0 mol 60 unq 0 iso 0 dist 8.6492 6.30425 4.65127 6.39094 6.63448 5.71764 15.9891 11.2415 9.96399 12.8147 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 8.6492 6.30425 4.65127 6.39094 6.63448 5.71764 12.9682 5.94827 7.55695 8.4312 numMergedOcc 0
2 mol 60 unq 2 iso 0 dist 8.6492 6.30425 4.65127 6.39094 6.63448 5.71764 12.2083 5.32257 8.82176 7.48086 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 5.20528 11.5334 8.70863 4.78636 5.05893 12.7386 13.2455 11.165 8.00777 15.9486 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 5.20528 11.5334 8.70863 4.78636 5.05893 12.7386 9.9795 9.29301 7.1589 13.3997 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 5.20528 11.5334 8.70863 7.24335 5.71866 14.1999 13.2455 11.165 8.00777 16.3916 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 5.20528 11.5334 8.70863 7.24335 5.71866 14.1999 9.9795 9.29301 7.1589 14.6517 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 5.19438 7.06723 7.3964 5.30464 9.13187 11.182 6.21351 5.04559 5.92032 11.4929 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.86487 13.2927 9.77017 4.9759 8.72725 8.59786 12.6327 5.39346 8.729 10.2348 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.86487 13.2927 9.77017 6.59976 6.11407 9.00531 12.6327 5.39346 8.729 9.95699 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 7.85849 17.112 9.30061 15.9796 9.0176 4.935 14.0056 7.1797 7.36779 9.66543 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 7.85849 17.112 9.30061 15.9796 9.0176 4.935 10.9216 4.57832 8.20836 7.21868 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.08299 9.75179 9.30061 11.6261 9.0176 4.935 9.14415 7.1797 7.36779 9.66543 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.08299 9.75179 9.30061 11.6261 9.0176 4.935 9.79337 4.57832 8.20836 7.21868 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.10556 4.86119 4.46777 6.83215 5.92302 5.25982 10.9387 10.1386 6.69515 8.07097 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.10556 4.86119 4.46777 6.83215 5.92302 5.25982 12.3743 10.1432 7.86572 11.5913 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.41708 8.7763 7.46987 6.50911 9.45907 9.40383 16.5746 9.74148 9.56197 16.711 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.41708 8.7763 7.46987 6.50911 9.45907 9.40383 11.8774 7.30024 7.24795 8.73533 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 8.41708 8.7763 7.46987 6.50911 9.45907 9.40383 15.049 11.6919 8.64409 17.684 numMergedOcc 0
19 mol 186 unq 3 iso 0 dist 8.41708 8.7763 7.46987 6.50911 9.45907 9.40383 11.9787 5.3967 7.60202 13.8845 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.67938 8.9748 5.91727 9.16346 9.48625 9.54203 11.0143 5.86489 6.85441 7.9133 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 9.42329 5.35986 6.78579 5.11101 9.68477 6.75621 11.3254 7.67559 7.63018 8.63693 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.05594 13.1808 8.20162 4.36059 7.7086 11.6976 14.1724 7.17211 6.6561 11.8802 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.74022 12.9095 8.2997 11.3961 8.60027 14.9951 9.13226 5.29529 9.56685 12.8334 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.71956 6.63088 7.85414 10.3171 9.26157 14.6871 7.151 6.28695 6.57903 9.57499 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 6.71956 6.63088 7.85414 10.3171 9.26157 14.6871 10.4836 4.39413 9.65707 10.4733 numMergedOcc 0
