0 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 8.18572 5.34337 5.31985 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.29601 6.91417 13.7755 8.72835 8.28572 9.48557 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.11115 8.27456 12.0894 8.0675 10.6733 3.94537 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.62903 6.5258 4.87668 5.80831 8.8974 9.05551 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.73544 5.11612 6.37222 6.17349 4.74043 4.48636 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.73544 5.11612 6.37222 9.21978 11.1895 6.63111 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.93793 5.22628 6.51536 9.26505 11.5732 6.95773 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 5.58346 7.55822 7.08076 5.93365 5.77115 3.87365 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 7.09179 7.55822 10.0812 5.93365 9.75449 3.87365 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.89646 9.23551 10.2089 8.73613 5.84771 5.59468 numMergedOcc 0
10 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 9.3066 10.4887 6.2342 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.83024 5.5581 6.21569 9.04035 15.1579 11.3125 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 5.42605 8.18588 7.3737 6.2767 7.00744 11.1708 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 8.8602 13.1212 5.71505 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 8.82741 9.39147 7.07529 8.8602 13.1212 11.8376 numMergedOcc 0
15 mol 292 unq 0 iso 0 dist 6.51561 8.44108 4.92497 9.18386 5.90311 7.09754 numMergedOcc 0
