0 mol 13 unq 0 iso 0 dist 7.71544 9.44958 10.8881 11.3605 15.5309 5.78148 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 7.71544 9.44958 10.8881 13.8587 16.4945 6.26071 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 7.71544 9.44958 10.8881 16.4369 16.7929 8.43325 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.6112 6.73259 6.29311 4.09495 6.88695 5.69955 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.6112 6.73259 6.29311 8.18809 14.2765 8.6385 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.84249 7.98999 13.6459 6.68714 13.5949 7.23962 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 7.84249 7.98999 13.6459 10.8795 18.6909 9.00067 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.84249 7.98999 13.6459 13.2606 20.5919 9.89499 numMergedOcc 0
8 mol 112 unq 3 iso 0 dist 7.84249 7.98999 13.6459 6.71889 14.2434 7.30204 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.72434 6.13391 6.00304 6.0968 6.40546 6.98934 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 8.43293 9.27951 4.63594 5.89379 7.04864 8.93905 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 8.80041 7.62584 7.19014 11.4663 15.3663 8.33077 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.64946 6.0733 5.57319 4.58263 12.1776 8.56003 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 7.5447 5.80513 6.56076 4.12904 11.6021 8.38738 numMergedOcc 0
14 mol 163 unq 1 iso 0 dist 9.04757 5.80513 4.9482 4.12904 9.63873 8.38738 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.718 7.31388 11.0997 3.84723 11.8313 5.37446 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 8.61629 7.31388 11.2533 3.84723 10.4825 5.37446 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 9.18638 9.74081 6.08522 4.37008 9.5822 7.42587 numMergedOcc 0
18 mol 251 unq 0 iso 0 dist 8.89433 8.38382 9.21735 8.64172 7.4878 8.01198 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.64278 8.78354 5.67781 11.5659 10.2123 6.70815 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 9.64278 8.78354 5.67781 11.716 13.5424 7.99477 numMergedOcc 0
21 mol 258 unq 2 iso 0 dist 6.15713 8.15795 6.73942 12.227 15.0351 9.53063 numMergedOcc 0
22 mol 258 unq 3 iso 0 dist 6.15713 8.78354 4.88527 11.5659 10.6749 6.70815 numMergedOcc 0
23 mol 258 unq 4 iso 0 dist 6.15713 8.78354 4.88527 11.716 11.4077 7.99477 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 8.12306 6.89391 13.3596 4.16039 12.0919 5.31728 numMergedOcc 0
