37.3 103.83 SOURCE3 4 0.0000 0.0000
|
|
|
3779 c3-py-na 38.8 106.89 SOURCE3 2 0.0000 0.0000
|
|
|
3780 c3-py-o 38.9 117.87 SOURCE3 13 2.2138 2.3554
|
|
|
3781 c3-py-oh 41.2 100.16 SOURCE3 2 0.0000 0.0000
|
|
|
3782 c3-py-os 40.2 105.39 SOURCE3 1 0.0000 0.0000
|
|
|
3783 c3-py-px 44.9 106.27 SOURCE3 2 0.0000 0.0000
|
|
|
3784 c3-py-py 43.5 113.97 SOURCE3 10 1.4783 1.6346
|
|
|
3785 c3-py-sx 34.7 106.36 SOURCE3 4 0.0000 0.0000
|
|
|
3786 ca-py-ca 37.0 107.55 SOURCE3 1 0.0000 0.0000
|
|
|
3787 ca-py-o 39.8 113.98 SOURCE3 3 0.5006 0.5309
|
|
|
3788 ca-py-oh 41.1 101.78 SOURCE3 2 0.0000 0.0000
|
|
|
3789 ca-py-os 40.7 103.75 SOURCE3 2 0.0000 0.0000
|
|
|
3790 ce-py-ce 37.3 106.54 SOURCE3 1 0.0000 0.0000
|
|
|
3791 cf-py-cf 37.3 106.54 SOURCE3 1 same as ce-py-ce
|
|
|
3792 ce-py-o 40.2 112.16 SOURCE3 5 3.1814 3.2594
|
|
|
3793 cf-py-o 40.2 112.16 SOURCE3 5 same as ce-py-o
|
|
|
3794 ce-py-oh 40.6 104.77 SOURCE3 6 2.0602 2.1852
|
|
|
3795 cf-py-oh 40.6 104.77 SOURCE3 6 same as ce-py-oh
|
|
|
3796 ce-py-os 40.8 103.34 SOURCE3 2 0.0000 0.0000
|
|
|
3797 cf-py-os 40.8 103.34 SOURCE3 2 same as ce-py-os
|
|
|
3798 n4-py-o 38.8 115.58 SOURCE3 4 0.0000 0.0000
|
|
|
3799 n4-py-py 63.2 55.10 SOURCE3 4 0.0000 0.0000
|
|
|
3800 na-py-o 40.8 122.40 SOURCE3 2 0.0000 0.0000
|
|
|
3801 na-py-py 67.7 50.88 SOURCE3 2 0.0000 0.0000
|
|
|
3802 ne-py-ne 40.9 106.29 SOURCE3 1 0.0000 0.0000
|
|
|
3803 nf-py-nf 40.9 106.29 SOURCE3 1 same as ne-py-ne
|
|
|
3804 ne-py-o 42.3 113.21 SOURCE3 15 3.5046 3.8894
|
|
|
3805 nf-py-o 42.3 113.21 SOURCE3 15 same as ne-py-o
|
|
|
3806 ne-py-oh 42.6 104.70 SOURCE3 26 2.5109 2.7513
|
|
|
3807 nf-py-oh 42.6 104.70 SOURCE3 26 same as ne-py-oh
|
|
|
3808 ne-py-os 43.3 101.33 SOURCE3 2 0.0000 0.0000
|
|
|
3809 nf-py-os 43.3 101.33 SOURCE3 2 same as ne-py-os
|
|
|
3810 o -py-oh 43.7 116.14 SOURCE3 79 1.6546 2.1455
|
|
|
3811 o -py-os 43.6 116.79 SOURCE3 17 1.1002 1.3534
|
|
|
3812 o -py-pe 49.5 114.56 SOURCE3 12 2.8971 3.6114
|
|
|
3813 o -py-pf 49.5 114.56 SOURCE3 12 same as o -py-pe
|
|
|
3814 o -py-px 46.5 111.37 SOURCE3 5 0.3464 0.3803
|
|
|
3815 o -py-py 45.0 120.43 SOURCE3 16 5.2423 6.0629
|
|
|
3816 o -py-sx 34.7 118.56 SOURCE3 7 6.2302 6.2976
|
|
|
3817 o -py-sy 37.0 111.71 SOURCE3 5 1.0701 1.1937
|
|
|
3818 oh-py-oh 45.1 101.78 SOURCE3 35 1.6164 2.2937
|
|
|
3819 oh-py-pe 51.0 104.84 SOURCE3 22 1.8517 2.0337
|
|
|
3820 oh-py-pf 51.0 104.84 SOURCE3 22 same as oh-py-pe
|
|
|
3821 oh-py-px 47.7 104.30 SOURCE3 8 1.0656 1.2772
|
|
|
3822 oh-py-py 48.9 100.45 SOURCE3 6 0.0000 0.0000
|
|
|
3823 oh-py-sx 37.4 100.94 SOURCE3 4 0.0000 0.0000
|
|
|
3824 oh-py-sy 38.5 101.47 SOURCE3 6 0.2348 0.2490
|
|
|
3825 os-py-os 45.1 101.25 SOURCE3 8 1.4909 2.0860
|
|
|
3826 os-py-py 47.9 104.48 SOURCE3 4 0.0000 0.0000
|
|
|
3827 os-py-sx 36.9 103.86 SOURCE3 2 0.0000 0.0000
|
|
|
3828 os-py-sy 38.4 102.12 SOURCE3 2 0.0000 0.0000
|
|
|
3829 pe-py-pe 61.8 107.14 SOURCE3 1 0.0000 0.0000
|
|
|
3830 pf-py-pf 61.8 107.14 SOURCE3 1 same as pe-py-pe
|
|
|
3831 py-py-py 55.8 112.70 SOURCE3 1 0.0000 0.0000
|
|
|
3832 py-py-sx 58.7 61.54 SOURCE3 4 0.0000 0.0000
|
|
|
3833 sy-py-sy 36.1 105.17 SOURCE3 1 0.0000 0.0000
|
|
|
3834 c1-s2-o 65.8 117.25 SOURCE3 1 0.0000 0.0000
|
|
|
3835 c2-s2-n2 68.7 110.84 SOURCE3 1 0.0000 0.0000
|
|
|
3836 c2-s2-o 66.2 114.70 SOURCE2 1 0.0000 0.0000
|
|
|
3837 cl-s2-n1 53.4 117.70 SOURCE2 1 0.0000 0.0000
|
|
|
3838 f -s2-n1 66.1 116.90 SOURCE2 1 0.0000 0.0000
|
|
|
3839 n2-s2-o 67.9 121.20 SOURCE2 2 0.8000 0.8000
|
|
|
3840 o -s2-o 68.0 116.17 SOURCE3 1 0.0000 0.0000
|
|
|
3841 o -s2-s 63.8 118.30 SOURCE2 1 0.0000 0.0000
|
|
|
3842 s -s2-s 63.5 115.04 SOURCE3 1 0.0000 0.0000
|
|
|
3843 br-s4-br 64.6 98.02 SOURCE0 1
|
|
|
3844 br-s4-c3 62.2 92.98 SOURCE3 1 0.0000 0.0000
|
|
|
3845 br-s4-o 59.2 112.07 SOURCE3 1 0.0000 0.0000
|
|
|
3846 c -s4-c 63.3 86.83 SOURCE0 1
|
|
|
3847 c -s4-c3 61.5 95.07 SOURCE0 1
|
|
|
3848 c -s4-o 64.0 106.17 SOURCE0 1
|
|
|
3849 c1-s4-c1 65.4 93.55 SOURCE3 1 0.0000 0.0000
|
|
|
3850 c1-s4-o 66.0 110.36 SOURCE3 2 0.0000 0.0000
|
|
|
3851 c2-s4-c2 62.0 102.29 SOURCE0 1
|
|
|
3852 c2-s4-c3 63.5 94.95 SOURCE0 1
|
|
|
3853 c2-s4-o 66.6 107.09 SOURCE0 1
|
|
|
3854 c3-s4-c3 62.1 96.82 SOURCE3 11 1.3798 1.5580
|
|
|
3855 c3-s4-ca 63.0 95.00 SOURCE0 1
|
|
|
3856 c3-s4-f 66.3 91.70 SOURCE3 1 0.0000 0.0000
|
|
|
3857 c3-s4-hs 46.5 90.60 SOURCE3 1 0.0000 0.0000
|
|
|
3858 c3-s4-i 52.9 90.53 SOURCE3 1 0.0000 0.0000
|
|
|
3859 c3-s4-n 64.3 96.07 SOURCE3 4 0.8172 1.0354
|
|
|
3860 c3-s4-n2 69.1 90.59 SOURCE0 1
|
|
|
3861 c3-s4-n3 65.2 94.49 SOURCE3 4 1.5239 1.5570
|
|
|
3862 c3-s4-n4 62.0 92.47 SOURCE3 1 0.0000 0.0000
|
|
|
3863 c3-s4-na 65.1 93.07 SOURCE3 10 1.5730 1.8813
|
|
|
3864 c3-s4-nh 64.5 97.08 SOURCE3 1 0.0000 0.0000
|
|
|
3865 c3-s4-no 62.5 89.53 SOURCE3 1 0.0000 0.0000
|
|
|
3866 c3-s4-o 65.6 106.21 SOURCE3 60 1.3147 2.0426
|
|
|
3867 c3-s4-oh 67.3 93.88 SOURCE3 1 0.0000 0.0000
|
|
|
3868 c3-s4-os 68.2 90.06 SOURCE3 4 0.3752 0.4484
|
|
|
3869 c3-s4-p2 76.4 94.37 SOURCE0 1
|
|
|
3870 c3-s4-p3 78.2 96.54 SOURCE3 4 1.1521 1.3634
|
|
|
3871 c3-s4-p4 73.7 97.40 SOURCE0 1
|
|
|
3872 c3-s4-p5 78.3 99.18 SOURCE0 1
|
|
|
3873 c3-s4-s 61.3 98.72 SOURCE3 2 0.0185 0.0185
|
|
|
3874 c3-s4-s4 64.3 89.50 SOURCE0 1
|
|
|
3875 c3-s4-s6 61.6 97.48 SOURCE0 1
|
|
|
3876 c3-s4-sh 60.7 94.66 SOURCE3 1 0.0000 0.0000
|
|
|
3877 c3-s4-ss 60.6 95.31 SOURCE3 3 1.3294 1.4101
|
|
|
3878 ca-s4-ca 63.3 95.21 SOURCE0 1
|
|
|
3879 ca-s4-o 66.0 106.63 SOURCE0 1
|
|
|
3880 cl-s4-cl 53.9 97.68 SOURCE3 1 0.0000 0.0000
|
|
|
3881 cl-s4-o 58.1 108.34 SOURCE3 2 0.0000 0.0000
|
|
|
3882 cx-s4-cx 86.7 48.80 SOURCE2 1 0.0000 0.0000
|
|
|
3883 cx-s4-o 64.1 110.00 SOURCE2 1 0.0000 0.0000
|
|
|
3884 f -s4-f 70.0 92.71 SOURCE2 3 0.1400 0.1490
|
|
|
3885 f -s4-o 70.1 106.81 SOURCE2 2 0.0100 0.0100
|
|
|
3886 f -s4-s 59.8 107.50 SOURCE2 1 0.0000 0.0000
|
|
|
3887 hn-s4-hs 10.2 86.99 SOURCE0 1
|
|
|
3888 hs-s4-hs 37.8 87.00 SOURCE3 2 0.0202 0.0202
|
|
|
3889 hs-s4-o 49.8 110.27 SOURCE3 5 0.1523 0.1908
|
|
|
3890 i -s4-i 54.4 97.29 SOURCE0 1
|
|
|
3891 i -s4-o 47.3 113.91 SOURCE3 1 0.0000 0.0000
|
|
|
3892 n -s4-n 68.0 91.30 SOURCE0 1
|
|
|
3893 n -s4-o 68.1 105.70 SOURCE3 4 1.5958 1.6857
|
|
|
3894 n2-s4-n2 75.8 90.17 SOURCE0 1
|
|
|
3895 n2-s4-o 72.1 107.57 SOURCE0 1
|
|
|
3896 n3-s4-n3 68.9 91.19 SOURCE3 1 0.0000 0.0000
|
|
|
3897 n3-s4-o 67.6 109.07 SOURCE3 6 1.7576 2.3605
|
|
|
3898 n4-s4-n4 60.4 94.61 SOURCE3 1 0.0000 0.0000
|
|
|
3899 n4-s4-o 63.2 104.91 SOURCE3 3 0.4120 0.4370
|
|
|
3900 na-s4-na 63.6 103.10 SOURCE0 1
|
|
|
3901 na-s4-o 66.5 109.75 SOURCE3 10 2.2612 2.6919
|
|
|
3902 nh-s4-nh 69.0 92.24 SOURCE3 1 0.0000 0.0000
|
|
|
3903 nh-s4-o 68.4 107.54 SOURCE3 3 0.0378 0.0401
|
|
|
3904 no-s4-no 63.6 83.40 SOURCE3 1 0.0000 0.0000
|
|
|
3905 no-s4-o 62.9 103.58 SOURCE3 3 1.4245 1.5109
|
|
|
3906 o -s4-o 74.4 110.61 SOURCE3 5 3.5677 3.6413
|
|
|
3907 o -s4-oh 71.3 106.38 SOURCE3 3 0.9318 0.9883
|
|
|
3908 o -s4-os 69.7 109.02 SOURCE3 8 1.3833 1.5005
|
|
|
3909 o -s4-p2 76.2 106.77 SOURCE0 1
|
|
|
3910 o -s4-p3 79.8 106.51 SOURCE3 8 2.6099 4.0943
|
|
|
3911 o -s4-p4 75.4 103.36 SOURCE0 1
|
|
|
3912 o -s4-p5 85.3 96.95 SOURCE0 1
|
|
|
3913 o -s4-s 61.7 112.22 SOURCE3 4 2.8682 2.8682
|
|
|
3914 o -s4-s4 63.8 104.55 SOURCE0 1
|
|
|
3915 o -s4-s6 64.3 102.84 SOURCE0 1
|
|
|
3916 o -s4-sh 60.6 107.51 SOURCE3 3 0.7081 0.7511
|
|
|
3917 o -s4-ss 60.1 109.49 SOURCE3 5 1.4035 1.8509
|
|
|
3918 oh-s4-oh 70.1 100.34 SOURCE0 1
|
|
|
3919 os-s4-os 71.3 93.68 SOURCE3 2 2.4166 2.4166
|
|
|
3920 p2-s4-p2 98.2 92.62 SOURCE0 1
|
|
|
3921 p3-s4-p3 101.4 95.71 SOURCE3 2 1.2239 1.2239
|
|
|
3922 p5-s4-p5 104.7 93.86 SOURCE0 1
|
|
|
3923 s -s4-s 59.9 108.08 SOURCE3 1 0.0000 0.0000
|
|
|
3924 s4-s4-s4 65.4 90.17 SOURCE0 1
|
|
|
3925 s4-s4-s6 65.4 90.17 SOURCE0 1
|
|
|
3926 s6-s4-s6 64.2 93.52 SOURCE0 1
|
|
|
3927 sh-s4-sh 58.8 102.76 SOURCE3 1 0.0000 0.0000
|
|
|
3928 sh-s4-ss 58.9 102.64 SOURCE0 1
|
|
|
3929 ss-s4-ss 61.1 95.47 SOURCE3 1 0.0000 0.0000
|
|
|
3930 br-s6-br 67.1 101.57 SOURCE3 1 0.0000 0.0000
|
|
|
3931 br-s6-c3 63.2 98.99 SOURCE3 1 0.0000 0.0000
|
|
|
3932 br-s6-f 63.1 100.60 SOURCE2 1 0.0000 0.0000
|
|
|
3933 br-s6-o 63.9 107.58 SOURCE3 6 0.2828 0.3000
|
|
|
3934 c -s6-c 59.1 99.82 SOURCE0 1
|
|
|
3935 c -s6-c3 60.1 101.24 SOURCE0 1
|
|
|
3936 c -s6-o 64.0 107.97 SOURCE0 1
|
|
|
3937 c -s6-os 64.4 102.12 SOURCE0 1
|
|
|
3938 c1-s6-c1 64.1 99.99 SOURCE3 1 0.0000 0.0000
|
|
|
3939 c1-s6-o 68.1 108.23 SOURCE3 4 0.0000 0.0000
|
|
|
3940 c2-s6-c2 61.9 102.75 SOURCE0 1
|
|
|
3941 c2-s6-c3 61.2 104.05 SOURCE0 1
|
|
|
3942 c2-s6-o 67.5 106.58 SOURCE0 1
|
|
|
3943 c3-s6-c3 61.4 102.83 SOURCE3 7 1.1315 1.2531
|
|
|
3944 c3-s6-ca 61.5 103.17 SOURCE0 1
|
|
|
3945 c3-s6-f 65.7 97.11 SOURCE3 1 0.0000 0.0000
|
|
|
3946 c3-s6-hs 44.9 100.62 SOURCE3 1 0.0000 0.0000
|
|
|
3947 c3-s6-i 50.8 97.74 SOURCE3 1 0.0000 0.0000
|
|
|
3948 c3-s6-n 63.5 102.97 SOURCE3 4 0.8504 0.8785
|
|
|
3949 c3-s6-n2 65.3 107.47 SOURCE3 3 0.1592 0.1689
|
|
|
3950 c3-s6-n3 65.2 102.92 SOURCE3 3 0.8719 0.9248
|
|
|
3951 c3-s6-n4 61.3 99.40 SOURCE3 3 0.4426 0.4695
|
|
|
3952 c3-s6-na 63.7 102.81 SOURCE3 10 2.6278 3.1256
|
|
|
3953 c3-s6-nh 64.8 101.13 SOURCE3 1 0.0000 0.0000
|
|
|
3954 c3-s6-no 60.1 99.57 SOURCE3 1 0.0000 0.0000
|
|
|
3955 c3-s6-o 66.6 108.32 SOURCE3 112 1.2779 1.8014
|
|
|
3956 c3-s6-oh 68.6 95.95 SOURCE3 1 0.0000 0.0000
|
|
|
3957 c3-s6-os 68.9 95.65 SOURCE3 4 1.0005 1.0632
|
|
|
3958 c3-s6-p2 72.5 106.47 SOURCE0 1
|
|
|
3959 c3-s6-p3 76.2 103.40 SOURCE3 3 0.8029 0.8516
|
|
|
3960 c3-s6-p4 71.1 104.12 SOURCE0 1
|
|
|
3961 c3-s6-p5 77.2 103.46 SOURCE0 1
|
|
|
3962 c3-s6-s 60.7 104.50 SOURCE3 1 0.0000 0.0000
|
|
|
3963 c3-s6-s4 61.8 98.10 SOURCE0 1
|
|
|
3964 c3-s6-s6 60.6 101.95 SOURCE0 1
|
|
|
3965 c3-s6-sh 60.1 101.84 SOURCE3 1 0.0000 0.0000
|
|
|
3966 c3-s6-ss 59.7 102.47 SOURCE3 3 1.6453 1.7451
|
|
|
3967 ca-s6-ca 61.8 103.08 SOURCE0 1
|
|
|
3968 ca-s6-o 67.3 107.49 SOURCE0 1
|
|
|
3969 cl-s6-cl 52.9 101.25 SOURCE3 1 0.0000 0.0000
|
|
|
3970 cl-s6-f 57.9 99.00 SOURCE2 1 0.0000 0.0000
|
|
|
3971 cl-s6-o 58.5 107.66 SOURCE3 4 0.0000 0.0000
|
|
|
3972 cx-s6-cx 86.2 54.70 SOURCE2 1 0.0000 0.0000
|
|
|
3973 f -s6-f 70.8 94.70 SOURCE2 3 0.9333 0.9899
|
|
|
3974 f -s6-o 72.4 106.48 SOURCE3 2 0.0000 0.0000
|
|
|
3975 hs-s6-hs 35.8 99.02 SOURCE3 2 0.0595 0.0595
|
|
|
3976 hs-s6-o 51.9 107.60 SOURCE3 10 0.0263 0.0343
|
|
|
3977 i -s6-i 53.9 99.25 SOURCE0 1
|
|
|
3978 i -s6-o 47.7 109.74 SOURCE3 2 0.0000 0.0000
|
|
|
3979 n -s6-n 65.5 104.16 SOURCE0 1
|
|
|
3980 n -s6-o 70.2 105.91 SOURCE3 8 0.2938 0.2953
|
|
|
3981 n2-s6-n2 76.1 98.61 SOURCE0 1
|
|
|
3982 n2-s6-o 72.6 116.41 SOURCE3 3 4.7923 5.0830
|
|
|
3983 n2-s6-oh 72.1 106.96 SOURCE3 2 0.0000 0.0000
|
|
|
3984 n2-s6-os 73.7 103.25 SOURCE0 1
|
|
|
3985 n3-s6-n3 69.5 104.28 SOURCE3 2 6.7537 6.7537
|
|
|
3986 n3-s6-o 72.9 106.80 SOURCE3 14 1.7070 1.7908
|
|
|
3987 n4-s6-n4 60.0 101.85 SOURCE3 1 0.0000 0.0000
|
|
|
3988 n4-s6-o 65.8 102.92 SOURCE3 10 1.5005 1.5434
|
|
|
3989 na-s6-na 67.7 98.04 SOURCE0 1
|
|
|
3990 na-s6-o 70.5 105.67 SOURCE3 20 0.6876 0.8019
|
|
|
3991 nh-s6-nh 70.4 94.56 SOURCE3 1 0.0000 0.0000
|
|
|
3992 nh-s6-o 70.3 109.12 SOURCE3 6 0.9009 0.9556
|
|
|
3993 no-s6-no 61.2 91.63 SOURCE3 1 0.0000 0.0000
|
|
|
3994 no-s6-o 62.7 107.43 SOURCE3 6 1.4608 1.5494
|
|
|
3995 o -s6-o 74.6 119.82 SOURCE3 84 4.1358 5.2345
|
|
|
3996 o -s6-oh 74.1 108.21 SOURCE3 18 0.5949 0.7437
|
|
|
3997 o -s6-os 74.6 107.84 SOURCE3 12 0.6328 0.7025
|
|
|
3998 o -s6-p2 76.6 106.61 SOURCE0 1
|
|
|
3999 o -s6-p3 80.2 107.07 SOURCE3 22 1.0007 1.0550
|
|
|
4000 o -s6-p4 73.9 105.67 SOURCE0 1
|
|
|
4001 o -s6-p5 81.7 106.64 SOURCE0 1
|
|
|
4002 o -s6-s 63.5 110.29 SOURCE3 6 2.1124 2.2405
|
|
|
4003 o -s6-s4 63.0 107.85 SOURCE0 1
|
|
|
4004 o -s6-s6 63.6 106.07 SOURCE0 1
|
|
|
4005 o -s6-sh 62.5 106.81 SOURCE3 6 0.5932 0.6292
|
|
|
4006 o -s6-ss 62.1 107.43 SOURCE3 10 1.0654 1.1423
|
|
|
4007 oh-s6-p2 75.1 109.67 SOURCE3 2 0.0000 0.0000
|
|
|
4008 oh-s6-oh 73.7 100.34 SOURCE3 6 0.0076 0.0076
|
|
|
4009 os-s6-os 74.8 98.70 SOURCE3 1 0.0000 0.0000
|
|
|
4010 p3-s6-p3 94.9 110.17 SOURCE3 4 5.3595 5.3678
|
|
|
4011 p5-s6-p5 99.2 104.49 SOURCE0 1
|
|
|
4012 s -s6-s 60.6 109.34 SOURCE3 1 0.0000 0.0000
|
|
|
4013 s4-s6-s4 61.5 101.99 SOURCE0 1
|
|
|
4014 s4-s6-s6 65.4 90.17 SOURCE0 1
|
|
|
4015 s6-s6-s6 61.1 103.29 SOURCE0 1
|
|
|
4016 sh-s6-sh 59.4 106.43 SOURCE3 1 0.0000 0.0000
|
|
|
4017 sh-s6-ss 60.4 102.64 SOURCE0 1
|
|
|
4018 ss-s6-ss 60.5 101.82 SOURCE3 1 0.0000 0.0000
|
|
|
4019 br-sh-hs 43.5 95.64 SOURCE3 1 0.0000 0.0000
|
|
|
4020 c -sh-hs 46.0 96.07 SOURCE3 6 0.9968 1.1164
|
|
|
4021 c2-sh-hs 46.2 95.94 SOURCE3 3 0.3373 0.3578
|
|
|
4022 c3-sh-hs 44.9 96.60 SOURCE3 12 0.6315 0.8009
|
|
|
4023 ca-sh-hs 45.7 96.61 SOURCE3 2 0.2867 0.2867
|
|
|
4024 f -sh-hs 48.1 96.50 SOURCE3 1 0.0000 0.0000
|
|
|
4025 hs-sh-hs 37.4 93.72 SOURCE3 3 0.4504 0.4777
|
|
|
4026 hs-sh-i 37.1 96.44 SOURCE3 1 0.0000 0.0000
|
|
|
4027 hs-sh-n 48.4 95.59 SOURCE3 4 3.3575 3.9065
|
|
|
4028 hs-sh-n2 48.1 95.82 SOURCE3 5 2.3697 3.1495
|
|
|
4029 hs-sh-n3 48.1 95.98 SOURCE3 3 1.1064 1.1735
|
|
|
4030 hs-sh-n4 47.1 93.13 SOURCE3 3 0.1579 0.1675
|
|
|
4031 hs-sh-na 48.1 97.38 SOURCE3 9 0.7962 1.0223
|
|
|
4032 hs-sh-nh 47.5 101.11 SOURCE3 1 0.0000 0.0000
|
|
|
4033 hs-sh-no 47.4 92.93 SOURCE3 1 0.0000 0.0000
|
|
|
4034 hs-sh-o 48.2 109.23 SOURCE3 2 0.0068 0.0068
|
|
|
4035 hs-sh-oh 48.7 98.64 SOURCE3 2 0.0605 0.0605
|
|
|
4036 hs-sh-os 49.3 98.15 SOURCE3 3 0.1566 0.1661
|
|
|
4037 hs-sh-p2 56.5 99.12 SOURCE3 10 4.3193 5.4110
|
|
|
4038 hs-sh-p3 53.1 95.81 SOURCE3 3 0.4144 0.4396
|
|
|
4039 hs-sh-p4 54.0 94.22 SOURCE3 4 0.7391 0.7605
|
|
|
4040 hs-sh-p5 54.8 94.52 SOURCE3 3 0.5269 0.5589
|
|
|
4041 hs-sh-s 40.9 102.87 SOURCE3 2 0.0000 0.0000
|
|
|
4042 hs-sh-s4 42.0 92.16 SOURCE3 3 1.5574 1.6519
|
|
|
4043 hs-sh-s6 42.9 93.83 SOURCE3 3 1.1843 1.2561
|
|
|
4044 hs-sh-sh 42.8 99.07 SOURCE3 2 0.0000 0.0000
|
|
|
4045 hs-sh-ss 42.6 99.17 SOURCE3 3 0.2316 0.2457
|
|
|
4046 br-ss-br 67.0 102.92 SOURCE3 1 0.0000 0.0000
|
|
|
4047 br-ss-c3 63.1 99.03 SOURCE3 1 0.0000 0.0000
|
|
|
4048 c -ss-c 62.2 101.40 SOURCE3 1 0.0000 0.0000
|
|
|
4049 c -ss-c2 65.6 92.43 SOURCE3 1 0.0000 0.0000
|
|
|
4050 c -ss-c3 61.5 100.29 SOURCE3 5 1.7050 2.2127
|
|
|
4051 c1-ss-c1 66.3 98.30 SOURCE2 1 0.0000 0.0000
|
|
|
4052 c1-ss-c3 62.9 99.90 SOURCE2 1 0.0000 0.0000
|
|
|
4053 c2-ss-c2 63.7 99.56 SOURCE3 1 0.0000 0.0000
|
|
|
4054 c2-ss-c3 63.4 95.73 SOURCE3 7 4.4315 4.6586
|
|
|
4055 c2-ss-n2 64.5 106.76 SOURCE3 1 0.0000 0.0000
|
|
|
4056 c2-ss-na 65.0 100.51 SOURCE3 6 6.4994 6.9702
|
|
|
4057 c2-ss-os 69.8 89.76 SOURCE3 1 0.0000 0.0000
|
|
|
4058 c2-ss-ss 64.8 92.26 SOURCE3 1 0.0000 0.0000
|
|
|
4059 c3-ss-c3 60.6 99.92 SOURCE3 14 1.4406 2.0723
|
|
|
4060 c3-ss-ca 61.3 100.62 SOURCE3 2 1.9639 1.9639
|
|
|
4061 c3-ss-cl 56.4 99.40 SOURCE2 1 0.0000 0.0000
|
|
|
4062 c3-ss-f 63.4 97.49 SOURCE3 1 0.0000 0.0000
|
|
|
4063 c3-ss-ha 11.1 96.50 SOURCE2 1 0.0000 0.0000
|
|
|
4064 c3-ss-i 56.0 100.00 SOURCE3 1 0.0000 0.0000
|
|
|
4065 c3-ss-n 63.7 100.30 SOURCE3 4 0.4972 0.6579
|
|
|
4066 c3-ss-n2 65.9 96.42 SOURCE3 5 1.1712 1.3604
|
|
|
4067 c3-ss-n3 64.1 98.83 SOURCE3 3 0.2742 0.2909
|
|
|
4068 c3-ss-n4 62.9 97.79 SOURCE3 3 0.1887 0.2002
|
|
|
4069 c3-ss-na 63.5 100.14 SOURCE3 12 1.3814 1.7415
|
|
|
4070 c3-ss-nh 63.7 100.63 SOURCE3 1 0.0000 0.0000
|
|
|
4071 c3-ss-no 62.4 98.62 SOURCE3 1 0.0000 0.0000
|
|
|
4072 c3-ss-o 64.7 106.60 SOURCE3 2 1.6714 1.6714
|
|
|
4073 c3-ss-oh 65.3 98.28 SOURCE3 2 1.4326 1.4326
|
|
|
4074 c3-ss-os 65.0 98.21 SOURCE3 4 1.4684 1.7097
|
|
|
4075 c3-ss-p2 80.2 98.41 SOURCE3 8 0.8438 0.9454
|
|
|
4076 c3-ss-p3 76.3 98.70 SOURCE3 3 0.0336 0.0356
|
|
|
4077 c3-ss-p4 76.9 98.16 SOURCE3 4 0.1322 0.1361
|
|
|
4078 c3-ss-p5 76.4 99.03 SOURCE3 3 0.5264 0.5584
|
|
|
4079 c3-ss-s 59.9 101.90 SOURCE3 1 0.0000 0.0000
|
|
|
4080 c3-ss-s4 60.1 96.37 SOURCE3 3 0.0190 0.0202
|
|
|
4081 c3-ss-s6 60.9 96.76 SOURCE3 3 1.4784 1.5680
|
|
|
4082 c3-ss-sh 60.4 101.93 SOURCE3 1 0.0000 0.0000
|
|
|
4083 c3-ss-ss 59.8 104.90 SOURCE3 25 3.6163 3.9326
|
|
|
4084 ca-ss-ca 62.4 99.92 SOURCE3 1 0.0000 0.0000
|
|
|
4085 ca-ss-cc 63.9 96.98 SOURCE3 2 0.0000 0.0000
|
|
|
4086 ca-ss-cd 63.9 96.98 SOURCE3 2 0.0000 0.0000
|
|
|
4087 ca-ss-cl 56.5 101.05 SOURCE3 1 0.0000 0.0000
|
|
|
4088 ca-ss-n 65.8 97.16 SOURCE0 1
|
|
|
4089 ca-ss-na 64.8 99.32 SOURCE0 1
|
|
|
4090 ca-ss-nc 69.2 94.76 SOURCE3 1 0.0000 0.0000
|
|
|
4091 ca-ss-nd 69.2 94.76 SOURCE3 1 same as ca-ss-nc
|
|
|
4092 cc-ss-cc 67.0 89.91 SOURCE3 11 2.0978 2.2164
|
|
|
4093 cd-ss-cd 67.0 89.91 SOURCE3 11 2.0978 2.2164
|
|
|
4094 cc-ss-cd 61.2 107.91 SOURCE3 1 0.0000 0.0000
|
|
|
4095 cc-ss-nc 69.7 95.66 SOURCE3 3 0.0000 0.0000
|
|
|
4096 cd-ss-nd 69.7 95.66 SOURCE3 3 0.0000 0.0000
|
|
|
4097 cc-ss-os 66.5 98.81 SOURCE3 2 2.1583 2.1583
|
|
|
4098 cd-ss-os 66.5 98.81 SOURCE3 2 same as cc-ss-os
|
|
|
4099 cc-ss-ss 61.5 102.46 SOURCE3 2 0.0000 0.0000
|
|
|
4100 cd-ss-ss 61.5 102.46 SOURCE3 2 same as cc-ss-ss
|
|
|
4101 cd-ss-n 66.4 97.16 SOURCE3 1 0.0000 0.0000
|
|
|
4102 cc-ss-n 66.4 97.16 SOURCE3 1 same as cd-ss-n
|
|
|
4103 cd-ss-na 65.4 99.33 SOURCE3 18 1.9415 2.5847
|
|
|
4104 cc-ss-na 65.4 99.33 SOURCE3 18 same as cd-ss-na
|
|
|
4105 cl-ss-cl 52.4 103.37 SOURCE3 1 0.0000 0.0000
|
|
|
4106 cx-ss-cx 87.5 48.30 SOURCE2 1 0.0000 0.0000
|
|
|
4107 f -ss-f 66.2 98.30 SOURCE2 1 0.0000 0.0000
|
|
|
4108 f -ss-ss 59.9 108.30 SOURCE2 1 0.0000 0.0000
|
|
|
4109 i -ss-i 58.1 106.29 SOURCE3 1 0.0000 0.0000
|
|
|
4110 n -ss-n 66.4 103.10 SOURCE3 1 0.0000 0.0000
|
|
|
4111 n2-ss-n2 71.1 96.75 SOURCE3 1 0.0000 0.0000
|
|
|
4112 n3-ss-n3 66.5 102.34 SOURCE3 1 0.0000 0.0000
|
|
|
4113 n4-ss-n4 63.6 101.19 SOURCE3 1 0.0000 0.0000
|
|
|
4114 na-ss-na 65.9 102.81 SOURCE3 1 0.0000 0.0000
|
|
|
4115 nc-ss-nc 74.4 99.50 SOURCE2 1 0.0000 0.0000
|
|
|
4116 nd-ss-nd 74.4 99.50 SOURCE2 1 same as nc-ss-nc
|
|
|
4117 nh-ss-nh 65.3 107.89 SOURCE3 1 0.0000 0.0000
|
|
|
4118 no-ss-no 61.4 106.43 SOURCE3 1 0.0000 0.0000
|
|
|
4119 o -ss-o 69.8 119.30 SOURCE2 1 0.0000 0.0000
|
|
|
4120 o -ss-p5 78.8 106.41 SOURCE3 1 0.0000 0.0000
|
|
|
4121 o -ss-s6 62.4 105.39 SOURCE0 1
|
|
|
4122 o -ss-ss 62.0 112.70 SOURCE2 1 0.0000 0.0000
|
|
|
4123 oh-ss-oh 68.2 104.25 SOURCE3 1 0.0000 0.0000
|
|
|
4124 os-ss-os 67.8 102.99 SOURCE3 1 0.0000 0.0000
|
|
|
4125 p2-ss-p2 105.5 99.52 SOURCE3 1 0.0000 0.0000
|
|
|
4126 p3-ss-p3 96.8 101.67 SOURCE0 1
|
|
|
4127 p5-ss-p5 103.5 89.83 SOURCE3 1 0.0000 0.0000
|
|
|
4128 s -ss-s 57.7 115.04 SOURCE0 1
|
|
|
4129 s4-ss-s4 60.9 96.08 SOURCE3 1 0.0000 0.0000
|
|
|
4130 s4-ss-s6 59.9 101.26 SOURCE0 1
|
|
|
4131 s6-ss-s6 60.5 101.81 SOURCE3 1 0.0000 0.0000
|
|
|
4132 sh-ss-sh 60.3 107.54 SOURCE3 1 0.0000 0.0000
|
|
|
4133 sh-ss-ss 60.8 106.53 SOURCE0 1
|
|
|
4134 ss-ss-ss 60.4 108.71 SOURCE3 1 0.0000 0.0000
|
|
|
4135 c -sx-c 62.8 86.85 SOURCE3 1 0.0000 0.0000
|
|
|
4136 c -sx-c3 62.0 92.71 SOURCE3 3 0.2918 0.3095
|
|
|
4137 c -sx-o 63.5 106.17 SOURCE3 5 0.8807 0.9477
|
|
|
4138 c3-sx-ca 62.6 95.00 SOURCE3 1 0.0000 0.0000
|
|
|
4139 c3-sx-ce 62.8 94.95 SOURCE3 3 0.0006 0.0007
|
|
|
4140 c3-sx-cf 62.8 94.95 SOURCE3 3 same as c3-sx-ce
|
|
|
4141 c3-sx-ne 65.3 90.06 SOURCE3 5 1.4630 1.9627
|
|
|
4142 c3-sx-nf 65.3 90.06 SOURCE3 5 same as c3-sx-ne
|
|
|
4143 c3-sx-o 64.9 107.88 SOURCE3 30 0.7662 0.8721
|
|
|
4144 c3-sx-pe 77.0 94.32 SOURCE3 7 0.5270 0.5547
|
|
|
4145 c3-sx-pf 77.0 94.32 SOURCE3 7 same as c3-sx-pe
|
|
|
4146 c3-sx-px 74.3 96.46 SOURCE3 3 1.2587 1.3351
|
|
|
4147 c3-sx-py 74.1 95.67 SOURCE3 1 0.0000 0.0000
|
|
|
4148 c3-sx-sx 57.2 91.47 SOURCE3 4 1.9919 1.9919
|
|
|
4149 c3-sx-sy 58.7 95.47 SOURCE3 3 2.6797 2.8422
|
|
|
4150 ca-sx-ca 62.6 95.21 SOURCE3 1 0.0000 0.0000
|
|
|
4151 ca-sx-o 65.3 106.92 SOURCE3 3 0.3800 0.4031
|
|
|
4152 ce-sx-ce 63.0 94.96 SOURCE3 1 0.0000 0.0000
|
|
|
4153 cf-sx-cf 63.0 94.96 SOURCE3 1 same as ce-sx-ce
|
|
|
4154 ce-sx-o 65.4 107.47 SOURCE3 5 0.3064 0.3128
|
|
|
4155 cf-sx-o 65.4 107.47 SOURCE3 5 same as ce-sx-o
|
|
|
4156 ne-sx-ne 66.4 90.17 SOURCE3 1 0.0000 0.0000
|
|
|
4157 nf-sx-nf 66.4 90.17 SOURCE3 1 same as ne-sx-ne
|
|
|
4158 ne-sx-o 65.4 109.20 SOURCE3 7 1.3979 1.4542
|
|
|
4159 nf-sx-o 65.4 109.20 SOURCE3 7 same as ne-sx-o
|
|
|
4160 o -sx-pe 77.0 106.43 SOURCE3 9 2.1093 2.8345
|
|
|
4161 o -sx-pf 77.0 106.43 SOURCE3 9 same as o -sx-pe
|
|
|
4162 o -sx-px 75.2 104.77 SOURCE3 3 1.8677 1.9810
|
|
|
4163 o -sx-py 73.1 109.13 SOURCE3 7 5.2928 5.6840
|
|
|
4164 o -sx-sx 55.7 104.65 SOURCE3 6 2.8778 3.0524
|
|
|
4165 o -sx-sy 59.4 103.41 SOURCE3 5 0.7671 0.9618
|
|
|
4166 pe-sx-pe 99.2 92.62 SOURCE3 1 0.0000 0.0000
|
|
|
4167 pf-sx-pf 99.2 92.62 SOURCE3 1 same as pe-sx-pe
|
|
|
4168 py-sx-py 110.1 69.23 SOURCE3 3 16.4184 17.4143
|
|
|
4169 sx-sx-sx 58.6 84.90 SOURCE3 1 0.0000 0.0000
|
|
|
4170 sy-sx-sy 59.2 93.52 SOURCE3 1 0.0000 0.0000
|
|
|
4171 c -sy-c 59.2 99.81 SOURCE3 1 0.0000 0.0000
|
|
|
4172 c -sy-c3 60.1 101.25 SOURCE3 3 1.1172 1.1850
|
|
|
4173 c -sy-o 64.1 107.23 SOURCE3 10 0.8191 0.8425
|
|
|
4174 c3-sy-ca 60.9 103.17 SOURCE3 1 0.0000 0.0000
|
|
|
4175 c3-sy-ce 60.8 103.81 SOURCE3 3 0.3175 0.3368
|
|
|
4176 c3-sy-cf 60.8 103.81 SOURCE3 3 same as c3-sy-ce
|
|
|
4177 c3-sy-ne 63.0 103.12 SOURCE3 5 3.6732 4.1882
|
|
|
4178 c3-sy-nf 63.0 103.12 SOURCE3 5 same as c3-sy-ne
|
|
|
4179 c3-sy-o 66.0 108.48 SOURCE3 62 0.7297 0.8576
|
|
|
4180 c3-sy-pe 71.8 106.03 SOURCE3 6 2.3845 2.6117
|
|
|
4181 c3-sy-pf 71.8 106.03 SOURCE3 6 same as c3-sy-pe
|
|
|
4182 c3-sy-px 71.7 103.62 SOURCE3 3 0.6673 0.7078
|
|
|
4183 c3-sy-py 73.5 103.39 SOURCE3 3 0.4302 0.4563
|
|
|
4184 c3-sy-sx 56.3 104.64 SOURCE3 3 4.3630 4.6276
|
|
|
4185 c3-sy-sy 57.4 100.78 SOURCE3 4 1.1633 1.1633
|
|
|
4186 ca-sy-ca 62.1 99.34 SOURCE3 3 4.9868 5.2893
|
|
|
4187 ca-sy-nh 65.2 100.83 SOURCE3 1 0.0000 0.0000
|
|
|
4188 ca-sy-o 65.8 108.73 SOURCE3 26 1.1018 1.2638
|
|
|
4189 ca-sy-oh 65.7 101.84 SOURCE3 4 0.9524 1.1069
|
|
|
4190 ca-sy-os 67.6 92.98 SOURCE3 1 0.0000 0.0000
|
|
|
4191 ce-sy-ce 61.1 102.78 SOURCE3 1 0.0000 0.0000
|
|
|
4192 cf-sy-cf 61.1 102.78 SOURCE3 1 same as ce-sy-ce
|
|
|
4193 ce-sy-o 66.4 107.25 SOURCE3 10 0.5364 0.5477
|
|
|
4194 cf-sy-o 66.4 107.25 SOURCE3 10 same as ce-sy-o
|
|
|
4195 na-sy-na 67.7 98.04 SOURCE0 1
|
|
|
4196 nc-sy-nc 75.2 98.04 SOURCE0 2
|
|
|
4197 nd-sy-nd 75.2 98.04 SOURCE0 2
|
|
|
4198 ne-sy-ne 66.6 98.62 SOURCE3 1 0.0000 0.0000
|
|
|
4199 nf-sy-nf 66.6 98.62 SOURCE3 1 same as ne-sy-ne
|
|
|
4200 ne-sy-o 68.9 107.06 SOURCE3 14 2.1834 2.2705
|
|
|
4201 nf-sy-o 68.9 107.06 SOURCE3 14 same as ne-sy-o
|
|
|
4202 nh-sy-o 70.9 108.46 SOURCE3 2 0.0000 0.0000
|
|
|
4203 o -sy-o 72.4 121.88 SOURCE3 46 0.7319 0.9495
|
|
|
4204 o -sy-oh 72.7 106.93 SOURCE3 8 0.6101 0.7424
|
|
|
4205 o -sy-os 70.6 107.62 SOURCE3 2 0.0000 0.0000
|
|
|
4206 o -sy-pe 75.4 106.90 SOURCE3 12 1.4233 1.4524
|
|
|
4207 o -sy-pf 75.4 106.90 SOURCE3 12 same as o -sy-pe
|
|
|
4208 o -sy-px 74.4 106.17 SOURCE3 6 0.6656 0.7059
|
|
|
4209 o -sy-py 76.5 106.67 SOURCE3 10 0.6188 0.6478
|
|
|
4210 o -sy-sx 58.6 106.33 SOURCE3 10 1.9984 2.0456
|
|
|
4211 o -sy-sy 58.8 106.19 SOURCE3 12 0.1653 0.1754
|
|
|
4212 py-sy-py 92.8 104.49 SOURCE3 1 0.0000 0.0000
|
|
|
4213 sx-sy-sx 56.7 101.99 SOURCE3 1 0.0000 0.0000
|
|
|
4214 sy-sy-sy 56.5 103.29 SOURCE3 1 0.0000 0.0000
|
|
|
4215 br-n1-c1 51.1 180.00 HF/6-31G*
|
|
|
4216 c1-n1-c1 64.9 179.92 HF/6-31G*
|
|
|
4217 c1-n1-c2 60.2 177.73 HF/6-31G*
|
|
|
4218 c1-n1-c3 59.9 180.00 HF/6-31G*
|
|
|
4219 c1-n1-ca 59.9 179.99 HF/6-31G*
|
|
|
4220 c1-n1-cl 50.1 179.95 HF/6-31G*
|
|
|
4221 c1-n1-f 55.9 179.96 HF/6-31G*
|
|
|
4222 c1-n1-hn 45.6 179.98 HF/6-31G*
|
|
|
4223 c1-n1-i 46.2 179.95 HF/6-31G*
|
|
|
4224 c1-n1-n1 66.9 180.00 HF/6-31G*
|
|
|
4225 c1-n1-n2 65.7 171.56 HF/6-31G*
|
|
|
4226 c1-n1-n3 60.7 175.59 HF/6-31G*
|
|
|
4227 c1-n1-n4 59.7 179.69 HF/6-31G*
|
|
|
4228 c1-n1-na 59.9 180.00 HF/6-31G*
|
|
|
4229 c1-n1-nh 60.9 176.35 HF/6-31G*
|
|
|
4230 c1-n1-o 62.6 179.95 HF/6-31G*
|
|
|
4231 c1-n1-oh 62.9 174.31 HF/6-31G*
|
|
|
4232 c1-n1-os 62.2 176.61 HF/6-31G*
|
|
|
4233 c1-n1-p2 83.5 172.83 HF/6-31G*
|
|
|
4234 c1-n1-p3 68.7 173.51 HF/6-31G*
|
|
|
4235 c1-n1-p4 68.7 173.64 HF/6-31G*
|
|
|
4236 c1-n1-p5 71.5 177.28 HF/6-31G*
|
|
|
4237 c1-n1-s 53.3 179.99 HF/6-31G*
|
|
|
4238 c1-n1-s2 60.3 178.11 HF/6-31G*
|
|
|
4239 c1-n1-s4 55.2 169.60 HF/6-31G*
|
|
|
4240 c1-n1-s6 61.8 175.92 HF/6-31G*
|
|
|
4241 c1-n1-sh 55.7 174.25 HF/6-31G*
|
|
|
4242 c1-n1-ss 55.4 176.06 HF/6-31G*
|
|
|
4243 c1-ng-ng 51.9 179.97 HF/6-31G*
|
|
|
4244 c2-c1-n1 63.1 180.00 HF/6-31G*
|
|
|
4245 c2-c2-n1 71.7 122.98 HF/6-31G*
|
|
|
4246 c2-n1-n1 61.6 180.00 HF/6-31G*
|
|
|
4247 c2-n2-n1 75.5 115.09 HF/6-31G*
|
|
|
4248 c2-na-n1 66.3 124.81 HF/6-31G*
|
|
|
4249 c3-n1-n1 58.8 180.00 HF/6-31G*
|
|
|
4250 c3-os-n1 66.3 113.50 HF/6-31G*
|
|
|
4251 c3-ss-n1 65.9 98.44 HF/6-31G*
|
|
|
4252 ca-ca-n1 63.4 118.50 HF/6-31G*
|
|
|
4253 ca-n1-n1 59.0 180.00 HF/6-31G*
|
|
|
4254 ca-nh-n1 69.4 117.13 HF/6-31G*
|
|
|
4255 cl-n1-n1 51.4 179.94 HF/6-31G*
|
|
|
4256 f -n1-n1 57.4 179.93 HF/6-31G*
|
|
|
4257 h1-c3-n1 60.3 107.31 HF/6-31G*
|
|
|
4258 hn-n1-n1 47.1 179.91 HF/6-31G*
|
|
|
4259 hn-n3-n1 52.0 110.17 HF/6-31G*
|
|
|
4260 hn-n4-n1 51.8 109.39 HF/6-31G*
|
|
|
4261 hn-nh-n1 52.3 110.57 HF/6-31G*
|
|
|
4262 ho-oh-n1 52.5 107.81 HF/6-31G*
|
|
|
4263 hp-p3-n1 31.3 92.98 HF/6-31G*
|
|
|
4264 hp-p4-n1 30.5 99.91 HF/6-31G*
|
|
|
4265 hp-p5-n1 31.1 101.32 HF/6-31G*
|
|
|
4266 hs-s4-n1 51.2 90.51 HF/6-31G*
|
|
|
4267 hs-s6-n1 54.7 97.27 HF/6-31G*
|
|
|
4268 hs-sh-n1 51.7 93.51 HF/6-31G*
|
|
|
4269 i -n1-n1 47.3 179.94 HF/6-31G*
|
|
|
4270 n1-n1-n1 69.0 179.97 HF/6-31G*
|
|
|
4271 n1-n1-n2 67.7 171.57 HF/6-31G*
|
|
|
4272 n1-n1-n3 62.5 175.09 HF/6-31G*
|
|
|
4273 n1-n1-n4 61.3 179.91 HF/6-31G*
|
|
|
4274 n1-n1-na 61.6 179.97 HF/6-31G*
|
|
|
4275 n1-n1-nh 62.7 176.00 HF/6-31G*
|
|
|
4276 n1-n1-o 64.4 179.94 HF/6-31G*
|
|
|
4277 n1-n1-oh 64.8 173.77 HF/6-31G*
|
|
|
4278 n1-n1-os 64.0 176.12 HF/6-31G*
|
|
|
4279 n1-n1-p2 69.4 174.71 HF/6-31G*
|
|
|
4280 n1-n1-p3 70.2 174.27 HF/6-31G*
|
|
|
4281 n1-n1-s 54.6 179.96 HF/6-31G*
|
|
|
4282 n1-n1-sh 57.0 175.07 HF/6-31G*
|
|
|
4283 n1-n1-ss 56.9 175.61 HF/6-31G*
|
|
|
4284 n1-p4-o 49.7 114.59 HF/6-31G*
|
|
|
4285 n1-p5-o 44.7 113.78 HF/6-31G*
|
|
|
4286 n1-s2-o 73.1 108.46 HF/6-31G*
|
|
|
4287 n1-s4-o 70.2 110.09 HF/6-31G*
|
|
|
4288 n1-s6-o 78.8 107.52 HF/6-31G*
|
|
|
4289 n1-c1-n1 70.2 180.00 HF/6-31G*
|
|
|
4290 n1-c2-n1 73.6 124.15 HF/6-31G*
|
|
|
4291 n1-c3-n1 80.0 105.07 HF/6-31G*
|
|
|
4292 n1-ca-n1 75.8 117.03 HF/6-31G*
|
|
|
4293 n1-n2-n1 80.8 112.00 HF/6-31G*
|
|
|
4294 n1-n3-n1 72.4 113.21 HF/6-31G*
|
|
|
4295 n1-n4-n1 72.7 110.67 HF/6-31G*
|
|
|
4296 n1-no-o 73.8 115.00 HF/6-31G*
|
|
|
4297 n1-nh-n1 75.1 106.71 HF/6-31G*
|
|
|
4298 n1-os-n1 70.3 117.79 HF/6-31G*
|
|
|
4299 n1-ss-n1 73.1 96.96 HF/6-31G*
|
|
|
4300 n1-s4-n1 72.4 94.02 HF/6-31G*
|
|
|
4301 n1-s6-n1 83.7 95.52 HF/6-31G*
|
|
|
4302 n1-p2-n1 46.5 86.22 HF/6-31G*
|
|
|
4303 n1-p3-n1 45.9 90.44 HF/6-31G*
|
|
|
4304 n1-p4-n1 43.5 100.61 HF/6-31G*
|
|
|
4305 n1-p5-n1 45.8 101.55 HF/6-31G*
|
|
|
4306 o -c1-o 69.3 180.00 Guess
|
|
|
4307 c3-c1-c3 51.7 180.00 Guess
|
|
|
4308 ca-c1-ca 52.8 180.00 Guess
|
|
|
4309 f -c1-f 58.2 180.00 Guess
|
|
|
4310 cl-c1-cl 46.6 180.00 Guess
|
|
|
4311 br-c1-br 57.8 180.00 Guess
|
|
|
4312 i -c1-i 53.4 180.00 Guess
|
|
|
4313 s -c1-s 54.6 180.00 Guess
|
|
|
4314 s2-c1-s2 55.8 180.00 Guess
|
|
|
4315 s4-c1-s4 51.0 180.00 Guess
|
|
|
4316 s6-c1-s6 51.7 180.00 Guess
|
|
|
4317 sh-c1-sh 53.0 180.00 Guess
|
|
|
4318 ss-c1-ss 53.0 180.00 Guess
|
|
|
4319 oh-c1-oh 60.9 180.00 Guess
|
|
|
4320 os-c1-os 61.0 180.00 Guess
|
|
|
4321 p2-c1-p2 80.6 180.00 Guess
|
|
|
4322 p3-c1-p3 79.7 180.00 Guess
|
|
|
4323 p4-c1-p4 79.7 180.00 Guess
|
|
|
4324 p5-c1-p5 81.4 180.00 Guess
|
|
|
4325 n -c1-n 60.0 180.00 Guess
|
|
|
4326 n2-c1-n2 66.0 180.00 Guess
|
|
|
4327 n3-c1-n3 57.4 180.00 Guess
|
|
|
4328 n4-c1-n4 56.3 180.00 Guess
|
|
|
4329 nh-c1-nh 59.0 180.00 Guess
|
|
|
4330 no-c1-no 56.8 180.00 Guess
|
|
|
4331 na-c1-na 58.6 180.00 Guess
|
|
|
4332 na-c1-na 58.6 180.00 Guess
|
|
|
4333 na-c1-na 58.6 180.00 Guess
|
|
|
4334
|
|
|
4335 X -c -c -X 4 1.200 180.000 2.000
|
|
|
4336 X -c -c1-X 2 0.000 180.000 2.000
|
|
|
4337 X -c -cg-X 2 0.000 180.000 2.000 same as X-c-c1-X
|
|
|
4338 X -c -ch-X 2 0.000 180.000 2.000
|
|
|
4339 X -c -c2-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4340 X -c -cu-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4341 X -c -cv-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4342 X -c -ce-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4343 X -c -cf-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4344 X -c -c3-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
|
|
|
4345 X -c -cx-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
|
|
|
4346 X -c -cy-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
|
|
|
4347 X -c -ca-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4348 X -c -cc-X 4 11.500 180.000 2.000 statistic value
|
|
|
4349 X -c -cd-X 4 11.500 180.000 2.000 statistic value
|
|
|
4350 X -c -n -X 4 10.000 180.000 2.000 AA,NMA (no c-n3, c-n4, c-nh)
|
|
|
4351 X -c -n2-X 2 8.300 180.000 2.000 double bond, same as X-c2-n2-X
|
|
|
4352 X -c -nc-X 2 8.00 180.000 2.000 same as X-C-NC-X
|
|
|
4353 X -c -nd-X 2 8.00 180.000 2.000 same as X-C-NC-X
|
|
|
4354 X -c -ne-X 2 0.400 180.000 2.000 single bond
|
|
|
4355 X -c -nf-X 2 0.400 180.000 2.000 single bond
|
|
|
4356 X -c -na-X 4 5.800 180.000 -2.000
|
|
|
4357 X -c -na-X 4 1.400 180.000 4.000
|
|
|
4358 X -c -no-X 4 1.800 180.000 2.000
|
|
|
4359 X -c -oh-X 2 4.600 180.000 2.000 Junmei et al, 1999
|
|
|
4360 X -c -os-X 2 5.400 180.000 2.000 Junmei et al, 1999
|
|
|
4361 X -c -pc-X 2 4.000 180.000 2.000 estimated
|
|
|
4362 X -c -p2-X 2 13.300 180.000 2.000 double bond, same as X-c2-p2-X
|
|
|
4363 X -c -pc-X 2 4.000 180.000 2.000 estimated
|
|
|
4364 X -c -pd-X 2 4.000 180.000 2.000 estimated
|
|
|
4365 X -c -pe-X 2 0.000 180.000 2.000 single bond
|
|
|
4366 X -c -pf-X 2 0.000 180.000 2.000 single bond
|
|
|
4367 X -c -p3-X 4 6.200 180.000 2.000
|
|
|
4368 X -c -p4-X 4 5.400 180.000 2.000
|
|
|
4369 X -c -px-X 4 5.400 180.000 2.000
|
|
|
4370 X -c -p5-X 4 4.000 0.000 2.000
|
|
|
4371 X -c -py-X 4 4.000 0.000 2.000
|
|
|
4372 X -c -sh-X 2 4.500 180.000 2.000
|
|
|
4373 X -c -ss-X 2 6.200 180.000 2.000
|
|
|
4374 X -c -s4-X 4 0.800 180.000 2.000
|
|
|
4375 X -c -sx-X 4 0.800 180.000 2.000
|
|
|
4376 X -c -s6-X 6 3.000 0.000 2.000
|
|
|
4377 X -c -sy-X 6 3.000 0.000 2.000
|
|
|
4378 X -c1-c1-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4379 X -c1-cg-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4380 X -c1-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4381 X -cg-cg-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4382 X -ch-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4383 X -cg-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
|
|
|
4384 X -c1-c2-X 2 0.000 180.000 2.000
|
|
|
4385 X -c1-c3-X 3 0.000 180.000 2.000
|
|
|
4386 X -c1-ca-X 2 0.000 180.000 2.000
|
|
|
4387 X -c1-cb-X 2 0.000 180.000 2.000
|
|
|
4388 X -c1-cc-X 2 0.000 180.000 2.000
|
|
|
4389 X -c1-cd-X 2 0.000 180.000 2.000
|
|
|
4390 X -c1-ce-X 2 0.000 180.000 2.000
|
|
|
4391 X -c1-cf-X 2 0.000 180.000 2.000
|
|
|
4392 X -c1-cu-X 2 0.000 180.000 2.000
|
|
|
4393 X -c1-cv-X 2 0.000 180.000 2.000
|
|
|
4394 X -c1-cx-X 3 0.000 180.000 2.000
|
|
|
4395 X -c1-cy-X 3 0.000 180.000 2.000
|
|
|
4396 X -c1-n -X 2 0.000 180.000 2.000
|
|
|
4397 X -c1-n2-X 1 0.000 180.000 2.000
|
|
|
4398 X -c1-n3-X 2 0.000 180.000 2.000
|
|
|
4399 X -c1-n4-X 3 0.000 180.000 2.000
|
|
|
4400 X -c1-na-X 2 0.000 180.000 2.000
|
|
|
4401 X -c1-nb-X 2 0.000 180.000 2.000
|
|
|
4402 X -c1-nc-X 2 0.000 180.000 2.000
|
|
|
4403 X -c1-nd-X 2 0.000 180.000 2.000
|
|
|
4404 X -c1-ne-X 2 0.000 180.000 2.000
|
|
|
4405 X -c1-nf-X 2 0.000 180.000 2.000
|
|
|
4406 X -c1-nh-X 2 0.000 180.000 2.000
|
|
|
4407 X -c1-no-X 2 0.000 180.000 2.000
|
|
|
4408 X -c1-oh-X 1 0.000 180.000 2.000
|
|
|
4409 X -c1-os-X 1 0.000 180.000 2.000
|
|
|
4410 X -c1-p2-X 1 0.000 180.000 2.000
|
|
|
4411 X -c1-pb-X 1 0.000 180.000 2.000
|
|
|
4412 X -c1-pc-X 1 0.000 180.000 2.000
|
|
|
4413 X -c1-pd-X 1 0.000 180.000 2.000
|
|
|
4414 X -c1-pe-X 1 0.000 180.000 2.000
|
|
|
4415 X -c1-pf-X 1 0.000 180.000 2.000
|
|
|
4416 X -c1-p3-X 2 0.000 180.000 2.000
|
|
|
4417 X -c1-p4-X 2 0.000 180.000 2.000
|
|
|
4418 X -c1-px-X 2 0.000 180.000 2.000
|
|
|
4419 X -c1-p5-X 3 0.000 180.000 2.000
|
|
|
4420 X -c1-py-X 3 0.000 180.000 2.000
|
|
|
4421 X -c1-s2-X 1 0.000 180.000 2.000
|
|
|
4422 X -c1-sh-X 1 0.000 180.000 2.000
|
|
|
4423 X -c1-ss-X 1 0.000 180.000 2.000
|
|
|
4424 X -c1-s4-X 2 0.000 180.000 2.000
|
|
|
4425 X -c1-sx-X 2 0.000 180.000 2.000
|
|
|
4426 X -c1-s6-X 3 0.000 180.000 2.000
|
|
|
4427 X -c1-sy-X 3 0.000 180.000 2.000
|
|
|
4428 X -c2-c2-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
|
|
|
4429 X -c2-ce-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
|
|
|
4430 X -c2-cf-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
|
|
|
4431 X -ce-cf-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
|
|
|
4432 X -ce-ce-X 4 4.000 180.000 2.000 c2-c2 single bond, parm99
|
|
|
4433 X -cf-cf-X 4 4.000 180.000 2.000 c2-c2 single bond, parm99
|
|
|
4434 X -cc-cd-X 4 16.000 180.000 2.000 statistic value of parm94
|
|
|
4435 X -cc-cc-X 4 16.000 180.000 2.000 statistic value of parm94
|
|
|
4436 X -cd-cd-X 4 16.000 180.000 2.000 statistic value of parm94
|
|
|
4437 X -c2-c3-X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4438 X -c2-ca-X 4 10.200 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4439 X -c2-n -X 4 2.600 180.000 2.000
|
|
|
4440 X -c2-n2-X 2 8.300 180.000 2.000 double bond, parm99
|
|
|
4441 X -c2-ne-X 2 8.300 180.000 2.000 double bond, parm99
|
|
|
4442 X -c2-nf-X 2 8.300 180.000 2.000 double bond, parm99
|
|
|
4443 X -ce-ne-X 2 1.600 180.000 2.000 single bond
|
|
|
4444 X -cf-nf-X 2 1.600 180.000 2.000 single bond
|
|
|
4445 X -c2-nc-X 2 9.500 180.000 2.000 statistic value from parm94
|
|
|
4446 X -c2-nd-X 2 9.500 180.000 2.000 statistic value from parm94
|
|
|
4447 X -cc-nd-X 2 9.500 180.000 2.000 statistic value from parm94
|
|
|
4448 X -cd-nc-X 2 9.500 180.000 2.000 statistiv value from parm94
|
|
|
4449 X -cc-nc-X 2 9.500 180.000 2.000 statistic value from parm94
|
|
|
4450 X -cd-nd-X 2 9.500 180.000 2.000 statistiv value from parm94
|
|
|
4451 X -c2-n3-X 4 1.200 180.000 2.000 intrpol.
|
|
|
4452 X -c2-n4-X 6 0.000 180.000 3.000 intrpol.
|
|
|
4453 X -c2-na-X 4 2.500 180.000 2.000
|
|
|
4454 X -cc-na-X 4 6.800 180.000 2.000 statistic value from parm94
|
|
|
4455 X -cd-na-X 4 6.800 180.000 2.000 statistic value from parm94
|
|
|
4456 X -c2-nh-X 4 2.700 180.000 2.000
|
|
|
4457 X -c2-no-X 4 3.000 180.000 2.000
|
|
|
4458 X -c2-oh-X 2 2.100 180.000 2.000 parm99
|
|
|
4459 X -c2-os-X 2 2.100 180.000 2.000 parm99
|
|
|
4460 X -c2-p2-X 2 13.300 180.000 2.000 double bond
|
|
|
4461 X -c2-pe-X 2 13.300 180.000 2.000 double bond
|
|
|
4462 X -c2-pf-X 2 13.300 180.000 2.000 double bond
|
|
|
4463 X -ce-pf-X 2 13.300 180.000 2.000 double bond
|
|
|
4464 X -ce-pe-X 2 1.900 180.000 2.000 single bond
|
|
|
4465 X -cf-pf-X 2 1.900 180.000 2.000 single bond
|
|
|
4466 X -c2-pc-X 2 9.500 180.000 2.000 estimated
|
|
|
4467 X -c2-pd-X 2 9.500 180.000 2.000 estimated
|
|
|
4468 X -cc-pc-X 2 9.500 180.000 2.000 estimated
|
|
|
4469 X -cc-pd-X 2 9.500 180.000 2.000 estimated
|
|
|
4470 X -cd-pc-X 2 9.500 180.000 2.000 estimated
|
|
|
4471 X -cd-pd-X 2 9.500 180.000 2.000 estimated
|
|
|
4472 X -c2-p3-X 4 1.800 180.000 2.000
|
|
|
4473 X -c2-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
|
|
|
4474 X -ce-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
|
|
|
4475 X -cf-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
|
|
|
4476 X -c2-px-X 4 1.300 0.000 2.000
|
|
|
4477 X -ce-px-X 4 1.300 0.000 2.000
|
|
|
4478 X -cf-px-X 4 1.300 0.000 2.000
|
|
|
4479 X -c2-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
|
|
|
4480 X -ce-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
|
|
|
4481 X -cf-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
|
|
|
4482 X -c2-py-X 6 8.600 180.000 2.000
|
|
|
4483 X -ce-py-X 6 8.600 180.000 2.000
|
|
|
4484 X -cf-py-X 6 8.600 180.000 2.000
|
|
|
4485 X -c2-sh-X 2 1.000 180.000 2.000
|
|
|
4486 X -c2-ss-X 2 2.200 180.000 2.000
|
|
|
4487 X -c2-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
|
|
|
4488 X -ce-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
|
|
|
4489 X -cf-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
|
|
|
4490 X -c2-sx-X 4 2.400 0.000 2.000
|
|
|
4491 X -ce-sx-X 4 2.400 0.000 2.000
|
|
|
4492 X -cf-sx-X 4 2.400 0.000 2.000
|
|
|
4493 X -c2-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
|
|
|
4494 X -ce-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
|
|
|
4495 X -cf-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
|
|
|
4496 X -c2-sy-X 6 7.600 180.000 2.000
|
|
|
4497 X -ce-sy-X 6 7.600 180.000 2.000
|
|
|
4498 X -cf-sy-X 6 7.600 180.000 2.000
|
|
|
4499 X -c3-c3-X 9 1.400 0.000 3.000 JCC,7,(1986),230
|
|
|
4500 X -cx-cx-X 9 1.400 0.000 3.000 same as X-c3-c3-X
|
|
|
4501 X -cy-cy-X 9 1.400 0.000 3.000 same as X-c3-c3-X
|
|
|
4502 X -c3-ca-X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4503 X -c3-n -X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4504 X -cx-n -X 6 0.000 0.000 2.000 same as X-c3-n-X
|
|
|
4505 X -cy-n -X 6 0.000 0.000 2.000 same as X-c3-n-X
|
|
|
4506 X -c3-n2-X 6 0.000 0.000 3.000 JCC,7,(1986),230
|
|
|
4507 X -c3-ne-X 6 0.000 0.000 3.000 JCC,7,(1986),230
|
|
|
4508 X -c3-nf-X 6 0.000 0.000 3.000 JCC,7,(1986),230
|
|
|
4509 X -c3-n3-X 6 1.800 0.000 3.000 Junmei et al, 1999
|
|
|
4510 X -c3-n4-X 9 1.400 0.000 3.000 JCC,7,(1986),230
|
|
|
4511 X -c3-na-X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4512 X -c3-nh-X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4513 X -c3-no-X 6 0.000 0.000 2.000 JCC,7,(1986),230
|
|
|
4514 X -c3-oh-X 3 0.500 0.000 3.000 JCC,7,(1986),230
|
|
|
4515 X -c3-os-X 3 1.150 0.000 3.000 JCC,7,(1986),230
|
|
|
4516 X -c3-p2-X 3 0.800 180.000 2.000
|
|
|
4517 X -c3-pe-X 3 0.800 180.000 2.000
|
|
|
4518 X -c3-pf-X 3 0.800 180.000 2.000
|
|
|
4519 X -c3-p3-X 6 0.800 0.000 3.000
|
|
|
4520 X -c3-p4-X 6 0.800 0.000 3.000
|
|
|
4521 X -c3-px-X 6 0.800 0.000 3.000
|
|
|
4522 X -c3-p5-X 9 0.200 0.000 3.000
|
|
|
4523 X -c3-py-X 9 0.200 0.000 3.000
|
|
|
4524 X -c3-sh-X 3 0.750 0.000 3.000 JCC,7,(1986),230
|
|
|
4525 X -c3-ss-X 3 1.000 0.000 3.000 JCC,7,(1986),230
|
|
|
4526 X -c3-s4-X 6 1.200 0.000 3.000
|
|
|
4527 X -c3-sx-X 6 1.200 0.000 3.000
|
|
|
4528 X -c3-s6-X 9 1.300 0.000 3.000
|
|
|
4529 X -c3-sy-X 9 1.300 0.000 3.000
|
|
|
4530 X -c3-cc-X 6 0.000 0.000 3.000 same as X-c3-ca-X
|
|
|
4531 X -c3-cd-X 6 0.000 0.000 3.000 same as X-c3-ca-X
|
|
|
4532 X -ca-ca-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4533 X -ca-cc-X 4 14.500 180.000 2.000 added by EAJF Peters
|
|
|
4534 X -ca-cp-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4535 X -ca-cq-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
|
|
|
4536 X -cp-cp-X 4 4.000 180.000 2.000 estimated, intrpol.
|
|
|
4537 X -cq-cq-X 4 4.000 180.000 2.000 estimated, intrpol.
|
|
|
4538 X -ca-n -X 4 1.800 180.000 2.000
|
|
|
4539 X -ca-n2-X 2 0.000 180.000 3.000
|
|
|
4540 X -ca-ne-X 2 0.000 180.000 3.000
|
|
|
4541 X -ca-nf-X 2 0.000 180.000 3.000
|
|
|
4542 X -ca-n4-X 4 7.000 0.000 2.000
|
|
|
4543 X -ca-na-X 4 1.200 180.000 2.000
|
|
|
4544 X -ca-nb-X 2 9.60 180.0 2.000 same as X-CA-NC-X
|
|
|
4545 X -ca-nc-X 2 9.60 180.0 2.000 same as X-CA-NC-X
|
|
|
4546 X -ca-nd-X 2 9.60 180.0 2.000 same as X-CA-NC-X
|
|
|
4547 X -ca-nh-X 4 4.200 180.000 2.000
|
|
|
4548 X -cc-nh-X 4 4.200 180.000 2.000 same as X-ca-nh-X
|
|
|
4549 X -cd-nh-X 4 4.200 180.000 2.000 same as X-ca-nh-X
|
|
|
4550 X -ca-no-X 4 2.400 180.000 2.000
|
|
|
4551 X -ca-oh-X 2 1.800 180.000 2.000 Junmei et al, 99
|
|
|
4552 X -ca-os-X 2 1.800 180.000 2.000 same as X-ca-oh-X
|
|
|
4553 X -ca-p2-X 2 1.200 180.000 2.000
|
|
|
4554 X -ca-pe-X 2 1.200 180.000 2.000 same as X-ca-p2-X
|
|
|
4555 X -ca-pf-X 2 1.200 180.000 2.000 same as X-ca-p2-X
|
|
|
4556 X -ca-pc-X 2 9.600 180.000 2.000 estimated, intrpol
|
|
|
4557 X -ca-pd-X 2 9.600 180.000 2.000 estimated, intrpol
|
|
|
4558 X -ca-p3-X 4 0.000 180.000 2.000
|
|
|
4559 X -ca-p4-X 4 2.100 180.000 2.000
|
|
|
4560 X -ca-px-X 4 2.100 180.000 2.000 estimated, same as X-ca-p4-X
|
|
|
4561 X -ca-p5-X 6 8.800 180.000 2.000
|
|
|
4562 X -ca-py-X 6 8.800 180.000 2.000 estimated, same as X-ca-p5-X
|
|
|
4563 X -ca-sh-X 2 0.000 180.000 2.000
|
|
|
4564 X -ca-ss-X 2 0.800 180.000 2.000
|
|
|
4565 X -ca-s4-X 4 1.200 0.000 2.000
|
|
|
4566 X -ca-sx-X 4 1.200 0.000 2.000 estimated, same as X-ca-s4-X
|
|
|
4567 X -ca-s6-X 6 7.800 180.000 2.000
|
|
|
4568 X -ca-sy-X 6 7.800 180.000 2.000 estimated, same as X-ca-s6-X
|
|
|
4569 X -n -cc-X 4 6.600 180.000 2.000 statistic value from parm94
|
|
|
4570 X -n -cd-X 4 6.600 180.000 2.000 statistic value from parm94
|
|
|
4571 X -n -n -X 4 4.600 0.000 2.000
|
|
|
4572 X -n -n2-X 2 0.800 0.000 2.000
|
|
|
4573 X -n -ne-X 2 0.800 0.000 2.000
|
|
|
4574 X -n -nf-X 2 0.800 0.000 2.000
|
|
|
4575 X -n -n3-X 4 4.300 0.000 2.000
|
|
|
4576 X -n -n4-X 4 3.800 0.000 2.000
|
|
|
4577 X -n -na-X 4 2.800 0.000 2.000
|
|
|
4578 X -n -nc-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4579 X -n -nd-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4580 X -n -nh-X 4 4.400 0.000 2.000
|
|
|
4581 X -n -no-X 4 5.500 180.000 2.000
|
|
|
4582 X -n -oh-X 2 3.000 0.000 2.000
|
|
|
4583 X -n -os-X 2 2.200 0.000 2.000
|
|
|
4584 X -n -p2-X 2 2.000 180.000 2.000
|
|
|
4585 X -n -pe-X 2 2.000 180.000 2.000
|
|
|
4586 X -n -pf-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4587 X -n -pc-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4588 X -n -pd-X 2 2.000 180.000 2.000
|
|
|
4589 X -n -p3-X 4 9.000 0.000 2.000
|
|
|
4590 X -n -p4-X 4 1.300 0.000 2.000
|
|
|
4591 X -n -px-X 4 1.300 0.000 2.000
|
|
|
4592 X -n -p5-X 6 13.200 180.000 2.000
|
|
|
4593 X -n -py-X 6 13.200 180.000 2.000
|
|
|
4594 X -n -sh-X 2 2.200 0.000 2.000
|
|
|
4595 X -n -ss-X 2 3.000 0.000 2.000
|
|
|
4596 X -n -s4-X 4 6.000 0.000 3.000
|
|
|
4597 X -n -sx-X 4 6.000 0.000 3.000
|
|
|
4598 X -n -s6-X 6 6.600 180.000 2.000
|
|
|
4599 X -n -sy-X 6 6.600 180.000 2.000
|
|
|
4600 X -n1-c2-X 2 0.000 180.000 2.000
|
|
|
4601 X -n1-c3-X 3 0.000 180.000 2.000
|
|
|
4602 X -n1-ca-X 2 0.000 180.000 2.000
|
|
|
4603 X -n1-cb-X 2 0.000 180.000 2.000
|
|
|
4604 X -n1-cc-X 2 0.000 180.000 2.000
|
|
|
4605 X -n1-cd-X 2 0.000 180.000 2.000
|
|
|
4606 X -n1-ce-X 2 0.000 180.000 2.000
|
|
|
4607 X -n1-cf-X 2 0.000 180.000 2.000
|
|
|
4608 X -n1-cu-X 2 0.000 180.000 2.000
|
|
|
4609 X -n1-cv-X 2 0.000 180.000 2.000
|
|
|
4610 X -n1-cx-X 3 0.000 180.000 2.000
|
|
|
4611 X -n1-cy-X 3 0.000 180.000 2.000
|
|
|
4612 X -n1-n -X 2 0.000 180.000 2.000
|
|
|
4613 X -n1-n1-X 1 0.000 180.000 2.000
|
|
|
4614 X -n1-n2-X 1 0.000 180.000 2.000
|
|
|
4615 X -n1-n3-X 2 0.000 180.000 2.000
|
|
|
4616 X -n1-n4-X 3 0.000 180.000 2.000
|
|
|
4617 X -n1-na-X 2 0.000 180.000 2.000
|
|
|
4618 X -n1-nb-X 2 0.000 180.000 2.000
|
|
|
4619 X -n1-nc-X 2 0.000 180.000 2.000
|
|
|
4620 X -n1-nd-X 2 0.000 180.000 2.000
|
|
|
4621 X -n1-ne-X 2 0.000 180.000 2.000
|
|
|
4622 X -n1-nf-X 2 0.000 180.000 2.000
|
|
|
4623 X -n1-nh-X 2 0.000 180.000 2.000
|
|
|
4624 X -n1-no-X 2 0.000 180.000 2.000
|
|
|
4625 X -n1-oh-X 1 0.000 180.000 2.000
|
|
|
4626 X -n1-os-X 1 0.000 180.000 2.000
|
|
|
4627 X -n1-p2-X 1 0.000 180.000 2.000
|
|
|
4628 X -n1-pb-X 1 0.000 180.000 2.000
|
|
|
4629 X -n1-pc-X 1 0.000 180.000 2.000
|
|
|
4630 X -n1-pd-X 1 0.000 180.000 2.000
|
|
|
4631 X -n1-pe-X 1 0.000 180.000 2.000
|
|
|
4632 X -n1-pf-X 1 0.000 180.000 2.000
|
|
|
4633 X -n1-p3-X 2 0.000 180.000 2.000
|
|
|
4634 X -n1-p4-X 2 0.000 180.000 2.000
|
|
|
4635 X -n1-px-X 2 0.000 180.000 2.000
|
|
|
4636 X -n1-p5-X 3 0.000 180.000 2.000
|
|
|
4637 X -n1-py-X 3 0.000 180.000 2.000
|
|
|
4638 X -n1-s2-X 1 0.000 180.000 2.000
|
|
|
4639 X -n1-sh-X 1 0.000 180.000 2.000
|
|
|
4640 X -n1-ss-X 1 0.000 180.000 2.000
|
|
|
4641 X -n1-s4-X 2 0.000 180.000 2.000
|
|
|
4642 X -n1-sx-X 2 0.000 180.000 2.000
|
|
|
4643 X -n1-s6-X 3 0.000 180.000 2.000
|
|
|
4644 X -n1-sy-X 3 0.000 180.000 2.000
|
|
|
4645 X -n2-n2-X 1 3.000 180.000 -2.000 double bond
|
|
|
4646 X -n2-n2-X 1 2.800 0.000 1.000 double bond
|
|
|
4647 X -n2-ne-X 1 3.000 180.000 -2.000 double bond
|
|
|
4648 X -n2-ne-X 1 2.800 0.000 1.000 double bond
|
|
|
4649 X -n2-nf-X 1 3.000 180.000 -2.000 double bond
|
|
|
4650 X -n2-nf-X 1 2.800 0.000 1.000 double bond
|
|
|
4651 X -ne-nf-X 1 3.000 180.000 -2.000 double bond
|
|
|
4652 X -ne-nf-X 1 2.800 0.000 1.000 double bond
|
|
|
4653 X -ne-ne-X 1 1.200 180.000 2.000 single bond, intrpol
|
|
|
4654 X -nf-nf-X 1 1.200 180.000 2.000 single bond, intrpol
|
|
|
4655 X -nc-nc-X 1 4.000 180.000 2.000 estimated, intrpol
|
|
|
4656 X -nd-nd-X 1 4.000 180.000 2.000 estimated, intrpol
|
|
|
4657 X -nc-nd-X 1 4.000 180.000 2.000 estimated, intrpol
|
|
|
4658 X -n2-nc-X 1 3.000 180.000 -2.000 same as X-n2-n2-X
|
|
|
4659 X -n2-nc-X 1 2.800 0.000 1.000
|
|
|
4660 X -n2-nd-X 1 3.000 180.000 -2.000 same as X-n2-n2-X
|
|
|
4661 X -n2-nd-X 1 2.800 0.000 1.000
|
|
|
4662 X -n2-n3-X 2 12.200 180.000 2.000
|
|
|
4663 X -ne-n3-X 2 12.200 180.000 2.000
|
|
|
4664 X -nf-n3-X 2 12.200 180.000 2.000
|
|
|
4665 X -n2-n4-X 3 24.000 180.000 2.000
|
|
|
4666 X -ne-n4-X 3 24.000 180.000 2.000
|
|
|
4667 X -nf-n4-X 3 24.000 180.000 2.000
|
|
|
4668 X -n2-na-X 2 3.400 180.000 2.000
|
|
|
4669 X -ne-na-X 2 3.400 180.000 2.000
|
|
|
4670 X -nf-na-X 2 3.400 180.000 2.000
|
|
|
4671 X -na-nc-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4672 X -na-nd-X 2 9.600 180.000 2.000 estimated, intrpol.
|
|
|
4673 X -n2-nh-X 2 5.600 180.000 2.000
|
|
|
4674 X -ne-nh-X 2 5.600 180.000 2.000
|
|
|
4675 X -nf-nh-X 2 5.600 180.000 2.000
|
|
|
4676 X -n2-no-X 2 1.500 180.000 2.000
|
|
|
4677 X -ne-no-X 2 1.500 180.000 2.000
|
|
|
4678 X -nf-no-X 2 1.500 180.000 2.000
|
|
|
4679 X -n2-oh-X 1 3.200 180.000 2.000
|
|
|
4680 X -ne-oh-X 1 3.200 180.000 2.000
|
|
|
4681 X -nf-oh-X 1 3.200 180.000 2.000
|
|
|
4682 X -n2-os-X 1 3.000 180.000 2.000
|
|
|
4683 X -ne-os-X 1 3.000 180.000 2.000
|
|
|
4684 X -nf-os-X 1 3.000 180.000 2.000
|
|
|
4685 X -nc-os-X 1 4.800 180.000 2.000 estimated, intrpol.
|
|
|
4686 X -nc-ss-X 1 4.800 180.000 2.000 estimated, intrpol.
|
|
|
4687 X -n2-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4688 X -n2-pe-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4689 X -n2-pf-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4690 X -ne-pf-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4691 X -n2-pc-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4692 X -n2-pd-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4693 X -nc-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4694 X -nd-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
|
|
|
4695 X -nc-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4696 X -nd-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4697 X -nd-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4698 X -nc-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4699 X -ne-pe-X 1 0.600 0.000 1.000 single bond
|
|
|
4700 X -nf-pf-X 1 0.600 0.000 1.000 single bond
|
|
|
4701 X -n2-p3-X 2 4.200 180.000 2.000
|
|
|
4702 X -n2-p4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4703 X -ne-p4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4704 X -nf-p4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4705 X -n2-p5-X 3 20.000 180.000 2.000 estimated !!!
|
|
|
4706 X -ne-p5-X 3 3.000 180.000 3.000
|
|
|
4707 X -nf-p5-X 3 3.000 180.000 3.000
|
|
|
4708 X -ne-px-X 3 3.000 180.000 3.000
|
|
|
4709 X -nf-px-X 3 3.000 180.000 3.000
|
|
|
4710 X -n2-sh-X 1 2.100 180.000 2.000
|
|
|
4711 X -ne-sh-X 1 2.100 180.000 2.000
|
|
|
4712 X -nf-sh-X 1 2.100 180.000 2.000
|
|
|
4713 X -n2-ss-X 1 2.800 180.000 -2.000
|
|
|
4714 X -n2-ss-X 1 1.300 180.000 1.000
|
|
|
4715 X -ne-ss-X 1 2.800 180.000 -2.000
|
|
|
4716 X -ne-ss-X 1 1.300 180.000 1.000
|
|
|
4717 X -nf-ss-X 1 2.800 180.000 -2.000
|
|
|
4718 X -nf-ss-X 1 1.300 180.000 1.000
|
|
|
4719 X -n2-s4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4720 X -ne-sx-X 2 3.000 180.000 3.000
|
|
|
4721 X -nf-sx-X 2 3.000 180.000 3.000
|
|
|
4722 X -n2-s6-X 3 20.000 180.000 2.000 estimated !!!
|
|
|
4723 X -ne-sy-X 3 1.500 180.000 -3.000
|
|
|
4724 X -ne-sy-X 3 20.400 180.000 1.000
|
|
|
4725 X -nf-sy-X 3 1.500 180.000 -3.000
|
|
|
4726 X -nf-sy-X 3 20.400 180.000 1.000
|
|
|
4727 X -n3-n3-X 4 9.000 0.000 2.000
|
|
|
4728 X -n3-n4-X 6 1.500 0.000 3.000
|
|
|
4729 X -n3-na-X 4 6.400 0.000 2.000
|
|
|
4730 X -n3-nh-X 4 7.600 0.000 2.000
|
|
|
4731 X -n3-no-X 4 16.000 180.000 2.000
|
|
|
4732 X -n3-oh-X 1 2.200 0.000 2.000
|
|
|
4733 X -n3-os-X 1 1.800 0.000 2.000
|
|
|
4734 X -n3-p2-X 2 6.400 180.000 2.000
|
|
|
4735 X -n3-pe-X 2 6.400 180.000 2.000
|
|
|
4736 X -n3-pf-X 2 6.400 180.000 2.000
|
|
|
4737 X -n3-p3-X 4 9.400 0.000 2.000
|
|
|
4738 X -n3-p4-X 4 8.400 180.000 2.000
|
|
|
4739 X -n3-px-X 4 8.400 180.000 2.000
|
|
|
4740 X -n3-p5-X 6 18.000 180.000 2.000
|
|
|
4741 X -n3-py-X 6 18.000 180.000 2.000
|
|
|
4742 X -n3-sh-X 1 3.100 0.000 2.000
|
|
|
4743 X -n3-ss-X 1 2.600 0.000 2.000
|
|
|
4744 X -n3-s4-X 4 15.000 0.000 2.000
|
|
|
4745 X -n3-sx-X 4 15.000 0.000 2.000
|
|
|
4746 X -n3-s6-X 6 18.800 0.000 2.000
|
|
|
4747 X -n3-sy-X 6 18.800 0.000 2.000
|
|
|
4748 X -n4-n4-X 9 1.700 0.000 3.000
|
|
|
4749 X -n4-na-X 6 1.400 0.000 3.000
|
|
|
4750 X -n4-nh-X 6 1.100 0.000 3.000
|
|
|
4751 X -n4-no-X 6 0.500 180.000 3.000
|
|
|
4752 X -n4-oh-X 3 1.000 0.000 3.000
|
|
|
4753 X -n4-os-X 3 1.700 0.000 3.000
|
|
|
4754 X -n4-p2-X 3 0.500 180.000 3.000
|
|
|
4755 X -n4-pe-X 3 0.500 180.000 3.000
|
|
|
4756 X -n4-pf-X 3 0.500 180.000 3.000
|
|
|
4757 X -n4-p3-X 6 0.900 0.000 3.000
|
|
|
4758 X -n4-p4-X 4 0.200 0.000 3.000
|
|
|
4759 X -n4-px-X 4 0.200 0.000 3.000
|
|
|
4760 X -n4-p5-X 9 0.800 0.000 3.000
|
|
|
4761 X -n4-py-X 9 0.800 0.000 3.000
|
|
|
4762 X -n4-sh-X 3 2.000 0.000 3.000
|
|
|
4763 X -n4-ss-X 3 1.000 0.000 3.000
|
|
|
4764 X -n4-s4-X 6 1.700 0.000 3.000
|
|
|
4765 X -n4-sx-X 6 1.700 0.000 3.000
|
|
|
4766 X -n4-s6-X 9 1.200 0.000 3.000
|
|
|
4767 X -n4-sy-X 9 1.200 0.000 3.000
|
|
|
4768 X -na-na-X 4 3.600 0.000 2.000
|
|
|
4769 X -na-nh-X 4 4.800 0.000 2.000
|
|
|
4770 X -na-no-X 4 24.000 180.000 2.000
|
|
|
4771 X -na-oh-X 2 2.000 0.000 2.000
|
|
|
4772 X -na-os-X 2 1.300 0.000 2.000
|
|
|
4773 X -na-p2-X 1 1.000 180.000 2.000
|
|
|
4774 X -na-pe-X 1 1.000 180.000 2.000
|
|
|
4775 X -na-pf-X 1 1.000 180.000 2.000
|
|
|
4776 X -na-p3-X 4 5.800 0.000 2.000
|
|
|
4777 X -na-p4-X 4 4.400 0.000 3.000
|
|
|
4778 X -na-px-X 4 4.400 0.000 3.000
|
|
|
4779 X -na-p5-X 6 5.000 180.000 2.000
|
|
|
4780 X -na-py-X 6 5.000 180.000 2.000
|
|
|
4781 X -na-sh-X 2 3.600 0.000 2.000
|
|
|
4782 X -na-ss-X 2 15.600 0.000 2.000
|
|
|
4783 X -na-s4-X 4 4.200 0.000 2.000
|
|
|
4784 X -na-sx-X 4 4.200 0.000 2.000
|
|
|
4785 X -na-s6-X 6 22.000 180.000 2.000
|
|
|
4786 X -na-sy-X 6 22.000 180.000 2.000
|
|
|
4787 X -nh-nh-X 4 7.200 180.000 3.000
|
|
|
4788 X -nh-no-X 4 10.200 180.000 2.000
|
|
|
4789 X -nh-oh-X 2 3.000 0.000 2.000
|
|
|
4790 X -nh-os-X 2 3.000 0.000 1.000
|
|
|
4791 X -nh-p2-X 2 2.800 180.000 2.000
|
|
|
4792 X -nh-pe-X 2 2.800 180.000 2.000
|
|
|
4793 X -nh-pf-X 2 2.800 180.000 2.000
|
|
|
4794 X -nh-p3-X 4 9.400 0.000 2.000
|
|
|
4795 X -nh-p4-X 4 4.700 0.000 3.000
|
|
|
4796 X -nh-px-X 4 4.700 0.000 3.000
|
|
|
4797 X -nh-p5-X 6 4.800 0.000 2.000
|
|
|
4798 X -nh-py-X 6 4.800 0.000 2.000
|
|
|
4799 X -nh-sh-X 2 3.200 0.000 2.000
|
|
|
4800 X -nh-ss-X 2 4.200 0.000 2.000
|
|
|
4801 X -nh-s4-X 4 3.000 0.000 -2.000
|
|
|
4802 X -nh-s4-X 4 0.400 180.000 3.000
|
|
|
4803 X -nh-sx-X 4 3.000 0.000 -2.000
|
|
|
4804 X -nh-sx-X 4 0.400 180.000 3.000
|
|
|
4805 X -nh-s6-X 6 0.600 180.000 2.000
|
|
|
4806 X -nh-sy-X 6 0.600 180.000 2.000
|
|
|
4807 X -no-no-X 4 1.600 180.000 -4.000
|
|
|
4808 X -no-no-X 4 7.200 180.000 2.000
|
|
|
4809 X -no-oh-X 2 7.800 180.000 2.000
|
|
|
4810 X -no-os-X 2 6.000 180.000 2.000
|
|
|
4811 X -no-p2-X 1 0.300 180.000 2.000
|
|
|
4812 X -no-pe-X 1 0.300 180.000 2.000
|
|
|
4813 X -no-pf-X 1 0.300 180.000 2.000
|
|
|
4814 X -no-p3-X 4 7.600 180.000 2.000
|
|
|
4815 X -no-p4-X 4 2.300 180.000 2.000
|
|
|
4816 X -no-px-X 4 2.300 180.000 2.000
|
|
|
4817 X -no-p5-X 6 14.400 0.000 -2.000
|
|
|
4818 X -no-p5-X 6 2.400 0.000 3.000
|
|
|
4819 X -no-py-X 6 14.400 0.000 -2.000
|
|
|
4820 X -no-py-X 6 2.400 0.000 3.000
|
|
|
4821 X -no-sh-X 2 4.600 180.000 2.000
|
|
|
4822 X -no-ss-X 2 5.400 180.000 2.000
|
|
|
4823 X -no-s4-X 4 10.400 180.000 2.000
|
|
|
4824 X -no-sx-X 4 10.400 180.000 2.000
|
|
|
4825 X -no-s6-X 6 2.000 0.000 2.000
|
|
|
4826 X -no-sy-X 6 2.000 0.000 2.000
|
|
|
4827 X -oh-oh-X 1 1.600 0.000 2.000
|
|
|
4828 X -oh-os-X 1 1.600 0.000 2.000
|
|
|
4829 X -oh-p2-X 1 1.500 180.000 2.000
|
|
|
4830 X -oh-pe-X 1 1.500 180.000 2.000
|
|
|
4831 X -oh-pf-X 1 1.500 180.000 2.000
|
|
|
4832 X -oh-p3-X 2 0.800 180.000 3.000
|
|
|
4833 X -oh-p4-X 2 1.400 0.000 1.000
|
|
|
4834 X -oh-px-X 2 1.400 0.000 1.000
|
|
|
4835 X -oh-p5-X 3 1.600 0.000 3.000
|
|
|
4836 X -oh-py-X 3 1.600 0.000 3.000
|
|
|
4837 X -oh-sh-X 1 2.400 0.000 2.000
|
|
|
4838 X -oh-ss-X 1 2.400 0.000 2.000
|
|
|
4839 X -oh-s4-X 2 10.000 0.000 1.000
|
|
|
4840 X -oh-sx-X 2 10.000 0.000 1.000
|
|
|
4841 X -oh-s6-X 3 28.500 180.000 1.000
|
|
|
4842 X -oh-sy-X 3 28.500 180.000 1.000
|
|
|
4843 X -os-os-X 1 1.000 0.000 1.000
|
|
|
4844 X -os-ss-X 1 2.200 0.000 2.000
|
|
|
4845 X -os-sh-X 1 1.800 0.000 2.000
|
|
|
4846 X -os-s4-X 2 3.300 0.000 3.000
|
|
|
4847 X -os-sx-X 2 3.300 0.000 3.000
|
|
|
4848 X -os-s6-X 3 3.600 180.000 2.000
|
|
|
4849 X -os-sy-X 3 3.600 180.000 2.000
|
|
|
4850 X -os-p2-X 1 3.000 180.000 -2.000
|
|
|
4851 X -os-p2-X 1 2.000 180.000 1.000
|
|
|
4852 X -os-pe-X 1 3.000 180.000 -2.000
|
|
|
4853 X -os-pe-X 1 2.000 180.000 1.000
|
|
|
4854 X -os-pf-X 1 3.000 180.000 -2.000
|
|
|
4855 X -os-pf-X 1 2.000 180.000 1.000
|
|
|
4856 X -os-p3-X 2 4.400 0.000 2.000
|
|
|
4857 X -os-p4-X 2 2.100 180.000 2.000
|
|
|
4858 X -os-px-X 2 2.100 180.000 2.000
|
|
|
4859 X -os-p5-X 3 2.400 0.000 2.000
|
|
|
4860 X -os-py-X 3 2.400 0.000 2.000
|
|
|
4861 X -p2-p2-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4862 X -p2-pe-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4863 X -p2-pf-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4864 X -p2-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4865 X -p2-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
|
|
|
4866 X -pe-pe-X 1 1.200 180.000 2.000 single bond
|
|
|
4867 X -pf-pf-X 1 1.200 180.000 2.000 single bond
|
|
|
4868 X -pc-pc-X 1 7.200 180.000 2.000 estimated, intrpol.
|
|
|
4869 X -pd-pd-X 1 7.200 180.000 2.000 estimated, intrpol.
|
|
|
4870 X -pc-pd-X 1 7.200 180.000 2.000 estimated, intrpol.
|
|
|
4871 X -p2-p3-X 2 2.400 0.000 1.000
|
|
|
4872 X -pe-p3-X 2 2.400 0.000 1.000
|
|
|
4873 X -pf-p3-X 2 2.400 0.000 1.000
|
|
|
4874 X -p2-p4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4875 X -pe-px-X 2 4.900 0.000 2.000
|
|
|
4876 X -pf-px-X 2 4.900 0.000 2.000
|
|
|
4877 X -p2-p5-X 3 20.000 180.000 2.000 estimated !!!
|
|
|
4878 X -pe-py-X 3 5.700 0.000 1.000
|
|
|
4879 X -pf-py-X 3 5.700 0.000 1.000
|
|
|
4880 X -p2-sh-X 1 1.400 180.000 2.000
|
|
|
4881 X -pe-sh-X 1 1.400 180.000 2.000
|
|
|
4882 X -pf-sh-X 1 1.400 180.000 2.000
|
|
|
4883 X -p2-ss-X 1 1.400 180.000 2.000
|
|
|
4884 X -pe-ss-X 1 1.400 180.000 2.000
|
|
|
4885 X -pf-ss-X 1 1.400 180.000 2.000
|
|
|
4886 X -p2-s4-X 2 13.300 180.000 2.000 estimated !!!
|
|
|
4887 X -pe-sx-X 2 3.000 0.000 2.000
|
|
|
4888 X -pf-sx-X 2 3.000 0.000 2.000
|
|
|
4889 X -p2-s6-X 3 20.000 180.000 2.000 estimated !!!
|
|
|
4890 X -pe-sy-X 3 1.200 180.000 3.000
|
|
|
4891 X -pf-sy-X 3 1.200 180.000 3.000
|
|
|
4892 X -p3-p3-X 4 2.000 0.000 3.000
|
|
|
4893 X -p3-p4-X 4 3.600 0.000 1.000
|
|
|
4894 X -p3-px-X 4 3.600 0.000 1.000
|
|
|
4895 X -p3-p5-X 6 11.000 180.000 2.000
|
|
|
4896 X -p3-py-X 6 11.000 180.000 2.000
|
|
|
4897 X -p3-sh-X 2 9.200 0.000 2.000
|
|
|
4898 X -p3-ss-X 2 2.300 0.000 3.000
|
|
|
4899 X -p3-ss-X 2 2.300 0.000 3.000
|
|
|
4900 X -p3-s4-X 4 15.400 0.000 2.000
|
|
|
4901 X -p3-sx-X 4 15.400 0.000 2.000
|
|
|
4902 X -p3-s6-X 6 1.600 0.000 3.000
|
|
|
4903 X -p3-sy-X 6 1.600 0.000 3.000
|
|
|
4904 X -p4-p4-X 4 26.600 180.000 2.000 estimated !!!
|
|
|
4905 X -px-px-X 4 5.800 180.000 2.000
|
|
|
4906 X -p4-p5-X 6 39.900 180.000 2.000 estimated !!!
|
|
|
4907 X -px-py-X 6 1.900 180.000 2.000
|
|
|
4908 X -p4-s4-X 4 26.600 180.000 2.000 estimated !!!
|
|
|
4909 X -px-sx-X 4 3.400 0.000 1.000
|
|
|
4910 X -p4-s6-X 6 39.900 180.000 2.000 estimated !!!
|
|
|
4911 X -px-sy-X 6 0.700 0.000 3.000
|
|
|
4912 X -p4-sh-X 2 0.500 180.000 1.000
|
|
|
4913 X -px-sh-X 2 0.500 180.000 1.000
|
|
|
4914 X -p4-ss-X 2 1.200 180.000 2.000
|
|
|
4915 X -px-ss-X 2 1.200 180.000 2.000
|
|
|
4916 X -p5-p5-X 9 60.000 180.000 2.000 estimated !!!
|
|
|
4917 X -py-py-X 9 5.400 0.000 2.000
|
|
|
4918 X -p5-sh-X 3 0.900 0.000 3.000
|
|
|
4919 X -py-sh-X 3 0.900 0.000 3.000
|
|
|
4920 X -p5-ss-X 3 11.400 180.000 2.000
|
|
|
4921 X -py-ss-X 3 11.400 180.000 2.000
|
|
|
4922 X -p5-s4-X 6 40.000 180.000 2.000 estimated !!!
|
|
|
4923 X -py-sx-X 6 1.600 0.000 3.000
|
|
|
4924 X -p5-s6-X 9 60.000 180.000 2.000 estimated !!!
|
|
|
4925 X -py-sy-X 9 2.500 0.000 3.000
|
|
|
4926 X -sh-sh-X 1 5.600 0.000 3.000
|
|
|
4927 X -sh-ss-X 1 5.300 0.000 3.000
|
|
|
4928 X -sh-s4-X 2 1.400 0.000 3.000
|
|
|
4929 X -sh-sx-X 2 1.400 0.000 3.000
|
|
|
4930 X -sh-s6-X 3 14.000 180.000 2.000
|
|
|
4931 X -sh-sy-X 3 14.000 180.000 2.000
|
|
|
4932 X -ss-ss-X 1 0.000 0.000 3.000
|
|
|
4933 X -ss-s4-X 2 0.600 0.000 3.000
|
|
|
4934 X -ss-sx-X 2 0.600 0.000 3.000
|
|
|
4935 X -ss-s6-X 3 9.200 180.000 2.000
|
|
|
4936 X -ss-sy-X 3 9.200 180.000 2.000
|
|
|
4937 X -s4-s4-X 4 26.600 180.000 2.000 estimated !!!
|
|
|
4938 X -sx-sx-X 4 2.500 0.000 3.000
|
|
|
4939 X -s4-s6-X 6 40.000 180.000 2.000 estimated !!!
|
|
|
4940 X -sx-sy-X 6 26.000 180.000 2.000
|
|
|
4941 X -s6-s6-X 9 60.000 180.000 2.000 estimated !!!
|
|
|
4942 X -sy-sy-X 9 1.400 180.000 2.000
|
|
|
4943 c3-c -sh-hs 1 2.250 180.000 -2.000
|
|
|
4944 c3-c -sh-hs 1 1.300 180.000 1.000
|
|
|
4945 c2-c2-ss-c3 1 1.100 180.000 -2.000
|
|
|
4946 c2-c2-ss-c3 1 0.700 180.000 3.000
|
|
|
4947 c2-c2-n -c 1 0.650 180.000 -2.000
|
|
|
4948 c2-c2-n -c 1 1.200 180.000 1.000
|
|
|
4949 c -n -p2-c2 1 1.000 180.000 -2.000
|
|
|
4950 c -n -p2-c2 1 1.900 180.000 1.000
|
|
|
4951 n -c3-c -n 1 1.700 180.000 -1.
|
|
|
4952 n -c3-c -n 1 2.000 180.000 2.
|
|
|
4953 c -n -c3-c 1 0.850 180.000 -2.
|
|
|
4954 c -n -c3-c 1 0.800 0.000 1.
|
|
|
4955 c3-c3-n -c 1 0.50 180.0 -4. phi,psi,parm94
|
|
|
4956 c3-c3-n -c 1 0.15 180.0 -3. phi,psi,parm94
|
|
|
4957 c3-c3-n -c 1 0.53 0.0 1. phi,psi,parm94
|
|
|
4958 c3-c3-c -n 1 0.100 0.0 -4. phi,psi,parm94
|
|
|
4959 c3-c3-c -n 1 0.07 0.0 2. phi,psi,parm94
|
|
|
4960 c2-ne-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4961 c2-nf-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4962 ce-ne-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4963 ce-nf-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4964 cf-ne-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4965 cf-nf-p5-o 1 2.30 0.0 1. phi,psi,parm94
|
|
|
4966 hn-n -c -o 1 2.50 180.0 -2. JCC,7,(1986),230
|
|
|
4967 hn-n -c -o 1 2.00 0.0 1. J.C.cistrans-NMA DE
|
|
|
4968 c3-ss-ss-c3 1 3.50 0.0 -2. JCC,7,(1986),230
|
|
|
4969 c3-ss-ss-c3 1 0.60 0.0 3. JCC,7,(1986),230
|
|
|
4970 c3-n3-nh-ca 1 1.90 0.0 -2.
|
|
|
4971 c3-n3-nh-ca 1 1.90 0.0 3.
|
|
|
4972 c3-n3-p5-o 1 3.00 180.0 -2.
|
|
|
4973 c3-n3-p5-o 1 2.30 0.0 3.
|
|
|
4974 ca-nh-oh-ho 1 1.20 0.0 -1.
|
|
|
4975 ca-nh-oh-ho 2 3.00 0.0 2.
|
|
|
4976 oh-p5-os-c3 1 0.25 0.0 -3. JCC,7,(1986),230
|
|
|
4977 oh-p5-os-c3 1 1.20 0.0 2. gg> ene.631g*/mp2
|
|
|
4978 os-p5-os-c3 1 0.25 0.0 -3. JCC,7,(1986),230
|
|
|
4979 os-p5-os-c3 1 1.20 0.0 2. gg> ene.631g*/mp2
|
|
|
4980 h1-c3-c -o 1 0.80 0.0 -1. Junmei et al, 1999
|
|
|
4981 h1-c3-c -o 1 0.08 180.0 3. Junmei et al, 1999
|
|
|
4982 hc-c3-c -o 1 0.80 0.0 -1. Junmei et al, 1999
|
|
|
4983 hc-c3-c -o 1 0.08 180.0 3. Junmei et al, 1999
|
|
|
4984 hc-c3-c3-hc 1 0.15 0.0 3. Junmei et al, 1999
|
|
|
4985 hc-c3-c3-c3 1 0.16 0.0 3. Junmei et al, 1999
|
|
|
4986 hc-c3-c2-c2 1 0.38 180.0 -3. Junmei et al, 1999
|
|
|
4987 hc-c3-c2-c2 1 1.15 0.0 1. Junmei et al, 1999
|
|
|
4988 ho-oh-c3-c3 1 0.16 0.0 -3. Junmei et al, 1999
|
|
|
4989 ho-oh-c3-c3 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
4990 ho-oh-c -o 1 2.30 180.0 -2. Junmei et al, 1999
|
|
|
4991 ho-oh-c -o 1 1.90 0.0 1. Junmei et al, 1999
|
|
|
4992 c2-c2-c -o 1 2.175 180.0 -2. Junmei et al, 1999
|
|
|
4993 c2-c2-c -o 1 0.30 0.0 3. Junmei et al, 1999
|
|
|
4994 c3-c2-c2-c3 1 6.65 180.0 -2. Junmei et al, 1999
|
|
|
4995 c3-c2-c2-c3 1 1.90 180.0 1. Junmei et al, 1999
|
|
|
4996 c3-c3-c3-c3 1 0.18 0.0 -3. Junmei et al, 1999
|
|
|
4997 c3-c3-c3-c3 1 0.25 180.0 -2. Junmei et al, 1999
|
|
|
4998 c3-c3-c3-c3 1 0.20 180.0 1. Junmei et al, 1999
|
|
|
4999 c3-c3-n3-c3 1 0.30 0.0 -3. Junmei et al, 1999
|
|
|
5000 c3-c3-n3-c3 1 0.48 180.0 2. Junmei et al, 1999
|
|
|
5001 c3-c3-os-c3 1 0.383 0.0 -3.
|
|
|
5002 c3-c3-os-c3 1 0.1 180.0 2.
|
|
|
5003 c3-c3-os-c 1 0.383 0.0 -3. Junmei et al, 1999
|
|
|
5004 c3-c3-os-c 1 0.80 180.0 1. Junmei et al, 1999
|
|
|
5005 c3-os-c3-os 1 0.10 0.0 -3. Junmei et al, 1999
|
|
|
5006 c3-os-c3-os 1 0.85 180.0 -2. Junmei et al, 1999
|
|
|
5007 c3-os-c3-os 1 1.35 180.0 1. Junmei et al, 1999
|
|
|
5008 c3-os-c3-na 1 0.383 0.0 -3. parm98.dat, TC,PC,PAK
|
|
|
5009 c3-os-c3-na 1 0.65 0.0 2. Piotr et al.
|
|
|
5010 o -c -os-c3 1 2.70 180.0 -2. Junmei et al, 1999
|
|
|
5011 o -c -os-c3 1 1.40 180.0 1. Junmei et al, 1999
|
|
|
5012 os-c3-na-c2 1 0.00 000.0 -2. parm98, TC,PC,PAK
|
|
|
5013 os-c3-na-c2 1 2.50 0.0 1. parm98, TC,PC,PAK
|
|
|
5014 os-c3-c3-os 1 0.144 0.0 -3. parm98, TC,PC,PAK
|
|
|
5015 os-c3-c3-os 1 1.175 0.0 2. Piotr et al.
|
|
|
5016 os-c3-c3-oh 1 0.144 0.0 -3. parm98, TC,PC,PAK
|
|
|
5017 os-c3-c3-oh 1 1.175 0.0 2. parm98, TC,PC,PAK
|
|
|
5018 oh-c3-c3-oh 1 0.144 0.0 -3. parm98, TC,PC,PAK
|
|
|
5019 oh-c3-c3-oh 1 1.175 0.0 2. parm98, TC,PC,PAK
|
|
|
5020 f -c3-c3-f 1 1.20 180.0 1. Junmei et al, 1999
|
|
|
5021 cl-c3-c3-cl 1 0.45 180.0 1. Junmei et al, 1999
|
|
|
5022 br-c3-c3-br 1 0.00 180.0 1. Junmei et al, 1999
|
|
|
5023 h1-c3-c3-os 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5024 h1-c3-c3-oh 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5025 h1-c3-c3-f 1 0.19 0.0 1. Junmei et al, 1999
|
|
|
5026 h1-c3-c3-cl 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5027 h1-c3-c3-br 1 0.55 0.0 1. Junmei et al, 1999
|
|
|
5028 hc-c3-c3-os 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5029 hc-c3-c3-oh 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5030 hc-c3-c3-f 1 0.19 0.0 1. Junmei et al, 1999
|
|
|
5031 hc-c3-c3-cl 1 0.25 0.0 1. Junmei et al, 1999
|
|
|
5032 hc-c3-c3-br 1 0.55 0.0 1. Junmei et al, 1999
|
|
|
5033
|
|
|
5034 X -o -c -o 1.1 180. 2. JCC,7,(1986),230
|
|
|
5035 X -X -c -o 10.5 180. 2. JCC,7,(1986),230
|
|
|
5036 X -X -ca-ha 1.1 180. 2. bsd.on C6H6 nmodes
|
|
|
5037 X -X -n -hn 1.1 180. 2. JCC,7,(1986),230
|
|
|
5038 X -X -n2-hn 1.1 180. 2. JCC,7,(1986),230
|
|
|
5039 X -X -na-hn 1.1 180. 2. JCC,7,(1986),230
|
|
|
5040 X -c3-n -c3 1.1 180. 2. JCC,7,(1986),230
|
|
|
5041 X -n2-ca-n2 10.5 180. 2. JCC,7,(1986),230
|
|
|
5042 c -c2-c2-c3 1.1 180. 2. dac guess, 9/94
|
|
|
5043 c -ca-ca-c3 1.1 180. 2. dac guess, 9/94
|
|
|
5044 c -c3-n -hn 1.1 180. 2. Junmei et al.1999
|
|
|
5045 c -c3-n -o 1.1 180. 2. Junmei et al.1999
|
|
|
5046 c2-c2-na-c3 1.1 180. 2.
|
|
|
5047 c2-c -c2-c3 1.1 180. 2.
|
|
|
5048 c3-o -c -oh 1.1 180. 2.
|
|
|
5049 c2-c3-c2-hc 1.1 180. 2. Junmei et al.1999
|
|
|
5050 c2-c3-ca-hc 1.1 180. 2. Junmei et al.1999
|
|
|
5051 c2-hc-c -o 1.1 180. 2. Junmei et al.1999
|
|
|
5052 c3-o -c -oh 1.1 180. 2.
|
|
|
5053 c3-c2-c2-n2 1.1 180. 2.
|
|
|
5054 c3-c2-c2-na 1.1 180. 2.
|
|
|
5055 c3-ca-ca-n2 1.1 180. 2.
|
|
|
5056 c3-ca-ca-na 1.1 180. 2.
|
|
|
5057 ca-ca-ca-c2 1.1 180. 2.
|
|
|
5058 ca-ca-ca-c3 1.1 180. 2.
|
|
|
5059 ca-ca-ca-f 1.1 180. 2. Junmei et al.1999
|
|
|
5060 ca-ca-ca-cl 1.1 180. 2. Junmei et al.1999
|
|
|
5061 ca-ca-ca-br 1.1 180. 2. Junmei et al.1999
|
|
|
5062 ca-ca-ca-i 1.1 180. 2. Junmei et al.1999
|
|
|
5063 ca-ca-c -oh 1.1 180. 2. (not used in tyr!)
|
|
|
5064 ca-ca-na-c3 1.1 180. 2.
|
|
|
5065 ca-c -ca-c3 1.1 180. 2.
|
|
|
5066 ca-hc-c -o 1.1 180. 2. Junmei et al.1999
|
|
|
5067 ca-n2-ca-n2 1.1 180. 2. dac, 10/94
|
|
|
5068 hc-o -c -oh 1.1 180. 2. Junmei et al.1999
|
|
|
5069 hc-o -c -os 1.1 180. 2.
|
|
|
5070 n2-c2-ca-n2 1.1 180. 2. dac guess, 9/94
|
|
|
5071 n2-ca-ca-c3 1.1 180. 2.
|
|
|
5072 n2-ca-ca-n2 1.1 180. 2. dac guess, 9/94
|
|
|
5073 na-ca-ca-c3 1.1 180. 2.
|
|
|
5074 na-n2-ca-n2 1.1 180. 2. dac, 10/94
|
|
|
5075
|
|
|
5076 hw ow 0000. 0000. 4. flag for fast water
|
|
|
5077
|
|
|
5078 n na n2
|
|
|
5079
|
|
|
5080 MOD4 RE
|
|
|
5081 h1 1.3870 0.0157 Veenstra et al JCC,8,(1992),963
|
|
|
5082 h2 1.2870 0.0157 Veenstra et al JCC,8,(1992),963
|
|
|
5083 h3 1.1870 0.0157 Veenstra et al JCC,8,(1992),963
|
|
|
5084 h4 1.4090 0.0150 Spellmeyer, one electrowithdr. neighbor
|
|
|
5085 h5 1.3590 0.0150 Spellmeyer, two electrowithdr. neighbor
|
|
|
5086 ha 1.4590 0.0150 Spellmeyer
|
|
|
5087 hc 1.4870 0.0157 OPLS
|
|
|
5088 hn 0.6000 0.0157 !Ferguson base pair geom.
|
|
|
5089 ho 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657
|
|
|
5090 hp 0.6000 0.0157 same to hs (be careful !)
|
|
|
5091 hs 0.6000 0.0157 W. Cornell CH3SH --> CH3OH FEP
|
|
|
5092 hw 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657
|
|
|
5093 hx 1.1000 0.0157 Veenstra et al JCC,8,(1992),963
|
|
|
5094 o 1.6612 0.2100 OPLS
|
|
|
5095 oh 1.7210 0.2104 OPLS
|
|
|
5096 os 1.6837 0.1700 OPLS ether
|
|
|
5097 ow 1.7683 0.1520 TIP3P water model
|
|
|
5098 c 1.9080 0.0860 OPLS
|
|
|
5099 c1 1.9080 0.0860 cp C
|
|
|
5100 c2 1.9080 0.0860 sp2 atom in the middle of C=CD-CD=C
|
|
|
5101 c3 1.9080 0.1094 OPLS
|
|
|
5102 ca 1.9080 0.0860 OPLS
|
|
|
5103 cc 1.9080 0.0860 OPLS
|
|
|
5104 cd 1.9080 0.0860 OPLS
|
|
|
5105 ce 1.9080 0.0860 OPLS
|
|
|
5106 cf 1.9080 0.0860 OPLS
|
|
|
5107 cg 1.9080 0.0860 OPLS
|
|
|
5108 ch 1.9080 0.0860 OPLS
|
|
|
5109 cp 1.9080 0.0860 OPLS
|
|
|
5110 cq 1.9080 0.0860 OPLS
|
|
|
5111 cu 1.9080 0.0860 OPLS
|
|
|
5112 cv 1.9080 0.0860 OPLS
|
|
|
5113 cx 1.9080 0.0860 OPLS
|
|
|
5114 cy 1.9080 0.0860 OPLS
|
|
|
5115 n 1.8240 0.1700 OPLS
|
|
|
5116 n1 1.8240 0.1700 OPLS
|
|
|
5117 n2 1.8240 0.1700 OPLS
|
|
|
5118 n3 1.8240 0.1700 OPLS
|
|
|
5119 n4 1.8240 0.1700 OPLS
|
|
|
5120 na 1.8240 0.1700 OPLS
|
|
|
5121 nb 1.8240 0.1700 OPLS
|
|
|
5122 nc 1.8240 0.1700 OPLS
|
|
|
5123 nd 1.8240 0.1700 OPLS
|
|
|
5124 ne 1.8240 0.1700 OPLS
|
|
|
5125 nf 1.8240 0.1700 OPLS
|
|
|
5126 nh 1.8240 0.1700 OPLS
|
|
|
5127 no 1.8240 0.1700 OPLS
|
|
|
5128 s 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5129 s2 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5130 s4 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5131 s6 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5132 sx 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5133 sy 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5134 sh 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5135 ss 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
|
|
|
5136 p2 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5137 p3 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5138 p4 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5139 p5 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5140 pb 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5141 px 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5142 py 2.1000 0.2000 JCC,7,(1986),230;
|
|
|
5143 f 1.75 0.061 Gough et al. JCC 13,(1992),963.
|
|
|
5144 cl 1.948 0.265 Fox, JPCB,102,8070,(98),flex.mdl CHCl3
|
|
|
5145 br 2.22 0.320 Junmei
|
|
|
5146 i 2.35 0.40 JCC,7,(1986),230;
|
|
|
5147
|
|
|
5148 END
|
|
|
5149
|
|
|
5150
|
|
|
5151
|
|
|
5152 ----------------------------------------------------------------------------
|
|
|
5153 Miscellaneous
|
|
|
5154 !!!! gaff is still in development, for some molecules, the current version
|
|
|
5155 may have some problems. Please find the latest parameter file from
|
|
|
5156 www.amber.ucsf.edu/antechamber.html
|
|
|
5157
|
|
|
5158 (1) Parameters for p4 are not enough
|
|
|
5159 (2) For bond lengty, bond angle and torsional angle parameters, hc and ha
|
|
|
5160 are the generic names of aliphatic and aromatic hydrogen connected
|
|
|
5161 to carbon, respectively.
|
|
|
5162 (3) Defination priority of nitrogen: n>n3, n>n4, n>nh, n2>n, no>n, na>n
|
|
|
5163 n4>nh
|
|
|
5164 (5) Although the four atom types are same, maybe there are several different
|
|
|
5165 parameters correspond to different bond types. You may need to use
|
|
|
5166 additional atom types to apply them correctly (with antechamber package,
|
|
|
5167 you can easily do this).
|
|
|
5168 (4) Polarizabilities: mg2+ 0.120, f- 0.9743
|
|
|
5169 ----------------------------------------------------------------------------
|
