0 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 7.31914 8.84906 7.34452 6.42242 5.84184 8.82805 9.51443 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.70095 8.94173 7.7232 8.83047 5.75171 13.3355 8.5021 6.52918 9.59418 9.61785 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 6.0478 12.4017 5.6313 9.42982 14.2762 4.3987 5.89161 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.27009 7.9572 10.6864 6.0478 12.4017 5.6313 8.17929 4.26531 9.9849 12.4415 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 8.27009 7.9572 10.6864 6.0478 12.4017 5.6313 5.63802 6.56501 10.0069 10.8112 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 8.27009 8.64208 13.0612 6.0478 12.4017 4.72525 9.42982 14.2762 9.67324 5.89161 numMergedOcc 0
6 mol 67 unq 4 iso 0 dist 8.27009 8.64208 13.0612 6.0478 12.4017 4.72525 8.17929 4.26531 14.5039 12.4415 numMergedOcc 0
7 mol 67 unq 5 iso 0 dist 8.27009 8.64208 13.0612 6.0478 12.4017 4.72525 5.63802 6.56501 13.6485 10.8112 numMergedOcc 0
8 mol 67 unq 6 iso 0 dist 5.80736 7.9572 6.3173 6.0478 8.30757 5.6313 9.42982 7.47077 4.3987 5.89161 numMergedOcc 0
9 mol 67 unq 7 iso 0 dist 5.80736 7.9572 6.3173 6.0478 8.30757 5.6313 8.17929 5.92208 9.9849 12.4415 numMergedOcc 0
10 mol 67 unq 8 iso 0 dist 5.80736 7.9572 6.3173 6.0478 8.30757 5.6313 5.63802 4.53519 10.0069 10.8112 numMergedOcc 0
11 mol 67 unq 9 iso 0 dist 5.80736 8.64208 11.8891 6.0478 8.30757 4.72525 9.42982 7.47077 9.67324 5.89161 numMergedOcc 0
12 mol 67 unq 10 iso 0 dist 5.80736 8.64208 11.8891 6.0478 8.30757 4.72525 8.17929 5.92208 14.5039 12.4415 numMergedOcc 0
13 mol 67 unq 11 iso 0 dist 5.80736 8.64208 11.8891 6.0478 8.30757 4.72525 5.63802 4.53519 13.6485 10.8112 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.53914 7.4371 9.09837 7.73993 5.71872 11.8348 9.13614 6.12935 7.20706 10.9279 numMergedOcc 0
15 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 4.83761 6.62221 9.70339 9.18949 11.7124 14.8831 5.6462 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.19457 6.01711 6.89436 6.81707 5.04086 5.487 6.4751 9.13204 11.5561 9.18337 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 6.19457 6.01711 6.89436 6.81707 5.04086 5.487 5.75085 6.62952 10.844 8.83874 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 9.36997 12.0818 18.6229 6.91534 9.08479 11.169 12.5953 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.48545 9.27989 13.3838 9.36997 12.0818 18.6229 8.67704 5.88166 14.8007 10.9512 numMergedOcc 0
20 mol 239 unq 2 iso 0 dist 8.48545 9.27989 13.3838 9.97907 5.77462 17.6269 6.91534 9.08479 11.169 11.4843 numMergedOcc 0
21 mol 239 unq 3 iso 0 dist 8.48545 9.27989 13.3838 9.97907 5.77462 17.6269 8.67704 5.88166 14.8007 7.06824 numMergedOcc 0
22 mol 239 unq 4 iso 0 dist 8.48545 9.27989 13.3838 8.83751 10.4475 7.34872 6.91534 9.08479 11.169 13.3917 numMergedOcc 0
23 mol 239 unq 5 iso 0 dist 8.48545 9.27989 13.3838 8.83751 10.4475 7.34872 8.67704 5.88166 14.8007 14.4176 numMergedOcc 0
24 mol 239 unq 6 iso 0 dist 8.48545 9.27989 13.3838 8.77688 5.68875 8.9361 6.91534 9.08479 11.169 9.38172 numMergedOcc 0
25 mol 239 unq 7 iso 0 dist 8.48545 9.27989 13.3838 8.77688 5.68875 8.9361 8.67704 5.88166 14.8007 9.33091 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 4.85199 7.6414 4.25662 6.40153 5.48835 8.57648 6.45102 5.52134 6.18925 4.58184 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 9.72159 7.6414 12.864 6.40153 5.20812 8.57648 6.45102 7.0673 6.18925 4.58184 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 7.5355 10.4013 6.15987 9.29922 15.4124 12.6502 8.43508 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 5.68818 5.94174 6.4399 4.87349 9.47092 10.6664 9.97867 numMergedOcc 0
30 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 5.68818 5.94174 13.016 4.87349 9.47092 4.50325 9.97867 numMergedOcc 0
