0 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 14.2233 8.79272 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.46102 12.3138 7.3915 12.6436 6.32152 5.00267 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 11.2596 6.119 5.55437 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 12.4527 11.2106 9.40479 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.11056 5.36722 6.72502 10.9853 5.97304 9.38831 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 14.5573 12.1157 8.03028 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.5819 7.07175 8.65802 11.0321 7.23437 7.39754 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 11.1443 7.21418 8.71286 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 5.01124 5.74857 11.2871 7.3094 8.71286 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.95871 7.39793 5.74857 14.361 7.3094 8.71286 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.44385 9.79485 7.99857 9.15988 4.99056 8.03035 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 5.63005 9.79485 8.56342 9.15988 3.78311 8.03035 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 5.63005 6.81112 6.37542 9.15988 3.78311 7.6968 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 12.6106 15.7796 7.76594 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.6224 5.62223 8.64368 7.85653 5.11372 5.39314 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 9.6224 5.62223 8.64368 7.5639 4.46582 5.3573 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 10.9428 10.8441 5.73236 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 10.6961 11.0347 9.71408 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.97921 5.5367 6.20182 12.6373 6.69868 8.53374 numMergedOcc 0
19 mol 163 unq 0 iso 0 dist 9.63873 4.9482 8.38738 11.5745 6.94217 7.3546 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 9.93045 6.87725 8.12349 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 5.72444 6.90702 8.93185 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 7.0843 13.9605 8.86175 16.5288 9.46742 9.06334 numMergedOcc 0
23 mol 218 unq 2 iso 0 dist 7.73315 5.77167 5.76954 5.72444 10.4526 8.93185 numMergedOcc 0
24 mol 218 unq 3 iso 0 dist 7.73315 13.9605 6.29511 16.5288 11.438 9.06334 numMergedOcc 0
25 mol 218 unq 4 iso 0 dist 6.9398 5.77167 9.20961 5.72444 8.94041 8.93185 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 9.5822 6.08522 7.42587 9.80232 13.1083 9.84466 numMergedOcc 0
27 mol 237 unq 1 iso 0 dist 9.5822 6.08522 7.42587 6.18606 6.23145 6.16557 numMergedOcc 0
28 mol 237 unq 2 iso 0 dist 9.5822 6.08522 7.42587 10.6667 7.11441 5.4813 numMergedOcc 0
29 mol 251 unq 0 iso 0 dist 7.4878 9.21735 8.01198 11.0437 6.6269 8.53757 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 5.73834 10.6333 9.53063 11.329 7.42673 6.47194 numMergedOcc 0
31 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 8.28871 4.48907 5.74568 numMergedOcc 0
32 mol 264 unq 1 iso 0 dist 6.83408 5.7394 6.42588 8.28871 10.1591 5.74568 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 7.98617 8.97436 9.13907 11.89 12.0308 7.41079 numMergedOcc 0
