0 mol 15 unq 0 iso 0 dist 9.97507 8.38064 9.03536 5.17568 6.82505 10.4158 4.29582 11.7302 7.07399 8.72342 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.63133 6.31718 10.8455 5.32694 5.46498 10.9143 10.4366 16.9082 6.93532 15.1671 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 10.4155 8.71745 16.4009 10.4366 16.9082 6.93532 20.4376 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 7.67038 4.54938 6.864 4.64838 6.41575 6.41423 4.97119 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 10.3915 7.82074 11.0366 4.64838 6.41575 6.41423 6.01808 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 9.74255 8.40416 7.75618 7.08342 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 7.67038 8.4674 4.51865 4.97119 6.41575 6.41423 4.64838 numMergedOcc 0
7 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 5.03957 7.82074 11.0366 4.97119 6.41575 6.41423 6.01808 numMergedOcc 0
8 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 7.34551 7.20519 10.4091 9.74255 7.75618 8.40416 4.96411 numMergedOcc 0
9 mol 19 unq 6 iso 0 dist 4.54938 8.4674 7.67038 5.80928 6.864 4.51865 9.74255 7.75618 8.40416 7.08342 numMergedOcc 0
10 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 4.64838 6.41423 6.41575 4.97119 numMergedOcc 0
11 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 5.80928 8.4674 4.54938 7.08342 8.40416 7.75618 9.74255 numMergedOcc 0
12 mol 19 unq 9 iso 0 dist 6.864 4.54938 5.80928 7.67038 4.51865 8.4674 4.97119 6.41423 6.41575 4.64838 numMergedOcc 0
13 mol 19 unq 10 iso 0 dist 6.864 4.51865 7.67038 7.07775 7.20519 10.4091 7.08342 7.75618 8.40416 4.96411 numMergedOcc 0
14 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 5.80928 4.54938 8.4674 7.08342 7.75618 8.40416 9.74255 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 6.44287 8.38394 12.5077 4.32034 12.9284 7.33768 10.1325 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 6.44287 8.38394 12.5077 8.67951 13.4393 9.01567 13.6595 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 6.44287 8.38394 12.5077 8.52463 8.60554 7.29868 12.3994 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 5.74871 12.3035 7.21955 11.387 numMergedOcc 0
19 mol 60 unq 0 iso 0 dist 6.43294 8.7531 5.67502 10.6819 6.65595 11.1899 7.04075 10.1323 9.90939 12.5049 numMergedOcc 0
20 mol 60 unq 1 iso 0 dist 6.43294 8.7531 5.67502 11.3621 9.25011 12.4656 7.04075 10.1323 9.90939 10.5035 numMergedOcc 0
21 mol 60 unq 2 iso 0 dist 6.43294 8.7531 5.67502 5.51199 8.52121 11.6311 7.04075 10.1323 9.90939 6.10837 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 8.09967 10.0796 7.54568 4.65335 numMergedOcc 0
23 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 4.65335 10.0796 7.54568 8.09967 numMergedOcc 0
24 mol 85 unq 2 iso 0 dist 7.47541 5.73196 6.87425 6.9948 7.97049 11.2656 4.65335 10.0796 9.39864 8.09967 numMergedOcc 0
25 mol 85 unq 3 iso 0 dist 6.19965 7.97049 5.42586 4.26409 7.95579 11.3023 9.29301 12.0078 9.82915 11.165 numMergedOcc 0
26 mol 85 unq 4 iso 0 dist 6.19965 7.97049 5.42586 6.9948 7.66905 7.47541 9.29301 12.0078 9.82915 13.5116 numMergedOcc 0
27 mol 85 unq 5 iso 0 dist 7.66905 7.47541 5.42586 10.7229 7.95579 11.3023 13.5116 12.0078 9.82915 11.165 numMergedOcc 0
28 mol 85 unq 6 iso 0 dist 7.66905 7.47541 5.42586 6.9948 6.19965 7.97049 13.5116 12.0078 9.82915 9.29301 numMergedOcc 0
29 mol 85 unq 7 iso 0 dist 7.66905 5.73196 10.1164 10.7229 7.95579 15.309 4.65335 7.54568 9.39864 10.2865 numMergedOcc 0
30 mol 85 unq 8 iso 0 dist 7.66905 5.73196 10.1164 6.9948 6.19965 11.2656 4.65335 7.54568 9.39864 8.09967 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 5.80144 7.01812 8.30845 8.4128 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 9.60661 6.65086 5.88134 11.5403 7.17106 10.5134 12.3577 10.0635 8.76378 9.15365 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 5.80144 7.01812 8.30845 10.0456 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 9.60661 6.65086 5.88134 7.80879 9.35224 6.56369 12.3577 10.0635 8.76378 4.97045 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 9.60661 7.17106 11.5403 5.88134 6.65086 10.5134 10.6848 14.8081 7.10378 15.3454 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 10.0456 7.01812 8.30845 5.80144 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 9.35224 6.56369 5.88134 7.80879 9.60661 6.65086 4.97045 10.0635 8.76378 12.3577 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 10.0456 7.01812 8.30845 8.4128 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 9.35224 6.56369 5.88134 8.87654 7.17106 10.5134 4.97045 10.0635 8.76378 9.15365 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 9.35224 7.17106 8.87654 5.88134 6.56369 10.5134 10.6848 15.2289 7.10378 15.3454 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 5.80144 8.30845 7.01812 12.2861 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 6.65086 9.60661 5.88134 7.80879 6.56369 9.35224 5.80144 8.30845 7.01812 10.0456 numMergedOcc 0
43 mol 100 unq 12 iso 0 dist 6.65086 9.60661 5.88134 5.38414 9.30209 10.5853 5.80144 8.30845 7.01812 6.70236 numMergedOcc 0
44 mol 100 unq 13 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 11.2312 15.4031 7.38135 14.2012 numMergedOcc 0
45 mol 100 unq 14 iso 0 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 10.0456 8.30845 7.01812 12.2861 numMergedOcc 0
46 mol 100 unq 15 iso 0 dist 6.56369 9.35224 5.88134 7.80879 6.65086 9.60661 10.0456 8.30845 7.01812 5.80144 numMergedOcc 0
47 mol 100 unq 16 iso 0 dist 6.56369 9.35224 5.88134 6.39938 9.30209 10.5853 10.0456 8.30845 7.01812 6.70236 numMergedOcc 0
48 mol 100 unq 17 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 11.2312 17.2419 7.38135 14.2012 numMergedOcc 0
49 mol 115 unq 0 iso 0 dist 7.11972 5.11551 6.5838 10.498 6.90986 11.4095 6.77806 5.88249 6.92026 5.31484 numMergedOcc 0
50 mol 115 unq 1 iso 0 dist 6.90986 5.39945 5.67807 10.498 7.11972 11.8863 5.31484 5.88249 6.97707 6.77806 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 9.52634 9.91388 6.69554 9.56949 6.5107 9.66421 4.34568 6.66772 9.97654 7.12976 numMergedOcc 0
52 mol 133 unq 1 iso 0 dist 9.52634 7.24514 7.6656 9.56949 6.5107 12.0352 4.34568 6.66772 7.71248 7.12976 numMergedOcc 0
53 mol 133 unq 2 iso 0 dist 7.24514 9.91388 6.761 6.65743 8.22656 10.0372 4.34568 7.71248 9.97654 10.6025 numMergedOcc 0
54 mol 133 unq 3 iso 0 dist 7.24514 9.52634 7.6656 6.65743 8.22656 13.4163 4.34568 7.71248 6.66772 10.6025 numMergedOcc 0
55 mol 133 unq 4 iso 0 dist 8.00618 6.29155 11.965 8.18495 7.11802 13.268 4.54648 10.9061 6.16242 12.538 numMergedOcc 0
56 mol 133 unq 5 iso 0 dist 8.00618 6.80239 7.79672 8.18495 7.11802 12.6651 4.54648 10.9061 5.87634 12.538 numMergedOcc 0
57 mol 133 unq 6 iso 0 dist 8.00618 7.11802 8.18495 11.965 6.29155 13.268 16.0138 12.7901 9.22232 16.6599 numMergedOcc 0
58 mol 133 unq 7 iso 0 dist 8.00618 7.11802 8.18495 11.965 6.29155 13.268 5.92062 13.5028 9.22661 17.8146 numMergedOcc 0
59 mol 133 unq 8 iso 0 dist 8.00618 7.11802 8.18495 11.965 6.29155 13.268 6.61891 11.8433 7.56378 14.4607 numMergedOcc 0
60 mol 133 unq 9 iso 0 dist 8.00618 7.11802 8.18495 7.79672 6.80239 12.6651 16.0138 12.7901 9.22232 19.3488 numMergedOcc 0
61 mol 133 unq 10 iso 0 dist 8.00618 7.11802 8.18495 7.79672 6.80239 12.6651 5.92062 13.5028 9.22661 13.262 numMergedOcc 0
62 mol 133 unq 11 iso 0 dist 8.00618 7.11802 8.18495 7.79672 6.80239 12.6651 6.61891 11.8433 7.56378 13.1361 numMergedOcc 0
63 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.79898 9.89303 9.93925 5.71679 7.69991 6.23142 4.60632 numMergedOcc 0
64 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 5.00526 6.49416 9.93925 7.41674 7.80532 5.83771 9.87376 numMergedOcc 0
65 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 4.57832 6.23142 9.94764 5.29786 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 4.57832 6.23142 9.94764 5.71679 numMergedOcc 0
67 mol 134 unq 4 iso 0 dist 8.94367 6.49416 8.80819 6.81259 9.86662 12.5075 9.87376 10.5252 7.80532 14.9876 numMergedOcc 0
68 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 5.29786 6.23142 9.94764 4.57832 numMergedOcc 0
69 mol 134 unq 6 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 5.29786 6.23142 9.94764 5.71679 numMergedOcc 0
70 mol 134 unq 7 iso 0 dist 6.37586 6.49416 5.00817 6.81259 9.71307 12.5075 9.87376 10.7586 7.80532 14.9876 numMergedOcc 0
71 mol 134 unq 8 iso 0 dist 6.49416 6.54501 5.00526 8.80819 8.94367 11.9139 5.71679 6.23142 7.69991 4.57832 numMergedOcc 0
72 mol 134 unq 9 iso 0 dist 6.49416 6.54501 5.00526 5.00817 6.37586 9.5126 5.71679 6.23142 7.69991 5.29786 numMergedOcc 0
73 mol 134 unq 10 iso 0 dist 9.86662 8.94367 6.81259 5.49782 9.71307 6.37586 4.57832 9.94764 6.23142 5.29786 numMergedOcc 0
74 mol 134 unq 11 iso 0 dist 9.71307 6.37586 6.81259 5.49782 9.86662 8.94367 5.29786 9.94764 6.23142 4.57832 numMergedOcc 0
75 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 5.71071 6.23493 10.2463 5.50031 12.2416 7.92304 11.0769 numMergedOcc 0
76 mol 156 unq 0 iso 0 dist 8.94056 7.44554 5.56175 10.1658 7.66148 12.0598 5.4555 7.90267 9.44367 6.03934 numMergedOcc 0
77 mol 156 unq 1 iso 0 dist 8.94056 7.44554 5.56175 10.1658 7.66148 12.0598 11.9952 14.7758 9.47433 20.4217 numMergedOcc 0
78 mol 175 unq 0 iso 0 dist 9.0018 6.57069 8.16421 7.42466 7.652 10.2623 8.29015 10.4182 9.77896 4.63177 numMergedOcc 0
79 mol 175 unq 1 iso 0 dist 5.6234 6.57069 5.35493 7.42466 9.92231 10.2623 8.29015 11.6765 9.77896 4.63177 numMergedOcc 0
80 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 13.2049 8.03334 10.7062 5.6044 14.2254 9.72611 18.696 numMergedOcc 0
81 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 13.2049 8.03334 10.7062 6.6251 6.2479 7.99195 7.81713 numMergedOcc 0
82 mol 181 unq 2 iso 0 dist 9.1374 8.03334 13.2049 8.88798 5.98885 10.7062 4.43096 12.4878 6.46704 12.2164 numMergedOcc 0
83 mol 181 unq 3 iso 0 dist 9.1374 8.03334 13.2049 8.88798 5.98885 10.7062 8.04639 10.6908 6.59025 5.77299 numMergedOcc 0
84 mol 181 unq 4 iso 0 dist 9.1374 8.03334 13.2049 12.1628 9.15386 14.9794 4.43096 12.4878 6.46704 16.0596 numMergedOcc 0
85 mol 181 unq 5 iso 0 dist 9.1374 8.03334 13.2049 12.1628 9.15386 14.9794 8.04639 10.6908 6.59025 8.85666 numMergedOcc 0
86 mol 181 unq 6 iso 0 dist 5.98885 9.1374 8.88798 10.1912 9.09537 15.0228 6.6251 7.99195 6.2479 10.09 numMergedOcc 0
87 mol 186 unq 0 iso 0 dist 8.87694 9.70748 14.9058 9.50685 9.09754 18.6929 5.4141 14.0016 7.66165 13.8496 numMergedOcc 0
88 mol 186 unq 1 iso 0 dist 8.87694 7.54065 5.74635 9.50685 9.09754 10.7914 11.7429 14.2425 8.73217 15.2571 numMergedOcc 0
89 mol 206 unq 0 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 6.45859 7.75885 6.16414 12.7604 numMergedOcc 0
90 mol 206 unq 1 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 4.40897 11.4872 7.33701 14.0857 numMergedOcc 0
91 mol 206 unq 2 iso 0 dist 9.774 7.7366 5.63422 10.4 8.02137 11.1804 7.62219 13.2041 8.0871 15.6122 numMergedOcc 0
92 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 6.99063 9.34734 10.4905 6.35849 7.43071 6.02296 6.00424 numMergedOcc 0
93 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.22356 8.65997 10.8157 6.35849 7.43071 6.02296 10.204 numMergedOcc 0
94 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 10.8658 7.56888 11.0431 6.35849 7.43071 6.02296 9.76735 numMergedOcc 0
95 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 12.4689 7.55216 10.0334 6.35849 7.43071 6.02296 9.32448 numMergedOcc 0
96 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 6.84129 9.06952 13.2905 6.65022 11.1976 8.66332 13.2737 numMergedOcc 0
97 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 7.82322 6.7625 9.36357 4.46561 13.293 9.81425 10.641 numMergedOcc 0
98 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 7.82322 9.45496 6.56247 10.641 13.293 9.81425 4.46561 numMergedOcc 0
99 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 4.69778 8.13497 10.3935 8.81835 7.98231 7.08526 8.41846 numMergedOcc 0
