0 mol 41 unq 0 iso 0 dist 7.56029 9.76552 7.31718 12.6338 5.47447 8.32323 numMergedOcc 0
1 mol 41 unq 0 iso 1 dist 7.56029 12.6338 5.47447 9.76552 7.31718 8.32323 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.45329 9.21465 9.63906 6.22999 7.71872 3.20411 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 9.45329 6.22999 7.71872 9.21465 9.63906 3.20411 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.04168 5.47798 4.78333 7.86805 4.74254 5.63083 numMergedOcc 0
5 mol 79 unq 0 iso 1 dist 8.04168 7.86805 4.74254 5.47798 4.78333 5.63083 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 7.26995 6.74231 5.35861 3.8835 8.61641 5.72008 numMergedOcc 0
7 mol 83 unq 0 iso 1 dist 7.26995 3.8835 8.61641 6.74231 5.35861 5.72008 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.8435 12.5638 6.67678 12.4215 7.24956 2.81832 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 7.8435 12.4215 7.24956 12.5638 6.67678 2.81832 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.8435 12.5638 6.67678 5.99863 8.28591 10.7776 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 7.8435 5.99863 8.28591 12.5638 6.67678 10.7776 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.8435 12.5638 6.67678 6.15015 9.40687 10.4844 numMergedOcc 0
13 mol 93 unq 2 iso 1 dist 7.8435 6.15015 9.40687 12.5638 6.67678 10.4844 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 7.8435 12.4215 7.24956 5.99863 8.28591 11.7564 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 7.8435 5.99863 8.28591 12.4215 7.24956 11.7564 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.8435 12.4215 7.24956 6.15015 9.40687 10.3262 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 7.8435 6.15015 9.40687 12.4215 7.24956 10.3262 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 7.8435 5.99863 8.28591 6.15015 9.40687 5.02964 numMergedOcc 0
19 mol 93 unq 2 iso 1 dist 7.8435 6.15015 9.40687 5.99863 8.28591 5.02964 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 5.99269 5.99863 5.35008 6.15015 8.84576 5.02964 numMergedOcc 0
21 mol 93 unq 3 iso 1 dist 5.99269 6.15015 8.84576 5.99863 5.35008 5.02964 numMergedOcc 0
22 mol 93 unq 4 iso 0 dist 5.71763 5.99863 8.30921 6.15015 7.39732 5.02964 numMergedOcc 0
23 mol 93 unq 4 iso 1 dist 5.71763 6.15015 7.39732 5.99863 8.30921 5.02964 numMergedOcc 0
24 mol 93 unq 5 iso 0 dist 5.71763 5.99863 8.30921 10.9803 9.67744 8.84051 numMergedOcc 0
25 mol 93 unq 5 iso 1 dist 5.71763 10.9803 9.67744 5.99863 8.30921 8.84051 numMergedOcc 0
26 mol 93 unq 5 iso 0 dist 5.71763 6.15015 7.39732 10.9803 9.67744 5.30633 numMergedOcc 0
27 mol 93 unq 5 iso 1 dist 5.71763 10.9803 9.67744 6.15015 7.39732 5.30633 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.04815 6.50208 6.94594 6.3786 5.81881 3.09727 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 7.04815 6.3786 5.81881 6.50208 6.94594 3.09727 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 5.53324 7.82899 4.45769 10.0237 5.89939 3.78714 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 5.53324 10.0237 5.89939 7.82899 4.45769 3.78714 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 7.97027 9.06039 9.79673 3.98816 6.39673 7.78447 numMergedOcc 0
33 mol 222 unq 0 iso 1 dist 7.97027 3.98816 6.39673 9.06039 9.79673 7.78447 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 9.39658 10.4138 7.62991 19.1465 9.81261 14.7288 numMergedOcc 0
35 mol 252 unq 0 iso 1 dist 9.39658 19.1465 9.81261 10.4138 7.62991 14.7288 numMergedOcc 0
36 mol 252 unq 1 iso 0 dist 5.9974 6.33781 7.62991 14.8966 9.81261 14.7288 numMergedOcc 0
37 mol 252 unq 1 iso 1 dist 5.9974 14.8966 9.81261 6.33781 7.62991 14.7288 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 8.94601 8.03918 4.27826 11.1127 5.82074 4.87372 numMergedOcc 0
39 mol 285 unq 0 iso 1 dist 8.94601 11.1127 5.82074 8.03918 4.27826 4.87372 numMergedOcc 0
