0 mol 1 unq 0 iso 0 dist 6.41817 7.42008 9.76602 7.94217 6.26921 7.35566 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.52676 6.03595 9.45566 12.8173 5.81645 9.70501 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.0478 8.88887 4.38047 10.8539 9.20373 12.1383 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.39827 7.90807 6.94677 9.60458 5.67362 5.78327 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.3797 6.55798 7.07989 4.39946 8.67118 7.11791 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.3797 6.24521 9.77272 4.39946 8.67118 10.2318 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 7.14572 8.08057 6.49521 6.29002 9.48373 9.16965 numMergedOcc 0
7 mol 74 unq 1 iso 0 dist 7.14572 8.08057 6.49521 11.2415 5.65212 5.19847 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.25276 5.37389 7.75211 13.6156 9.61367 13.4991 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.43804 6.39965 5.94696 10.991 8.48678 4.67787 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.22984 14.6602 9.16592 5.65432 6.36749 10.4955 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.6157 10.6262 9.16592 6.03516 6.36749 10.4955 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.37771 6.15808 9.16592 7.70606 6.36749 10.4955 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.20651 16.0868 7.04477 5.27976 6.82883 12.8829 numMergedOcc 0
14 mol 226 unq 1 iso 0 dist 9.20651 16.0868 7.04477 4.67471 8.22518 14.6433 numMergedOcc 0
15 mol 226 unq 2 iso 0 dist 9.20651 16.0868 7.04477 13.1475 6.02803 7.06868 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.73605 3.93809 6.09838 7.32143 7.80589 8.03442 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 5.62568 7.85119 8.42076 4.64631 8.53802 9.43796 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 8.82948 13.9294 8.42076 16.9403 8.53802 9.43796 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 5.62568 7.85119 8.42076 4.64631 8.53802 9.43796 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 8.82948 13.9294 8.42076 16.9403 8.53802 9.43796 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 5.62568 7.85119 8.42076 4.64631 8.53802 9.43796 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 8.82948 13.9294 8.42076 16.9403 8.53802 9.43796 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 5.67671 6.32057 6.68863 6.74502 9.55425 4.41308 numMergedOcc 0
