0 mol 2 unq 0 iso 0 dist 9.9335 9.49821 15.5299 6.38677 7.37296 12.8366 7.99162 11.2776 4.67907 9.58976 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 9.49821 15.5299 6.38677 7.37296 12.8366 15.1169 11.0228 17.0605 9.57645 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.8592 6.95017 12.6897 7.91041 9.67498 11.4058 10.8066 15.0231 17.2724 9.85726 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 6.15949 8.85912 5.50163 5.67441 5.31281 10.5582 6.99793 7.65733 11.1664 7.25166 numMergedOcc 0
4 mol 114 unq 1 iso 0 dist 6.15949 8.85912 5.50163 5.67441 5.31281 10.5582 6.71345 5.24877 4.77991 8.42445 numMergedOcc 0
5 mol 165 unq 0 iso 0 dist 9.76113 5.81507 9.87656 10.2845 8.64349 13.6596 13.5476 5.10218 12.7641 9.78437 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.614 7.10634 5.6672 9.24302 8.78709 11.4954 10.043 9.49952 10.6599 6.00053 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 5.60195 5.79015 6.68491 8.66923 7.86207 8.40945 11.8036 10.6943 6.29733 9.8711 numMergedOcc 0
8 mol 220 unq 1 iso 0 dist 7.87359 6.86637 6.68491 5.3178 7.86207 8.40945 11.1368 10.6943 6.29733 9.8711 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 6.3687 9.45587 12.0828 12.3798 7.20862 15.9167 16.2939 10.5706 17.1336 9.5723 numMergedOcc 0
10 mol 241 unq 0 iso 0 dist 7.16232 9.89398 13.7032 10.121 9.174 19.0883 6.90245 7.93809 10.8667 9.72526 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 9.44017 9.57943 4.88869 13.998 8.81903 12.0719 12.4086 5.28949 10.1032 6.60309 numMergedOcc 0
12 mol 278 unq 0 iso 0 dist 6.03414 9.23937 5.63407 5.49004 8.87405 11.6081 9.91518 8.66976 14.0179 9.82774 numMergedOcc 0
