0 mol 26 unq 0 iso 0 dist 9.01993 16.0115 9.82851 10.9645 5.29055 8.97754 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.69823 11.1749 7.1829 13.9518 8.13327 7.70645 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.44761 8.24064 9.87699 6.09085 5.75753 8.71074 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 5.55446 3.71942 5.35711 5.32773 3.84573 4.30875 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 5.53978 11.4948 6.90583 13.0371 9.84473 5.95801 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 5.53978 4.98187 6.75593 13.0371 9.84473 9.92715 numMergedOcc 0
6 mol 169 unq 0 iso 0 dist 9.03552 6.399 7.85698 12.9325 7.40692 7.65903 numMergedOcc 0
7 mol 169 unq 1 iso 0 dist 5.77897 3.61063 5.41121 5.30818 3.95773 4.11374 numMergedOcc 0
8 mol 169 unq 2 iso 0 dist 5.77897 6.399 6.35799 12.9325 9.68109 7.65903 numMergedOcc 0
9 mol 169 unq 3 iso 0 dist 8.59976 15.445 7.85698 15.7336 7.40692 7.65903 numMergedOcc 0
10 mol 169 unq 4 iso 0 dist 9.71763 12.9917 5.41121 8.89822 3.95773 4.11374 numMergedOcc 0
11 mol 169 unq 5 iso 0 dist 9.71763 15.445 6.35799 15.7336 9.68109 7.65903 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 6.71675 9.24858 7.02762 8.09403 4.67256 5.23187 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.41708 9.15827 8.72743 13.268 6.18065 8.92135 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.0685 4.59453 8.2241 8.95209 3.87082 9.4366 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 6.32542 3.30102 5.59832 6.32553 5.28417 4.97301 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.90717 6.35783 9.06389 5.56977 3.91276 8.7434 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 5.88992 5.14513 8.4493 8.28155 9.98266 6.19602 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 5.19677 5.58323 8.4493 10.084 9.98266 6.19602 numMergedOcc 0
19 mol 217 unq 2 iso 0 dist 8.94906 10.2049 8.4493 15.167 9.98266 6.19602 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 7.90349 5.7279 8.73715 6.92276 5.2878 8.60314 numMergedOcc 0
