0 mol 7 unq 0 iso 0 dist 6.36911 9.68596 13.0969 9.0379 13.2603 6.7985 5.03847 9.97624 6.14469 8.43473 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.87449 8.64915 10.9409 10.5747 17.2884 7.32257 4.98827 11.621 7.35972 8.50424 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.87449 8.64915 10.9409 5.06358 12.9221 6.55811 4.98827 11.621 7.35972 6.02809 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 9.87449 8.17347 8.50857 5.06358 12.9221 7.36018 4.98827 11.621 9.93542 6.02809 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 9.29358 5.89412 6.19131 11.0528 10.2062 7.07399 9.75966 6.50647 6.03257 4.39605 numMergedOcc 0
5 mol 15 unq 1 iso 0 dist 8.21493 7.07399 6.33828 11.0528 10.6943 5.89412 4.39605 10.0974 6.03257 9.75966 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.78293 7.75618 6.2337 7.67038 13.4721 8.40416 4.97119 13.1234 9.95212 4.64838 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 8.23643 7.75618 14.4867 7.67038 14.6255 8.40416 4.97119 11.3136 9.95212 4.64838 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 6.20943 8.40416 11.4087 7.67038 7.82528 7.75618 4.64838 5.82366 9.95212 4.97119 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 7.82528 7.75618 11.4087 7.67038 6.20943 8.40416 4.97119 5.82366 9.95212 4.64838 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.58657 6.41423 5.90856 5.80928 9.58539 6.41575 7.08342 7.02548 9.95212 9.74255 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 9.75144 7.29868 13.719 15.5315 20.8959 8.4051 6.66749 13.2857 6.72323 12.176 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 9.75144 7.29868 13.719 10.0952 12.4274 8.60554 6.66749 13.2857 6.72323 14.012 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 8.82012 6.46104 4.98603 7.96502 10.9838 7.36856 7.23703 11.8125 6.93197 5.81765 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 6.58204 7.01812 10.0891 5.88134 7.75343 8.30845 10.6848 11.9163 9.5057 15.3454 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.75343 8.30845 10.0891 5.88134 6.58204 7.01812 15.3454 11.9163 9.5057 10.6848 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.6355 7.80532 14.1488 5.79898 12.0514 5.83771 5.71679 8.73604 6.40575 4.60632 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 9.36805 9.44367 10.143 5.56175 13.1853 7.90267 5.71511 10.735 8.37434 6.13574 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.20046 7.99195 4.69841 8.88798 10.2276 6.2479 12.2164 11.913 7.32087 4.43096 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 7.20046 7.99195 4.69841 8.88798 10.2276 6.2479 5.77299 10.0659 8.86197 8.04639 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 7.20046 7.99195 4.69841 12.6324 10.3493 6.22122 12.2164 11.913 7.32087 6.06566 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 7.20046 7.99195 4.69841 12.6324 10.3493 6.22122 5.77299 10.0659 8.86197 13.0409 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.13543 7.99195 7.23063 8.88798 10.7636 6.2479 12.2164 11.5642 7.32087 4.43096 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 7.13543 7.99195 7.23063 8.88798 10.7636 6.2479 5.77299 6.32777 8.86197 8.04639 numMergedOcc 0
24 mol 181 unq 6 iso 0 dist 7.13543 7.99195 7.23063 12.6324 13.1996 6.22122 12.2164 11.5642 7.32087 6.06566 numMergedOcc 0
25 mol 181 unq 7 iso 0 dist 7.13543 7.99195 7.23063 12.6324 13.1996 6.22122 5.77299 6.32777 8.86197 13.0409 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 7.07392 8.50102 10.9886 6.56633 11.5589 9.40808 6.2188 7.10413 9.78181 12.5452 numMergedOcc 0
27 mol 232 unq 1 iso 0 dist 7.07392 8.50102 10.9886 6.56633 11.5589 9.40808 12.3508 12.9353 9.8664 8.80479 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 5.65339 6.21292 7.96337 8.31875 10.4621 6.36341 7.77516 6.54825 6.94789 5.5163 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 5.65339 6.21292 7.96337 4.53064 9.96742 9.21736 7.77516 6.54825 6.94789 11.7254 numMergedOcc 0
30 mol 235 unq 2 iso 0 dist 9.43058 9.21736 17.5445 10.5547 19.8728 6.36341 11.7254 19.8998 6.94789 5.5163 numMergedOcc 0
31 mol 235 unq 3 iso 0 dist 9.43058 9.21736 17.5445 4.53064 12.3562 6.21292 11.7254 19.8998 6.94789 7.77516 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.05141 8.94014 11.5793 5.6348 8.09066 7.02333 5.50308 6.73446 5.92374 7.11984 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.05141 8.94014 11.5793 8.87326 7.2766 8.67864 5.50308 6.73446 5.92374 7.95232 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.14172 7.02333 4.38002 5.6348 10.6978 8.94014 7.11984 6.62002 5.92374 5.50308 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 8.14172 7.02333 4.38002 5.31152 6.77463 8.67864 7.11984 6.62002 5.92374 7.95232 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 8.09066 7.02333 11.5793 5.6348 6.05141 8.94014 7.11984 6.73446 5.92374 5.50308 numMergedOcc 0
37 mol 238 unq 5 iso 0 dist 8.09066 7.02333 11.5793 5.31152 7.2766 8.67864 7.11984 6.73446 5.92374 7.95232 numMergedOcc 0
38 mol 238 unq 6 iso 0 dist 6.77463 8.67864 4.38002 8.87326 10.6978 8.94014 7.95232 6.62002 5.92374 5.50308 numMergedOcc 0
39 mol 238 unq 7 iso 0 dist 6.77463 8.67864 4.38002 5.31152 8.14172 7.02333 7.95232 6.62002 5.92374 7.11984 numMergedOcc 0
40 mol 238 unq 8 iso 0 dist 7.2766 8.67864 11.5793 8.87326 6.05141 8.94014 7.95232 6.73446 5.92374 5.50308 numMergedOcc 0
41 mol 238 unq 9 iso 0 dist 7.2766 8.67864 11.5793 5.31152 8.09066 7.02333 7.95232 6.73446 5.92374 7.11984 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 8.83735 5.48118 10.639 5.3927 13.5805 7.25858 9.0676 16.1595 5.9627 6.56117 numMergedOcc 0
43 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 10.501 14.4703 7.46394 6.52035 14.1967 7.75216 11.1602 numMergedOcc 0
44 mol 274 unq 1 iso 0 dist 9.19234 9.45514 12.625 11.7196 17.725 8.91672 6.52035 14.1967 7.75216 5.58338 numMergedOcc 0
45 mol 274 unq 2 iso 0 dist 9.19234 9.45514 12.625 6.828 14.3124 7.1729 6.52035 14.1967 7.75216 5.71192 numMergedOcc 0
46 mol 274 unq 3 iso 0 dist 9.19234 6.39866 4.60275 11.3308 12.5979 8.52587 6.16703 11.4246 6.88827 6.20558 numMergedOcc 0
47 mol 274 unq 4 iso 0 dist 9.19234 6.39866 4.60275 11.3308 12.5979 8.52587 5.64601 9.20749 9.16942 16.3619 numMergedOcc 0
