0 mol 98 unq 0 iso 0 dist 4.3761 7.40481 6.38409 4.54306 5.33961 10.3313 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 5.84583 7.40481 12.4885 4.54306 5.08983 10.3313 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 7.56833 8.32304 11.4305 7.08715 9.10434 13.3729 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.22824 7.0128 9.69206 4.78701 8.78303 11.603 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 7.7195 7.38306 14.8177 4.91613 6.51523 11.3297 numMergedOcc 0
5 mol 192 unq 0 iso 0 dist 9.02212 9.96128 5.41356 4.53842 8.8637 7.75405 numMergedOcc 0
6 mol 192 unq 1 iso 0 dist 9.02212 6.69338 4.87986 4.53842 8.8637 7.49971 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 8.05227 9.92707 12.2056 4.26432 6.0033 12.1371 numMergedOcc 0
8 mol 197 unq 1 iso 0 dist 8.05227 6.22734 10.3089 4.26432 6.0033 7.86042 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 7.11262 8.621 10.6299 8.62768 9.27308 16.7172 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 7.11262 8.621 10.6299 4.57447 7.25438 8.69052 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 7.09902 6.25959 5.89828 4.12865 8.7831 9.31086 numMergedOcc 0
12 mol 233 unq 1 iso 0 dist 7.09902 6.25959 5.89828 7.02682 9.61071 11.9113 numMergedOcc 0
13 mol 233 unq 2 iso 0 dist 7.09902 6.25959 5.89828 8.26863 7.1229 11.6346 numMergedOcc 0
14 mol 233 unq 3 iso 0 dist 8.73545 5.9677 8.98176 14.2672 8.7831 16.8252 numMergedOcc 0
15 mol 233 unq 4 iso 0 dist 8.73545 5.9677 8.98176 14.2649 9.61071 17.536 numMergedOcc 0
16 mol 233 unq 5 iso 0 dist 8.73545 5.9677 8.98176 7.83075 7.1229 12.1209 numMergedOcc 0
17 mol 233 unq 6 iso 0 dist 8.14581 5.9677 9.65009 7.83075 9.55705 12.1209 numMergedOcc 0
18 mol 270 unq 0 iso 0 dist 4.60602 6.17797 9.50342 4.65147 6.46935 10.0458 numMergedOcc 0
19 mol 270 unq 1 iso 0 dist 4.60602 6.17797 9.50342 7.14116 5.98384 13.3023 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 6.84909 8.23483 12.3921 4.77692 5.72473 12.9141 numMergedOcc 0
