0 mol 79 unq 0 iso 0 dist 7.18358 6.06978 7.58743 7.10351 6.32618 5.70907 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 6.91361 3.92844 6.83746 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 4.3761 4.54306 5.33961 12.1204 8.99706 9.14707 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 6.31509 12.8104 8.3505 13.6766 8.89866 8.75597 numMergedOcc 0
4 mol 98 unq 3 iso 0 dist 6.31509 12.8104 8.3505 18.0697 15.0551 9.18457 numMergedOcc 0
5 mol 98 unq 4 iso 0 dist 5.84583 4.54306 5.08983 6.91361 10.8121 6.83746 numMergedOcc 0
6 mol 98 unq 5 iso 0 dist 5.84583 4.54306 5.08983 12.1204 13.8773 9.14707 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.08733 4.85157 5.90003 14.4475 10.4469 9.6121 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 4.90449 5.74561 5.90003 13.2368 10.4469 9.6121 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.22824 4.78701 8.78303 5.10248 4.02705 5.11043 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 7.7195 4.91613 6.51523 11.6226 14.0377 8.999 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 8.30819 4.61696 6.51523 5.94881 14.0377 8.999 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.39622 8.53889 6.52441 13.9941 9.07895 8.31881 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 7.67675 4.71123 5.03184 9.94185 6.8255 5.50658 numMergedOcc 0
14 mol 212 unq 1 iso 0 dist 7.67675 4.71123 5.03184 6.99065 9.6542 9.10095 numMergedOcc 0
15 mol 212 unq 2 iso 0 dist 7.67675 4.71123 5.03184 5.90507 8.90296 9.22129 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.11262 4.57447 7.25438 10.0987 4.61903 8.69811 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 7.11262 4.57447 7.25438 9.47266 9.67929 4.98402 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 6.97966 3.86571 8.98005 7.03084 4.97784 7.07833 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.45786 8.57494 7.63381 10.8917 9.43815 8.88763 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 7.45786 8.57494 7.63381 13.3966 9.79222 6.43209 numMergedOcc 0
21 mol 239 unq 2 iso 0 dist 7.45786 8.57494 7.63381 16.6701 15.2256 8.48769 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 5.03174 4.66338 7.19658 8.43465 6.63115 6.02757 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 7.22743 10.3972 7.19658 13.1655 6.63115 6.02757 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.40448 11.9684 8.41945 9.73584 4.49604 5.8304 numMergedOcc 0
