0 mol 0 unq 0 iso 0 dist 6.99269 7.58664 10.5071 11.9606 6.91778 16.8728 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.99855 7.84098 5.101 5.17347 9.53378 10.6216 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.17351 8.92441 13.1482 10.8854 8.08618 17.019 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 6.17316 8.77105 9.87642 4.09069 5.65974 10.4479 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.92708 6.26262 7.1752 6.32568 7.01812 10.6086 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 7.92708 5.1385 5.88134 6.32568 7.01812 8.30845 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.1385 7.92708 5.88134 6.32568 8.30845 7.01812 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.1385 7.92708 5.88134 13.341 8.76378 10.0635 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 5.1385 6.26262 5.33144 6.32568 8.30845 10.6086 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 5.1385 6.26262 5.33144 13.341 8.76378 13.2102 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.40136 7.58993 10.7337 4.351 7.02927 10.2642 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 8.40136 7.58993 10.7337 9.98299 6.60933 13.0672 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.46144 9.66471 5.59517 5.28631 6.84011 10.0237 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 8.34279 8.08241 10.4345 9.65554 7.70232 15.9991 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 8.34279 8.08241 10.4345 12.5317 7.4671 17.4338 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.82508 7.30166 6.63273 13.1547 8.70296 12.6227 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 9.82508 7.30166 6.63273 9.05974 9.25558 11.586 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 5.60695 5.25762 10.2747 4.24832 6.70531 6.86319 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 5.25762 5.60695 10.2747 4.24832 6.86319 6.70531 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.44476 5.33408 5.45334 15.792 7.37798 11.8877 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 8.44476 5.33408 5.45334 7.66404 7.73322 8.14332 numMergedOcc 0
21 mol 213 unq 2 iso 0 dist 5.33408 8.44476 5.45334 7.66404 8.14332 7.73322 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 6.34391 7.70206 10.501 5.40393 7.46394 9.45514 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 6.34391 7.85517 6.15918 5.40393 7.46394 7.1729 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 7.70206 6.34391 10.501 5.40393 9.45514 7.46394 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 7.70206 6.34391 10.501 6.04926 6.39866 10.672 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 7.70206 7.85517 6.828 5.40393 9.45514 7.1729 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 7.70206 7.85517 6.828 6.04926 6.39866 10.6913 numMergedOcc 0
28 mol 274 unq 6 iso 0 dist 7.85517 6.34391 6.15918 5.40393 7.1729 7.46394 numMergedOcc 0
29 mol 274 unq 7 iso 0 dist 7.85517 7.70206 6.828 5.40393 7.1729 9.45514 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 8.30524 6.20261 10.3106 12.6199 7.83341 16.7493 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 6.20261 8.30524 10.3106 5.83759 8.87028 10.0775 numMergedOcc 0
