0 mol 0 unq 0 iso 0 dist 6.94181 5.98788 12.6486 5.47921 7.15528 10.5702 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.22151 8.00738 6.11127 4.96681 7.57578 7.92503 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.22122 8.00738 5.30154 4.96681 7.17969 7.92503 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54183 9.57335 4.15717 5.65405 8.10861 10.1454 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.54183 8.60653 5.99981 5.65405 8.10861 7.21717 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.70415 5.67362 13.5488 5.46309 6.65721 9.25641 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 9.70415 5.67362 13.5488 11.9897 6.72123 14.4663 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.2147 9.3727 10.1786 13.5815 7.79912 17.1635 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56728 9.78563 7.48183 11.609 7.47541 14.709 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.56728 9.78563 7.48183 13.5384 7.66905 12.9368 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 6.56728 9.78563 7.48183 5.29763 5.73196 12.3069 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 8.05602 8.31266 15.089 12.0507 5.08437 19.2964 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 8.05602 8.31266 15.089 4.72129 6.48948 12.9907 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 8.05602 8.31266 15.089 12.0339 6.10456 18.9626 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 8.05602 8.51459 13.8849 12.0507 5.08437 18.5104 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 8.05602 8.51459 13.8849 4.72129 6.48948 12.9519 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 8.05602 8.51459 13.8849 12.0339 6.10456 17.1075 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.22596 9.66995 4.86592 5.11615 8.87449 10.8527 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.56324 6.36749 9.75737 15.1093 6.45675 15.8683 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 9.56324 6.36749 9.75737 16.8752 7.47343 16.5404 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 9.56324 6.36749 9.75737 13.0353 8.86688 16.3323 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.46684 5.9575 5.31484 5.14332 6.90986 5.88249 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 8.46684 5.9575 5.31484 5.28643 5.39945 6.97707 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.88255 8.61574 9.89358 10.5726 8.73993 9.23858 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 9.68507 6.40435 6.03934 9.75709 7.66148 7.90267 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.90247 9.99409 8.91338 5.114 9.1374 8.90963 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.90247 9.99409 8.91338 14.0828 8.03334 16.082 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 5.16813 5.77158 5.4141 5.87924 9.70748 7.66165 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 5.16813 5.77158 5.4141 8.61343 7.54065 12.4002 numMergedOcc 0
29 mol 186 unq 2 iso 0 dist 5.16813 5.77158 5.4141 11.0854 8.87694 14.0016 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.21273 7.58118 7.11498 5.1021 9.23153 6.59716 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 6.21273 7.58118 7.11498 6.29601 8.24498 13.1498 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.71761 6.65275 6.48027 5.841 7.55216 5.41321 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 6.83046 9.25097 9.59042 4.77446 6.16342 11.5039 numMergedOcc 0
34 mol 256 unq 0 iso 0 dist 5.98967 9.31961 7.7384 6.64029 8.29103 12.7661 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 6.8902 6.12402 5.24812 12.3593 9.17653 13.6942 numMergedOcc 0
36 mol 280 unq 0 iso 0 dist 8.80588 9.55885 14.1713 8.30978 6.53701 16.4957 numMergedOcc 0
37 mol 280 unq 1 iso 0 dist 8.80588 9.55885 14.1713 5.80223 6.0664 14.3936 numMergedOcc 0
