0 mol 2 unq 0 iso 0 dist 6.47123 13.3672 9.8324 4.00237 8.3726 14.0048 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 9.15878 12.7019 5.39008 4.01547 7.29079 9.39293 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 8.70824 4.91776 6.81899 3.67097 6.86923 6.01866 numMergedOcc 0
3 mol 5 unq 1 iso 0 dist 9.05414 9.41864 9.22198 14.2463 9.95226 6.01866 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 5.93404 4.91776 8.91509 3.67097 4.60775 6.01866 numMergedOcc 0
5 mol 5 unq 3 iso 0 dist 6.70655 4.91776 7.89217 3.67097 8.64744 6.01866 numMergedOcc 0
6 mol 5 unq 4 iso 0 dist 6.70655 8.54255 6.99733 3.67097 8.64744 11.5915 numMergedOcc 0
7 mol 32 unq 0 iso 0 dist 5.07106 4.85885 7.13608 3.82644 5.42426 7.23274 numMergedOcc 0
8 mol 32 unq 1 iso 0 dist 5.07106 9.43074 9.46895 3.82644 5.42426 6.59787 numMergedOcc 0
9 mol 32 unq 2 iso 0 dist 4.92166 4.85885 4.95327 3.82644 8.03553 7.23274 numMergedOcc 0
10 mol 37 unq 0 iso 0 dist 7.17889 4.41085 6.82081 6.6276 9.86496 6.60479 numMergedOcc 0
11 mol 37 unq 1 iso 0 dist 8.38803 10.3951 6.82081 10.8321 9.86496 6.60479 numMergedOcc 0
12 mol 46 unq 0 iso 0 dist 5.02642 7.35107 7.43338 9.83606 7.44805 8.28528 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 9.04514 7.35749 9.79657 14.436 8.52681 10.6247 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 9.04514 7.35749 9.79657 12.7654 9.98769 7.07594 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 6.69184 13.1841 6.7939 12.7379 7.9575 8.50831 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.69184 6.94793 8.44695 12.7379 7.9575 11.1595 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 6.69184 4.5646 5.68894 12.7379 7.9575 10.3098 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 8.92491 9.81264 9.26231 13.3471 9.50939 14.6307 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 7.41861 7.01534 9.26231 9.68005 9.50939 14.6307 numMergedOcc 0
20 mol 83 unq 0 iso 0 dist 6.77845 5.83828 7.9309 5.31562 5.13041 6.60457 numMergedOcc 0
21 mol 83 unq 1 iso 0 dist 5.48555 7.62986 7.9309 8.56578 5.13041 6.60457 numMergedOcc 0
22 mol 83 unq 2 iso 0 dist 5.39805 3.52321 7.9309 3.7497 5.13041 6.60457 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 7.70808 10.2351 5.26536 3.7209 4.36944 7.30094 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 8.38255 7.18501 7.21779 9.848 6.81144 5.19808 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 8.80952 9.41162 8.95432 3.72916 7.76952 5.70473 numMergedOcc 0
26 mol 158 unq 1 iso 0 dist 8.80952 9.41162 8.95432 17.8569 9.98554 17.2865 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 9.1056 7.47696 4.59484 5.58661 8.82481 6.65338 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 6.60418 10.39 8.32987 11.5164 9.19939 4.83267 numMergedOcc 0
29 mol 173 unq 1 iso 0 dist 6.60418 11.8927 8.44321 11.5164 9.19939 7.13056 numMergedOcc 0
30 mol 183 unq 0 iso 0 dist 6.0782 7.60712 9.84649 9.03854 8.69656 14.1568 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 6.36789 9.85164 9.60838 12.2056 8.92335 5.21542 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 9.78743 9.99333 5.83093 16.7863 7.97601 9.42206 numMergedOcc 0
33 mol 225 unq 0 iso 0 dist 6.97662 5.60637 7.0412 7.99586 6.35772 9.71885 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 7.15878 13.3804 9.82057 9.98527 4.37138 7.14354 numMergedOcc 0
35 mol 239 unq 1 iso 0 dist 4.53228 4.53635 7.10828 6.29809 5.4687 10.0889 numMergedOcc 0
36 mol 239 unq 2 iso 0 dist 8.54078 9.93977 7.10828 8.19053 5.4687 10.0889 numMergedOcc 0
37 mol 271 unq 0 iso 0 dist 6.96986 5.03107 5.76281 5.67979 9.97897 6.06968 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.8547 6.64327 8.76302 11.1514 8.82003 7.97612 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 7.8547 14.7137 9.11322 11.1514 8.82003 5.60035 numMergedOcc 0
