0 mol 0 unq 0 iso 0 dist 9.19007 9.67081 16.5238 6.0225 6.94943 14.6538 7.65806 9.64573 8.29174 9.72725 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.8323 8.15894 17.9276 8.41585 10.2446 13.5229 9.87885 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 7.78327 10.6558 12.8323 8.15894 17.9276 12.2333 5.44992 15.9781 6.1206 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 7.78327 13.5227 12.8323 8.45544 17.9276 8.41585 12.3097 13.5229 9.87885 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.80762 7.78327 13.5227 12.8323 8.45544 17.9276 12.2333 4.74523 15.9781 6.1206 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 7.11305 6.38243 8.97754 10.2542 5.30734 11.5008 9.12845 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 7.11305 6.38243 13.5629 10.2542 5.30734 14.6804 9.12845 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 7.39848 6.59887 10.8828 7.24352 12.2699 10.5523 5.64171 9.80379 6.66407 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.27383 6.79356 6.21346 4.00553 6.87028 9.10675 10.3988 7.40296 11.884 9.97769 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 7.27383 6.79356 6.21346 4.00553 6.87028 9.10675 11.221 5.89202 12.0104 9.32706 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.27383 6.79356 6.21346 4.00553 6.87028 9.10675 6.64012 6.37648 5.87468 9.08221 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 7.9814 8.06267 9.21465 5.74372 9.45329 9.63906 10.6668 9.32986 12.0839 6.17207 numMergedOcc 0
12 mol 68 unq 1 iso 0 dist 7.9814 5.88334 6.22999 5.74372 9.45329 7.71872 10.6668 9.32986 10.0156 6.17207 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.61823 8.85601 13.129 5.31547 6.98037 10.9088 9.64443 7.24315 10.2467 9.36001 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.61823 8.85601 13.129 4.3481 6.9223 13.1158 9.33898 6.08245 17.4771 7.06939 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 6.49956 8.85601 12.8901 4.3481 7.0561 13.1158 9.33898 6.86728 17.4771 7.06939 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 3.9764 8.75597 11.36 5.08437 7.32662 8.29813 5.10496 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 7.26086 7.92856 8.67903 3.9764 8.75597 11.36 6.48948 13.4985 13.2057 5.92242 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.26086 7.92856 8.67903 3.9764 8.75597 11.36 6.10456 6.934 12.7473 5.2571 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 7.26086 7.92856 8.67903 3.9764 8.75597 11.36 10.1136 7.17433 15.2088 8.7497 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 6.95317 4.99604 5.92828 11.5121 10.1567 6.35793 9.02706 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 6.43433 6.87434 4.25001 6.95317 4.99604 5.92828 7.71338 8.56707 4.69658 8.47988 numMergedOcc 0
22 mol 112 unq 2 iso 0 dist 6.43433 6.87434 4.25001 6.75738 7.44041 10.3476 11.8312 12.6695 13.1881 9.05166 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.25673 8.99891 12.6218 4.78563 8.612 12.5751 5.99315 9.23795 9.14188 5.37047 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 12.4535 6.92726 12.0843 17.7925 9.22869 15.2782 6.41689 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.77552 7.55934 6.69469 12.4535 6.92726 12.0843 15.4635 5.71767 11.1628 9.07758 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 8.35555 6.79114 4.78989 4.94983 7.1069 8.60651 10.399 7.2238 10.6994 6.59889 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 8.35555 6.79114 4.78989 4.94983 7.1069 8.60651 5.87555 5.59336 4.68615 6.70693 numMergedOcc 0
28 mol 152 unq 4 iso 0 dist 8.35555 7.59457 9.43672 4.94983 7.1069 10.6225 10.399 7.2238 12.2243 6.59889 numMergedOcc 0
29 mol 152 unq 5 iso 0 dist 8.35555 7.59457 9.43672 4.94983 7.1069 10.6225 5.87555 5.59336 4.73288 6.70693 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 4.92088 4.72821 8.56547 6.42973 8.25282 9.15383 6.69288 10.1489 4.69387 7.06025 numMergedOcc 0
