0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 15.262 11.8172 6.02702 20.438 16.4405 8.60435 6.58469 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 10.4489 8.53529 16.9088 12.4076 7.03958 14.2233 8.79272 7.27018 5.7531 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.46102 10.4489 8.53529 9.91301 8.4069 7.18019 14.2233 8.79272 7.27018 7.17012 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 7.46102 10.4489 8.53529 15.6504 12.9016 8.44009 14.2233 8.79272 7.27018 6.31881 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 9.91301 10.4489 7.18019 16.9088 10.9495 7.03958 14.2233 7.17012 7.27018 5.7531 numMergedOcc 0
5 mol 8 unq 4 iso 0 dist 9.91301 10.4489 7.18019 7.46102 8.4069 8.53529 14.2233 7.17012 7.27018 8.79272 numMergedOcc 0
6 mol 8 unq 5 iso 0 dist 9.91301 10.4489 7.18019 15.6504 6.23795 8.44009 14.2233 7.17012 7.27018 6.31881 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 13.5235 6.14147 6.55811 8.77074 9.87669 6.59455 11.4245 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 8.46229 9.93406 7.32257 17.0546 10.5747 8.64915 8.77074 9.87669 6.59455 14.7278 numMergedOcc 0
9 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.501 15.5315 7.29868 8.70141 4.33963 4.90592 12.0003 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 18.501 15.5315 7.29868 17.537 17.4067 9.36461 6.00575 numMergedOcc 0
11 mol 24 unq 2 iso 0 dist 9.54519 12.1061 8.4051 12.511 14.6259 8.60554 8.70141 4.33963 4.90592 11.2106 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.54519 12.1061 8.4051 12.511 14.6259 8.60554 17.537 17.4067 9.36461 5.97304 numMergedOcc 0
13 mol 24 unq 4 iso 0 dist 9.54519 6.81998 8.75662 12.511 14.6259 9.44691 8.70141 4.33963 8.16324 11.2106 numMergedOcc 0
14 mol 24 unq 5 iso 0 dist 6.11056 11.095 8.60554 14.2881 14.6259 8.4051 12.4527 11.2106 4.90592 4.33963 numMergedOcc 0
15 mol 24 unq 6 iso 0 dist 6.11056 11.095 8.60554 14.2881 14.6259 8.4051 10.9853 5.97304 9.36461 17.4067 numMergedOcc 0
16 mol 24 unq 7 iso 0 dist 6.11056 11.095 8.60554 14.4535 10.0952 7.29868 12.4527 11.2106 4.90592 12.0003 numMergedOcc 0
17 mol 24 unq 8 iso 0 dist 6.11056 11.095 8.60554 14.4535 10.0952 7.29868 10.9853 5.97304 9.36461 6.00575 numMergedOcc 0
18 mol 24 unq 9 iso 0 dist 6.11056 6.66757 9.44691 14.2881 14.6259 8.75662 12.4527 11.2106 8.16324 4.33963 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 7.01176 5.04493 6.97962 8.95651 5.69731 9.05259 4.14907 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 11.7125 9.35561 9.95342 8.95651 5.69731 9.05259 11.0506 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 7.01176 4.1125 6.97962 8.4545 5.04493 5.9465 8.95651 4.14907 9.05259 5.69731 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 11.7125 12.7769 9.95342 8.95651 4.14907 9.05259 11.0506 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.44385 4.01593 9.11344 5.63005 4.85907 6.52773 9.15988 4.99056 8.8562 3.78311 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 5.63005 4.01593 6.52773 8.44385 4.85907 9.11344 9.15988 3.78311 8.8562 4.99056 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.29752 6.56633 9.40808 10.1474 5.8023 6.57921 8.25884 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 7.70279 6.56633 8.50102 10.1474 8.25884 6.57921 5.8023 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 8.56463 5.32535 6.99315 14.3699 14.5975 9.60163 10.2654 6.01573 6.11495 9.59927 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 8.56463 5.32535 6.99315 14.3699 14.5975 9.60163 12.7106 15.2418 9.36216 5.12181 numMergedOcc 0
29 mol 237 unq 2 iso 0 dist 8.56463 5.32535 6.99315 14.3699 14.5975 9.60163 9.81026 15.1884 8.72819 9.52569 numMergedOcc 0
30 mol 237 unq 3 iso 0 dist 9.42743 11.5107 6.99315 14.0442 14.5975 9.60163 9.80232 6.01573 6.11495 9.59927 numMergedOcc 0
31 mol 237 unq 4 iso 0 dist 9.42743 11.5107 6.99315 14.0442 14.5975 9.60163 17.4986 15.2418 9.36216 5.12181 numMergedOcc 0
32 mol 237 unq 5 iso 0 dist 9.42743 11.5107 6.99315 14.0442 14.5975 9.60163 19.313 15.1884 8.72819 9.52569 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 6.86162 3.87679 7.49645 10.0226 5.37618 9.9222 10.996 11.3773 7.44706 13.3907 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 10.0379 10.501 7.46394 7.71972 8.09454 7.79704 13.7877 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 10.0379 10.501 7.46394 9.76049 14.1363 9.39276 16.6011 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 6.55855 6.70266 9.45514 12.5213 11.7196 8.91672 7.71972 8.09454 7.79704 6.23174 numMergedOcc 0
37 mol 274 unq 3 iso 0 dist 6.55855 6.70266 9.45514 12.5213 11.7196 8.91672 9.76049 14.1363 9.39276 10.9037 numMergedOcc 0
38 mol 274 unq 4 iso 0 dist 6.55855 6.70266 9.45514 9.52894 6.828 7.1729 7.71972 8.09454 7.79704 10.0424 numMergedOcc 0
39 mol 274 unq 5 iso 0 dist 6.55855 6.70266 9.45514 9.52894 6.828 7.1729 9.76049 14.1363 9.39276 15.375 numMergedOcc 0
40 mol 274 unq 6 iso 0 dist 6.55855 5.15747 6.39866 12.6706 11.3308 8.52587 10.0577 10.4342 8.2997 5.90436 numMergedOcc 0
41 mol 274 unq 7 iso 0 dist 9.52894 6.70266 7.1729 10.0379 6.15918 7.46394 7.71972 10.0424 7.79704 13.7877 numMergedOcc 0
42 mol 274 unq 8 iso 0 dist 9.52894 6.70266 7.1729 10.0379 6.15918 7.46394 9.76049 15.375 9.39276 16.6011 numMergedOcc 0
43 mol 274 unq 9 iso 0 dist 9.52894 6.70266 7.1729 6.55855 6.828 9.45514 7.71972 10.0424 7.79704 8.09454 numMergedOcc 0
44 mol 274 unq 10 iso 0 dist 9.52894 6.70266 7.1729 6.55855 6.828 9.45514 9.76049 15.375 9.39276 14.1363 numMergedOcc 0
45 mol 274 unq 11 iso 0 dist 9.52894 6.70266 7.1729 12.5213 10.0083 8.91672 7.71972 10.0424 7.79704 6.23174 numMergedOcc 0
46 mol 274 unq 12 iso 0 dist 9.52894 6.70266 7.1729 12.5213 10.0083 8.91672 9.76049 15.375 9.39276 10.9037 numMergedOcc 0
47 mol 274 unq 13 iso 0 dist 9.71801 4.36131 8.52587 9.7198 11.3308 6.39866 7.65671 5.90436 8.2997 10.4342 numMergedOcc 0
