0 mol 54 unq 0 iso 0 dist 6.79881 7.21223 7.71448 5.92411 5.94778 11.4983 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 7.58788 7.82766 9.91406 11.7622 9.70148 18.0094 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.39171 7.02693 8.69689 10.5627 6.89722 11.3218 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.27355 7.02693 8.0072 10.8067 9.68526 6.23522 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.27355 7.02693 8.0072 10.5627 7.26679 11.3218 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 9.27355 7.02693 8.0072 17.4113 9.30776 12.8353 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 8.60363 7.02693 9.61302 10.8067 9.72442 6.23522 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 8.60363 7.02693 9.61302 16.3515 9.02288 17.5741 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.67865 6.61645 12.6253 5.1767 4.98104 9.68271 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 9.18835 7.06763 7.47617 10.5162 8.91606 12.8123 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.25133 5.78493 4.32945 4.57807 7.11388 8.2777 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 7.25133 5.78493 4.32945 13.2652 8.83131 13.0071 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.07421 4.4077 6.14663 4.80675 6.29026 7.97548 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 7.07421 8.4874 5.32811 4.80675 6.29026 9.64164 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.07294 9.35049 3.75786 13.1243 8.84018 5.78814 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 5.59682 6.68265 4.19899 6.62991 8.89982 7.55934 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 7.71277 7.78842 4.19899 7.17016 8.89982 7.55934 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 6.21546 8.06007 7.97895 5.73338 8.69888 12.7901 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 6.03184 8.06007 9.57126 5.52686 9.57611 9.32259 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 6.03184 8.06007 9.57126 5.73338 5.08206 12.7901 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 5.69763 7.96463 7.55666 11.4562 9.48439 16.7555 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 4.58291 7.94413 6.52619 4.81051 6.47339 6.77156 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 9.88917 9.6189 9.65537 11.2655 8.68505 16.8431 numMergedOcc 0
23 mol 199 unq 1 iso 0 dist 9.56785 9.6189 11.7057 5.60906 9.60407 14.6977 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 7.65323 5.73198 3.57449 6.68626 9.99185 10.3147 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 7.65323 5.73198 3.57449 7.20088 8.31638 9.4629 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 6.41444 7.95917 5.30972 13.3774 9.67457 11.1783 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 9.81136 9.59498 9.67136 17.404 8.49704 14.459 numMergedOcc 0
28 mol 231 unq 0 iso 0 dist 7.28719 8.37596 5.70599 10.9863 7.79865 13.3733 numMergedOcc 0
29 mol 231 unq 1 iso 0 dist 7.28719 8.37596 5.70599 10.2117 6.14348 11.7319 numMergedOcc 0
30 mol 231 unq 2 iso 0 dist 6.60684 9.92749 5.70599 8.54452 7.79865 13.3733 numMergedOcc 0
31 mol 231 unq 3 iso 0 dist 6.60684 9.92749 5.70599 6.95128 6.14348 11.7319 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.74214 8.62485 6.17041 6.3873 9.31417 9.76893 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.74214 9.37688 3.90516 6.3873 9.31417 10.6273 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 5.33462 8.62485 4.51854 6.3873 5.56719 9.76893 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 5.33462 9.37688 5.3726 6.3873 5.56719 10.6273 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 6.00654 7.24545 6.94281 10.1196 9.37996 10.4359 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 8.97411 5.94328 8.9947 4.6881 5.73296 8.03012 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 9.56472 6.18698 12.1988 15.3912 9.72927 18.2966 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 6.12202 8.67957 12.2201 5.7574 7.79904 13.0817 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 6.12202 8.67957 12.2201 7.23876 9.02749 8.12739 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 4.74716 6.07843 3.97296 5.93692 8.71213 6.71946 numMergedOcc 0
42 mol 285 unq 1 iso 0 dist 4.74716 9.66678 10.6606 5.93692 8.71213 5.03601 numMergedOcc 0
