0 mol 8 unq 0 iso 0 dist 7.58816 12.0906 7.77271 13.2172 7.0822 6.26865 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.6082 9.76176 6.76514 16.8661 11.483 7.48825 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 9.24687 8.89775 6.76514 11.584 11.483 7.48825 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 9.77734 10.1799 9.64602 12.532 5.41668 7.17699 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.66843 6.13812 7.62709 13.4793 10.82 8.59109 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 8.66843 6.13812 7.62709 11.1486 10.9036 8.13782 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 5.68841 5.85924 7.37607 8.68726 6.13182 6.5096 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 7.75769 9.33131 7.37607 11.9332 6.13182 6.5096 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 9.75733 7.89273 6.88394 13.674 4.77689 8.47626 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 7.09617 11.0363 8.86001 13.7132 11.6733 6.6925 numMergedOcc 0
10 mol 99 unq 1 iso 0 dist 7.09617 11.0363 8.86001 12.8297 7.52543 7.12746 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.51041 6.33235 9.21278 9.00025 3.81023 6.74517 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.99964 4.24915 7.88787 9.15368 9.91634 8.20656 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.99964 4.24915 7.88787 7.96182 13.2318 9.40622 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 6.93144 4.20499 7.88787 11.6365 9.91634 8.20656 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 6.93144 4.20499 7.88787 13.0537 13.2318 9.40622 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 7.04782 6.39513 7.88787 12.4394 9.91634 8.20656 numMergedOcc 0
17 mol 181 unq 5 iso 0 dist 7.04782 6.39513 7.88787 15.301 13.2318 9.40622 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.21479 6.17401 8.94854 13.0193 9.32919 9.86861 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.04647 6.93865 9.89613 10.1897 5.06637 8.49866 numMergedOcc 0
