0 mol 9 unq 0 iso 0 dist 6.3716 5.18338 6.22406 9.00459 7.38017 11.8692 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.78224 7.61139 6.83335 10.7399 9.39046 13.0023 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.78224 6.54552 10.9977 10.7399 9.39046 15.8564 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 5.97521 9.10473 7.69713 5.40863 8.40483 14.008 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.97521 9.20827 5.41737 5.40863 8.40483 13.2585 numMergedOcc 0
5 mol 29 unq 0 iso 0 dist 5.92844 7.71617 6.0516 6.2924 8.94936 11.1362 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.14324 9.23033 9.05723 6.6796 9.89546 6.6263 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 9.23087 6.37273 5.69088 8.66168 9.18809 9.8703 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.00779 5.79157 7.31451 6.71593 5.62694 10.2939 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.00779 7.91605 8.97954 6.71593 5.62694 5.5087 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.00779 6.43707 5.33414 6.71593 5.62694 6.08682 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 7.54915 6.2454 9.98324 13.8798 8.77199 17.2166 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.54915 6.2454 9.98324 15.5426 8.81824 17.1347 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 9.01604 5.60118 11.1523 12.7166 9.13454 14.8434 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 8.07119 9.63281 4.13685 3.97609 8.10448 8.28795 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 7.33646 9.17001 5.83338 13.5588 8.82676 11.5667 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 7.33646 9.17001 5.83338 11.1351 8.17522 7.79505 numMergedOcc 0
17 mol 127 unq 2 iso 0 dist 7.33646 9.17001 5.83338 6.08871 8.14341 7.36199 numMergedOcc 0
18 mol 127 unq 3 iso 0 dist 7.33646 9.17001 5.83338 5.35462 6.54744 11.2944 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 5.71819 9.6093 12.1319 5.12592 9.62822 13.5601 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 5.71819 9.6093 12.1319 6.57154 7.03546 13.9611 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 7.44186 5.83021 6.40912 9.0689 7.03546 11.3281 numMergedOcc 0
22 mol 206 unq 3 iso 0 dist 7.44186 5.83021 6.40912 14.4501 9.62822 15.8401 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.78286 9.11574 15.6048 5.93275 5.62219 14.5757 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 6.65093 8.38773 6.08582 10.0509 7.68645 4.33238 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 6.65093 8.38773 6.08582 5.48556 5.75017 7.83604 numMergedOcc 0
26 mol 219 unq 2 iso 0 dist 6.65093 8.38773 6.08582 10.9246 6.12768 11.734 numMergedOcc 0
27 mol 219 unq 3 iso 0 dist 6.65093 8.38773 6.08582 13.5876 7.19159 10.9627 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.5546 9.00657 8.98106 4.93539 9.18589 11.1846 numMergedOcc 0
29 mol 283 unq 0 iso 0 dist 5.7378 9.4181 4.24789 5.91336 8.25636 12.138 numMergedOcc 0
30 mol 283 unq 1 iso 0 dist 7.15632 5.05882 4.24789 12.4228 8.25636 12.138 numMergedOcc 0
