0 mol 61 unq 0 iso 0 dist 8.46313 9.02073 9.76892 9.10704 14.0716 8.51839 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 8.30291 6.0827 6.8858 8.53924 12.1317 7.49792 numMergedOcc 0
2 mol 62 unq 1 iso 0 dist 8.30291 6.0827 6.8858 4.38006 9.27092 6.58981 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.36475 5.61831 3.69293 4.63832 9.32453 8.63792 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.03274 9.73305 6.10633 10.3096 11.8891 7.81118 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.364 9.98861 4.79453 8.14775 4.75701 6.02596 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 8.364 9.98861 4.79453 14.9764 9.89618 8.17454 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 7.37255 5.52904 4.79453 4.03085 4.75701 6.02596 numMergedOcc 0
8 mol 90 unq 3 iso 0 dist 7.37255 5.52904 4.79453 4.99029 9.89618 8.17454 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.80191 6.38269 6.54263 13.5639 9.57352 9.44 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.80191 7.11196 3.92558 13.5639 9.57352 8.47634 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.41521 8.31527 5.61274 10.7979 8.20009 5.56598 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 9.41521 8.31527 5.61274 6.76794 8.14799 5.39792 numMergedOcc 0
13 mol 120 unq 2 iso 0 dist 9.41521 8.31527 5.61274 5.49859 10.7317 7.00542 numMergedOcc 0
14 mol 120 unq 3 iso 0 dist 9.41521 7.64841 3.35803 6.76794 8.14799 8.44206 numMergedOcc 0
15 mol 120 unq 4 iso 0 dist 9.41521 7.64841 3.35803 5.49859 10.7317 9.78884 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 7.89237 7.04627 7.75915 6.60637 13.9259 9.72421 numMergedOcc 0
17 mol 123 unq 1 iso 0 dist 7.89237 7.04627 7.75915 6.33531 10.8851 8.35926 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.06272 5.5917 10.3933 4.81238 10.3205 8.42277 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 9.06272 5.24806 9.27274 4.81238 10.3205 6.26653 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 4.71754 7.39043 3.57917 4.61842 5.71825 6.23243 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 8.19458 8.35328 15.2258 5.23854 12.9953 7.39884 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 9.45133 8.35328 13.9912 5.23854 14.392 7.39884 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.27188 8.34984 5.85692 5.52102 9.2166 8.58013 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.82685 9.05194 10.4585 14.9602 18.4022 9.05879 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 9.82685 9.05194 10.4585 5.495 9.00498 6.67548 numMergedOcc 0
26 mol 264 unq 2 iso 0 dist 9.82685 9.02526 8.25406 5.495 9.00498 5.57579 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.82941 7.51951 13.1885 4.00824 12.4613 9.2684 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 6.45955 6.82335 6.18981 11.0879 14.0492 8.81999 numMergedOcc 0
29 mol 294 unq 1 iso 0 dist 5.71661 9.14005 6.18981 14.7951 14.0492 8.81999 numMergedOcc 0
30 mol 294 unq 2 iso 0 dist 8.86937 6.82335 7.45368 11.0879 13.3902 8.81999 numMergedOcc 0
31 mol 294 unq 3 iso 0 dist 8.98536 9.14005 7.45368 14.7951 13.3902 8.81999 numMergedOcc 0
