0 mol 1 unq 0 iso 0 dist 9.76602 5.55519 6.2936 9.77112 7.46399 7.69087 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 5.66743 7.71964 7.96312 3.9551 7.18409 5.24778 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 5.66743 7.71964 7.96312 5.10645 6.21163 12.0951 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 5.66743 10.066 7.67129 3.9551 7.18409 7.83976 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 5.66743 10.066 7.67129 5.10645 6.21163 12.7455 numMergedOcc 0
5 mol 27 unq 4 iso 0 dist 7.42669 13.2287 7.96312 10.978 7.18409 5.24778 numMergedOcc 0
6 mol 27 unq 5 iso 0 dist 7.42669 13.2287 7.96312 5.00553 6.21163 12.0951 numMergedOcc 0
7 mol 27 unq 6 iso 0 dist 7.42669 14.8458 7.67129 10.978 7.18409 7.83976 numMergedOcc 0
8 mol 27 unq 7 iso 0 dist 7.42669 14.8458 7.67129 5.00553 6.21163 12.7455 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 6.66861 8.03646 9.89804 10.9658 9.95327 17.7567 numMergedOcc 0
10 mol 55 unq 1 iso 0 dist 6.66861 8.03646 9.89804 8.71074 7.50825 5.50549 numMergedOcc 0
11 mol 55 unq 2 iso 0 dist 6.72084 13.0255 9.89804 6.24438 9.95327 17.7567 numMergedOcc 0
12 mol 55 unq 3 iso 0 dist 6.72084 13.0255 9.89804 12.0589 7.50825 5.50549 numMergedOcc 0
13 mol 83 unq 0 iso 0 dist 9.97781 8.47939 7.65069 12.1829 9.50228 14.9082 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.11127 4.24483 5.74593 7.18999 8.66742 7.22864 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 6.37888 6.18402 5.74593 4.90255 8.66742 7.22864 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 7.11438 11.011 5.74593 9.84923 8.66742 7.22864 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 9.18898 4.68995 6.15654 14.8919 7.44343 10.9929 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 7.4518 8.97237 7.8962 12.7865 8.0955 5.40647 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.27794 7.3536 4.86767 5.80915 7.78223 3.97585 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 7.6005 8.77017 8.03113 5.17486 6.63731 4.44169 numMergedOcc 0
21 mol 116 unq 1 iso 0 dist 7.6005 16.186 9.2638 5.17486 6.63731 13.3535 numMergedOcc 0
22 mol 116 unq 2 iso 0 dist 8.7583 7.43615 8.03113 6.28627 6.63731 4.44169 numMergedOcc 0
23 mol 116 unq 3 iso 0 dist 8.7583 17.5453 9.2638 6.28627 6.63731 13.3535 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 8.73484 9.39537 8.64019 13.5076 9.37051 11.5499 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 7.6793 3.56357 8.71007 5.05068 6.37143 6.50283 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 8.15381 9.50121 8.2232 4.58247 6.69623 11.3094 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 8.15381 9.50121 8.2232 9.70849 6.21951 9.69198 numMergedOcc 0
28 mol 206 unq 2 iso 0 dist 8.15381 8.94472 6.07229 4.58247 6.69623 8.73597 numMergedOcc 0
29 mol 206 unq 3 iso 0 dist 8.15381 8.94472 6.07229 9.70849 6.21951 4.95828 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.32097 10.4255 9.33514 10.9196 9.32649 17.4612 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 7.4513 4.68697 7.46122 5.13031 9.05637 9.69089 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 7.83422 9.592 9.25162 8.47021 6.23146 6.32212 numMergedOcc 0
33 mol 233 unq 0 iso 0 dist 9.73592 4.69192 9.83883 6.04517 9.82733 8.37757 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 9.69704 13.127 9.29788 17.557 9.6479 8.79627 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 9.69704 14.7487 9.50983 17.557 9.6479 5.05272 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 6.60049 9.28841 8.67838 9.93138 9.46421 6.27756 numMergedOcc 0
