0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 6.72215 6.55304 9.60499 10.7001 6.14349 6.44736 12.2869 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 10.3343 5.59311 5.54419 18.3913 15.0804 6.73939 12.176 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.44343 11.8037 6.95572 9.514 9.50382 7.4729 13.7462 6.36037 7.38677 12.7565 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 7.44343 11.8037 6.95572 13.0248 7.56363 6.82344 13.7462 6.36037 7.38677 5.91004 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 9.2657 9.19339 9.3778 14.6763 11.0769 8.62381 11.5759 4.38093 7.73435 7.43922 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 15.594 6.30169 9.61051 15.6434 7.91034 7.58957 5.68211 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 11.5151 4.55551 5.83384 15.6434 7.91034 7.58957 10.5488 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.80404 6.80292 9.22232 13.0521 16.0138 7.11802 15.062 18.2432 9.22661 5.92062 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.80404 6.80292 9.22232 13.0521 16.0138 7.11802 10.5885 15.4484 7.56378 6.61891 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 5.75595 11.2897 7.78652 11.3921 6.48978 5.99315 9.84247 4.30566 8.91301 5.20762 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 8.32227 9.67236 8.61587 17.1888 12.4274 8.34702 9.15984 6.12113 7.30357 10.4977 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 8.32227 9.67236 8.61587 16.6532 10.9151 9.06726 9.15984 6.12113 7.30357 12.3086 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 8.32227 9.67236 8.61587 14.0336 6.98125 8.33171 9.15984 6.12113 7.30357 7.79535 numMergedOcc 0
13 mol 156 unq 3 iso 0 dist 7.70894 11.8579 9.47433 16.1718 11.9952 7.44554 19.5388 16.7026 9.44367 5.4555 numMergedOcc 0
14 mol 156 unq 4 iso 0 dist 9.6281 5.0966 9.44367 7.30021 5.4555 7.44554 10.9903 16.7026 9.47433 11.9952 numMergedOcc 0
15 mol 156 unq 5 iso 0 dist 6.22667 9.07974 9.44367 10.0734 5.4555 7.44554 18.2332 16.7026 9.47433 11.9952 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.66608 5.16386 6.41453 11.5992 7.20191 7.63312 10.9743 9.53592 5.9176 5.63555 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 9.68323 5.40949 6.73956 7.86625 7.68794 9.31746 10.8403 6.27728 7.09394 9.37404 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 10.2913 6.00424 9.34734 16.6827 11.362 5.41321 10.7656 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 8.61546 14.5234 7.43071 14.5974 6.35849 7.22101 16.6827 11.362 5.41321 10.9607 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 8.61546 14.5234 7.43071 17.402 10.204 8.65997 16.6827 11.362 5.41321 9.72615 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 8.61546 14.5234 7.43071 13.1699 9.76735 7.56888 16.6827 11.362 5.41321 5.10635 numMergedOcc 0
22 mol 227 unq 4 iso 0 dist 8.61546 14.5234 7.43071 11.3667 9.32448 7.55216 16.6827 11.362 5.41321 6.48027 numMergedOcc 0
