0 mol 54 unq 0 iso 0 dist 7.54869 6.29729 5.08001 5.50049 9.5589 6.83299 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.29729 7.54869 5.08001 5.50049 6.83299 9.5589 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.97123 9.532 6.86346 7.20068 6.65721 6.72123 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.532 6.97123 6.86346 7.20068 6.72123 6.65721 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.90769 9.02255 18.3853 11.0096 7.88289 16.3243 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 9.90769 9.02255 18.3853 10.3117 9.01083 16.2177 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 9.02255 9.90769 18.3853 5.2048 7.27724 12.5232 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 7.89797 6.12086 8.41707 4.98369 7.27724 8.03644 numMergedOcc 0
8 mol 95 unq 4 iso 0 dist 6.12086 7.89797 8.41707 13.7041 9.03572 16.9836 numMergedOcc 0
9 mol 95 unq 5 iso 0 dist 6.12086 7.89797 8.41707 11.3093 8.83255 16.9811 numMergedOcc 0
10 mol 95 unq 6 iso 0 dist 6.12086 7.89797 8.41707 4.98369 8.03644 7.27724 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 7.86754 7.96917 10.4404 8.48326 8.69985 15.7525 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 7.86754 7.70586 7.15843 8.48326 8.69985 13.1098 numMergedOcc 0
13 mol 109 unq 2 iso 0 dist 5.8729 6.73551 4.98336 9.80725 8.69985 13.4572 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 5.43031 9.23352 4.8896 5.21064 7.71338 11.5121 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 9.09856 9.14697 6.50188 7.87833 9.28393 13.4452 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.20372 6.65519 10.7062 4.88092 8.40312 6.85062 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 6.65519 9.20372 10.7062 4.88092 6.85062 8.40312 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.70271 6.2109 8.18495 10.8963 7.11802 8.00618 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 6.2109 6.70271 8.18495 11.6923 6.29155 13.268 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 6.2109 6.70271 8.18495 12.4997 6.80239 12.6651 numMergedOcc 0
21 mol 133 unq 3 iso 0 dist 6.2109 6.70271 8.18495 10.8963 8.00618 7.11802 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 6.90378 7.01955 5.32922 8.11604 9.2313 5.31024 numMergedOcc 0
23 mol 142 unq 1 iso 0 dist 6.90378 7.01955 5.32922 5.39629 7.73169 7.26382 numMergedOcc 0
24 mol 142 unq 2 iso 0 dist 6.90378 7.01955 5.32922 5.4779 8.96657 11.0824 numMergedOcc 0
25 mol 142 unq 3 iso 0 dist 7.01955 6.90378 5.32922 8.11604 5.31024 9.2313 numMergedOcc 0
26 mol 142 unq 4 iso 0 dist 7.01955 6.90378 5.32922 5.39629 7.26382 7.73169 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 8.95053 9.99721 7.5617 7.87147 9.62191 10.1741 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 6.78537 7.28579 7.73294 9.45246 7.7366 13.9342 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 7.9828 8.73296 12.5247 7.97488 8.53687 12.6839 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 8.73296 7.9828 12.5247 6.69309 9.18903 10.5767 numMergedOcc 0
