0 mol 43 unq 0 iso 0 dist 7.21995 8.81562 3.83842 4.80528 8.03754 9.02471 10.0917 8.75469 5.46849 9.74445 numMergedOcc 0
1 mol 122 unq 0 iso 0 dist 8.9864 4.821 7.33765 6.28781 11.3383 4.42563 14.302 18.0337 12.2092 8.33083 numMergedOcc 0
2 mol 124 unq 0 iso 0 dist 7.18976 8.50362 5.3096 10.3233 12.5031 8.57739 12.0368 8.35935 3.75669 9.91381 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 7.6453 4.4077 6.61102 4.80675 8.00624 7.97548 7.07421 5.06265 6.14663 6.29026 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 7.6453 8.4874 9.0678 4.80675 8.00624 9.64164 7.07421 5.06265 5.32811 6.29026 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 5.79195 9.35049 4.63862 13.1243 9.64659 5.78814 9.07294 5.35551 3.75786 8.84018 numMergedOcc 0
6 mol 198 unq 0 iso 0 dist 8.51153 7.94413 7.14873 4.81051 9.53527 6.77156 4.58291 3.96154 6.52619 6.47339 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 4.81837 8.83628 9.70513 14.3203 17.0191 9.31158 20.6382 23.6578 14.8213 8.43584 numMergedOcc 0
8 mol 205 unq 1 iso 0 dist 6.43519 8.83628 6.82382 14.3203 11.2748 9.31158 20.6382 15.4806 14.8213 8.43584 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 8.58092 5.94328 5.05766 4.6881 11.1621 8.03012 8.97411 13.2474 8.9947 5.73296 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 7.40014 7.91978 5.05766 6.80596 11.1621 8.03012 11.4777 13.2474 8.9947 5.73296 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 9.34051 8.67957 4.66969 7.23876 8.88221 8.12739 6.12202 10.3702 12.2201 9.02749 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 8.15119 4.1545 9.21484 10.4297 9.92831 7.42932 12.4458 5.95045 11.5613 9.02914 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 8.15119 4.1545 9.21484 5.77904 4.81916 4.9764 12.4458 5.95045 11.5613 6.90434 numMergedOcc 0
14 mol 277 unq 2 iso 0 dist 8.15119 4.25172 10.3506 5.77904 4.81916 6.36559 12.4458 5.95045 13.0566 6.90434 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 9.28067 5.38739 8.09099 6.41403 14.8501 9.07995 10.5035 13.4016 7.27864 9.53225 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 7.872 7.08681 11.2722 9.237 15.1926 5.03601 17.2349 21.4345 10.6606 8.71213 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 6.32984 7.08681 3.57803 9.237 8.46833 5.03601 17.2349 13.7389 10.6606 8.71213 numMergedOcc 0
