0 mol 18 unq 0 iso 0 dist 5.03976 8.35401 6.44368 11.8312 9.35863 10.1606 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 8.35401 6.44368 5.34733 5.04478 11.0988 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.5209 7.48994 6.49199 9.26879 7.11053 10.1837 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.4815 6.887 10.4688 10.4158 5.91068 10.8709 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 5.77643 5.51172 4.22398 8.87768 8.38156 10.8709 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 5.77643 5.51172 4.22398 4.71262 7.79336 7.01952 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 5.77643 5.51172 4.22398 4.28439 7.08559 4.58552 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 7.13638 8.26586 4.39445 6.45595 8.13051 10.4875 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 7.13638 9.76234 10.7557 6.45595 8.13051 14.1301 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.11013 8.52697 4.1859 3.89377 6.52939 8.64934 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.11013 9.66612 6.90535 3.89377 6.52939 11.1204 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 9.77482 5.20001 6.95589 11.119 9.94053 12.9113 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.33375 9.13631 11.3936 9.88169 5.73203 9.54071 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.33375 9.13631 11.3936 11.8593 6.57379 13.1518 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 8.06229 9.13631 13.7562 9.40104 5.06715 15.5712 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 6.66451 6.76896 4.23789 3.75935 5.41078 7.78784 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 6.76894 7.75041 6.81586 3.99818 7.25621 10.0968 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.6925 9.27411 6.24057 6.49084 5.461 10.0722 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 8.6925 5.81317 5.9858 6.49084 5.461 7.90657 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 5.02756 8.15661 4.03073 6.77896 8.98681 13.0062 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 8.94219 7.9002 3.92979 12.3965 5.93063 9.81207 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 7.40764 9.79864 6.80416 5.47357 8.24424 9.01338 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 7.40764 9.79864 6.80416 5.47592 7.0942 10.4838 numMergedOcc 0
23 mol 233 unq 2 iso 0 dist 7.40764 9.79864 6.80416 3.67394 6.01775 10.3829 numMergedOcc 0
