0 mol 69 unq 0 iso 0 dist 8.53329 9.03693 9.32184 12.6188 8.90763 7.913 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.50028 5.19187 7.45777 14.2755 8.31425 10.7405 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 8.98949 12.1136 6.08846 9.69816 6.27699 5.77183 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 8.98949 15.0398 9.19171 9.69816 6.27699 5.65976 numMergedOcc 0
4 mol 181 unq 0 iso 0 dist 7.21606 13.2658 9.40718 10.8987 9.66153 10.8066 numMergedOcc 0
5 mol 198 unq 0 iso 0 dist 9.83891 13.6481 7.86075 9.80027 8.26735 4.9491 numMergedOcc 0
6 mol 203 unq 0 iso 0 dist 9.52542 10.3525 6.84619 6.89397 7.06171 5.76556 numMergedOcc 0
7 mol 203 unq 1 iso 0 dist 9.80432 12.8357 6.84619 7.87553 7.06171 5.76556 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 7.52692 4.89826 6.62514 7.34732 9.85636 4.82283 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 7.52692 5.5367 6.20044 7.34732 9.85636 10.7478 numMergedOcc 0
10 mol 204 unq 2 iso 0 dist 7.52692 9.88124 9.41996 7.34732 9.85636 4.50914 numMergedOcc 0
11 mol 204 unq 3 iso 0 dist 9.7707 11.9869 6.62514 10.8143 9.85636 4.82283 numMergedOcc 0
12 mol 204 unq 4 iso 0 dist 9.7707 9.42629 6.20044 10.8143 9.85636 10.7478 numMergedOcc 0
13 mol 204 unq 5 iso 0 dist 9.7707 7.50076 9.41996 10.8143 9.85636 4.50914 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.61789 5.87078 8.05949 11.7692 9.80817 7.35484 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.92349 11.12 5.25149 7.16053 9.51136 13.2522 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 9.82101 9.17371 8.52996 5.92917 9.8349 4.1635 numMergedOcc 0
17 mol 226 unq 1 iso 0 dist 9.82101 9.17371 8.52996 10.3185 6.72708 9.6805 numMergedOcc 0
18 mol 226 unq 2 iso 0 dist 9.82101 9.17371 8.52996 13.9388 8.01046 6.06315 numMergedOcc 0
19 mol 255 unq 0 iso 0 dist 8.01663 9.80877 7.57779 5.62511 6.25627 8.5214 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.12646 4.91933 7.83793 9.36896 7.60723 10.1105 numMergedOcc 0
