0 mol 24 unq 0 iso 0 dist 7.84552 8.3964 3.4435 10.0962 7.18124 7.85986 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.84552 8.3964 3.4435 8.56474 6.47026 4.30252 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.69374 6.8073 13.2875 10.7407 18.4389 8.12997 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.69374 6.8073 13.2875 10.8995 18.5108 6.13153 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.69374 6.8073 13.2875 10.5685 17.0463 5.7836 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.69374 6.8073 13.2875 5.44298 13.9758 7.32996 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.69374 6.8073 13.2875 4.92775 13.0418 5.89173 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.69374 5.60663 9.44799 11.8742 16.5347 8.56365 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 8.69374 5.60663 9.44799 5.44298 13.9758 7.47783 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 8.69374 5.60663 9.44799 9.10301 15.0193 8.74151 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 8.69374 5.60663 9.44799 7.24268 14.4217 8.69662 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.96872 8.83135 6.64001 14.6513 14.0549 8.04853 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.96872 8.83135 6.64001 9.99421 8.87977 6.46549 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 9.00799 6.93893 11.0296 12.7678 10.6103 9.97813 numMergedOcc 0
14 mol 91 unq 1 iso 0 dist 6.29207 6.93893 6.59567 12.7678 16.0165 9.97813 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.70907 7.13064 5.39918 9.6722 6.9447 5.56839 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.70907 7.8962 9.73503 9.6722 6.9447 7.83506 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.07685 8.07946 6.03833 5.34159 9.56702 7.20362 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 7.98503 9.31025 11.5377 7.86779 13.5362 5.67088 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 7.80955 9.31025 8.06906 7.86779 9.67872 5.67088 numMergedOcc 0
20 mol 162 unq 2 iso 0 dist 7.93307 9.31025 15.1574 7.86779 15.0377 5.67088 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 5.67457 4.88303 4.53585 7.551 12.5597 9.62748 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 5.67457 4.88303 4.53585 4.75805 6.03495 5.12964 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 9.44266 8.28295 7.34963 7.8747 14.3342 8.78623 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.49617 6.23057 3.5693 4.51847 9.77655 6.81516 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 9.49617 6.23057 3.5693 13.1148 8.42716 9.17562 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 9.15508 5.63477 9.6084 3.50159 8.42716 5.59832 numMergedOcc 0
27 mol 205 unq 3 iso 0 dist 8.54088 5.63477 8.16279 3.50159 5.69652 5.59832 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.7033 8.51736 3.63667 6.4179 5.3772 8.31526 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 7.7033 8.51736 3.63667 11.4354 7.59138 7.08328 numMergedOcc 0
