0 mol 8 unq 0 iso 0 dist 9.73496 8.82216 8.80278 15.7716 9.60336 8.76702 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.73496 8.82216 8.80278 15.0004 13.4423 6.27477 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 9.23849 5.44478 14.2056 6.9065 9.41745 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.66616 5.1218 8.41008 11.7842 12.4427 7.0928 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 8.45341 11.4158 7.18799 11.0739 5.19926 7.26032 numMergedOcc 0
5 mol 86 unq 1 iso 0 dist 8.45341 9.68657 8.4254 11.0739 5.19926 5.49793 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 7.95136 9.17593 5.72494 13.026 6.07628 5.94478 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 5.8915 9.17593 8.70106 13.026 10.2138 5.94478 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.15949 8.20626 5.66196 6.71345 5.24877 5.87387 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 6.15949 8.20626 5.66196 11.7295 8.47567 6.06543 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.44313 7.34635 6.78551 10.5967 6.28781 5.09114 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 9.40595 12.7248 7.80819 13.6842 4.57807 9.2806 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.65807 10.9875 6.5114 17.4164 9.18721 9.78456 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.7402 4.94726 8.2872 4.9155 7.46245 6.99089 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 6.4413 8.90222 5.86949 7.95671 5.34721 8.62898 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 6.4413 11.3382 6.72591 17.9174 12.9245 9.7168 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 6.4413 11.3382 6.72591 16.8526 10.5987 7.38138 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 6.62609 8.93873 5.84971 8.12659 5.38822 8.6102 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 6.62609 11.5334 6.80192 18.0229 12.8684 9.61132 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 6.62609 11.5334 6.80192 16.9258 10.4881 7.34423 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.21538 9.53929 9.42196 15.6024 13.9897 6.31492 numMergedOcc 0
21 mol 187 unq 0 iso 0 dist 9.55621 5.27509 5.26804 9.38169 4.98423 7.68247 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 6.77351 10.3814 8.81184 18.0396 13.1061 9.58744 numMergedOcc 0
23 mol 189 unq 1 iso 0 dist 8.4676 16.383 8.81184 20.9954 13.1061 9.58744 numMergedOcc 0
24 mol 189 unq 2 iso 0 dist 8.01521 10.5365 9.20296 8.59972 6.36139 9.58744 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.32703 12.1436 9.09371 11.3699 5.71921 9.93154 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.32703 12.1436 9.09371 16.5808 9.08864 9.18218 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 8.32703 12.1436 9.09371 15.5504 8.98613 6.18486 numMergedOcc 0
28 mol 227 unq 3 iso 0 dist 8.25412 14.3715 9.09371 13.6898 5.71921 9.93154 numMergedOcc 0
29 mol 227 unq 4 iso 0 dist 8.25412 14.3715 9.09371 16.7007 9.08864 9.18218 numMergedOcc 0
30 mol 227 unq 5 iso 0 dist 8.25412 14.3715 9.09371 15.3272 8.98613 6.18486 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 7.4491 5.22097 7.00773 13.4868 9.4693 9.82174 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.4491 5.22097 7.00773 13.5947 13.931 9.2521 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 7.4491 5.22097 7.00773 11.5068 15.2654 8.51359 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 9.4344 12.7577 9.31855 16.6933 13.943 9.78185 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 5.41885 6.85131 9.31855 12.196 13.943 9.78185 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 7.76337 6.399 8.27377 13.0194 12.8819 7.0247 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 8.80626 9.56395 4.66252 18.2946 11.3048 9.22576 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 8.80626 9.56395 4.66252 18.2946 11.3048 9.22576 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 8.80626 9.56395 4.66252 18.2946 11.3048 9.22576 numMergedOcc 0
40 mol 292 unq 0 iso 0 dist 7.26887 5.2943 9.20553 10.3954 9.63504 6.8133 numMergedOcc 0
