0 mol 21 unq 0 iso 0 dist 9.93488 12.8031 8.85347 13.4621 7.08873 7.30688 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 9.93488 12.8031 8.85347 18.4312 11.1907 6.70786 numMergedOcc 0
2 mol 21 unq 2 iso 0 dist 9.93488 12.8031 8.85347 18.3344 9.73407 8.16395 numMergedOcc 0
3 mol 21 unq 3 iso 0 dist 7.88429 10.7179 8.85347 6.29808 7.08873 7.30688 numMergedOcc 0
4 mol 21 unq 4 iso 0 dist 7.88429 10.7179 8.85347 15.119 11.1907 6.70786 numMergedOcc 0
5 mol 21 unq 5 iso 0 dist 7.88429 10.7179 8.85347 13.9352 9.73407 8.16395 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.13365 11.7903 6.85331 13.7266 5.69214 8.14598 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 6.46781 5.39032 8.86547 8.95116 6.37474 7.17698 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 6.46781 5.39032 8.86547 6.12374 6.10572 4.74069 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 6.6657 7.64564 9.05728 11.8698 9.49478 6.34215 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.32453 8.29882 4.83274 8.25047 6.77898 6.97936 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 9.32453 9.77859 7.89214 8.25047 6.77898 5.00466 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.45835 10.87 9.99029 14.8427 6.9648 9.71315 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.29673 10.0451 7.15203 13.5739 6.9945 9.7105 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 6.31556 6.42399 8.44823 11.3725 9.85734 6.75471 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.50454 18.3782 9.63295 14.976 5.93724 8.39573 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.80581 7.11843 9.63295 11.369 5.93724 8.39573 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.93717 9.8378 7.30244 17.2836 14.9028 8.63649 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.31858 4.69752 8.81059 13.0953 13.987 9.6327 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 5.71851 4.69752 9.12006 13.0953 15.8856 9.6327 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.63115 7.34826 5.17586 13.5137 8.4236 7.03656 numMergedOcc 0
