0 mol 13 unq 0 iso 0 dist 9.1093 10.2967 7.71544 14.9768 8.5226 6.49386 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.70164 9.05783 9.76851 6.91848 6.11016 5.25185 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.89076 8.96662 5.96486 5.6505 6.22059 3.55079 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 8.68497 11.4303 5.96486 14.5307 8.18695 8.74391 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.04648 5.07022 7.97999 10.48 8.79457 11.3474 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 5.7232 6.45157 7.12336 3.62675 6.31523 9.72036 numMergedOcc 0
6 mol 176 unq 0 iso 0 dist 9.60497 5.84577 6.59532 10.5184 9.65262 11.9861 numMergedOcc 0
7 mol 176 unq 1 iso 0 dist 9.02576 14.0428 7.4839 11.2079 8.49845 6.08965 numMergedOcc 0
8 mol 176 unq 2 iso 0 dist 9.02576 9.53818 8.13465 11.2079 8.49845 6.05626 numMergedOcc 0
9 mol 176 unq 3 iso 0 dist 9.02576 9.9111 9.09742 11.2079 8.49845 6.24631 numMergedOcc 0
10 mol 176 unq 4 iso 0 dist 8.11904 9.9111 9.94201 11.5571 8.00931 8.92781 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 8.50695 9.60638 8.7143 6.87286 8.76105 7.7128 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 6.06763 11.8032 9.56016 9.74741 6.83972 4.27185 numMergedOcc 0
13 mol 185 unq 1 iso 0 dist 6.06763 11.8032 9.56016 8.11468 6.70069 12.2909 numMergedOcc 0
14 mol 185 unq 2 iso 0 dist 6.06763 10.8076 7.92501 9.74741 6.83972 6.91571 numMergedOcc 0
15 mol 185 unq 3 iso 0 dist 6.06763 10.8076 7.92501 8.11468 6.70069 3.60036 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.21404 11.3422 8.99496 9.27656 7.03647 6.01175 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.09776 6.34974 7.50665 9.28788 8.71535 3.52422 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 6.74048 3.9734 9.03136 6.07458 8.69525 9.29112 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 9.98868 9.48658 6.15713 9.1955 8.4485 4.41915 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.28068 5.70683 8.36393 8.40497 7.81415 3.27256 numMergedOcc 0
