0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 7.1011 7.33768 4.32034 17.544 10.0952 8.86116 12.9284 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.13365 10.5449 6.86014 10.8208 9.01567 8.67951 17.544 10.0952 8.86116 13.4393 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.13365 10.5449 6.86014 13.3998 7.29868 8.52463 17.544 10.0952 8.86116 8.60554 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.80849 13.9888 8.86116 14.1707 8.60554 8.52463 16.8105 10.0952 6.86014 7.29868 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.80849 13.9888 8.86116 6.3045 8.44664 10.971 16.8105 10.0952 6.86014 16.1126 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.80849 13.9888 8.86116 9.47767 9.44691 13.4893 16.8105 10.0952 6.86014 15.8209 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 12.8271 8.95682 8.38399 8.99509 5.06502 5.73819 12.3649 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 12.8271 8.95682 8.38399 5.73331 6.45462 8.93915 14.3789 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 5.83497 9.39864 4.65335 11.7388 6.87425 7.47541 10.0796 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 5.83497 9.39864 4.65335 11.7649 10.1164 7.66905 7.54568 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.13273 14.1434 8.03644 15.7943 9.49454 11.4333 15.9036 8.41707 7.27724 12.1092 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 10.8332 9.36851 10.7293 14.4108 9.05135 9.61051 16.0242 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.47346 6.90896 5.83384 5.75407 4.97175 7.29399 14.4108 9.05135 9.61051 13.4182 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 5.42142 9.97654 4.34568 6.29975 6.69554 9.52634 6.66772 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.53153 5.78974 9.91388 5.42142 9.97654 4.34568 8.29673 6.761 7.24514 7.71248 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 6.29975 5.78974 9.52634 5.42142 6.66772 4.34568 6.53153 6.69554 9.91388 9.97654 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 6.29975 5.78974 9.52634 5.42142 6.66772 4.34568 8.29673 7.6656 7.24514 7.71248 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 8.29673 5.78974 7.24514 5.42142 7.71248 4.34568 6.53153 6.761 9.91388 9.97654 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 8.29673 5.78974 7.24514 5.42142 7.71248 4.34568 6.29975 7.6656 9.52634 6.66772 numMergedOcc 0
19 mol 133 unq 6 iso 0 dist 8.29673 9.35671 8.22656 5.42142 7.71248 10.6025 11.5292 5.61668 6.82262 12.4749 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 6.15536 5.9176 5.63555 15.3001 8.85576 7.81386 10.4943 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 14.7795 6.41453 7.20191 15.3001 8.85576 7.81386 9.39829 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 10.5886 8.90963 8.91338 17.347 13.2049 8.03334 16.082 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 10.5886 8.90963 9.81073 11.5431 10.1912 9.09537 18.0578 numMergedOcc 0
24 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 11.4522 9.39829 7.20191 13.9818 8.85576 7.63312 6.41453 numMergedOcc 0
25 mol 181 unq 5 iso 0 dist 8.80581 10.209 7.63312 10.5065 5.9176 5.63555 14.9028 8.85576 7.81386 10.4943 numMergedOcc 0
26 mol 181 unq 6 iso 0 dist 8.80581 10.209 7.63312 6.04759 6.41453 7.20191 14.9028 8.85576 7.81386 9.39829 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 4.45301 5.44002 10.3603 13.1824 7.38516 6.03031 12.3113 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 4.45301 5.44002 10.3603 19.8591 13.8543 7.80463 17.9798 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 8.91883 6.16414 6.45859 7.51923 5.63422 9.774 7.75885 numMergedOcc 0
30 mol 206 unq 1 iso 0 dist 7.94694 5.1071 7.7366 8.83227 7.33701 4.40897 7.51923 5.63422 9.774 11.4872 numMergedOcc 0
31 mol 206 unq 2 iso 0 dist 7.94694 5.1071 7.7366 10.6714 8.0871 7.62219 7.51923 5.63422 9.774 13.2041 numMergedOcc 0
32 mol 206 unq 3 iso 0 dist 7.51923 5.1071 9.774 8.91883 7.75885 6.45859 7.94694 5.63422 7.7366 6.16414 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 14.7836 9.81425 4.46561 8.9413 5.88703 9.45496 13.293 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 14.7836 9.81425 10.641 8.9413 5.88703 6.7625 13.293 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 10.5885 9.81425 4.46561 11.5469 5.88703 9.45496 13.293 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 10.5885 9.81425 10.641 11.5469 5.88703 6.7625 13.293 numMergedOcc 0
