0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 13.3998 7.29868 8.52463 8.60554 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 21.5064 16.1126 10.971 8.44664 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 22.0257 15.8209 13.4893 9.44691 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 18.2805 12.9284 4.32034 7.33768 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 18.6042 13.4393 8.67951 9.01567 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 14.1707 8.60554 8.52463 7.29868 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 12.8271 12.3649 8.38399 8.95682 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 12.8271 14.3789 8.38399 8.95682 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.46609 12.4802 6.43294 13.7633 5.67502 8.7531 16.1845 10.1323 7.04075 9.90939 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7388 6.87425 7.47541 17.5436 14.4382 13.5116 9.82915 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 5.83497 9.39864 4.65335 7.54568 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 15.8604 12.1092 11.4333 9.49454 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 16.2905 12.1092 11.4333 9.49454 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.53153 5.78974 9.91388 6.29975 6.69554 9.52634 5.42142 9.97654 4.34568 6.66772 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.53153 5.78974 9.91388 8.29673 6.761 7.24514 5.42142 9.97654 4.34568 7.71248 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 6.29975 5.78974 9.52634 6.53153 6.69554 9.91388 5.42142 6.66772 4.34568 9.97654 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 6.29975 5.78974 9.52634 8.29673 7.6656 7.24514 5.42142 6.66772 4.34568 7.71248 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 8.29673 5.78974 7.24514 6.53153 6.761 9.91388 5.42142 7.71248 4.34568 9.97654 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 8.29673 5.78974 7.24514 6.29975 7.6656 9.52634 5.42142 7.71248 4.34568 6.66772 numMergedOcc 0
19 mol 133 unq 6 iso 0 dist 8.94909 6.80087 8.00618 12.8006 11.965 6.29155 8.11294 10.9061 4.54648 6.16242 numMergedOcc 0
20 mol 133 unq 7 iso 0 dist 8.94909 6.80087 8.00618 9.73536 7.79672 6.80239 8.11294 10.9061 4.54648 5.87634 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 15.3964 8.16421 6.57069 13.033 10.4182 8.29015 9.77896 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 14.7795 6.41453 7.20191 9.39829 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 18.0332 12.4878 4.43096 6.46704 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 12.3181 10.6908 8.04639 6.59025 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 15.5511 10.4943 5.63555 5.9176 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 11.4522 9.39829 7.20191 6.41453 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 6.04759 6.41453 7.20191 9.39829 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 7.51923 5.63422 9.774 8.91883 6.16414 6.45859 7.75885 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 8.91883 7.75885 6.45859 6.16414 numMergedOcc 0
30 mol 206 unq 2 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 8.83227 11.4872 4.40897 7.33701 numMergedOcc 0
31 mol 206 unq 3 iso 0 dist 7.51923 5.1071 9.774 7.94694 5.63422 7.7366 10.6714 13.2041 7.62219 8.0871 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 14.7836 13.293 4.46561 9.81425 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 14.7836 13.293 10.641 9.81425 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 14.9402 13.293 4.46561 9.81425 numMergedOcc 0
35 mol 234 unq 3 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 14.9402 13.293 10.641 9.81425 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 11.1218 7.26417 6.60405 12.2121 11.2102 5.63675 7.21311 numMergedOcc 0
