0 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 7.67038 4.54938 6.864 7.75618 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 5.80928 4.51865 6.864 6.41423 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 5.80928 4.51865 11.0366 6.41423 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 7.67038 8.4674 10.4091 8.40416 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 7.67038 8.4674 4.51865 8.40416 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.80928 6.864 4.51865 6.41423 numMergedOcc 0
6 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.80928 6.864 11.0366 6.41423 numMergedOcc 0
7 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 7.67038 6.864 4.54938 7.75618 numMergedOcc 0
8 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 5.80928 8.4674 4.54938 6.41575 numMergedOcc 0
9 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 7.67038 4.51865 10.4091 8.40416 numMergedOcc 0
10 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 7.67038 4.51865 8.4674 8.40416 numMergedOcc 0
11 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 5.80928 4.54938 8.4674 6.41575 numMergedOcc 0
12 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 10.0952 6.86014 12.5077 7.29868 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.66905 7.95579 10.7229 7.54568 4.65335 10.2865 10.1164 5.73196 15.309 9.39864 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.66905 6.19965 6.9948 7.54568 4.65335 8.09967 10.1164 5.73196 11.2656 9.39864 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 5.88134 6.65086 10.5134 8.30845 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 5.88134 6.65086 6.56369 8.30845 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 5.88134 6.56369 6.65086 8.30845 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 5.88134 6.56369 10.5134 8.30845 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 5.88134 9.60661 12.0662 7.01812 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 5.88134 9.60661 9.35224 7.01812 numMergedOcc 0
21 mol 100 unq 6 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 5.88134 9.60661 10.5853 7.01812 numMergedOcc 0
22 mol 100 unq 7 iso 0 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 5.88134 9.35224 12.0662 7.01812 numMergedOcc 0
23 mol 100 unq 8 iso 0 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 5.88134 9.35224 9.60661 7.01812 numMergedOcc 0
24 mol 100 unq 9 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 5.88134 9.35224 10.5853 7.01812 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 7.11972 6.90986 10.498 5.88249 6.77806 5.31484 6.5838 5.11551 11.4095 6.92026 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 6.90986 7.11972 10.498 5.88249 5.31484 6.77806 5.67807 5.39945 11.8863 6.97707 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.52634 6.5107 9.56949 6.66772 4.34568 7.12976 6.69554 9.91388 9.66421 9.97654 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.52634 6.5107 9.56949 6.66772 4.34568 7.12976 7.6656 7.24514 12.0352 7.71248 numMergedOcc 0
29 mol 133 unq 2 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 6.761 9.91388 10.0372 9.97654 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 7.24514 8.22656 6.65743 7.71248 4.34568 10.6025 7.6656 9.52634 13.4163 6.66772 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.79898 9.89303 9.93925 5.83771 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 5.00526 6.49416 9.93925 6.23142 numMergedOcc 0
33 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 6.81259 9.86662 9.71307 9.94764 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 6.81259 9.86662 12.5075 9.94764 numMergedOcc 0
35 mol 134 unq 4 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.81259 9.71307 9.86662 9.94764 numMergedOcc 0
36 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.81259 9.71307 12.5075 9.94764 numMergedOcc 0
37 mol 134 unq 6 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 5.00526 6.54501 11.9139 7.69991 numMergedOcc 0
38 mol 134 unq 7 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 5.00526 6.54501 9.5126 7.69991 numMergedOcc 0
39 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 6.81259 8.94367 6.37586 6.23142 numMergedOcc 0
40 mol 134 unq 9 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 6.81259 6.37586 8.94367 6.23142 numMergedOcc 0
41 mol 156 unq 0 iso 0 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 5.56175 7.44554 12.0598 9.44367 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 8.88798 5.98885 10.7062 7.99195 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 8.88798 9.1374 15.0228 6.2479 numMergedOcc 0
44 mol 206 unq 0 iso 0 dist 9.774 8.02137 10.4 7.75885 6.45859 12.7604 5.63422 7.7366 11.1804 6.16414 numMergedOcc 0
45 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 4.39704 7.09863 10.4905 6.02296 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 4.39704 7.09863 10.8157 6.02296 numMergedOcc 0
47 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 4.39704 7.09863 11.0431 6.02296 numMergedOcc 0
48 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 4.39704 7.09863 10.0334 6.02296 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 6.96053 7.46176 10.3935 7.08526 numMergedOcc 0
