0 mol 43 unq 0 iso 0 dist 8.81562 4.80528 9.02471 10.0917 5.46849 9.74445 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.32525 7.02846 8.06267 10.8831 13.0721 9.93344 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.05444 7.02846 5.88334 10.8831 10.6791 9.93344 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.02693 10.8067 6.23522 9.27355 8.0072 9.68526 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.02693 10.8067 6.23522 8.60363 9.61302 9.72442 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.58248 7.9573 6.23522 10.4858 8.0072 9.68526 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.58248 7.9573 6.23522 13.3367 9.61302 9.72442 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 4.821 6.28781 4.42563 14.302 12.2092 8.33083 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 8.50362 10.3233 8.57739 12.0368 3.75669 9.91381 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 5.78493 4.57807 8.2777 7.25133 4.32945 7.11388 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 4.4077 4.80675 7.97548 7.07421 6.14663 6.29026 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 8.4874 4.80675 9.64164 7.07421 5.32811 6.29026 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.35049 13.1243 5.78814 9.07294 3.75786 8.84018 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.57243 12.8338 7.46621 14.6519 6.97119 6.42756 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.07315 14.7437 9.00072 23.5554 17.3816 9.10619 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.07315 10.719 7.55419 12.0249 6.37913 9.74498 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 6.68265 6.62991 7.55934 5.59682 4.19899 8.89982 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 7.78842 7.17016 7.55934 7.71277 4.19899 8.89982 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.06007 5.52686 9.32259 6.03184 9.57126 9.57611 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 7.94413 4.81051 6.77156 4.58291 6.52619 6.47339 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 20.6382 14.8213 8.43584 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 5.73198 7.20088 9.4629 7.65323 3.57449 8.31638 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 5.73198 7.20088 9.4629 12.322 13.6373 9.72979 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 5.94328 4.6881 8.03012 8.97411 8.9947 5.73296 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 7.91978 6.80596 8.03012 11.4777 8.9947 5.73296 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.67957 7.23876 8.12739 6.12202 12.2201 9.02749 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 4.1545 10.4297 7.42932 12.4458 11.5613 9.02914 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 4.1545 5.77904 4.9764 12.4458 11.5613 6.90434 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 4.25172 5.77904 6.36559 12.4458 13.0566 6.90434 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 5.38739 6.41403 9.07995 10.5035 7.27864 9.53225 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 6.07843 5.93692 6.71946 4.74716 3.97296 8.71213 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 7.08681 9.237 5.03601 17.2349 10.6606 8.71213 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 9.66678 5.93692 5.03601 4.74716 10.6606 8.71213 numMergedOcc 0
