0 mol 5 unq 0 iso 0 dist 6.04331 11.1264 9.32374 4.07788 9.21695 14.1834 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.10646 8.13142 6.55283 4.91484 8.8018 5.63976 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 7.95705 10.4277 6.55283 10.4607 8.8018 5.63976 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.26289 7.10392 5.8101 5.998 9.32771 4.64851 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 8.83855 10.6775 8.60686 8.49615 7.02709 5.13248 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 9.10985 12.2606 9.61901 8.29763 9.13454 5.11807 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 4.78944 10.0455 9.68359 3.94206 6.60331 10.652 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 4.78944 10.0455 9.68359 7.58348 9.22311 17.2803 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 4.80778 6.70307 9.09598 13.46 8.75049 16.7953 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 6.58803 11.4625 9.09598 13.7612 8.75049 16.7953 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 9.96967 17.0957 9.09598 12.9605 8.75049 16.7953 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 6.31523 12.974 9.09598 4.64588 8.75049 16.7953 numMergedOcc 0
12 mol 144 unq 0 iso 0 dist 6.63308 12.3102 8.49708 4.6812 5.81292 10.6591 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.49856 9.97572 7.7209 4.27736 6.62757 9.72213 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.34835 9.79045 8.71936 10.176 9.28036 5.87924 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.71602 12.6184 9.3959 4.94882 9.16817 14.7012 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.05875 6.438 6.25473 7.65735 7.06087 6.33863 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 6.32455 6.23285 9.0301 12.3975 9.207 10.0672 numMergedOcc 0
18 mol 282 unq 0 iso 0 dist 6.96758 4.77519 7.36206 12.271 8.76788 8.66293 numMergedOcc 0
