0 mol 52 unq 0 iso 0 dist 8.52979 11.4352 9.80098 10.7036 6.22221 8.88455 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 8.52979 14.6092 7.34143 10.7036 6.22221 9.53385 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 10.7286 6.62699 10.7434 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 5.79411 6.03768 7.36792 6.52658 5.54256 3.48119 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 16.2029 9.59585 13.0914 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 9.34456 4.83846 5.86073 17.3247 9.7073 12.5818 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.41521 11.2541 8.75408 5.79975 6.42623 5.6295 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.41521 11.2541 8.75408 12.8646 8.95899 8.97962 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.41521 8.90504 6.44653 5.79975 6.42623 3.824 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 9.41521 8.90504 6.44653 12.8646 8.95899 4.96885 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.1421 7.86921 8.54584 12.077 7.97548 12.5321 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.1421 7.86921 8.54584 10.5094 9.64164 11.3755 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 9.54663 6.95124 8.54584 9.45041 7.97548 12.5321 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 9.54663 6.95124 8.54584 5.50122 9.64164 11.3755 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.44766 7.69184 6.85062 9.62739 8.80895 11.6692 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 10.5548 8.04118 4.05822 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 6.91573 7.18287 5.31024 10.5548 8.04118 4.7832 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.81925 9.75789 8.01589 4.73685 5.1609 6.91863 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 8.81925 12.7799 7.7699 4.73685 5.1609 8.26703 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 8.81925 12.5625 7.21333 4.73685 5.1609 8.89157 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 8.26136 8.25985 4.04428 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 6.94983 5.08111 8.27212 4.7723 9.27788 4.22149 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.73858 7.43079 6.16342 5.61065 4.43499 4.32238 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.86014 4.83355 9.7748 9.69757 4.9764 11.8607 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.86014 4.83355 9.7748 10.2113 6.36559 10.9137 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 5.97073 11.2857 9.7748 7.55695 4.9764 11.8607 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 5.97073 11.2857 9.7748 6.26644 6.36559 10.9137 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 6.49176 14.4976 9.7748 5.00704 4.9764 11.8607 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 6.49176 14.4976 9.7748 5.23954 6.36559 10.9137 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.87804 11.634 8.2734 11.4406 6.69619 4.02751 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.87804 11.634 8.2734 10.8521 4.49592 5.99797 numMergedOcc 0
31 mol 292 unq 2 iso 0 dist 6.07571 8.66797 8.2734 7.86088 6.69619 4.02751 numMergedOcc 0
32 mol 292 unq 3 iso 0 dist 6.07571 8.66797 8.2734 4.34603 4.49592 5.99797 numMergedOcc 0
