0 mol 4 unq 0 iso 0 dist 9.63758 9.34175 9.12428 6.88837 5.93454 12.0855 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.01055 11.8626 6.89519 11.69 6.8848 5.67536 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.01055 13.1565 5.24341 11.69 6.8848 6.96891 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.6051 6.98179 9.75368 7.81704 6.6691 10.5773 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 6.6051 6.98179 9.75368 11.1322 9.23807 11.4628 numMergedOcc 0
5 mol 12 unq 2 iso 0 dist 6.6051 6.98179 9.75368 13.5603 9.52857 10.9547 numMergedOcc 0
6 mol 12 unq 3 iso 0 dist 8.15864 6.9065 9.75368 12.0704 6.6691 10.5773 numMergedOcc 0
7 mol 12 unq 4 iso 0 dist 8.15864 6.9065 9.75368 12.4138 9.23807 11.4628 numMergedOcc 0
8 mol 12 unq 5 iso 0 dist 8.15864 6.9065 9.75368 4.40652 9.52857 10.9547 numMergedOcc 0
9 mol 15 unq 0 iso 0 dist 9.05123 6.09263 6.82187 11.9755 8.3794 9.75966 numMergedOcc 0
10 mol 15 unq 1 iso 0 dist 9.09251 6.64544 6.60595 12.1533 8.37378 10.1154 numMergedOcc 0
11 mol 33 unq 0 iso 0 dist 8.74487 6.76964 9.79966 6.29569 9.8482 12.3527 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 8.74487 8.87482 5.52992 6.29569 9.8482 12.9702 numMergedOcc 0
13 mol 33 unq 2 iso 0 dist 7.44828 5.7655 9.79966 13.6327 9.8482 12.3527 numMergedOcc 0
14 mol 33 unq 3 iso 0 dist 7.44828 5.62472 5.52992 13.6327 9.8482 12.9702 numMergedOcc 0
15 mol 64 unq 0 iso 0 dist 8.52643 15.4665 8.75668 12.0216 5.94373 6.21578 numMergedOcc 0
16 mol 64 unq 1 iso 0 dist 8.52643 9.48441 9.64871 12.0216 5.94373 11.4485 numMergedOcc 0
17 mol 64 unq 2 iso 0 dist 8.52643 4.76091 9.95118 12.0216 5.94373 13.1551 numMergedOcc 0
18 mol 64 unq 3 iso 0 dist 5.41357 9.95527 8.75668 7.07433 5.94373 6.21578 numMergedOcc 0
19 mol 64 unq 4 iso 0 dist 5.41357 6.41829 9.64871 7.07433 5.94373 11.4485 numMergedOcc 0
20 mol 64 unq 5 iso 0 dist 5.41357 6.13923 9.95118 7.07433 5.94373 13.1551 numMergedOcc 0
21 mol 105 unq 0 iso 0 dist 6.1083 11.0473 8.67414 10.2375 6.09256 9.96719 numMergedOcc 0
22 mol 105 unq 1 iso 0 dist 6.11833 11.5147 9.94398 8.65154 8.40598 11.0132 numMergedOcc 0
23 mol 105 unq 2 iso 0 dist 7.12201 9.36409 9.94398 11.2367 8.40598 11.0132 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 9.84762 6.45382 9.20041 7.29711 7.89317 6.19368 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 5.2184 5.82484 9.20041 4.96177 7.89317 6.19368 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 9.52061 5.99695 8.59695 5.9261 6.52844 4.55551 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 7.6453 4.80675 8.00624 8.73165 9.7113 4.92472 numMergedOcc 0
28 mol 129 unq 2 iso 0 dist 7.6453 7.01358 8.42289 8.73165 9.7113 12.263 numMergedOcc 0
29 mol 140 unq 0 iso 0 dist 8.94921 4.58643 8.92292 15.2897 9.04575 16.5677 numMergedOcc 0
30 mol 140 unq 1 iso 0 dist 8.94921 11.6044 8.67876 15.2897 9.04575 11.9251 numMergedOcc 0
31 mol 140 unq 2 iso 0 dist 8.94921 15.8205 9.11235 15.2897 9.04575 8.5945 numMergedOcc 0
32 mol 140 unq 3 iso 0 dist 8.94921 10.0917 8.15118 15.2897 9.04575 6.84624 numMergedOcc 0
33 mol 140 unq 4 iso 0 dist 7.77669 13.7353 8.92292 5.62785 9.04575 16.5677 numMergedOcc 0
34 mol 140 unq 5 iso 0 dist 7.77669 12.5321 8.67876 5.62785 9.04575 11.9251 numMergedOcc 0
35 mol 140 unq 6 iso 0 dist 7.77669 11.9489 9.11235 5.62785 9.04575 8.5945 numMergedOcc 0
36 mol 140 unq 7 iso 0 dist 7.77669 4.95731 8.15118 5.62785 9.04575 6.84624 numMergedOcc 0
37 mol 147 unq 0 iso 0 dist 5.32865 12.348 9.88662 5.96025 7.08651 8.57132 numMergedOcc 0
38 mol 147 unq 1 iso 0 dist 5.32865 12.348 9.88662 5.19485 6.78887 13.3253 numMergedOcc 0
39 mol 198 unq 0 iso 0 dist 7.86075 5.27534 9.19061 6.51466 9.60514 11.1439 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 9.52029 18.5654 9.44947 16.9386 7.59757 5.86489 numMergedOcc 0
41 mol 236 unq 0 iso 0 dist 8.63249 10.2557 5.90804 11.7955 5.91739 9.52712 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 7.74348 6.49831 5.90804 8.52618 5.91739 9.52712 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.46734 6.03322 6.43546 11.7623 8.99878 10.0842 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 8.04712 5.28949 6.03235 5.20184 9.95217 6.61689 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 6.66936 7.44724 4.81916 5.41599 9.35976 7.70529 numMergedOcc 0
46 mol 277 unq 2 iso 0 dist 8.15119 5.77904 4.81916 12.7485 9.35976 7.70529 numMergedOcc 0
47 mol 293 unq 0 iso 0 dist 4.72125 5.66805 5.44043 5.82185 6.67882 5.46037 numMergedOcc 0
48 mol 293 unq 1 iso 0 dist 7.41524 8.15525 5.44043 4.27008 6.67882 5.46037 numMergedOcc 0
49 mol 293 unq 2 iso 0 dist 6.42608 9.35524 5.44043 5.75555 6.67882 5.46037 numMergedOcc 0
