0 mol 27 unq 0 iso 0 dist 8.11206 7.56229 10.8529 6.78936 10.1896 3.39295 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.11206 9.94082 3.71141 6.78936 10.1896 13.5146 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.55901 9.03018 15.1607 5.91068 4.22398 11.0471 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.90952 8.36175 7.43297 6.52887 8.83983 12.1616 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.90952 8.36175 7.43297 8.35444 6.61741 6.05712 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 7.99631 9.79579 4.29029 8.0168 6.04071 9.43951 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 6.40036 9.79579 11.2787 8.0168 5.65471 9.43951 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 6.40036 9.6234 11.5147 7.65255 5.78043 9.6129 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 8.55681 6.58667 9.95584 4.26972 6.37052 4.34041 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 9.79554 6.21271 10.6988 8.62366 12.9142 3.40693 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 9.79554 6.21271 10.6988 9.44973 12.5859 4.26173 numMergedOcc 0
11 mol 173 unq 2 iso 0 dist 9.79554 6.21271 10.6988 6.52508 14.5434 5.49842 numMergedOcc 0
12 mol 173 unq 3 iso 0 dist 9.79554 8.94895 16.727 8.62366 12.9142 6.40851 numMergedOcc 0
13 mol 173 unq 4 iso 0 dist 9.79554 8.94895 16.727 9.44973 12.5859 7.37 numMergedOcc 0
14 mol 173 unq 5 iso 0 dist 9.79554 8.94895 16.727 6.52508 14.5434 3.39015 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 6.94853 8.05878 6.08214 6.15777 4.00626 4.16585 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 6.152 9.15202 5.45009 9.8009 5.99236 6.03131 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 7.95168 6.38497 5.45009 7.79951 12.0749 13.4488 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 6.03988 6.35527 4.06684 9.66641 5.91806 9.53748 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 6.03988 6.35527 4.06684 9.26575 5.04088 7.49757 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 6.75716 6.59109 9.51922 9.19905 9.96809 3.58812 numMergedOcc 0
