0 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 4.44247 7.97558 8.98789 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.13535 9.85386 14.019 7.78899 5.30477 15.65 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.13535 4.8983 4.1846 7.78899 5.30477 6.8173 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 14.4152 5.79841 8.77872 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.18097 8.49887 7.66499 14.4152 5.79841 10.2652 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.83135 9.43839 5.22259 6.87788 5.79841 8.77872 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.74593 4.91714 3.98877 7.22864 8.66742 9.25447 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.31426 6.34669 3.77771 7.30364 7.2131 9.22123 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 6.15654 6.61645 3.87825 10.9929 7.44343 7.36335 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 5.40647 5.76109 10.3437 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.13064 7.44027 4.76749 5.40647 5.76109 9.15802 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.8962 8.55758 4.34681 5.40647 8.0955 10.3437 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.8962 7.44027 5.73248 5.40647 8.0955 9.15802 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 3.97585 7.78223 9.00059 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 9.2638 9.12145 14.6696 13.3535 6.63731 20.1116 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 9.2638 8.11048 8.478 13.3535 6.63731 14.8939 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 6.62527 5.78493 7.72948 5.6352 8.36678 11.0469 numMergedOcc 0
17 mol 126 unq 1 iso 0 dist 6.62527 5.78493 7.72948 7.68024 6.39634 12.0334 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 6.78674 9.62138 11.4253 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.49831 8.09561 5.83776 5.79944 5.11444 8.78397 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.49831 9.07315 11.2086 6.78674 9.62138 12.4377 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 8.49831 9.07315 11.2086 5.79944 5.11444 12.3356 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.31025 9.88912 6.17752 9.75316 8.62413 13.3216 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 9.31025 9.46218 15.8538 9.75316 8.62413 19.0703 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 9.83883 8.2484 5.24709 8.37757 9.82733 12.233 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 8.79627 9.6479 9.137 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 8.79627 9.6479 8.0127 numMergedOcc 0
27 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 5.05272 9.6479 9.137 numMergedOcc 0
28 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 5.05272 9.6479 8.0127 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 8.9894 9.85331 12.9062 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 6.77259 4.95415 5.26919 8.9894 9.85331 11.1772 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 6.27756 9.46421 7.83983 numMergedOcc 0
32 mol 294 unq 0 iso 0 dist 7.14502 9.49562 8.15681 12.6882 9.7659 17.8376 numMergedOcc 0
33 mol 294 unq 1 iso 0 dist 7.14502 9.49562 8.15681 9.06411 6.1268 8.58048 numMergedOcc 0
