0 mol 28 unq 0 iso 0 dist 9.32784 10.9344 5.75809 18.3969 13.5265 8.53424 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.32784 10.9344 5.75809 15.4395 12.1819 7.08766 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.32784 10.9344 5.75809 13.5663 9.28235 4.82199 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.06519 3.42062 7.32699 6.77802 9.58381 9.05737 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.54027 3.42062 6.45933 6.77802 7.61744 9.05737 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 8.06502 9.26191 6.50622 11.8354 6.75646 8.42738 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.06502 6.42604 4.45433 10.0726 5.80317 8.61143 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 8.06502 6.42604 4.45433 11.8354 6.75646 8.79979 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 5.09725 6.02092 7.60619 6.29267 4.91617 4.15789 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 5.09725 6.02092 7.60619 8.85201 8.05938 4.808 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 6.05736 9.87425 6.82267 14.3849 10.1108 6.55227 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 8.34007 6.88393 6.82267 11.4135 10.1108 6.55227 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 5.50402 10.2696 7.57472 9.66667 9.45125 4.88514 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 7.2409 3.35238 8.84926 10.7896 13.164 8.25768 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 7.2409 3.35238 8.84926 10.5829 11.3679 8.71702 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 8.70668 10.689 8.16646 19.6128 16.5297 9.37533 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 8.36606 3.84631 9.95907 11.2481 12.7022 8.65645 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 8.36606 3.84631 9.95907 8.00223 6.27598 6.85902 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.10646 9.35225 5.04072 10.2981 7.27943 7.83056 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 8.25961 6.41178 5.22629 6.45095 6.44449 7.83831 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.11407 9.8348 9.33601 13.1238 11.6748 7.31132 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 9.91812 5.88619 6.61811 5.2862 7.60413 5.6964 numMergedOcc 0
