0 mol 2 unq 0 iso 0 dist 7.12914 8.26052 6.47123 9.39919 9.8324 13.3672 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 6.40459 4.69173 6.70655 7.06929 7.89217 4.91776 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 6.40459 4.69173 6.70655 5.80953 6.99733 8.54255 numMergedOcc 0
3 mol 5 unq 2 iso 0 dist 8.58084 11.6381 6.70655 13.0288 7.89217 4.91776 numMergedOcc 0
4 mol 5 unq 3 iso 0 dist 8.58084 11.6381 6.70655 7.18062 6.99733 8.54255 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 9.36538 5.56533 5.38703 9.14826 5.41248 3.69663 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 7.83092 7.06257 7.17889 9.47356 6.82081 4.41085 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 7.83092 6.15799 8.38803 9.47356 6.82081 10.3951 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.4343 6.5214 9.04514 4.62799 9.79657 7.35749 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 7.6104 10.5201 6.77845 14.0631 7.9309 5.83828 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 7.6104 7.36012 5.48555 14.0631 7.9309 7.62986 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 7.6104 12.5239 5.39805 14.0631 7.9309 3.52321 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 5.57391 6.27172 5.61946 5.77364 4.82346 5.36117 numMergedOcc 0
13 mol 99 unq 1 iso 0 dist 5.57391 6.27172 5.61946 10.4509 8.07233 7.21001 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.13917 11.0718 9.56319 5.08182 5.92836 6.70307 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 9.13917 17.2439 9.73038 5.08182 5.92836 12.974 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 6.53862 4.77272 5.84909 7.587 9.82274 10.3667 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 6.53862 4.77272 5.84909 8.82521 9.02712 5.91102 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.80787 14.9825 8.03695 8.75166 9.68937 12.5934 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 8.80787 14.9825 8.03695 4.65418 6.3981 11.6484 numMergedOcc 0
20 mol 172 unq 0 iso 0 dist 8.26094 6.92884 8.03804 10.209 7.77643 8.4248 numMergedOcc 0
21 mol 172 unq 1 iso 0 dist 8.26094 6.92884 8.03804 11.546 4.90175 8.74106 numMergedOcc 0
22 mol 173 unq 0 iso 0 dist 8.68755 8.12636 6.60418 4.37633 8.32987 10.39 numMergedOcc 0
23 mol 173 unq 1 iso 0 dist 8.68755 8.12636 6.60418 10.0585 8.44321 11.8927 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 9.99717 10.8621 6.97662 10.9092 7.0412 5.60637 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.66923 6.89134 5.83514 10.2699 7.75366 5.12308 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 8.0367 15.733 9.21409 14.5151 8.64941 8.53302 numMergedOcc 0
27 mol 247 unq 1 iso 0 dist 8.0367 17.1904 9.17812 14.5151 8.64941 9.26852 numMergedOcc 0
28 mol 247 unq 2 iso 0 dist 6.63325 12.9101 9.21409 9.2034 8.64941 8.53302 numMergedOcc 0
29 mol 247 unq 3 iso 0 dist 6.63325 7.97824 9.17812 9.2034 8.64941 9.26852 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.7368 7.85119 9.38187 4.64631 7.58907 9.43796 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.7368 7.85119 9.38187 4.64631 7.58907 9.43796 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.7368 7.85119 9.38187 4.64631 7.58907 9.43796 numMergedOcc 0
