0 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 4.64838 6.41575 6.41423 9.95212 10.4416 13.0732 12.2354 8.54034 9.79414 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 4.97119 6.41575 10.741 9.95212 8.7083 13.0732 11.877 8.54034 9.79414 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 4.97119 6.41575 6.41423 9.95212 8.7083 13.0732 12.2354 8.54034 9.79414 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 4.64838 6.41423 6.41575 9.95212 10.4416 12.2354 13.0732 8.54034 9.79414 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 4.97119 6.41423 10.741 9.95212 8.7083 12.2354 11.877 8.54034 9.79414 numMergedOcc 0
5 mol 19 unq 5 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 4.97119 6.41423 6.41575 9.95212 8.7083 12.2354 13.0732 8.54034 9.79414 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 4.32034 7.33768 12.9284 8.00171 9.88364 10.2862 18.188 9.85784 5.70626 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 4.32034 7.33768 12.9284 8.00171 9.78753 11.825 18.4146 9.87996 5.62738 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.67951 9.01567 13.4393 4.2121 9.88364 10.2862 18.188 9.85784 11.076 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.67951 9.01567 13.4393 4.2121 9.78753 11.825 18.4146 9.87996 9.68535 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 9.88364 10.2862 18.188 9.85784 14.6305 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 9.78753 11.825 18.4146 9.87996 14.3224 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 14.8647 12.5088 17.9146 6.61696 4.08755 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 5.11636 7.95042 10.9819 5.80953 10.0453 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 14.012 9.41441 15.392 18.7793 4.79736 12.3058 10.6772 9.98592 18.0797 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.012 9.41441 15.392 15.7523 14.4081 17.9275 19.8965 9.586 14.7634 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 9.88364 18.188 10.2862 9.85784 14.6305 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 9.78753 18.4146 11.825 9.87996 14.3224 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 10.971 8.44664 16.1126 18.7793 9.88364 18.188 10.2862 9.85784 20.4941 numMergedOcc 0
19 mol 24 unq 13 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 10.971 8.44664 16.1126 18.7793 9.78753 18.4146 11.825 9.87996 19.6248 numMergedOcc 0
20 mol 24 unq 14 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.4893 9.44691 15.8209 15.7523 9.88364 18.188 10.2862 9.85784 22.0999 numMergedOcc 0
21 mol 24 unq 15 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.4893 9.44691 15.8209 15.7523 9.78753 18.4146 11.825 9.87996 20.7997 numMergedOcc 0
22 mol 24 unq 16 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 5.59311 8.70827 9.12854 12.8389 10.1698 5.68215 17.003 6.61696 13.7009 numMergedOcc 0
23 mol 24 unq 17 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 5.59311 8.70827 9.12854 12.8389 13.6174 10.9113 16.707 5.80953 18.3168 numMergedOcc 0
24 mol 24 unq 18 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 10.1698 5.68215 17.003 6.61696 4.08755 numMergedOcc 0
25 mol 24 unq 19 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 13.6174 10.9113 16.707 5.80953 10.0453 numMergedOcc 0
26 mol 24 unq 20 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.59311 8.70827 9.12854 11.4596 5.73029 9.16003 10.502 9.33304 5.57665 numMergedOcc 0
27 mol 24 unq 21 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.59311 8.70827 9.12854 11.4596 6.28159 10.4135 8.87744 4.5711 9.86385 numMergedOcc 0
28 mol 24 unq 22 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 5.59311 8.70827 9.12854 11.4596 5.50396 9.33482 7.27472 4.44526 10.4353 numMergedOcc 0
29 mol 24 unq 23 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 12.176 6.73939 18.673 19.0465 5.73029 9.16003 10.502 9.33304 15.0789 numMergedOcc 0
30 mol 24 unq 24 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 12.176 6.73939 18.673 19.0465 6.28159 10.4135 8.87744 4.5711 15.9573 numMergedOcc 0
31 mol 24 unq 25 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 12.176 6.73939 18.673 19.0465 5.50396 9.33482 7.27472 4.44526 14.7634 numMergedOcc 0
32 mol 24 unq 26 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 5.59311 8.70827 9.12854 11.6684 5.50396 9.33482 7.27472 9.586 10.4353 numMergedOcc 0
33 mol 24 unq 27 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 12.176 6.73939 18.673 15.7523 5.50396 9.33482 7.27472 9.586 14.7634 numMergedOcc 0
34 mol 24 unq 28 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.59311 9.12854 8.70827 12.8389 10.1698 17.003 5.68215 6.61696 13.7009 numMergedOcc 0
35 mol 24 unq 29 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.59311 9.12854 8.70827 12.8389 13.6174 16.707 10.9113 5.80953 18.3168 numMergedOcc 0
36 mol 24 unq 30 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.59311 9.12854 8.70827 11.4596 5.73029 10.502 9.16003 9.33304 5.57665 numMergedOcc 0
37 mol 24 unq 31 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.59311 9.12854 8.70827 11.4596 6.28159 8.87744 10.4135 4.5711 9.86385 numMergedOcc 0
38 mol 24 unq 32 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.59311 9.12854 8.70827 11.4596 5.50396 7.27472 9.33482 4.44526 10.4353 numMergedOcc 0
39 mol 24 unq 33 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.59311 9.12854 8.70827 11.6684 5.50396 7.27472 9.33482 9.586 10.4353 numMergedOcc 0
40 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 6.08585 8.50222 7.55264 6.25843 5.63212 10.9703 10.3338 5.20109 3.904 numMergedOcc 0
41 mol 25 unq 1 iso 0 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 6.08585 7.55264 8.50222 6.25843 5.63212 10.3338 10.9703 5.20109 3.904 numMergedOcc 0
42 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.78774 9.92355 5.93884 10.2007 11.3019 15.888 13.813 7.58739 10.3684 numMergedOcc 0
43 mol 58 unq 1 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.78774 9.92355 5.93884 10.2007 9.87158 13.3281 9.22598 9.01564 5.66912 numMergedOcc 0
44 mol 58 unq 2 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.78774 9.92355 5.93884 10.2007 5.86526 11.5155 9.55996 7.11065 5.76523 numMergedOcc 0
45 mol 58 unq 3 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.78774 9.92355 7.68678 10.2007 11.3019 15.888 11.2189 7.58739 10.3684 numMergedOcc 0
46 mol 58 unq 4 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.78774 9.92355 7.68678 10.2007 9.87158 13.3281 8.96727 9.01564 5.66912 numMergedOcc 0
47 mol 58 unq 5 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.78774 9.92355 7.68678 10.2007 5.86526 11.5155 8.01308 7.11065 5.76523 numMergedOcc 0
48 mol 58 unq 6 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.78774 5.93884 9.92355 10.2007 11.3019 13.813 15.888 7.58739 10.3684 numMergedOcc 0
49 mol 58 unq 7 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.78774 5.93884 9.92355 10.2007 9.87158 9.22598 13.3281 9.01564 5.66912 numMergedOcc 0
50 mol 58 unq 8 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.78774 5.93884 9.92355 10.2007 5.86526 9.55996 11.5155 7.11065 5.76523 numMergedOcc 0
51 mol 58 unq 9 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.78774 5.93884 7.68678 10.2007 11.3019 13.813 11.2189 7.58739 10.3684 numMergedOcc 0
52 mol 58 unq 10 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.78774 5.93884 7.68678 10.2007 9.87158 9.22598 8.96727 9.01564 5.66912 numMergedOcc 0
53 mol 58 unq 11 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.78774 5.93884 7.68678 10.2007 5.86526 9.55996 8.01308 7.11065 5.76523 numMergedOcc 0
54 mol 58 unq 12 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.78774 7.68678 9.92355 10.2007 11.3019 11.2189 15.888 7.58739 10.3684 numMergedOcc 0
55 mol 58 unq 13 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.78774 7.68678 9.92355 10.2007 9.87158 8.96727 13.3281 9.01564 5.66912 numMergedOcc 0
56 mol 58 unq 14 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.78774 7.68678 9.92355 10.2007 5.86526 8.01308 11.5155 7.11065 5.76523 numMergedOcc 0
57 mol 58 unq 15 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.78774 7.68678 5.93884 10.2007 11.3019 11.2189 13.813 7.58739 10.3684 numMergedOcc 0
58 mol 58 unq 16 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.78774 7.68678 5.93884 10.2007 9.87158 8.96727 9.22598 9.01564 5.66912 numMergedOcc 0
59 mol 58 unq 17 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.78774 7.68678 5.93884 10.2007 5.86526 8.01308 9.55996 7.11065 5.76523 numMergedOcc 0
60 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 10.4782 9.81956 10.8223 8.46823 3.92737 numMergedOcc 0
61 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 3.9764 5.10496 5.92242 4.62494 3.94967 numMergedOcc 0
62 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 10.4782 9.81956 7.54889 8.46823 3.92737 numMergedOcc 0
63 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 3.9764 5.10496 5.2571 4.62494 3.94967 numMergedOcc 0
64 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 10.4782 7.54889 9.81956 8.46823 3.92737 numMergedOcc 0
65 mol 98 unq 5 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 3.9764 5.2571 5.10496 4.62494 3.94967 numMergedOcc 0
66 mol 98 unq 6 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 10.4782 7.54889 10.8223 8.46823 3.92737 numMergedOcc 0
67 mol 98 unq 7 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 3.9764 5.2571 5.92242 4.62494 3.94967 numMergedOcc 0
68 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 10.6848 7.10378 14.8081 9.5057 4.03277 10.5432 8.91882 6.59691 12.48 numMergedOcc 0
69 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 10.6848 7.10378 15.2289 9.5057 4.03277 10.5432 11.5088 6.59691 12.48 numMergedOcc 0
70 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 11.2312 7.38135 15.4031 17.21 6.23008 9.76432 8.91882 6.59691 12.0033 numMergedOcc 0
71 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 11.2312 7.38135 17.2419 17.21 6.23008 9.76432 11.5088 6.59691 12.0033 numMergedOcc 0
72 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 11.2312 7.38135 19.8941 17.21 6.23008 9.76432 11.6812 6.59691 12.0033 numMergedOcc 0
73 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 10.7293 9.36851 16.0242 16.1714 6.28232 11.7541 11.3039 6.34626 16.1557 numMergedOcc 0
74 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 7.29399 4.97175 13.4182 13.8117 6.28232 11.7541 11.3039 6.34626 13.4653 numMergedOcc 0
75 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 7.41674 5.83771 7.80532 6.40575 12.847 13.0242 11.988 9.0176 15.0575 numMergedOcc 0
76 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 7.41674 7.80532 5.83771 6.40575 12.847 11.988 13.0242 9.0176 15.0575 numMergedOcc 0
77 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 8.06642 11.988 7.21868 9.0176 15.0575 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 8.06642 11.988 7.93372 9.0176 15.0575 numMergedOcc 0
79 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 7.20191 9.39829 6.41453 11.8933 5.42158 9.81178 10.6106 8.06308 6.16988 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 5.63555 5.9176 10.4943 10.3104 5.42158 10.6106 9.81178 8.06308 10.513 numMergedOcc 0
81 mol 181 unq 2 iso 0 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 7.20191 6.41453 9.39829 11.8933 5.42158 10.6106 9.81178 8.06308 6.16988 numMergedOcc 0
82 mol 231 unq 0 iso 0 dist 7.37839 8.40182 4.06055 7.79066 9.0443 12.1512 6.37275 6.98875 6.54852 12.7246 4.15084 9.97669 11.4076 9.60504 6.94651 numMergedOcc 0
83 mol 231 unq 1 iso 0 dist 8.40182 7.37839 4.06055 7.79066 12.1512 9.0443 6.37275 6.54852 6.98875 12.7246 4.15084 11.4076 9.97669 9.60504 6.94651 numMergedOcc 0
