0 mol 24 unq 0 iso 0 dist 5.11382 4.79206 7.7447 11.8431 15.4638 7.95042 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 5.81662 8.70524 5.4713 14.9884 10.6814 9.9787 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 5.96189 10.5386 8.30921 14.6713 9.12539 9.22631 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 4.81841 3.84897 4.3439 8.13273 4.73066 8.27883 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 4.81841 3.84897 4.3439 8.29852 4.20834 7.7152 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 4.81841 5.78182 6.05855 8.13273 4.73066 5.75428 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 9.98215 3.94084 8.72957 12.1542 6.28746 9.11586 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 7.59747 4.10689 9.25023 7.2461 6.79448 8.49678 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.98134 8.3164 9.87354 7.55822 5.49724 8.28795 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.55413 14.4915 9.87354 10.5035 5.49724 8.28795 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.73302 10.5797 5.23187 13.4166 5.03539 5.96423 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.91764 5.72704 7.36794 12.779 9.11577 8.90571 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.91764 5.72704 7.36794 12.291 11.7398 6.61112 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 8.78251 12.6481 9.34653 7.09426 4.04122 7.2793 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.7917 10.2527 6.39673 14.2724 6.70898 6.74196 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.7917 9.47138 7.80676 14.2724 6.70898 8.36842 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 8.88629 6.96456 7.62991 13.8233 9.73449 7.15764 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 5.2116 12.3685 9.81261 12.8024 9.93981 7.15764 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 9.79593 3.84196 7.80473 8.95261 10.9989 8.83833 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.1697 3.65199 7.45616 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.1697 3.65199 7.45616 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.4625 8.93497 4.93516 11.1697 3.65199 7.45616 numMergedOcc 0
