0 mol 72 unq 0 iso 0 dist 6.68311 5.19407 4.7874 4.61081 4.86198 6.79423 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 9.96602 5.19407 9.35725 4.61081 8.98867 6.79423 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 8.53393 6.50622 7.12219 6.75646 13.3942 8.42738 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 8.53393 4.45433 4.85618 5.80317 10.4068 8.61143 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 8.53393 4.45433 4.85618 6.75646 13.3942 8.79979 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 5.57265 6.50622 5.34874 6.75646 7.69072 8.42738 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 5.57265 4.45433 3.68023 5.80317 10.1937 8.61143 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 5.57265 4.45433 3.68023 6.75646 7.69072 8.79979 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 6.09906 7.60619 3.83059 4.91617 5.25027 4.15789 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 6.09906 7.60619 3.83059 8.05938 4.37025 4.808 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 9.3485 6.54699 7.98263 4.80201 12.1131 8.19144 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 9.04546 8.69371 6.34994 9.05868 9.06601 4.91212 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 9.04546 8.69371 6.34994 9.16288 5.98809 9.34782 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 8.46684 9.22398 4.18693 8.51521 5.93278 5.86379 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 8.46684 9.22398 4.18693 11.3635 6.19918 6.21029 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.97349 7.43045 6.68984 5.76787 10.0825 5.60448 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 8.59098 5.78626 9.07614 7.39668 14.7334 7.97228 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 6.83046 7.99963 4.32238 9.04752 9.68695 6.09626 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.02643 8.44543 10.0874 5.37143 5.77511 8.66299 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 8.68368 8.44543 5.10494 5.37143 9.27311 8.66299 numMergedOcc 0
