0 mol 26 unq 0 iso 0 dist 8.42581 5.11733 7.90721 5.497 5.45023 6.7142 6.79475 4.39827 8.96682 5.39199 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.19733 6.96883 6.41793 6.24515 5.14532 6.13351 8.98219 6.3982 5.27182 3.91611 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.57165 13.0639 6.41793 13.709 5.14532 6.13351 14.1909 6.3982 5.27182 3.91611 numMergedOcc 0
3 mol 105 unq 0 iso 0 dist 7.20953 4.67929 7.44838 5.03173 4.22355 7.77089 13.1083 9.94027 9.17843 13.4342 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.82011 8.36589 5.43933 13.5414 5.91698 7.67238 13.0406 10.4065 6.96745 10.6938 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.88655 4.38322 8.612 6.46089 6.60479 5.06564 10.55 6.78032 9.29944 10.0079 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 7.88655 4.38322 8.612 10.1154 7.54337 7.5373 10.55 6.78032 9.29944 9.05366 numMergedOcc 0
7 mol 195 unq 0 iso 0 dist 9.79691 10.5776 6.34234 14.0228 6.0634 6.22742 18.1075 10.9712 8.22795 5.45812 numMergedOcc 0
8 mol 195 unq 1 iso 0 dist 9.79691 4.18074 7.87972 9.82588 11.4252 9.24936 9.32333 8.68163 6.396 5.66395 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 7.39624 6.2381 8.21997 7.69296 4.23527 5.31416 10.1796 6.28124 8.25329 3.94038 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 7.29542 6.24324 7.8744 10.8228 8.98957 6.94762 11.7254 6.05548 9.3502 5.8463 numMergedOcc 0
11 mol 225 unq 1 iso 0 dist 7.29542 6.24324 7.8744 7.73748 6.59663 7.7086 11.7254 6.05548 9.3502 6.67492 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 7.1372 4.09934 9.43618 12.2922 12.8075 9.18728 12.0306 14.9695 8.85955 8.62578 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 7.1372 4.09934 9.43618 12.2922 12.8075 9.18728 7.79951 11.2819 6.09335 10.5007 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 7.1372 4.09934 9.43618 7.57454 4.59123 8.91971 12.0306 14.9695 8.85955 15.624 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 7.1372 4.09934 9.43618 7.57454 4.59123 8.91971 7.79951 11.2819 6.09335 12.8337 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.31673 4.47008 9.11454 7.31773 5.92143 8.97952 9.85304 10.0222 6.03081 10.6687 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 9.31673 4.47008 9.11454 7.31773 5.92143 8.97952 10.6744 6.89973 7.41433 10.6919 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 6.94131 4.42663 5.4307 8.85779 9.76492 5.61969 9.35749 6.87067 9.02537 10.5462 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 6.94131 4.42663 5.4307 12.753 11.5256 9.0277 9.35749 6.87067 9.02537 11.5353 numMergedOcc 0
