0 mol 26 unq 0 iso 0 dist 5.497 5.11733 6.7142 8.42581 5.45023 7.90721 6.79475 5.39199 8.96682 4.39827 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.24515 6.96883 6.13351 8.19733 5.14532 6.41793 8.98219 3.91611 5.27182 6.3982 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.47855 5.88718 6.13351 9.95025 5.14532 6.41793 7.30265 3.91611 5.27182 6.3982 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 9.63599 8.68431 6.5551 13.8091 10.6438 8.04168 6.52939 9.51372 8.7515 9.34648 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.01743 4.47084 6.5551 12.4339 10.6438 8.04168 11.9367 9.51372 8.7515 9.34648 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 5.03173 4.67929 7.77089 7.20953 4.22355 7.44838 13.1083 13.4342 9.17843 9.94027 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 6.97487 5.43382 5.06564 12.4241 6.60479 8.612 14.6265 10.0079 9.29944 6.78032 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 6.46089 4.38322 5.06564 7.88655 6.60479 8.612 10.55 10.0079 9.29944 6.78032 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 9.82588 4.18074 9.24936 9.79691 11.4252 7.87972 9.32333 5.66395 6.396 8.68163 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 7.69296 6.2381 5.31416 7.39624 4.23527 8.21997 10.1796 3.94038 8.25329 6.28124 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 7.73748 6.24324 7.7086 7.29542 6.59663 7.8744 11.7254 6.67492 9.3502 6.05548 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 7.57454 4.09934 8.91971 7.1372 4.59123 9.43618 12.0306 15.624 8.85955 14.9695 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 7.57454 4.09934 8.91971 7.1372 4.59123 9.43618 7.79951 12.8337 6.09335 11.2819 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 7.31773 4.47008 8.97952 9.31673 5.92143 9.11454 9.85304 10.6687 6.03081 10.0222 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 7.31773 4.47008 8.97952 9.31673 5.92143 9.11454 10.6744 10.6919 7.41433 6.89973 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 8.85779 4.42663 5.61969 6.94131 9.76492 5.4307 9.35749 10.5462 9.02537 6.87067 numMergedOcc 0
