0 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 10.0815 5.86181 11.6953 16.3456 9.07213 15.0475 10.2902 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.51452 6.03547 6.92904 13.457 6.3253 10.6446 16.3456 9.07213 15.0475 5.22924 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.51452 6.03547 6.92904 11.3821 5.80568 10.0032 16.3456 9.07213 15.0475 9.92781 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.09764 9.20198 6.05053 8.96335 4.74809 5.86181 4.95725 7.14069 12.4598 10.5097 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 6.09764 9.20198 6.05053 8.96335 4.74809 5.86181 5.84217 8.58641 13.3189 12.7656 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 6.09764 9.20198 6.05053 8.96335 4.74809 5.86181 4.18921 5.99466 9.07213 10.2902 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 6.09764 9.20198 6.05053 6.05944 7.43882 6.3253 4.95725 7.14069 12.4598 10.3149 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 6.09764 9.20198 6.05053 6.05944 7.43882 6.3253 5.84217 8.58641 13.3189 9.84883 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 6.09764 9.20198 6.05053 6.05944 7.43882 6.3253 4.18921 5.99466 9.07213 5.22924 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 6.09764 9.20198 6.05053 7.46656 7.31198 5.80568 4.95725 7.14069 12.4598 11.2406 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 6.09764 9.20198 6.05053 7.46656 7.31198 5.80568 5.84217 8.58641 13.3189 13.0235 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 6.09764 9.20198 6.05053 7.46656 7.31198 5.80568 4.18921 5.99466 9.07213 9.92781 numMergedOcc 0
12 mol 20 unq 12 iso 0 dist 9.20198 6.09764 6.05053 8.96335 5.86181 4.74809 4.18921 9.07213 5.99466 10.2902 numMergedOcc 0
13 mol 20 unq 13 iso 0 dist 9.20198 6.09764 6.05053 6.05944 6.3253 7.43882 4.18921 9.07213 5.99466 5.22924 numMergedOcc 0
14 mol 20 unq 14 iso 0 dist 9.20198 6.09764 6.05053 7.46656 5.80568 7.31198 4.18921 9.07213 5.99466 9.92781 numMergedOcc 0
15 mol 24 unq 0 iso 0 dist 9.01567 7.33768 7.88693 6.66749 4.2121 8.00171 8.91183 6.19899 11.9029 4.08755 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 9.01567 7.33768 7.88693 6.66749 4.2121 8.00171 13.0212 8.49709 12.7215 6.86136 numMergedOcc 0
17 mol 24 unq 2 iso 0 dist 9.01567 7.29868 6.16544 6.66749 4.2121 6.72323 8.91183 6.19899 6.61696 4.08755 numMergedOcc 0
18 mol 24 unq 3 iso 0 dist 9.01567 7.29868 6.16544 6.66749 4.2121 6.72323 13.0212 8.49709 12.9064 6.86136 numMergedOcc 0
19 mol 24 unq 4 iso 0 dist 6.73939 8.70827 15.0804 6.56748 5.95834 11.9138 15.4313 9.85784 22.5395 11.6859 numMergedOcc 0
20 mol 24 unq 5 iso 0 dist 6.73939 8.70827 15.0804 6.56748 5.95834 11.9138 14.1829 9.87996 20.2392 9.80106 numMergedOcc 0
21 mol 24 unq 6 iso 0 dist 6.73939 8.70827 15.0804 4.50066 4.2121 11.8282 15.4313 9.85784 22.5395 11.076 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 6.73939 8.70827 15.0804 4.50066 4.2121 11.8282 14.1829 9.87996 20.2392 9.68535 numMergedOcc 0
23 mol 24 unq 8 iso 0 dist 6.73939 8.70827 15.0804 11.9112 8.00171 18.9552 15.4313 9.85784 22.5395 5.70626 numMergedOcc 0
24 mol 24 unq 9 iso 0 dist 6.73939 8.70827 15.0804 11.9112 8.00171 18.9552 14.1829 9.87996 20.2392 5.62738 numMergedOcc 0
25 mol 24 unq 10 iso 0 dist 6.73939 8.70827 15.0804 5.11617 6.72323 12.8389 15.4313 9.85784 22.5395 14.6305 numMergedOcc 0
26 mol 24 unq 11 iso 0 dist 6.73939 8.70827 15.0804 5.11617 6.72323 12.8389 14.1829 9.87996 20.2392 14.3224 numMergedOcc 0
27 mol 24 unq 12 iso 0 dist 8.4051 8.23446 14.1082 12.176 6.72323 19.0465 10.1698 6.61696 16.1924 4.08755 numMergedOcc 0
28 mol 24 unq 13 iso 0 dist 8.4051 8.23446 14.1082 12.176 6.72323 19.0465 13.6174 5.80953 17.4861 10.0453 numMergedOcc 0
29 mol 24 unq 14 iso 0 dist 8.4051 8.75662 9.62033 12.176 6.72323 15.7523 10.1698 6.61696 15.3807 4.08755 numMergedOcc 0
30 mol 24 unq 15 iso 0 dist 8.4051 8.75662 9.62033 12.176 6.72323 15.7523 13.6174 5.80953 11.7489 10.0453 numMergedOcc 0
31 mol 24 unq 16 iso 0 dist 7.29868 7.33768 10.2653 6.66749 6.72323 8.00171 8.91183 6.61696 11.9029 4.08755 numMergedOcc 0
32 mol 24 unq 17 iso 0 dist 7.29868 7.33768 10.2653 6.66749 6.72323 8.00171 5.69214 5.80953 10.8435 10.0453 numMergedOcc 0
33 mol 24 unq 18 iso 0 dist 7.29868 9.01567 6.16544 6.66749 6.72323 4.2121 8.91183 6.61696 6.19899 4.08755 numMergedOcc 0
34 mol 24 unq 19 iso 0 dist 7.29868 9.01567 6.16544 6.66749 6.72323 4.2121 5.69214 5.80953 10.8068 10.0453 numMergedOcc 0
35 mol 24 unq 20 iso 0 dist 8.60554 8.44664 14.1496 14.012 6.72323 18.7793 14.8647 6.61696 20.4659 4.08755 numMergedOcc 0
36 mol 24 unq 21 iso 0 dist 8.60554 8.44664 14.1496 14.012 6.72323 18.7793 5.11636 5.80953 12.8213 10.0453 numMergedOcc 0
37 mol 24 unq 22 iso 0 dist 8.60554 9.44691 9.62033 14.012 6.72323 15.7523 14.8647 6.61696 15.3807 4.08755 numMergedOcc 0
38 mol 24 unq 23 iso 0 dist 8.60554 9.44691 9.62033 14.012 6.72323 15.7523 5.11636 5.80953 11.7489 10.0453 numMergedOcc 0
39 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 6.08585 6.25843 11.4912 5.63212 5.20109 13.0308 3.904 numMergedOcc 0
40 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 5.77929 6.25843 8.88938 6.47509 5.20109 12.506 3.904 numMergedOcc 0
41 mol 91 unq 0 iso 0 dist 9.30539 9.01176 9.17687 4.57085 8.66165 12.1299 12.6799 8.77355 16.4087 10.6223 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 15.3454 9.5057 16.2173 6.23008 6.59691 13.2391 12.48 numMergedOcc 0
43 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 7.27193 6.6317 10.0094 13.9729 9.30645 10.6797 9.74974 numMergedOcc 0
44 mol 129 unq 0 iso 0 dist 4.97175 9.36851 5.41583 4.55551 7.59327 9.73158 6.16616 9.35533 12.8649 8.3321 numMergedOcc 0
45 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 5.48551 7.22518 7.58499 9.35703 9.34834 13.0134 14.0016 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 5.48551 7.22518 7.58499 9.14311 5.74846 9.37868 11.4302 numMergedOcc 0
47 mol 171 unq 2 iso 0 dist 5.93786 8.1344 3.98338 7.9651 5.25109 8.21618 9.35703 9.34834 13.0134 10.0655 numMergedOcc 0
48 mol 171 unq 3 iso 0 dist 5.93786 8.1344 3.98338 7.9651 5.25109 8.21618 9.14311 5.74846 9.37868 4.88147 numMergedOcc 0
49 mol 171 unq 4 iso 0 dist 8.24693 6.71356 3.98338 8.05069 7.22518 7.58499 14.4375 9.34834 13.0134 14.0016 numMergedOcc 0
50 mol 171 unq 5 iso 0 dist 8.24693 6.71356 3.98338 8.05069 7.22518 7.58499 13.6262 5.74846 9.37868 11.4302 numMergedOcc 0
51 mol 171 unq 6 iso 0 dist 8.24693 6.71356 3.98338 12.6853 5.25109 8.21618 14.4375 9.34834 13.0134 10.0655 numMergedOcc 0
52 mol 171 unq 7 iso 0 dist 8.24693 6.71356 3.98338 12.6853 5.25109 8.21618 13.6262 5.74846 9.37868 4.88147 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 7.81713 7.32087 8.86197 6.28125 9.06571 9.88897 5.3698 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 6.46704 6.59025 9.87773 7.81713 7.32087 8.86197 6.50233 7.35884 11.6588 6.39406 numMergedOcc 0
55 mol 181 unq 2 iso 0 dist 6.59025 6.46704 9.87773 7.81713 8.86197 7.32087 6.28125 9.88897 9.06571 5.3698 numMergedOcc 0
56 mol 181 unq 3 iso 0 dist 6.59025 6.46704 9.87773 7.16549 5.94379 13.134 6.28125 9.88897 9.06571 9.56782 numMergedOcc 0
57 mol 181 unq 4 iso 0 dist 5.9176 6.41453 9.53592 6.29863 7.22883 11.8112 10.6474 8.12266 12.6232 14.2282 numMergedOcc 0
58 mol 181 unq 5 iso 0 dist 5.9176 6.41453 9.53592 6.29863 7.22883 11.8112 5.12833 9.43306 8.4848 10.273 numMergedOcc 0
59 mol 181 unq 6 iso 0 dist 5.9176 6.41453 9.53592 6.29863 7.22883 11.8112 4.61184 8.59681 10.6525 5.14966 numMergedOcc 0
60 mol 194 unq 0 iso 0 dist 6.72379 8.29382 6.7294 7.11753 6.38324 12.3845 4.66791 9.00322 11.2491 7.41775 numMergedOcc 0
61 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 7.77516 6.94789 10.7602 10.5354 7.39085 12.9086 14.2323 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 6.52035 7.75216 12.0228 12.393 7.77765 10.0206 13.9324 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 6.52035 7.75216 12.0228 8.87855 9.65868 8.60027 10.7442 numMergedOcc 0
64 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 6.16703 6.88827 10.6742 8.87855 8.60027 9.65868 13.3632 numMergedOcc 0
65 mol 274 unq 3 iso 0 dist 6.39866 9.45514 10.7637 5.64601 9.16942 10.083 8.87855 8.60027 9.65868 5.39432 numMergedOcc 0
