0 mol 26 unq 0 iso 0 dist 7.2612 8.7716 9.97991 6.75443 6.38243 5.21951 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.94459 14.5129 9.48391 4.60844 8.05514 15.0868 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.76828 5.86299 8.89951 8.02989 5.17145 4.69408 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 6.2442 10.7353 9.60205 4.4368 6.3567 11.588 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.08064 5.56968 6.39075 10.9048 9.05336 10.3049 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 9.95454 10.1518 6.27462 16.9762 9.13027 14.6076 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 7.87322 5.88355 8.44479 9.92222 7.17037 6.21272 numMergedOcc 0
7 mol 173 unq 1 iso 0 dist 7.87322 14.7482 9.00002 9.92222 7.17037 10.8086 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 9.19696 12.3823 7.46207 9.77891 7.39445 14.5951 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 6.06105 13.5182 9.42463 5.30128 9.57955 16.704 numMergedOcc 0
10 mol 225 unq 1 iso 0 dist 6.06105 13.5182 9.42463 7.291 8.79277 10.6864 numMergedOcc 0
11 mol 250 unq 0 iso 0 dist 9.26007 11.9969 9.84682 9.01873 7.22664 4.59201 numMergedOcc 0
12 mol 250 unq 1 iso 0 dist 9.26007 11.9969 9.84682 3.96634 7.15762 10.7903 numMergedOcc 0
13 mol 250 unq 2 iso 0 dist 9.26007 6.96017 8.26719 9.01873 7.22664 12.7172 numMergedOcc 0
14 mol 250 unq 3 iso 0 dist 9.26007 6.96017 8.26719 3.96634 7.15762 8.25498 numMergedOcc 0
15 mol 252 unq 0 iso 0 dist 8.62351 4.43412 6.97105 7.51673 8.19529 4.3968 numMergedOcc 0
16 mol 252 unq 1 iso 0 dist 8.62351 4.43412 6.97105 9.93939 6.45396 5.75377 numMergedOcc 0
17 mol 252 unq 2 iso 0 dist 6.94319 11.5831 6.97105 10.1704 8.19529 4.3968 numMergedOcc 0
18 mol 252 unq 3 iso 0 dist 6.94319 11.5831 6.97105 7.35069 6.45396 5.75377 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.91954 14.1103 9.54836 10.6477 6.02757 8.52745 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 9.91954 14.1103 9.54836 10.998 8.67231 4.96942 numMergedOcc 0
