0 mol 7 unq 0 iso 0 dist 8.85869 7.5298 5.38328 14.9956 8.94586 13.9391 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.85869 7.87568 9.19359 14.9956 8.94586 18.011 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.38301 5.95004 5.43618 14.1831 9.89706 10.8427 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.27592 8.51894 3.83043 11.597 9.99691 11.3628 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 5.86791 9.03987 8.63476 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 7.75237 4.87423 8.67175 5.86791 8.63476 9.03987 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.99156 7.84699 5.05066 10.38 9.53327 14.2184 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.99156 8.40844 4.4628 10.38 9.53327 12.4862 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 7.21285 7.53504 5.05066 14.9324 9.53327 14.2184 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 7.21285 8.66342 4.4628 14.9324 9.53327 12.4862 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 7.21285 6.95094 7.64038 14.9324 9.53327 11.5958 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 7.93891 8.62536 4.73776 4.90088 8.86612 6.84747 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.62536 7.93891 4.73776 4.90088 6.84747 8.86612 numMergedOcc 0
13 mol 76 unq 2 iso 0 dist 8.62536 7.93891 4.73776 7.5659 7.75436 10.1494 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87856 6.2491 11.9551 4.81103 4.94406 7.2337 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.2491 8.87856 11.9551 4.81103 7.2337 4.94406 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.99446 7.21636 5.72609 5.8155 9.62138 5.11444 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 7.21636 7.99446 5.72609 5.8155 5.11444 9.62138 numMergedOcc 0
18 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 5.02458 9.6281 12.1713 numMergedOcc 0
19 mol 156 unq 1 iso 0 dist 6.67598 8.79185 10.7024 5.02458 9.6281 6.22667 numMergedOcc 0
20 mol 156 unq 2 iso 0 dist 8.79185 6.67598 10.7024 5.02458 6.22667 9.6281 numMergedOcc 0
21 mol 156 unq 3 iso 0 dist 8.79185 8.98636 10.9842 5.02458 6.22667 12.1713 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.77393 4.35909 8.67658 9.86163 5.67112 13.2143 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 9.60247 7.80496 5.5301 12.831 8.8938 13.2159 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 9.92947 7.46044 16.6444 6.64902 9.42667 12.1972 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 7.46044 9.92947 16.6444 4.07416 6.48885 13.3398 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 6.36813 4.99301 6.35724 8.0412 8.81349 12.3339 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 8.17922 8.26695 16.4367 4.48276 8.30714 10.2662 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 8.17922 5.59151 12.757 4.48276 8.30714 9.61642 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 8.16746 9.96645 17.8293 6.84952 9.02661 13.0106 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 8.16746 9.29005 5.09461 6.84952 9.02661 9.67276 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.42812 8.83777 11.4925 13.008 5.92532 16.9867 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.76889 6.37469 11.9542 4.99186 8.16582 10.4934 numMergedOcc 0
