0 mol 44 unq 0 iso 0 dist 7.20409 11.7723 7.44869 4.53848 7.61923 14.1388 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.93729 5.4204 9.17447 4.53848 5.11941 4.6365 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.19406 9.72598 8.18251 6.51519 7.57749 6.28248 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 7.19406 4.50032 5.02642 6.51519 7.57749 3.66253 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.55854 5.37112 9.14072 4.27513 5.41774 4.55422 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 5.48669 8.94459 9.14072 4.78298 5.41774 4.55422 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 5.78051 9.49743 9.14072 5.26955 5.41774 4.55422 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.4689 11.4549 5.47459 14.5765 9.54377 10.0325 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.0101 4.77004 7.41861 4.05111 6.63973 6.1999 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.59179 6.11866 7.66873 4.06369 7.07716 3.44189 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 4.76012 7.37866 5.16531 5.75588 6.53559 9.54936 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 4.76012 7.37866 5.16531 4.18263 7.90844 9.63929 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 9.2313 6.17551 6.14952 4.59736 8.43651 4.70365 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 9.2313 6.17551 6.14952 5.5855 9.79573 3.82933 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 7.83389 6.22575 5.21088 12.5518 7.93715 6.62595 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 7.83389 14.4767 9.78743 12.5518 7.93715 13.2141 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 7.83389 6.95862 8.25609 12.5518 7.93715 12.1003 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 9.78043 10.9934 9.35664 5.61997 9.48766 6.04748 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 8.05227 5.71227 7.32228 4.26432 6.0033 6.57766 numMergedOcc 0
19 mol 212 unq 0 iso 0 dist 7.67675 10.4593 8.09185 4.71123 5.03184 7.52135 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.17749 4.56851 4.87053 10.935 8.86886 6.4817 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 6.97966 4.59722 5.19913 3.86571 8.98005 5.84974 numMergedOcc 0
22 mol 233 unq 0 iso 0 dist 7.09902 9.3685 8.01777 4.12865 8.7831 12.6648 numMergedOcc 0
23 mol 233 unq 1 iso 0 dist 7.09902 9.3685 8.01777 7.02682 9.61071 13.8023 numMergedOcc 0
24 mol 233 unq 2 iso 0 dist 7.09902 9.3685 8.01777 8.26863 7.1229 8.98854 numMergedOcc 0
25 mol 233 unq 3 iso 0 dist 8.73545 4.67806 8.01777 14.2672 8.7831 12.6648 numMergedOcc 0
26 mol 233 unq 4 iso 0 dist 8.73545 4.67806 8.01777 14.2649 9.61071 13.8023 numMergedOcc 0
27 mol 233 unq 5 iso 0 dist 8.73545 4.67806 8.01777 7.83075 7.1229 8.98854 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.40448 10.7979 9.73763 11.9684 8.41945 5.75039 numMergedOcc 0
