0 mol 15 unq 0 iso 0 dist 5.19544 7.63656 7.07399 8.72187 4.29582 8.38064 8.80394 6.03257 4.39605 7.48342 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.05148 6.17631 8.6653 7.63928 5.82503 6.03987 9.78075 12.0452 5.68392 6.85556 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.05148 5.59268 7.92503 10.5993 6.11127 7.57578 10.7087 11.4912 6.08585 8.50222 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.05148 5.59268 7.92503 8.88413 5.30154 7.17969 10.7087 11.4912 6.08585 7.55264 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 5.97635 4.29856 6.83299 11.5332 10.7227 13.86 7.21717 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.84625 5.40367 8.80614 9.01612 10.2049 6.86465 4.37642 10.2007 5.78774 9.92355 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.84625 5.40367 8.80614 6.36193 9.95364 6.62496 4.37642 10.2007 5.78774 5.93884 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 5.84625 5.40367 8.80614 4.88613 5.49591 6.35756 4.37642 10.2007 5.78774 7.68678 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 12.3884 7.06961 5.08437 12.5752 6.88901 4.4057 6.65501 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.94696 7.1452 4.47349 12.3884 7.06961 6.10456 12.5752 6.88901 9.67482 6.65501 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.34823 5.3154 6.73586 6.18763 5.13589 6.18601 6.49348 13.0074 10.4376 8.00003 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.86988 7.59962 7.58957 12.5845 10.5488 5.83384 17.681 16.1714 10.7293 9.36851 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 9.86988 7.59962 7.58957 12.5845 10.5488 5.83384 14.0687 13.8117 7.29399 4.97175 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 5.66363 9.47799 8.90963 9.86845 8.91338 9.1374 12.0718 12.1629 6.6251 6.2479 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 10.8675 10.515 5.6044 9.72611 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 5.66363 9.47799 8.90963 13.0329 9.81073 5.98885 12.0718 12.1629 6.6251 7.99195 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 5.97968 9.09989 8.90963 12.5284 8.91338 9.1374 13.7282 12.1629 6.6251 6.2479 numMergedOcc 0
17 mol 181 unq 4 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 8.30103 10.515 5.6044 9.72611 numMergedOcc 0
18 mol 181 unq 5 iso 0 dist 5.97968 9.09989 8.90963 12.9014 9.81073 5.98885 13.7282 12.1629 6.6251 7.99195 numMergedOcc 0
19 mol 181 unq 6 iso 0 dist 8.50382 12.4243 8.90963 16.91 8.91338 9.1374 18.2169 12.1629 6.6251 6.2479 numMergedOcc 0
20 mol 181 unq 7 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 9.49963 10.515 5.6044 9.72611 numMergedOcc 0
21 mol 181 unq 8 iso 0 dist 8.50382 12.4243 8.90963 14.5608 9.81073 5.98885 18.2169 12.1629 6.6251 7.99195 numMergedOcc 0
22 mol 181 unq 9 iso 0 dist 8.63119 4.98009 8.90963 12.0593 8.91338 9.1374 10.6331 12.1629 6.6251 6.2479 numMergedOcc 0
23 mol 181 unq 10 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 3.90972 10.515 5.6044 9.72611 numMergedOcc 0
24 mol 181 unq 11 iso 0 dist 8.63119 4.98009 8.90963 10.3248 9.81073 5.98885 10.6331 12.1629 6.6251 7.99195 numMergedOcc 0
25 mol 181 unq 12 iso 0 dist 6.95568 4.11061 6.59025 11.5719 8.04639 8.03334 10.453 8.86197 7.81713 6.2479 numMergedOcc 0
26 mol 181 unq 13 iso 0 dist 9.07527 9.32503 5.9176 12.06 5.63555 7.63312 13.6951 10.3104 12.5387 5.94469 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 8.62191 18.2283 9.68728 18.4353 10.8573 8.51516 18.116 10.2072 5.86489 7.32294 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 9.29752 8.80479 8.27212 6.36084 9.8664 4.9377 9.40808 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.3201 3.93713 7.16853 8.19504 5.00209 6.24356 7.28197 10.3854 7.52936 5.93616 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 12.6706 6.20558 7.56915 5.15747 6.88827 5.29529 8.52587 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 9.02071 5.9882 9.85289 9.71801 6.20558 7.56915 4.36131 6.88827 5.29529 8.52587 numMergedOcc 0
