0 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 5.11733 7.90721 9.78042 5.497 5.45023 4.36675 6.7142 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.57165 9.48031 5.93538 13.5954 7.99016 13.8642 13.709 5.14532 8.29421 8.20298 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.57165 9.48031 5.93538 13.0639 6.41793 11.9954 13.709 5.14532 8.29421 6.13351 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 5.52067 6.73801 6.32189 9.95354 7.56029 10.2578 6.42834 4.85777 10.1421 6.21128 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 5.52067 6.73801 6.32189 9.95354 7.56029 10.2578 9.12422 4.02147 9.41098 9.57024 numMergedOcc 0
5 mol 41 unq 2 iso 0 dist 5.52067 6.42834 4.85777 9.95354 7.56029 6.21128 9.12422 4.02147 6.79252 9.57024 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 7.88655 6.46089 6.60479 4.38322 8.612 5.06564 10.1154 7.54337 4.30566 7.5373 numMergedOcc 0
7 mol 158 unq 0 iso 0 dist 6.39981 9.6096 10.3886 9.88872 6.11331 12.8033 12.3466 10.8263 6.5476 9.97968 numMergedOcc 0
8 mol 188 unq 0 iso 0 dist 7.48284 9.33696 5.87427 6.39872 7.79115 11.506 11.4648 5.0782 9.01338 8.66624 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 9.77862 9.3402 7.50057 8.31541 5.53324 9.64441 11.6497 5.92931 9.4131 4.19371 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 9.79691 9.82588 11.4252 10.5776 6.34234 15.9401 14.0228 6.0634 15.4038 6.22742 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 7.29542 7.73748 6.59663 6.24324 7.8744 7.7086 10.8228 8.98957 5.51027 6.94762 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 7.1372 7.57454 4.59123 4.09934 9.43618 8.91971 12.2922 12.8075 11.362 9.18728 numMergedOcc 0
13 mol 273 unq 0 iso 0 dist 6.94131 8.85779 9.76492 4.42663 5.4307 5.61969 12.753 11.5256 4.4844 9.0277 numMergedOcc 0
