0 mol 7 unq 0 iso 0 dist 9.49232 8.98901 11.3411 8.75465 12.0608 7.98039 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.49232 8.98901 11.3411 8.00249 14.8119 8.97003 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.28709 9.2794 9.10017 8.63204 15.5707 11.0976 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.28709 9.2794 9.10017 5.4014 10.7012 6.92915 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 5.99463 9.35364 5.17317 7.84956 5.80449 10.5689 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 5.99463 9.35364 5.17317 8.57607 12.9542 17.1595 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 5.99463 9.35364 5.17317 6.1991 10.665 15.0045 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 5.99463 9.35364 5.17317 5.96246 5.91949 10.1179 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 6.12598 8.3907 8.66482 6.91978 5.69357 3.65582 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.36937 5.32517 8.76554 6.78833 8.19917 5.62774 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.36937 7.6275 6.56049 6.78833 8.19917 4.98024 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 9.36937 7.4738 13.1723 6.78833 8.19917 6.84628 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 9.36937 8.88867 7.4928 6.78833 8.19917 8.84157 numMergedOcc 0
13 mol 128 unq 4 iso 0 dist 9.36937 7.04282 5.92897 6.78833 8.19917 4.99095 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.17599 8.49649 13.5421 7.96353 14.49 11.0328 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.78704 8.49649 9.3059 7.96353 9.10659 11.0328 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.05137 9.19343 11.5865 7.59666 7.12863 4.98276 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 9.05137 9.19343 11.5865 6.51936 11.8793 3.72636 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 6.69026 9.19343 6.85259 7.59666 6.03168 4.98276 numMergedOcc 0
19 mol 204 unq 3 iso 0 dist 6.69026 9.19343 6.85259 6.51936 6.76479 3.72636 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 5.68392 8.36772 4.69692 9.00218 6.23677 6.88396 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 5.68392 8.36772 4.69692 6.0751 6.50689 6.41724 numMergedOcc 0
22 mol 233 unq 2 iso 0 dist 5.68392 8.83541 5.49245 9.00218 6.23677 8.71119 numMergedOcc 0
23 mol 233 unq 3 iso 0 dist 5.68392 8.83541 5.49245 6.0751 6.50689 10.8172 numMergedOcc 0
24 mol 233 unq 4 iso 0 dist 5.68392 7.55878 7.41379 9.00218 6.23677 3.66075 numMergedOcc 0
25 mol 233 unq 5 iso 0 dist 5.68392 7.55878 7.41379 6.0751 6.50689 3.98113 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.09318 9.80709 5.48336 8.83148 6.14152 3.78743 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 8.2748 8.4908 8.43114 5.65458 6.29802 3.67057 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 8.76413 7.60019 10.9754 7.48212 4.54051 10.0594 numMergedOcc 0
