0 mol 79 unq 0 iso 0 dist 7.18358 7.10351 6.32618 6.06978 7.58743 5.70907 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 4.3761 6.91361 3.92844 4.54306 5.33961 6.83746 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 5.84583 6.91361 10.8121 4.54306 5.08983 6.83746 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 4.90449 8.38498 6.00304 5.74561 5.90003 11.6545 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 8.22824 5.10248 4.02705 4.78701 8.78303 5.11043 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 8.30819 9.08829 13.9427 4.61696 6.51523 12.5856 numMergedOcc 0
6 mol 171 unq 1 iso 0 dist 8.30819 5.94881 14.0377 4.61696 6.51523 8.999 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 5.39622 9.12102 11.5511 8.84505 9.18289 12.0941 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 5.39622 9.12102 11.5511 8.53889 6.52441 16.3553 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 5.39622 9.12102 11.5511 5.565 6.26168 14.6369 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 7.67675 6.99065 9.6542 4.71123 5.03184 9.10095 numMergedOcc 0
11 mol 212 unq 1 iso 0 dist 7.67675 5.90507 8.90296 4.71123 5.03184 9.22129 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 6.97966 7.03084 4.97784 3.86571 8.98005 7.07833 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 7.09902 9.0705 5.72267 4.12865 8.7831 12.3936 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 7.09902 9.0705 5.72267 7.02682 9.61071 14.3003 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 7.09902 9.0705 5.72267 8.26863 7.1229 11.6407 numMergedOcc 0
16 mol 233 unq 3 iso 0 dist 8.73545 9.63438 5.72267 14.2672 8.7831 12.3936 numMergedOcc 0
17 mol 233 unq 4 iso 0 dist 8.73545 9.63438 5.72267 14.2649 9.61071 14.3003 numMergedOcc 0
18 mol 233 unq 5 iso 0 dist 8.73545 9.63438 5.72267 7.83075 7.1229 11.6407 numMergedOcc 0
19 mol 233 unq 6 iso 0 dist 8.14581 9.63438 13.5353 7.83075 9.55705 11.6407 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 5.03174 8.43465 6.63115 4.66338 7.19658 6.02757 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.62637 9.80582 14.289 7.68003 6.46935 17.4348 numMergedOcc 0
22 mol 270 unq 1 iso 0 dist 6.62637 9.80582 14.289 5.44817 5.98384 14.3417 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 6.84909 9.97806 9.67324 4.77692 5.72473 12.0857 numMergedOcc 0
