0 mol 62 unq 0 iso 0 dist 4.85282 6.02731 7.46975 8.98132 8.67162 11.4928 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 4.85282 6.02731 7.46975 8.5169 8.79114 12.9142 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 7.62028 8.70783 6.59475 5.43428 5.83149 5.94206 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 7.62028 9.20162 13.4516 5.43428 5.83149 12.0698 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 9.19964 9.4508 4.01708 9.72029 8.65898 10.8112 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 8.72097 8.70783 12.9305 6.67382 8.65898 13.0096 numMergedOcc 0
6 mol 65 unq 4 iso 0 dist 8.72097 9.20162 4.01708 6.67382 8.65898 10.8112 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.84583 9.66226 9.51607 7.65932 5.94696 7.36769 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.8456 7.27601 3.88006 4.95654 7.48533 8.42878 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.34149 8.21272 5.21047 5.30646 5.56565 6.84835 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.34149 8.21272 5.21047 5.87062 6.16862 9.98436 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.63279 8.21272 5.73901 5.87062 9.70325 9.98436 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.94007 5.53183 7.38323 14.4222 9.41073 15.7997 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 5.70195 6.80086 10.3989 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 8.30819 6.08141 4.98945 9.77016 6.80086 10.3989 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.65601 8.66298 11.297 8.77427 9.54753 16.7552 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 8.65601 8.66298 11.297 11.7122 8.79411 17.2715 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.15743 8.70651 6.36084 14.8728 9.41148 9.78181 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 8.15743 8.70651 6.36084 4.03628 7.83422 9.8664 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.79012 7.23618 7.55193 5.72956 5.68717 9.32954 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 6.84909 5.54272 6.08322 10.6051 6.68863 12.3229 numMergedOcc 0
