0 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 4.10106 6.859 9.74251 13.3734 8.05578 7.90478 12.1329 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.96346 9.62262 7.46578 4.10106 6.859 6.56765 13.3734 8.05578 7.16561 12.1329 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 16.3456 9.07213 10.2902 12.3294 6.05053 4.74809 5.99466 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 16.3456 9.07213 5.22924 12.3294 6.05053 7.43882 5.99466 numMergedOcc 0
4 mol 20 unq 2 iso 0 dist 7.51452 11.3821 5.80568 16.3456 9.07213 9.92781 12.3294 6.05053 7.31198 5.99466 numMergedOcc 0
5 mol 20 unq 3 iso 0 dist 6.09764 8.96335 4.74809 4.95725 7.14069 10.5097 9.20198 6.05053 5.86181 12.4598 numMergedOcc 0
6 mol 20 unq 4 iso 0 dist 6.09764 8.96335 4.74809 5.84217 8.58641 12.7656 9.20198 6.05053 5.86181 13.3189 numMergedOcc 0
7 mol 20 unq 5 iso 0 dist 6.09764 8.96335 4.74809 4.18921 5.99466 10.2902 9.20198 6.05053 5.86181 9.07213 numMergedOcc 0
8 mol 20 unq 6 iso 0 dist 6.09764 6.05944 7.43882 4.95725 7.14069 10.3149 9.20198 6.05053 6.3253 12.4598 numMergedOcc 0
9 mol 20 unq 7 iso 0 dist 6.09764 6.05944 7.43882 5.84217 8.58641 9.84883 9.20198 6.05053 6.3253 13.3189 numMergedOcc 0
10 mol 20 unq 8 iso 0 dist 6.09764 6.05944 7.43882 4.18921 5.99466 5.22924 9.20198 6.05053 6.3253 9.07213 numMergedOcc 0
11 mol 20 unq 9 iso 0 dist 6.09764 7.46656 7.31198 4.95725 7.14069 11.2406 9.20198 6.05053 5.80568 12.4598 numMergedOcc 0
12 mol 20 unq 10 iso 0 dist 6.09764 7.46656 7.31198 5.84217 8.58641 13.0235 9.20198 6.05053 5.80568 13.3189 numMergedOcc 0
13 mol 20 unq 11 iso 0 dist 6.09764 7.46656 7.31198 4.18921 5.99466 9.92781 9.20198 6.05053 5.80568 9.07213 numMergedOcc 0
14 mol 20 unq 12 iso 0 dist 9.20198 8.96335 5.86181 4.18921 9.07213 10.2902 6.09764 6.05053 4.74809 5.99466 numMergedOcc 0
15 mol 20 unq 13 iso 0 dist 9.20198 6.05944 6.3253 4.18921 9.07213 5.22924 6.09764 6.05053 7.43882 5.99466 numMergedOcc 0
16 mol 20 unq 14 iso 0 dist 9.20198 7.46656 5.80568 4.18921 9.07213 9.92781 6.09764 6.05053 7.31198 5.99466 numMergedOcc 0
17 mol 24 unq 0 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 12.2059 4.15946 5.95834 7.26334 numMergedOcc 0
18 mol 24 unq 1 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 7.33768 7.88693 8.00171 11.9029 numMergedOcc 0
19 mol 24 unq 2 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 7.29868 6.16544 6.72323 6.61696 numMergedOcc 0
20 mol 24 unq 3 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 12.2059 4.15946 5.95834 5.78532 numMergedOcc 0
21 mol 24 unq 4 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 7.33768 7.88693 8.00171 12.7215 numMergedOcc 0
22 mol 24 unq 5 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 7.29868 6.16544 6.72323 12.9064 numMergedOcc 0
23 mol 24 unq 6 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 11.3566 9.92026 5.95834 7.26334 numMergedOcc 0
24 mol 24 unq 7 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 9.83002 6.16544 4.2121 6.19899 numMergedOcc 0
25 mol 24 unq 8 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 16.8439 10.2653 8.00171 11.9029 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 11.3566 9.92026 5.95834 14.7426 numMergedOcc 0
27 mol 24 unq 10 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 9.83002 6.16544 4.2121 10.8068 numMergedOcc 0
28 mol 24 unq 11 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 16.8439 10.2653 8.00171 10.8435 numMergedOcc 0
29 mol 24 unq 12 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 12.2059 9.92026 5.95834 7.26334 numMergedOcc 0
30 mol 24 unq 13 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 9.01567 6.16544 4.2121 6.19899 numMergedOcc 0
31 mol 24 unq 14 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 7.33768 10.2653 8.00171 11.9029 numMergedOcc 0
32 mol 24 unq 15 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 12.2059 9.92026 5.95834 14.7426 numMergedOcc 0
33 mol 24 unq 16 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 9.01567 6.16544 4.2121 10.8068 numMergedOcc 0
34 mol 24 unq 17 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 7.33768 10.2653 8.00171 10.8435 numMergedOcc 0
35 mol 24 unq 18 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 17.592 9.92026 5.95834 7.26334 numMergedOcc 0
36 mol 24 unq 19 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 13.4393 6.16544 4.2121 6.19899 numMergedOcc 0
37 mol 24 unq 20 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 12.9284 10.2653 8.00171 11.9029 numMergedOcc 0
38 mol 24 unq 21 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 17.592 9.92026 5.95834 14.7426 numMergedOcc 0
39 mol 24 unq 22 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 13.4393 6.16544 4.2121 10.8068 numMergedOcc 0
40 mol 24 unq 23 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 12.9284 10.2653 8.00171 10.8435 numMergedOcc 0
41 mol 25 unq 0 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 13.8469 12.6805 8.88938 12.506 numMergedOcc 0
42 mol 25 unq 1 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 9.01548 12.6805 8.88938 12.506 numMergedOcc 0
43 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 6.95017 8.93769 11.9597 11.3767 5.74171 9.60622 8.98912 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 11.3043 10.2754 7.36769 9.25444 numMergedOcc 0
45 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 11.3043 10.2754 7.36769 9.84703 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 7.01812 10.6848 9.5057 4.03277 6.59691 12.48 10.4538 5.59227 5.75014 11.1692 numMergedOcc 0
47 mol 100 unq 1 iso 0 dist 8.30845 15.3454 9.5057 6.23008 6.59691 12.48 13.2184 5.59227 5.75014 11.1692 numMergedOcc 0
48 mol 129 unq 0 iso 0 dist 4.97175 4.55551 7.59327 6.16616 9.35533 8.3321 9.36851 5.41583 9.73158 12.8649 numMergedOcc 0
49 mol 141 unq 0 iso 0 dist 8.10291 14.7684 9.83945 4.32342 7.42144 16.2294 12.5586 6.33946 6.75376 12.3695 numMergedOcc 0
50 mol 141 unq 1 iso 0 dist 8.10291 14.7684 9.83945 4.32342 7.42144 16.2294 17.6845 12.8394 9.10042 17.8444 numMergedOcc 0
51 mol 141 unq 2 iso 0 dist 8.10291 14.7684 9.83945 7.17845 6.27658 15.9806 12.5586 6.33946 6.75376 11.4776 numMergedOcc 0
52 mol 141 unq 3 iso 0 dist 8.10291 14.7684 9.83945 7.17845 6.27658 15.9806 17.6845 12.8394 9.10042 17.3445 numMergedOcc 0
53 mol 141 unq 4 iso 0 dist 9.97343 9.74444 9.10042 13.4066 6.65731 14.0725 18.8624 12.8394 9.83945 16.8263 numMergedOcc 0
54 mol 141 unq 5 iso 0 dist 9.97343 9.74444 9.10042 13.4066 6.65731 14.0725 13.5519 6.59975 6.75376 11.6264 numMergedOcc 0
55 mol 141 unq 6 iso 0 dist 9.70413 10.3716 9.10042 8.54432 6.65731 14.0725 15.4264 12.8394 9.83945 16.8263 numMergedOcc 0
56 mol 141 unq 7 iso 0 dist 9.70413 10.3716 9.10042 8.54432 6.65731 14.0725 11.7346 6.59975 6.75376 11.6264 numMergedOcc 0
57 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 11.1373 7.9115 7.22518 13.7795 numMergedOcc 0
58 mol 171 unq 1 iso 0 dist 9.61462 10.844 8.21618 7.5383 7.47964 12.9811 11.1373 7.9115 7.58499 13.7795 numMergedOcc 0
59 mol 171 unq 2 iso 0 dist 6.64834 6.45673 7.22518 8.99935 9.34834 14.0016 9.85653 3.98338 7.58499 13.0134 numMergedOcc 0
60 mol 171 unq 3 iso 0 dist 6.64834 6.45673 7.22518 7.15048 5.74846 11.4302 9.85653 3.98338 7.58499 9.37868 numMergedOcc 0
61 mol 171 unq 4 iso 0 dist 6.64834 4.78075 5.25109 8.99935 9.34834 10.0655 9.85653 3.98338 8.21618 13.0134 numMergedOcc 0
62 mol 171 unq 5 iso 0 dist 6.64834 4.78075 5.25109 7.15048 5.74846 4.88147 9.85653 3.98338 8.21618 9.37868 numMergedOcc 0
63 mol 171 unq 6 iso 0 dist 5.93786 5.48551 7.22518 9.35703 9.34834 14.0016 8.1344 3.98338 7.58499 13.0134 numMergedOcc 0
64 mol 171 unq 7 iso 0 dist 5.93786 5.48551 7.22518 9.14311 5.74846 11.4302 8.1344 3.98338 7.58499 9.37868 numMergedOcc 0
65 mol 171 unq 8 iso 0 dist 5.93786 7.9651 5.25109 9.35703 9.34834 10.0655 8.1344 3.98338 8.21618 13.0134 numMergedOcc 0
66 mol 171 unq 9 iso 0 dist 5.93786 7.9651 5.25109 9.14311 5.74846 4.88147 8.1344 3.98338 8.21618 9.37868 numMergedOcc 0
67 mol 171 unq 10 iso 0 dist 8.24693 8.05069 7.22518 14.4375 9.34834 14.0016 6.71356 3.98338 7.58499 13.0134 numMergedOcc 0
68 mol 171 unq 11 iso 0 dist 8.24693 8.05069 7.22518 13.6262 5.74846 11.4302 6.71356 3.98338 7.58499 9.37868 numMergedOcc 0
69 mol 171 unq 12 iso 0 dist 8.24693 12.6853 5.25109 14.4375 9.34834 10.0655 6.71356 3.98338 8.21618 13.0134 numMergedOcc 0
70 mol 171 unq 13 iso 0 dist 8.24693 12.6853 5.25109 13.6262 5.74846 4.88147 6.71356 3.98338 8.21618 9.37868 numMergedOcc 0
71 mol 171 unq 14 iso 0 dist 7.36698 11.2785 7.22518 4.66982 9.34834 14.0016 11.3469 3.98338 7.58499 13.0134 numMergedOcc 0
72 mol 171 unq 15 iso 0 dist 7.36698 11.2785 7.22518 3.65288 5.74846 11.4302 11.3469 3.98338 7.58499 9.37868 numMergedOcc 0
73 mol 171 unq 16 iso 0 dist 7.36698 5.90026 5.25109 4.66982 9.34834 10.0655 11.3469 3.98338 8.21618 13.0134 numMergedOcc 0
74 mol 171 unq 17 iso 0 dist 7.36698 5.90026 5.25109 3.65288 5.74846 4.88147 11.3469 3.98338 8.21618 9.37868 numMergedOcc 0
75 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 6.59025 9.87773 8.86197 9.88897 numMergedOcc 0
76 mol 181 unq 1 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 6.59025 9.87773 8.86197 11.6588 numMergedOcc 0
77 mol 181 unq 2 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 6.46704 9.87773 7.32087 9.06571 numMergedOcc 0
78 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 10.0756 4.19371 4.002 12.4952 9.4131 6.38324 9.64441 numMergedOcc 0
79 mol 194 unq 1 iso 0 dist 8.65535 11.6598 6.1886 16.4082 9.71015 7.09553 12.4952 9.4131 6.38324 13.1921 numMergedOcc 0
80 mol 194 unq 2 iso 0 dist 6.72379 7.11753 6.38324 4.66791 9.00322 7.41775 12.645 9.4131 6.1886 11.7017 numMergedOcc 0
81 mol 232 unq 0 iso 0 dist 9.05071 4.9377 9.8664 5.42461 6.59036 4.68548 13.7227 16.4381 9.78181 13.6374 numMergedOcc 0
