0 mol 34 unq 0 iso 0 dist 6.35997 4.38622 7.37118 7.87317 7.58092 6.40741 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.77802 4.31769 8.40186 7.77714 6.38985 6.99001 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.07283 7.16993 9.42099 11.1295 7.84827 9.46554 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.2397 4.31691 6.76315 14.2152 10.9175 9.95327 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.2397 4.31691 6.76315 7.37244 4.97794 7.50825 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.50763 8.77331 8.99536 12.3899 6.84152 8.86612 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.50763 8.77331 8.99536 13.0768 7.1203 6.84747 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 9.50763 8.84883 5.94317 12.9167 4.22761 6.10897 numMergedOcc 0
8 mol 76 unq 3 iso 0 dist 9.50763 8.84883 5.94317 13.0768 7.1203 7.75436 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.15861 4.32784 8.04853 9.72945 10.8177 5.79841 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.92653 6.87756 5.56839 11.7622 4.98735 5.76109 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.92653 5.82092 7.83506 11.7622 4.98735 8.0955 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 8.06631 4.31676 8.65859 5.69775 8.5036 8.18186 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.42277 10.1785 8.98175 13.9633 5.98101 9.86237 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.53591 7.84926 9.62774 8.22039 4.45608 9.80549 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.34503 6.13227 9.62774 10.873 4.45608 9.80549 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 8.94352 15.2735 9.59327 13.6765 6.99467 5.08863 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.2669 4.45301 7.13824 7.9678 10.4274 6.05667 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.2684 6.33919 7.63543 11.9269 8.68515 9.85331 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.4625 13.0927 9.25759 20.6946 13.9634 8.9316 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.4625 13.0927 9.25759 20.6946 13.9634 8.9316 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.4625 13.0927 9.25759 20.6946 13.9634 8.9316 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 4.83062 10.5335 9.01437 13.7129 11.9773 9.7659 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 4.83062 10.5335 9.01437 7.6859 4.45227 6.1268 numMergedOcc 0
24 mol 294 unq 2 iso 0 dist 8.65363 9.08006 9.01437 15.6377 11.9773 9.7659 numMergedOcc 0
25 mol 294 unq 3 iso 0 dist 8.65363 9.08006 9.01437 8.35722 4.45227 6.1268 numMergedOcc 0
