0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 8.66248 7.49157 9.41655 10.0118 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 7.05502 11.573 7.83786 6.73521 7.73794 6.803 6.07594 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 8.66248 14.9512 9.41655 10.0118 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 7.05502 10.5273 7.83786 6.73521 12.1131 6.803 6.07594 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 13.5399 13.6588 9.65174 15.0923 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 15.0923 13.6588 9.65174 13.5399 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 12.2509 16.4714 9.96399 7.1082 14.9987 6.46718 9.25611 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 7.1082 14.9987 6.46718 5.42423 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 9.25611 12.663 6.46718 5.42423 numMergedOcc 0
9 mol 60 unq 3 iso 0 dist 8.33063 9.96399 9.62257 12.2509 11.5843 8.82176 9.25611 12.663 6.46718 7.1082 numMergedOcc 0
10 mol 60 unq 4 iso 0 dist 8.7531 7.55695 9.62257 7.29309 8.33063 9.96399 5.42423 12.663 6.46718 9.25611 numMergedOcc 0
11 mol 60 unq 5 iso 0 dist 8.7531 7.55695 9.62257 5.00018 11.5843 8.82176 5.42423 12.663 6.46718 7.1082 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 9.65964 6.54023 9.03317 5.22626 10.1773 9.31969 6.93285 11.5684 7.34145 12.0751 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 4.26409 11.3023 8.00777 8.18948 11.5901 5.72961 5.76272 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 4.26409 6.19965 7.1589 5.76272 8.04242 5.72961 8.18948 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 4.26409 7.95579 8.00777 8.18948 8.04242 5.72961 5.76272 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 4.8896 11.5121 6.78038 4.69658 6.87434 9.34689 6.35793 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 13.2169 10.1864 7.62197 10.4816 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 10.4816 10.3523 7.62197 13.2169 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 4.68615 6.79114 7.34557 10.6994 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 10.6994 10.338 7.34557 4.68615 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 6.70283 8.28642 9.35627 7.65448 8.56324 9.77552 4.68615 10.338 7.34557 10.6994 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 4.68615 10.3706 7.34557 10.6994 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 7.38516 7.26832 5.60393 9.96193 9.44789 5.19567 4.30308 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 7.38516 6.03031 8.44861 4.30308 9.44789 5.19567 9.96193 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 8.1148 8.47784 5.89666 13.2361 14.2744 8.66469 17.5547 12.5053 9.76731 11.5735 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 13.2361 14.2744 8.66469 14.3189 12.6598 8.38599 6.19934 numMergedOcc 0
27 mol 252 unq 2 iso 0 dist 8.1715 8.47784 10.672 13.2361 17.8419 8.66469 17.5547 19.6033 9.76731 11.5735 numMergedOcc 0
28 mol 252 unq 3 iso 0 dist 8.1715 8.47784 10.672 13.2361 17.8419 8.66469 14.3189 18.8949 8.38599 6.19934 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 4.26007 10.9661 9.1925 5.82277 12.3738 9.12447 4.83605 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 4.92077 13.4025 6.04162 10.6043 18.9559 8.78525 5.82362 numMergedOcc 0
