0 mol 38 unq 0 iso 0 dist 9.70612 4.46801 7.68478 7.98333 5.39129 5.17241 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 6.46781 4.46801 6.87122 7.98333 5.29179 5.17241 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 14.2755 9.02471 13.0996 11.2139 8.25915 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 8.07716 3.3881 5.51927 10.4602 6.0871 9.61211 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 5.78829 3.93741 5.51927 11.4868 6.0871 9.61211 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 8.1306 9.44658 9.10911 15.2279 8.6616 9.45247 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 3.83194 9.06601 7.95205 4.48869 8.48433 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.55822 4.26914 8.51123 10.2753 3.97609 9.82654 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.94863 5.17954 5.92733 11.1743 5.15286 6.77638 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.05674 5.27905 5.78814 11.2703 7.00572 6.30568 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.37459 10.6933 6.79114 16.1939 13.1754 8.78397 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.71735 6.89357 9.65093 12.2869 5.85613 8.51947 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 6.04106 3.95968 7.13783 7.9678 6.4623 5.32465 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 6.51823 5.61713 6.46771 6.86905 7.22173 9.91332 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 6.78702 3.5393 5.7944 10.201 7.8929 6.80043 numMergedOcc 0
15 mol 265 unq 1 iso 0 dist 8.59825 3.99477 5.7944 5.14122 7.8929 6.80043 numMergedOcc 0
16 mol 265 unq 2 iso 0 dist 5.89409 3.42654 8.54108 5.81967 8.31727 5.14151 numMergedOcc 0
17 mol 265 unq 3 iso 0 dist 7.45719 5.12694 8.54108 9.19106 8.31727 5.14151 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.11081 4.94483 9.96374 10.9674 12.9146 7.89784 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 7.11081 4.94483 9.96374 11.0111 13.1936 7.83983 numMergedOcc 0
