0 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 18.5048 13.964 14.445 9.74445 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 18.5048 15.3221 14.445 9.74445 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 12.4928 4.81926 6.35756 4.95437 7.84983 11.5882 9.56737 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.23803 6.32175 8.58044 11.1563 7 7.34473 5.20171 9.74643 5.5332 8.21889 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 9.23803 6.32175 8.58044 8.05028 6.94915 9.97763 5.20171 9.74643 5.5332 6.86702 numMergedOcc 0
5 mol 109 unq 2 iso 0 dist 8.05028 6.32175 9.97763 11.1563 8.40993 7.34473 5.20171 6.86702 5.5332 8.21889 numMergedOcc 0
6 mol 109 unq 3 iso 0 dist 8.05028 6.32175 9.97763 9.23803 6.94915 8.58044 5.20171 6.86702 5.5332 9.74643 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.23645 4.96719 7.11972 8.43116 6.5838 5.11551 7.46653 10.2695 5.39296 6.7225 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 13.2418 6.69554 9.91388 11.3384 11.0972 11.6637 9.48243 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 4.9155 9.30817 6.54501 4.68975 5.79898 9.89303 8.95641 11.4625 11.454 7.78849 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.49987 6.47843 6.54501 9.64152 5.79898 9.89303 8.15363 11.4625 11.454 7.78849 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 9.42271 6.16353 6.54501 9.15658 5.79898 9.89303 8.7669 11.4625 11.454 7.78849 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 14.5994 6.4896 8.67331 18.0191 13.0082 10.7816 9.74498 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 8.34839 10.7929 7.16148 14.5994 6.4896 8.05741 18.0191 13.0082 7.26476 9.74498 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 19.5377 13.527 12.979 9.33771 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 19.5377 13.527 12.979 7.39839 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 6.32302 5.57838 8.22528 5.47886 10.7645 11.9226 9.84492 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.77925 10.5925 8.35971 10.4879 7.43758 8.04248 15.8985 12.9448 6.0258 9.10613 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 26.5985 17.6586 10.054 8.77254 numMergedOcc 0
