0 mol 20 unq 0 iso 0 dist 9.81561 9.37411 8.92942 9.00405 9.38691 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.88078 9.37411 11.253 9.00405 8.65986 7.47395 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.88078 9.37411 11.253 7.86889 9.39462 9.78752 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.53599 9.37411 12.4229 9.00405 9.74724 7.47395 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 7.53599 9.37411 12.4229 7.86889 9.13347 9.78752 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.12382 8.36009 6.22202 12.1601 9.0017 8.26091 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.94809 4.9983 10.6352 10.2302 8.32093 12.4458 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.20807 9.39407 5.08555 6.19508 9.36638 10.9714 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.76075 9.83758 12.2767 6.87591 7.24101 9.34782 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 6.21509 8.0889 3.47821 8.14689 9.43682 7.84207 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 6.21509 8.0889 3.47821 5.74365 8.0564 8.56947 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.71292 7.37255 10.9272 10.6578 9.56702 13.9538 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 8.10339 7.57834 7.5396 6.11814 7.09397 11.5097 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 8.10339 7.57834 7.5396 7.43463 6.56151 10.1092 numMergedOcc 0
14 mol 254 unq 2 iso 0 dist 8.10339 7.57834 7.5396 9.17605 8.3417 12.7371 numMergedOcc 0
15 mol 254 unq 3 iso 0 dist 8.81893 8.9475 9.85273 9.26315 7.09397 15.2074 numMergedOcc 0
16 mol 254 unq 4 iso 0 dist 8.81893 8.9475 9.85273 11.49 6.56151 13.8706 numMergedOcc 0
17 mol 254 unq 5 iso 0 dist 8.81893 8.9475 9.85273 13.615 8.3417 16.4566 numMergedOcc 0
18 mol 254 unq 6 iso 0 dist 8.81893 8.26189 10.1133 9.26315 7.09397 14.6471 numMergedOcc 0
19 mol 254 unq 7 iso 0 dist 8.81893 8.26189 10.1133 11.49 6.56151 12.5553 numMergedOcc 0
20 mol 254 unq 8 iso 0 dist 8.81893 8.26189 10.1133 13.615 8.3417 15.2291 numMergedOcc 0
21 mol 254 unq 9 iso 0 dist 8.81893 5.75348 7.5396 9.26315 7.09397 11.5097 numMergedOcc 0
22 mol 254 unq 10 iso 0 dist 8.81893 5.75348 7.5396 11.49 6.56151 10.1092 numMergedOcc 0
23 mol 254 unq 11 iso 0 dist 8.81893 5.75348 7.5396 13.615 8.3417 12.7371 numMergedOcc 0
24 mol 254 unq 12 iso 0 dist 8.59635 7.57834 5.90756 7.43463 6.58752 10.1092 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.00616 8.55479 16.5658 13.7748 7.8647 22.299 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 8.19788 8.93961 4.41063 10.3541 6.85081 10.9239 numMergedOcc 0
27 mol 270 unq 1 iso 0 dist 8.19788 7.96508 15.6327 10.3541 6.85081 18.0177 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 7.12198 5.80835 3.98487 6.75244 9.66129 10.9646 numMergedOcc 0
