0 mol 44 unq 0 iso 0 dist 6.11574 9.1276 9.9674 10.3047 9.16411 12.2847 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.96522 9.63348 5.19429 12.2276 7.40997 9.91668 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 4.80247 7.89184 3.54989 7.79856 7.03635 9.72022 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 4.80247 5.91948 4.67834 7.79856 7.03635 5.07125 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 7.08934 8.0852 8.69327 9.57283 9.27256 7.86766 numMergedOcc 0
5 mol 162 unq 1 iso 0 dist 7.08934 8.83222 6.65154 9.57283 9.27256 10.768 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 4.59484 8.09699 5.35456 5.07688 5.14185 8.999 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 8.49577 9.07247 13.4486 6.30834 9.66132 12.8577 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.02053 7.18098 3.73699 10.2985 8.23349 11.1106 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 6.02053 7.18098 3.73699 12.9288 8.7062 10.736 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 7.98724 8.43638 7.52135 3.85144 4.72269 5.50658 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 7.10828 6.0567 7.26668 6.96785 7.07461 11.6471 numMergedOcc 0
12 mol 240 unq 0 iso 0 dist 6.50985 9.42898 8.76686 10.2226 9.28676 17.2228 numMergedOcc 0
13 mol 240 unq 1 iso 0 dist 6.50985 5.53403 5.34658 10.2226 9.28676 11.9487 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 8.13605 9.68232 7.02274 5.79677 7.30709 12.3456 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 8.13605 8.29663 4.58993 5.79677 7.30709 9.50634 numMergedOcc 0
16 mol 273 unq 0 iso 0 dist 7.85797 8.28809 7.90253 6.9258 9.21774 13.8644 numMergedOcc 0
17 mol 281 unq 0 iso 0 dist 7.76659 9.68114 5.14196 7.48529 8.81001 12.4065 numMergedOcc 0
