0 mol 24 unq 0 iso 0 dist 8.3964 10.6642 4.90592 10.0962 7.85986 4.21283 12.6611 5.11617 4.93188 8.23075 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.6642 4.90592 10.0962 7.85986 4.21283 18.5238 13.2229 9.24958 10.551 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 10.6642 4.90592 8.56474 4.30252 4.97191 12.6611 5.11617 4.93188 4.7841 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.3964 10.6642 4.90592 8.56474 4.30252 4.97191 18.5238 13.2229 9.24958 14.1707 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.3964 8.81498 9.36461 10.0962 7.85986 15.6099 12.9306 8.52463 6.60423 16.3188 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.3964 8.81498 9.36461 10.0962 7.85986 15.6099 16.6009 14.6654 7.83786 21.9291 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.3964 8.81498 9.36461 8.56474 4.30252 12.5557 12.9306 8.52463 6.60423 12.0986 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.3964 8.81498 9.36461 8.56474 4.30252 12.5557 16.6009 14.6654 7.83786 18.4537 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.98417 12.1122 9.5053 12.6093 9.11311 12.4814 16.0085 10.9837 8.44506 7.98005 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 9.98746 11.2391 7.03307 5.05082 6.53981 10.0772 14.0851 4.55437 7.52117 11.0768 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 6.90443 8.04853 14.1233 17.8488 11.165 8.00777 18.405 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 9.18097 11.155 8.70863 6.90443 8.04853 14.1233 15.5717 9.29301 7.1589 15.4008 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 9.18097 11.155 8.70863 13.1381 6.46549 14.3481 17.8488 11.165 8.00777 14.7287 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 9.18097 11.155 8.70863 13.1381 6.46549 14.3481 15.5717 9.29301 7.1589 12.1279 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.83135 15.3247 8.70863 14.6513 8.04853 14.1233 14.3036 11.165 8.00777 18.405 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.83135 15.3247 8.70863 14.6513 8.04853 14.1233 14.5836 9.29301 7.1589 15.4008 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 8.83135 15.3247 8.70863 9.99421 6.46549 14.3481 14.3036 11.165 8.00777 14.7287 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 8.83135 15.3247 8.70863 9.99421 6.46549 14.3481 14.5836 9.29301 7.1589 12.1279 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 4.65353 9.22418 5.19513 13.2395 13.534 8.65802 11.7686 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 9.31025 7.6506 7.14263 7.86779 5.67088 5.21512 9.89142 4.20425 6.20182 7.93088 numMergedOcc 0
20 mol 162 unq 1 iso 0 dist 9.0087 8.07237 7.14263 5.29862 5.67088 5.21512 10.8794 4.20425 6.20182 7.93088 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.23057 11.501 9.17946 4.51847 6.81516 11.5523 17.993 13.0658 8.44861 17.68 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 4.51847 6.81516 11.5523 17.0692 14.4523 5.60393 16.9049 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 6.23057 11.501 9.17946 13.1148 9.17562 10.2944 17.993 13.0658 8.44861 11.5794 numMergedOcc 0
24 mol 205 unq 3 iso 0 dist 6.23057 11.501 9.17946 13.1148 9.17562 10.2944 17.0692 14.4523 5.60393 13.4668 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.27761 5.68442 6.57921 11.775 9.78273 6.20756 10.8093 4.9377 7.83711 8.25985 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.29788 4.60689 8.15091 12.9301 9.82605 8.4971 8.53729 5.78064 7.77998 11.2301 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 9.29788 4.60689 8.15091 8.8893 9.73723 4.30218 8.53729 5.78064 7.77998 9.7691 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 9.50983 9.18036 8.15091 16.4827 9.82605 8.4971 8.07341 5.78064 7.77998 11.2301 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 9.50983 9.18036 8.15091 13.3075 9.73723 4.30218 8.07341 5.78064 7.77998 9.7691 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 4.01024 8.46115 10.6248 11.1193 6.46616 5.23193 12.0535 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 7.84236 13.26 8.67489 4.4471 8.46115 10.6248 12.9711 6.46616 5.23193 12.0535 numMergedOcc 0
