0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 14.1502 8.05213 8.73067 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 7.12852 4.74747 7.3022 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 8.27156 5.40878 4.74544 4.89196 5.49555 6.04903 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.56181 5.40109 9.97159 11.6368 5.3948 9.32552 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.8079 13.832 6.95572 15.3983 9.32974 6.72712 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.8079 13.832 6.95572 10.8573 6.99832 5.39745 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 8.3558 10.2731 6.95572 14.7696 9.32974 6.72712 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 8.3558 10.2731 6.95572 13.8802 6.99832 5.39745 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 8.84017 6.84011 11.5339 5.31367 8.809 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 6.71345 8.84017 6.84011 13.6899 8.88748 5.79343 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.02525 7.05454 6.29233 6.35364 5.15767 5.14819 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 7.02525 4.95023 5.42406 6.35364 5.15767 6.84245 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 5.05981 9.22232 4.95674 12.0863 8.21165 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.66715 17.5205 9.22661 12.7291 4.68409 6.51868 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.66715 15.4908 7.56378 12.7291 4.68409 7.34698 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 8.95433 13.7968 9.22232 16.7534 12.0863 8.21165 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 8.95433 12.0166 9.22661 9.59094 4.68409 6.51868 numMergedOcc 0
17 mol 133 unq 5 iso 0 dist 8.95433 5.14992 7.56378 9.59094 4.68409 7.34698 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.79157 12.2847 9.94764 5.98435 6.74887 8.55616 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.79157 12.2847 9.94764 11.6044 6.17103 8.73604 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 13.5786 10.5753 9.06217 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.09874 5.06341 6.22122 10.0904 5.88819 7.13252 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.74465 13.5125 6.59025 16.0518 7.07409 6.32777 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.77347 10.0244 8.73217 18.2422 11.7299 9.84492 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.24099 5.54913 8.10214 13.2334 12.0548 9.33696 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 6.56775 6.99274 6.95126 10.8239 6.43692 7.95766 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 7.8128 12.5723 9.55668 11.945 4.65302 7.95766 numMergedOcc 0
27 mol 237 unq 0 iso 0 dist 9.59483 14.3756 6.99315 13.8767 10.1861 7.55103 numMergedOcc 0
28 mol 237 unq 1 iso 0 dist 7.77366 4.61626 9.16003 11.021 13.7089 9.27395 numMergedOcc 0
29 mol 237 unq 2 iso 0 dist 8.42717 8.63433 6.99315 14.9995 10.1861 7.55103 numMergedOcc 0
