0 mol 5 unq 0 iso 0 dist 7.92988 7.24092 5.2392 4.05341 4.9568 3.33561 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.29367 6.90794 9.37435 4.88554 8.97566 4.79817 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.29367 6.90794 9.37435 8.73565 8.81085 5.2495 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.07937 15.1234 9.63803 13.3615 7.89667 8.86888 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 6.42206 7.56492 9.63803 3.63999 7.89667 8.86888 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.66602 13.5965 9.63803 13.5789 7.89667 8.86888 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 6.30807 5.03442 8.98564 9.29547 5.80534 9.85891 numMergedOcc 0
7 mol 30 unq 1 iso 0 dist 6.30807 8.04261 7.51725 9.29547 5.80534 4.94024 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 5.78968 6.44497 7.30651 3.86946 8.7531 10.1267 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 5.78968 6.44497 7.30651 10.4041 7.25138 5.98227 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.61468 7.18645 7.32064 13.4907 8.48827 6.99884 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.61468 7.18645 7.32064 10.4533 7.14048 3.75261 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 8.61468 6.85342 5.24136 13.4907 8.48827 7.80916 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 8.61468 6.85342 5.24136 10.4533 7.14048 5.07608 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 8.61468 10.4457 6.44687 13.4907 8.48827 12.6024 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 8.61468 10.4457 6.44687 10.4533 7.14048 11.1395 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 8.61468 12.613 5.85007 13.4907 8.48827 4.75637 numMergedOcc 0
17 mol 78 unq 7 iso 0 dist 8.61468 12.613 5.85007 10.4533 7.14048 5.62063 numMergedOcc 0
18 mol 78 unq 8 iso 0 dist 6.27186 7.18645 4.62314 13.4907 8.03895 6.99884 numMergedOcc 0
19 mol 78 unq 9 iso 0 dist 6.27186 7.18645 4.62314 10.4533 5.68873 3.75261 numMergedOcc 0
20 mol 78 unq 10 iso 0 dist 6.27186 6.85342 4.41745 13.4907 8.03895 7.80916 numMergedOcc 0
21 mol 78 unq 11 iso 0 dist 6.27186 6.85342 4.41745 10.4533 5.68873 5.07608 numMergedOcc 0
22 mol 78 unq 12 iso 0 dist 6.27186 12.613 6.35234 13.4907 8.03895 4.75637 numMergedOcc 0
23 mol 78 unq 13 iso 0 dist 6.27186 12.613 6.35234 10.4533 5.68873 5.62063 numMergedOcc 0
24 mol 79 unq 0 iso 0 dist 9.04935 9.01045 8.59739 8.47393 7.06029 5.70329 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 6.02644 8.96364 9.43496 5.74216 8.14427 3.70642 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.28452 7.05148 6.12348 3.7042 7.08403 3.52445 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 8.44004 13.2701 6.12348 12.5507 7.08403 3.52445 numMergedOcc 0
28 mol 128 unq 0 iso 0 dist 8.98367 6.79263 9.45412 10.337 5.38983 11.7784 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 8.56204 7.26442 6.27683 3.86496 7.33643 3.59996 numMergedOcc 0
30 mol 244 unq 0 iso 0 dist 7.00974 5.9726 9.11416 8.83892 5.16859 12.3227 numMergedOcc 0
31 mol 244 unq 1 iso 0 dist 7.00974 5.9726 9.11416 6.49718 4.79207 7.21693 numMergedOcc 0
32 mol 270 unq 0 iso 0 dist 6.55866 3.8694 6.46935 5.81979 7.97614 7.2389 numMergedOcc 0
33 mol 270 unq 1 iso 0 dist 6.55866 5.76483 5.98384 5.81979 7.97614 3.30547 numMergedOcc 0
