0 mol 37 unq 0 iso 0 dist 9.70445 15.6099 9.64602 14.7793 5.41668 7.17699 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 7.95922 6.73466 7.54441 11.5957 5.92759 8.43814 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 7.95922 8.58221 9.84326 11.5957 5.92759 8.16689 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 9.0802 6.54671 8.75343 11.783 6.75338 8.52615 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.1517 8.65083 7.61402 16.2755 13.4742 8.13782 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 8.6659 4.54208 8.86001 11.1772 11.6733 6.6925 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 8.6659 4.54208 8.86001 9.74768 7.52543 7.12746 numMergedOcc 0
7 mol 99 unq 2 iso 0 dist 8.4731 4.54208 9.36749 11.1772 12.7528 6.6925 numMergedOcc 0
8 mol 99 unq 3 iso 0 dist 8.4731 4.54208 9.36749 9.74768 6.93979 7.12746 numMergedOcc 0
9 mol 105 unq 0 iso 0 dist 5.36878 4.39332 6.13301 9.79476 7.9126 6.52726 numMergedOcc 0
10 mol 105 unq 1 iso 0 dist 5.36878 4.39332 6.13301 9.19038 5.68682 9.12363 numMergedOcc 0
11 mol 105 unq 2 iso 0 dist 5.36878 4.39332 6.13301 5.74995 6.12741 6.50017 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.56066 7.99224 8.90311 11.5797 12.9601 9.49413 numMergedOcc 0
13 mol 135 unq 0 iso 0 dist 8.8459 4.47092 7.38478 12.0999 4.51614 9.1005 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 8.6371 11.324 6.29125 13.2552 5.35291 5.63811 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.81978 11.0605 9.15536 13.2601 10.9709 4.79852 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 7.13192 9.03624 9.42057 7.03719 6.8779 6.33838 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.82428 7.28957 9.347 12.6618 9.23019 6.17451 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 9.85256 6.19462 9.10967 11.2224 7.1782 7.25543 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.96325 10.6494 9.11168 8.20751 5.70545 7.16259 numMergedOcc 0
