0 mol 19 unq 0 iso 0 dist 7.09123 6.79758 4.44575 7.99314 9.83305 8.75001 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.74311 8.24316 12.5941 6.18197 5.66828 13.3907 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.61052 8.82919 9.17514 7.40375 9.56769 15.9146 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 9.36203 6.31934 10.8346 10.5572 4.93315 14.2412 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.65864 7.52544 10.205 4.77004 5.05941 5.73235 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.65864 8.08674 7.90785 4.77004 5.05941 7.48127 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.65864 8.33694 15.3489 4.77004 5.05941 11.1162 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.39198 7.64107 6.51973 5.2815 9.20746 11.4197 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 8.39198 7.53333 8.4153 5.2815 9.20746 6.90966 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 5.66981 7.88346 4.14823 5.57673 6.35449 5.40826 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 9.90421 7.71773 7.82577 5.21682 9.16566 10.8675 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.58058 8.9867 12.4293 15.6796 8.39237 18.7248 numMergedOcc 0
12 mol 211 unq 0 iso 0 dist 9.05403 7.49132 10.7664 4.83833 8.96942 11.3087 numMergedOcc 0
13 mol 211 unq 1 iso 0 dist 9.05403 7.49132 10.7664 8.77878 5.62685 13.5158 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 4.42722 5.62758 6.90277 10.8954 9.89918 16.0536 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 8.70984 5.50553 5.41409 10.6487 6.95552 10.3846 numMergedOcc 0
