0 mol 25 unq 0 iso 0 dist 9.86224 16.5113 6.85556 14.6002 5.68392 6.03987 18.9617 9.79094 4.51512 7.31767 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 10.042 4.29856 6.83299 18.9593 10.6808 5.08001 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.20373 15.0205 6.14538 10.042 4.29856 6.83299 7.4971 10.4158 14.2075 8.10861 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.67362 5.46309 9.25641 9.70415 13.5488 6.65721 11.9897 14.4663 6.86346 6.72123 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 15.44 7.06961 5.08437 17.3037 9.42961 9.51923 6.48948 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.48678 13.9683 6.7117 15.44 7.06961 5.08437 11.0642 4.47349 8.40073 6.10456 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.48678 11.0642 4.47349 15.44 7.06961 6.10456 13.9683 6.7117 8.40073 5.08437 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 8.48678 11.0642 4.47349 15.44 7.06961 6.10456 17.3037 9.42961 9.42358 6.48948 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.1754 11.0907 7.10378 14.768 10.6848 7.17106 14.0589 14.8081 11.5403 9.60661 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 7.1754 11.0907 7.10378 14.768 10.6848 7.17106 16.4721 15.2289 8.87654 9.35224 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.9575 6.23018 6.92026 9.47822 6.77806 5.11551 5.14332 5.88249 6.5838 7.11972 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 5.9575 5.14332 5.88249 9.47822 6.77806 7.11972 6.23018 6.92026 6.5838 5.11551 numMergedOcc 0
12 mol 115 unq 2 iso 0 dist 5.9575 5.14332 5.88249 8.46684 5.31484 6.90986 5.28643 6.97707 5.67807 5.39945 numMergedOcc 0
13 mol 115 unq 3 iso 0 dist 5.9575 5.28643 6.97707 8.46684 5.31484 5.39945 5.14332 5.88249 5.67807 6.90986 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 5.43662 5.29825 8.70296 12.0117 14.2045 6.85062 15.3291 18.0058 10.7062 8.40312 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 5.43662 5.29825 8.70296 12.0117 14.2045 6.85062 10.7111 12.6227 6.63273 7.12972 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 9.93309 10.4303 9.22232 15.5187 16.0138 7.11802 15.442 12.7901 8.18495 8.00618 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 6.10069 9.92385 9.47433 15.4121 11.9952 7.44554 14.9521 14.7758 5.56175 8.94056 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 6.10069 9.92385 9.47433 15.4121 11.9952 7.44554 13.1632 13.0431 8.38403 9.83699 numMergedOcc 0
19 mol 156 unq 2 iso 0 dist 6.40435 11.0374 9.44367 10.2339 5.4555 7.44554 9.75709 7.90267 5.56175 8.94056 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 6.40435 11.0374 9.44367 10.2339 5.4555 7.44554 7.90642 10.3379 8.38403 9.83699 numMergedOcc 0
21 mol 156 unq 4 iso 0 dist 6.40435 9.75709 7.90267 10.2339 5.4555 8.94056 11.0374 9.44367 5.56175 7.44554 numMergedOcc 0
22 mol 156 unq 5 iso 0 dist 6.40435 9.75709 7.90267 10.2339 5.4555 8.94056 7.90642 10.3379 11.2719 9.83699 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.99409 5.114 8.90963 8.90247 8.91338 9.1374 14.0828 16.082 13.2049 8.03334 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 13.526 18.0578 10.1912 9.09537 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 8.50938 5.32859 6.46704 11.0615 4.43096 8.03334 18.0406 12.4878 13.2049 9.1374 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 5.77158 5.87924 7.66165 5.16813 5.4141 9.70748 8.61343 12.4002 13.8792 7.54065 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 5.77158 5.87924 7.66165 5.16813 5.4141 9.70748 11.0854 14.0016 14.9058 8.87694 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 6.62013 7.24163 7.32294 11.513 5.86489 8.51516 14.8962 11.5776 10.8344 7.10633 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 7.58118 5.1021 6.59716 6.21273 7.11498 9.23153 6.29601 13.1498 10.5449 8.24498 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 12.9898 10.9607 7.22101 7.74349 9.74265 4.39704 7.09863 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 9.90065 9.69354 7.43071 13.7795 6.35849 7.22101 7.00512 6.02296 4.39704 7.09863 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 9.90065 7.00512 6.02296 13.7795 6.35849 7.09863 9.69354 7.43071 4.39704 7.22101 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 8.16005 6.69098 8.49177 13.6003 9.25493 9.01049 13.5902 12.8175 7.03728 6.92774 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 8.16005 6.69098 8.49177 13.6003 9.25493 9.01049 11.0449 12.7219 8.05475 9.2983 numMergedOcc 0
