0 mol 2 unq 0 iso 0 dist 5.69072 4.69809 6.47123 13.6358 13.3672 9.8324 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.72278 9.88342 5.07106 11.9025 4.85885 7.13608 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 8.72278 9.88342 5.07106 13.0578 9.43074 9.46895 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 8.72278 8.14778 4.92166 11.9025 4.85885 4.95327 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 5.93729 5.4204 9.17447 9.06073 6.3575 8.47518 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.19406 9.72598 8.18251 10.8654 7.35107 8.32948 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 7.19406 4.50032 5.02642 10.8654 7.35107 7.43338 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.07638 4.49648 8.73093 10.9145 8.84457 8.08507 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.79787 4.49648 8.02104 10.9145 10.8656 8.08507 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 9.0101 4.77004 7.41861 13.2855 7.01534 9.26231 numMergedOcc 0
10 mol 128 unq 0 iso 0 dist 9.20442 5.54195 8.83811 9.83003 6.41259 6.93718 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 9.43988 6.94063 9.1056 8.63202 7.47696 4.59484 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.91036 14.4364 6.60418 18.5641 10.39 8.32987 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 8.91036 14.4364 6.60418 16.8428 11.8927 8.44321 numMergedOcc 0
14 mol 180 unq 0 iso 0 dist 8.34083 5.25253 9.3777 9.82683 5.76764 8.2817 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 7.83389 14.4767 9.78743 15.8967 9.99333 5.83093 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 7.67675 10.4593 8.09185 13.0715 9.60101 7.98724 numMergedOcc 0
17 mol 212 unq 1 iso 0 dist 7.35349 6.60813 7.27225 13.9351 14.4351 7.98724 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 6.17749 4.56851 4.87053 8.27605 6.45821 5.17916 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 9.23127 7.33716 8.48816 14.1177 7.31626 8.89435 numMergedOcc 0
