0 mol 30 unq 0 iso 0 dist 8.98564 5.80534 9.85891 7.5925 7.3557 12.1447 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.55202 8.79378 9.44812 14.9502 7.57749 15.2275 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.32064 8.48827 6.99884 3.93133 4.62314 8.03895 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 7.32064 7.14048 3.75261 3.93133 4.62314 5.68873 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 4.62314 8.03895 6.99884 3.93133 7.32064 8.48827 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 4.62314 5.68873 3.75261 3.93133 7.32064 7.14048 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 5.24136 8.48827 7.80916 3.93133 4.41745 8.03895 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 5.24136 7.14048 5.07608 3.93133 4.41745 5.68873 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 4.41745 8.03895 7.80916 3.93133 5.24136 8.48827 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 4.41745 5.68873 5.07608 3.93133 5.24136 7.14048 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 5.85007 8.48827 4.75637 3.93133 6.35234 8.03895 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 5.85007 7.14048 5.62063 3.93133 6.35234 5.68873 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 6.35234 8.03895 4.75637 3.93133 5.85007 8.48827 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 6.35234 5.68873 5.62063 3.93133 5.85007 7.14048 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.34638 9.68556 11.0062 4.24815 6.0995 9.23905 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.12348 7.08403 3.52445 11.0841 7.2672 9.88567 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 9.87191 8.24233 6.16979 4.61575 9.21528 10.1101 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 9.45412 5.38983 11.7784 10.0842 7.95999 13.5063 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 10.4144 8.09774 17.3743 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 6.53559 5.06053 10.2785 10.4144 8.09774 15.1973 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 8.09774 7.84813 9.87781 10.4144 6.53559 14.109 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 6.27683 7.33643 3.59996 11.0771 7.1757 10.1085 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.41148 8.93485 6.49396 4.20051 5.06713 5.66636 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 5.06713 5.66636 6.49396 4.20051 6.41148 8.93485 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 8.58772 8.69334 9.51878 4.83206 9.22764 13.0519 numMergedOcc 0
