0 mol 18 unq 0 iso 0 dist 9.4649 7.66002 7.18581 8.81762 7.29441 6.6768 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.4649 7.66002 7.18581 5.32149 10.4194 10.1168 numMergedOcc 0
2 mol 18 unq 2 iso 0 dist 9.4649 6.83177 13.8487 8.81762 7.29441 12.6736 numMergedOcc 0
3 mol 18 unq 3 iso 0 dist 9.4649 6.83177 13.8487 5.32149 10.4194 5.73846 numMergedOcc 0
4 mol 18 unq 4 iso 0 dist 6.45965 7.66002 8.59424 8.81762 8.32004 6.6768 numMergedOcc 0
5 mol 18 unq 5 iso 0 dist 6.45965 7.66002 8.59424 5.32149 6.47139 10.1168 numMergedOcc 0
6 mol 18 unq 6 iso 0 dist 6.45965 6.83177 10.0434 8.81762 8.32004 12.6736 numMergedOcc 0
7 mol 18 unq 7 iso 0 dist 6.45965 6.83177 10.0434 5.32149 6.47139 5.73846 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.073 6.37408 9.76004 5.9651 5.71797 8.66168 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.32868 8.79798 13.0334 9.96446 9.29076 16.134 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.32868 8.79798 13.0334 6.70686 4.39652 13.618 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 6.82522 9.96575 11.1038 8.07365 5.33325 8.88286 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.82522 8.59592 6.87751 8.07365 5.33325 9.02184 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.26722 8.34402 8.83212 8.66715 12.7925 6.80292 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.26722 8.34402 8.83212 9.00172 12.7637 11.8155 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 5.63173 8.07957 4.42865 8.95433 5.36939 6.80292 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 5.7709 9.39921 6.64858 4.78641 5.90604 12.0021 numMergedOcc 0
17 mol 195 unq 1 iso 0 dist 5.7709 7.66181 5.41861 4.78641 5.90604 7.95188 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 4.38586 8.55126 8.62656 8.53615 8.65216 9.75601 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 6.79115 9.86445 6.83211 5.77925 4.38595 10.054 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 5.73318 9.02234 4.68717 9.59483 4.51174 6.86772 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.58667 7.64708 6.10805 9.38793 4.84657 10.9419 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.58667 5.73065 10.6929 9.38793 4.84657 12.4605 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 6.01542 7.64708 8.78001 9.38793 13.791 10.9419 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 6.01542 5.73065 4.54209 9.38793 13.791 12.4605 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 8.79625 5.7099 4.47399 9.91518 13.5373 9.40662 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 9.9609 5.7099 13.5475 9.91518 11.4765 9.40662 numMergedOcc 0
