0 mol 54 unq 0 iso 0 dist 9.90537 12.2366 6.59893 5.01578 9.06005 13.0997 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 9.90537 5.01578 9.06005 12.2366 6.59893 13.0997 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 7.61813 5.73599 9.58625 7.8379 6.36021 6.50464 numMergedOcc 0
3 mol 89 unq 0 iso 1 dist 7.61813 7.8379 6.36021 5.73599 9.58625 6.50464 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 6.9902 16.2567 9.59261 9.83687 6.67936 10.6225 numMergedOcc 0
5 mol 98 unq 0 iso 1 dist 6.9902 9.83687 6.67936 16.2567 9.59261 10.6225 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.9902 16.2567 9.59261 12.0258 8.25817 12.7411 numMergedOcc 0
7 mol 98 unq 1 iso 1 dist 6.9902 12.0258 8.25817 16.2567 9.59261 12.7411 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.9902 9.83687 6.67936 12.0258 8.25817 7.72877 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 6.9902 12.0258 8.25817 9.83687 6.67936 7.72877 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 8.33541 15.8807 9.59261 10.6448 6.67936 10.6225 numMergedOcc 0
11 mol 98 unq 2 iso 1 dist 8.33541 10.6448 6.67936 15.8807 9.59261 10.6225 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.33541 15.8807 9.59261 5.58126 8.25817 12.7411 numMergedOcc 0
13 mol 98 unq 3 iso 1 dist 8.33541 5.58126 8.25817 15.8807 9.59261 12.7411 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 8.33541 10.6448 6.67936 5.58126 8.25817 7.72877 numMergedOcc 0
15 mol 98 unq 3 iso 1 dist 8.33541 5.58126 8.25817 10.6448 6.67936 7.72877 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.41492 13.2932 8.21889 9.64513 9.74643 7 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 8.41492 9.64513 9.74643 13.2932 8.21889 7 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 8.41492 13.2932 8.21889 6.4683 6.86702 8.40993 numMergedOcc 0
19 mol 109 unq 1 iso 1 dist 8.41492 6.4683 6.86702 13.2932 8.21889 8.40993 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 8.41492 9.64513 9.74643 6.4683 6.86702 6.94915 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 8.41492 6.4683 6.86702 9.64513 9.74643 6.94915 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.93408 10.0238 9.84695 10.7949 9.18866 15.2746 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 8.93408 10.7949 9.18866 10.0238 9.84695 15.2746 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 6.05991 6.48163 5.89084 10.6392 8.47009 7.82322 numMergedOcc 0
25 mol 234 unq 0 iso 1 dist 6.05991 10.6392 8.47009 6.48163 5.89084 7.82322 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 5.50501 5.81354 8.77254 9.80505 9.96976 6.99332 numMergedOcc 0
27 mol 236 unq 0 iso 1 dist 5.50501 9.80505 9.96976 5.81354 8.77254 6.99332 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 9.77089 5.22536 4.97263 10.3792 5.36776 5.6276 numMergedOcc 0
29 mol 257 unq 0 iso 1 dist 9.77089 10.3792 5.36776 5.22536 4.97263 5.6276 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 8.94629 6.30874 5.81927 6.88723 6.09782 4.26007 numMergedOcc 0
31 mol 258 unq 0 iso 1 dist 8.94629 6.88723 6.09782 6.30874 5.81927 4.26007 numMergedOcc 0
32 mol 264 unq 0 iso 0 dist 5.11475 9.59126 9.01085 6.41758 6.28512 5.57311 numMergedOcc 0
33 mol 264 unq 0 iso 1 dist 5.11475 6.41758 6.28512 9.59126 9.01085 5.57311 numMergedOcc 0
