0 mol 13 unq 0 iso 0 dist 6.30479 10.9873 7.97656 13.8452 9.57675 4.56335 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.56878 10.1514 9.62468 6.43227 9.32664 15.5028 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.76332 6.67306 9.72442 10.3456 9.53327 10.1488 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.76332 14.9119 9.02288 10.3456 9.53327 14.6243 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 8.32335 5.60367 8.01692 9.43084 6.73819 4.83521 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 9.27657 11.0658 6.78459 12.1806 9.95103 7.16919 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 8.92763 15.6191 7.29462 8.54887 6.80069 10.1805 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.35267 10.4339 6.31633 9.58922 9.10677 7.20706 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.35267 4.91393 7.21115 9.58922 9.10677 5.35728 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.34402 10.5271 9.4473 5.05981 5.80404 5.81428 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.07957 16.9748 9.4473 13.7968 5.80404 5.81428 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.32453 5.01665 9.61081 11.3048 5.75595 10.0059 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.32453 4.9475 5.46922 11.3048 5.75595 8.57817 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 8.13798 14.1743 9.61081 9.49041 5.75595 10.0059 numMergedOcc 0
14 mol 143 unq 3 iso 0 dist 8.13798 9.53356 5.46922 9.49041 5.75595 8.57817 numMergedOcc 0
15 mol 143 unq 4 iso 0 dist 5.25485 13.1697 9.61081 5.39614 5.75595 10.0059 numMergedOcc 0
16 mol 143 unq 5 iso 0 dist 5.25485 9.28974 5.46922 5.39614 5.75595 8.57817 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 9.68167 5.4214 7.86625 12.1543 9.68323 7.68794 numMergedOcc 0
18 mol 199 unq 0 iso 0 dist 8.73522 6.64733 8.68505 10.2866 9.43695 5.63124 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.60093 7.39364 9.18675 6.3672 8.61546 10.8138 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 7.60093 7.39364 9.18675 12.1433 7.17024 9.98177 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 9.86445 10.5925 8.77254 7.23755 9.85348 8.84434 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 9.86445 15.0257 9.96976 7.23755 9.85348 10.1697 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 5.73065 8.05749 8.57532 9.95264 5.92532 6.82888 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 5.73065 13.2922 9.02914 9.95264 5.92532 4.37645 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 5.73065 11.9195 6.90434 9.95264 5.92532 7.70529 numMergedOcc 0
