0 mol 1 unq 0 iso 0 dist 6.06669 9.60615 7.28542 12.2868 6.2936 10.0996 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.44478 8.79013 5.03514 7.00079 8.18296 10.2159 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 5.44478 8.79013 5.03514 6.50215 7.99569 12.1384 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 9.48375 9.40953 17.1356 6.25033 7.96312 13.7806 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 9.48375 9.57896 16.6725 6.25033 7.96312 10.6956 numMergedOcc 0
5 mol 27 unq 2 iso 0 dist 6.85127 9.40953 12.1419 6.25033 7.67129 13.7806 numMergedOcc 0
6 mol 27 unq 3 iso 0 dist 6.85127 9.57896 12.5927 6.25033 7.67129 10.6956 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 9.01131 7.91608 5.23317 6.03683 9.52442 10.7508 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 6.31232 9.18988 10.4469 12.6015 9.18949 19.1262 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 4.81596 9.69767 5.72858 6.24872 7.00113 12.6339 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 4.81596 9.69767 5.72858 10.4668 9.85979 14.8345 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.48833 7.11486 6.57177 9.81728 7.32407 12.8649 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 7.48833 7.11486 6.57177 6.95825 6.48695 9.35533 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 8.60157 9.8506 16.0449 6.57631 6.86997 16.3886 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.60157 9.8506 16.0449 8.40891 7.46919 17.6216 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 8.60157 9.8506 16.0449 11.7674 8.24581 21.2701 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 8.59359 9.91991 16.1293 6.56068 6.79381 16.4395 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 8.59359 9.91991 16.1293 8.32178 7.36989 17.5615 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 8.59359 9.91991 16.1293 11.7699 8.17805 21.3077 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.45502 6.22696 7.41724 7.33177 8.07946 12.4619 numMergedOcc 0
20 mol 184 unq 0 iso 0 dist 9.0757 9.53656 13.9278 5.71349 4.88303 10.3823 numMergedOcc 0
21 mol 184 unq 1 iso 0 dist 9.0757 7.06562 11.2707 5.71349 4.88303 10.6379 numMergedOcc 0
22 mol 184 unq 2 iso 0 dist 7.51045 8.32647 14.7937 8.54538 4.88303 14.9701 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 9.48559 5.74676 7.65985 3.5882 8.30195 7.67837 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 5.62295 6.52085 7.38786 8.51351 4.87349 10.8231 numMergedOcc 0
25 mol 284 unq 1 iso 0 dist 5.62295 9.84174 11.9492 8.51351 4.87349 16.5656 numMergedOcc 0
