0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 20.438 16.4405 8.60435 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 10.4489 8.53529 14.2233 8.79272 7.27018 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 9.91301 10.4489 7.18019 14.2233 7.17012 7.27018 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 8.77074 9.87669 6.59455 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 8.70141 4.33963 4.90592 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 17.537 17.4067 9.36461 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.54519 6.81998 8.75662 8.70141 4.33963 8.16324 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 12.4527 11.2106 4.90592 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.11056 11.095 8.60554 10.9853 5.97304 9.36461 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.11056 6.66757 9.44691 12.4527 11.2106 8.16324 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 8.95651 5.69731 9.05259 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.01176 4.1125 6.97962 8.95651 4.14907 9.05259 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 7.5819 4.00923 7.52354 11.0321 7.23437 8.29345 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 6.1835 5.75886 7.12072 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.44385 4.01593 9.11344 9.15988 4.99056 8.8562 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 5.63005 4.01593 6.52773 9.15988 3.78311 8.8562 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 5.63005 13.1254 9.23858 9.15988 3.78311 7.91683 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 9.73318 8.11992 9.98397 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 6.38163 7.03404 6.28565 11.14 6.67948 9.94578 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 6.31125 11.127 9.90168 10.1423 5.89022 5.56627 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.31125 11.127 9.90168 10.5132 9.32969 8.50562 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 7.81337 4.34786 8.70296 7.27702 7.73656 6.48674 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 7.68295 5.487 8.1536 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 10.1474 5.8023 6.57921 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 10.1474 8.25884 6.57921 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 8.56463 5.32535 6.99315 10.2654 6.01573 6.11495 numMergedOcc 0
26 mol 237 unq 1 iso 0 dist 8.56463 5.32535 6.99315 12.7106 15.2418 9.36216 numMergedOcc 0
27 mol 237 unq 2 iso 0 dist 8.56463 5.32535 6.99315 9.81026 15.1884 8.72819 numMergedOcc 0
28 mol 237 unq 3 iso 0 dist 9.42743 11.5107 6.99315 9.80232 6.01573 6.11495 numMergedOcc 0
29 mol 237 unq 4 iso 0 dist 9.42743 11.5107 6.99315 17.4986 15.2418 9.36216 numMergedOcc 0
30 mol 237 unq 5 iso 0 dist 9.42743 11.5107 6.99315 19.313 15.1884 8.72819 numMergedOcc 0
31 mol 243 unq 0 iso 0 dist 6.86162 3.87679 7.49645 10.996 11.3773 7.44706 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 7.04833 10.7881 6.71375 14.4106 7.4402 8.85062 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 7.71972 8.09454 7.79704 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 6.55855 6.70266 9.45514 9.76049 14.1363 9.39276 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 6.55855 5.15747 6.39866 10.0577 10.4342 8.2997 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 9.52894 6.70266 7.1729 7.71972 10.0424 7.79704 numMergedOcc 0
37 mol 274 unq 4 iso 0 dist 9.52894 6.70266 7.1729 9.76049 15.375 9.39276 numMergedOcc 0
38 mol 274 unq 5 iso 0 dist 9.71801 4.36131 8.52587 7.65671 5.90436 8.2997 numMergedOcc 0
