0 mol 22 unq 0 iso 0 dist 7.74523 8.28901 5.70422 4.62118 8.0931 11.2147 numMergedOcc 0
1 mol 22 unq 1 iso 0 dist 6.90519 8.28901 4.69565 4.62118 9.109 11.2147 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.32132 8.23292 5.04899 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 7.2878 9.05547 6.85766 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 5.8166 6.85083 6.47721 7.2878 9.05547 11.9709 numMergedOcc 0
5 mol 66 unq 0 iso 0 dist 7.1612 8.04639 6.43842 5.89221 8.31793 12.4286 numMergedOcc 0
6 mol 66 unq 1 iso 0 dist 7.1612 7.69019 5.95767 5.89221 8.31793 8.96624 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.4595 9.24515 7.5732 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 5.66196 6.06543 8.47567 6.4595 9.24515 10.1027 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 8.69043 9.69673 12.2929 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 6.5815 9.63302 8.62381 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 6.5114 9.78456 9.18721 5.05392 7.21902 13.9616 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 numMergedOcc 0
15 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 7.53367 9.35182 11.0703 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 7.48422 9.36307 9.31746 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.98221 8.08787 9.13357 9.81613 9.08672 12.8546 numMergedOcc 0
18 mol 189 unq 0 iso 0 dist 9.20296 9.58744 6.36139 6.67182 8.57361 10.4329 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 12.0915 7.24395 14.3166 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 11.4345 7.77535 16.7691 numMergedOcc 0
