0 mol 12 unq 0 iso 0 dist 6.13335 4.46781 9.41745 9.3276 8.79013 8.10227 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.87251 10.3283 9.16827 5.34976 5.19462 5.07458 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.81257 5.84171 9.16827 6.59001 5.19462 5.07458 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.57343 11.6128 9.31319 12.7344 9.72136 13.1434 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.57343 11.6128 9.31319 13.9221 4.61355 10.9054 numMergedOcc 0
5 mol 46 unq 2 iso 0 dist 9.57343 6.124 8.2513 12.7344 9.72136 14.5035 numMergedOcc 0
6 mol 46 unq 3 iso 0 dist 9.57343 6.124 8.2513 13.9221 4.61355 12.3186 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.28709 9.17087 7.95122 15.9426 8.55467 8.70781 numMergedOcc 0
8 mol 70 unq 1 iso 0 dist 9.28709 5.33532 9.74268 15.9426 8.55467 13.4238 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 6.99027 5.60367 8.93196 6.10195 7.062 7.50394 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.12598 5.24418 7.43775 6.16219 5.42764 4.0204 numMergedOcc 0
11 mol 122 unq 1 iso 0 dist 6.12598 9.66073 8.09594 6.16219 5.42764 3.90443 numMergedOcc 0
12 mol 122 unq 2 iso 0 dist 7.15796 9.42426 7.43775 5.48837 5.42764 4.0204 numMergedOcc 0
13 mol 122 unq 3 iso 0 dist 7.15796 5.77589 8.09594 5.48837 5.42764 3.90443 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 9.06373 4.4932 8.87148 8.03795 8.18122 4.1335 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 6.44701 5.78098 8.62898 6.61179 9.23896 4.94499 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 6.44701 5.78098 8.62898 5.13506 6.02506 9.29878 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 7.33878 11.9395 9.7168 5.13506 9.8506 15.239 numMergedOcc 0
18 mol 148 unq 3 iso 0 dist 7.33878 8.04205 7.38138 5.13506 9.8506 8.68046 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 6.49658 5.7873 8.6102 6.77943 9.46439 4.99218 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 6.49658 5.7873 8.6102 5.16426 6.07854 9.35505 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 7.48646 11.9366 9.61132 5.16426 9.91991 15.2388 numMergedOcc 0
22 mol 150 unq 3 iso 0 dist 7.48646 7.9422 7.34423 5.16426 9.91991 8.55576 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 9.66949 4.78033 8.1504 5.29231 6.22696 4.63654 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 4.39804 7.74458 5.80867 6.73613 8.37455 6.0599 numMergedOcc 0
25 mol 198 unq 1 iso 0 dist 9.77781 5.21925 5.80867 8.89394 8.37455 6.0599 numMergedOcc 0
26 mol 198 unq 2 iso 0 dist 7.88734 7.74458 9.4363 8.61891 8.80827 15.1173 numMergedOcc 0
27 mol 198 unq 3 iso 0 dist 7.88734 7.74458 9.4363 6.73613 8.17562 6.0599 numMergedOcc 0
28 mol 198 unq 4 iso 0 dist 8.80253 5.21925 9.4363 16.7858 8.80827 15.1173 numMergedOcc 0
29 mol 198 unq 5 iso 0 dist 8.80253 5.21925 9.4363 8.89394 8.17562 6.0599 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 8.74491 7.15202 9.40939 9.36305 7.31478 11.7829 numMergedOcc 0
31 mol 213 unq 1 iso 0 dist 8.74491 11.621 9.06306 9.36305 7.31478 4.72944 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 8.61758 4.7088 8.3035 10.6488 8.9694 8.48942 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 5.45548 4.7088 9.01896 5.055 8.70011 8.52282 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 8.06649 6.15778 6.18342 10.3411 9.41222 9.19059 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.01956 4.36479 6.8133 6.81187 6.98961 5.50627 numMergedOcc 0
