0 mol 1 unq 0 iso 0 dist 8.93702 11.8064 9.44115 5.99543 8.56884 6.44928 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.93702 4.61559 7.90928 5.99543 8.56884 6.35409 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 7.54726 8.62693 7.89671 8.82012 10.2609 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.97065 7.54726 8.62693 10.1933 9.16962 4.09495 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.40904 5.88138 6.64631 9.02503 8.67367 3.96825 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.47401 5.73392 6.64631 7.94986 8.67367 3.96825 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.9443 13.1946 7.90328 5.82808 9.39469 10.071 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.9443 13.1946 7.90328 10.2548 4.76815 5.89399 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.94447 12.8097 5.44714 12.7099 6.81812 5.19652 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.6785 4.73128 9.78437 9.04668 6.96442 7.6321 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.13287 6.85248 9.43335 5.01665 7.31468 5.69675 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 7.13287 6.85248 9.43335 4.9475 7.7056 10.5005 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 7.13287 10.559 9.9492 5.01665 7.31468 9.79072 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 7.13287 10.559 9.9492 4.9475 7.7056 5.80488 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 9.70106 6.30947 7.50392 7.52846 9.38946 4.94973 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.4422 4.88159 9.19849 12.4033 8.62646 8.66436 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 6.58245 11.5081 8.32685 14.8922 8.99696 10.5326 numMergedOcc 0
17 mol 197 unq 1 iso 0 dist 6.58245 11.8158 6.74777 14.8922 8.99696 5.29309 numMergedOcc 0
18 mol 197 unq 2 iso 0 dist 6.58245 14.0335 9.62514 14.8922 8.99696 4.57437 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 5.66171 4.98567 7.90156 12.0404 7.17547 11.7195 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 5.66171 4.98567 7.90156 7.82717 7.13323 4.67327 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.06804 5.44668 7.77951 7.39364 5.86443 4.53819 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.06804 5.18467 8.82471 7.39364 5.86443 10.9746 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 5.34745 3.73772 7.83363 11.2101 9.43203 12.3957 numMergedOcc 0
24 mol 233 unq 1 iso 0 dist 7.99897 10.5268 7.83363 11.5105 9.43203 12.3957 numMergedOcc 0
25 mol 233 unq 2 iso 0 dist 8.98366 14.0794 7.83363 6.54297 9.43203 12.3957 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 6.43838 13.9461 9.74324 5.06584 5.65339 13.6747 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.89216 4.79969 9.88122 11.0676 6.91569 11.9794 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.07397 16.8 9.46582 14.2669 7.67322 9.23693 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 8.91763 4.74813 9.46582 12.0885 7.67322 9.23693 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 6.62086 4.74813 9.77231 13.6971 9.68513 15.3161 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 6.62086 4.74813 9.77231 7.30165 9.29858 9.18011 numMergedOcc 0
32 mol 238 unq 5 iso 0 dist 6.50118 10.0091 9.77231 11.0996 9.68513 15.3161 numMergedOcc 0
33 mol 238 unq 6 iso 0 dist 6.50118 10.0091 9.77231 5.18833 9.29858 9.18011 numMergedOcc 0
34 mol 247 unq 0 iso 0 dist 6.34304 15.7201 9.76925 8.49616 6.6838 14.6138 numMergedOcc 0
35 mol 247 unq 1 iso 0 dist 6.34304 7.03663 9.6455 8.49616 6.6838 9.44194 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 5.50677 10.8606 8.44015 14.447 9.0012 11.2529 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 8.75957 10.8606 6.21206 14.447 9.5784 11.2529 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.8896 6.59723 8.62431 7.62102 6.50589 4.56913 numMergedOcc 0
