0 mol 20 unq 0 iso 0 dist 6.09764 4.95725 7.14069 5.84217 8.58641 3.49913 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 6.09764 5.84217 8.58641 4.95725 7.14069 3.49913 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 6.09764 4.95725 7.14069 4.18921 5.99466 6.04869 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 6.09764 4.18921 5.99466 4.95725 7.14069 6.04869 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 6.09764 5.84217 8.58641 4.18921 5.99466 4.86529 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 6.09764 4.18921 5.99466 5.84217 8.58641 4.86529 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.41441 9.88364 9.85784 9.78753 9.87996 3.75822 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 9.41441 9.78753 9.87996 9.88364 9.85784 3.75822 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.01567 8.91183 6.19899 13.0212 8.49709 7.46758 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 9.01567 13.0212 8.49709 8.91183 6.19899 7.46758 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.73939 15.4313 9.85784 14.1829 9.87996 3.75822 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 6.73939 14.1829 9.87996 15.4313 9.85784 3.75822 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.4051 10.1698 6.61696 13.6174 5.80953 10.7501 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.4051 13.6174 5.80953 10.1698 6.61696 10.7501 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 7.29868 8.91183 6.61696 5.69214 5.80953 10.7501 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 7.29868 5.69214 5.80953 8.91183 6.61696 10.7501 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 8.60554 14.8647 6.61696 5.11636 5.80953 10.7501 numMergedOcc 0
17 mol 24 unq 5 iso 1 dist 8.60554 5.11636 5.80953 14.8647 6.61696 10.7501 numMergedOcc 0
18 mol 24 unq 6 iso 0 dist 8.23446 5.73029 9.33304 6.28159 4.5711 6.08292 numMergedOcc 0
19 mol 24 unq 6 iso 1 dist 8.23446 6.28159 4.5711 5.73029 9.33304 6.08292 numMergedOcc 0
20 mol 24 unq 7 iso 0 dist 8.23446 5.73029 9.33304 5.50396 4.44526 8.40153 numMergedOcc 0
21 mol 24 unq 7 iso 1 dist 8.23446 5.50396 4.44526 5.73029 9.33304 8.40153 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 8.23446 6.28159 4.5711 5.50396 4.44526 3.73215 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 8.23446 5.50396 4.44526 6.28159 4.5711 3.73215 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 8.87757 4.69295 9.16515 8.79309 9.82987 5.78812 numMergedOcc 0
25 mol 25 unq 0 iso 1 dist 8.87757 8.79309 9.82987 4.69295 9.16515 5.78812 numMergedOcc 0
26 mol 25 unq 1 iso 0 dist 8.87757 4.69295 9.16515 14.9206 9.40732 12.6527 numMergedOcc 0
27 mol 25 unq 1 iso 1 dist 8.87757 14.9206 9.40732 4.69295 9.16515 12.6527 numMergedOcc 0
28 mol 25 unq 2 iso 0 dist 8.87757 4.69295 9.16515 13.6145 6.53269 12.1732 numMergedOcc 0
29 mol 25 unq 2 iso 1 dist 8.87757 13.6145 6.53269 4.69295 9.16515 12.1732 numMergedOcc 0
30 mol 25 unq 1 iso 0 dist 8.87757 8.79309 9.82987 14.9206 9.40732 8.68941 numMergedOcc 0
31 mol 25 unq 1 iso 1 dist 8.87757 14.9206 9.40732 8.79309 9.82987 8.68941 numMergedOcc 0
32 mol 25 unq 2 iso 0 dist 8.87757 8.79309 9.82987 13.6145 6.53269 9.54872 numMergedOcc 0
33 mol 25 unq 2 iso 1 dist 8.87757 13.6145 6.53269 8.79309 9.82987 9.54872 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 8.87757 14.9206 9.40732 13.6145 6.53269 3.49276 numMergedOcc 0
35 mol 25 unq 2 iso 1 dist 8.87757 13.6145 6.53269 14.9206 9.40732 3.49276 numMergedOcc 0
36 mol 25 unq 3 iso 0 dist 8.50222 13.2447 9.16515 11.8139 9.82987 5.78812 numMergedOcc 0
37 mol 25 unq 3 iso 1 dist 8.50222 11.8139 9.82987 13.2447 9.16515 5.78812 numMergedOcc 0
38 mol 25 unq 4 iso 0 dist 8.50222 13.2447 9.16515 6.28979 9.40732 12.6527 numMergedOcc 0
39 mol 25 unq 4 iso 1 dist 8.50222 6.28979 9.40732 13.2447 9.16515 12.6527 numMergedOcc 0
40 mol 25 unq 5 iso 0 dist 8.50222 13.2447 9.16515 5.18617 6.53269 12.1732 numMergedOcc 0
41 mol 25 unq 5 iso 1 dist 8.50222 5.18617 6.53269 13.2447 9.16515 12.1732 numMergedOcc 0
42 mol 25 unq 4 iso 0 dist 8.50222 11.8139 9.82987 6.28979 9.40732 8.68941 numMergedOcc 0
43 mol 25 unq 4 iso 1 dist 8.50222 6.28979 9.40732 11.8139 9.82987 8.68941 numMergedOcc 0
44 mol 25 unq 5 iso 0 dist 8.50222 11.8139 9.82987 5.18617 6.53269 9.54872 numMergedOcc 0
45 mol 25 unq 5 iso 1 dist 8.50222 5.18617 6.53269 11.8139 9.82987 9.54872 numMergedOcc 0
46 mol 25 unq 5 iso 0 dist 8.50222 6.28979 9.40732 5.18617 6.53269 3.49276 numMergedOcc 0
47 mol 25 unq 5 iso 1 dist 8.50222 5.18617 6.53269 6.28979 9.40732 3.49276 numMergedOcc 0
48 mol 25 unq 6 iso 0 dist 7.55264 14.9982 9.16515 14.1251 9.82987 5.78812 numMergedOcc 0
49 mol 25 unq 6 iso 1 dist 7.55264 14.1251 9.82987 14.9982 9.16515 5.78812 numMergedOcc 0
50 mol 25 unq 7 iso 0 dist 7.55264 14.9982 9.16515 8.41421 9.40732 12.6527 numMergedOcc 0
51 mol 25 unq 7 iso 1 dist 7.55264 8.41421 9.40732 14.9982 9.16515 12.6527 numMergedOcc 0
52 mol 25 unq 8 iso 0 dist 7.55264 14.9982 9.16515 5.68041 6.53269 12.1732 numMergedOcc 0
53 mol 25 unq 8 iso 1 dist 7.55264 5.68041 6.53269 14.9982 9.16515 12.1732 numMergedOcc 0
54 mol 25 unq 7 iso 0 dist 7.55264 14.1251 9.82987 8.41421 9.40732 8.68941 numMergedOcc 0
55 mol 25 unq 7 iso 1 dist 7.55264 8.41421 9.40732 14.1251 9.82987 8.68941 numMergedOcc 0
56 mol 25 unq 8 iso 0 dist 7.55264 14.1251 9.82987 5.68041 6.53269 9.54872 numMergedOcc 0
57 mol 25 unq 8 iso 1 dist 7.55264 5.68041 6.53269 14.1251 9.82987 9.54872 numMergedOcc 0
58 mol 25 unq 8 iso 0 dist 7.55264 8.41421 9.40732 5.68041 6.53269 3.49276 numMergedOcc 0
59 mol 25 unq 8 iso 1 dist 7.55264 5.68041 6.53269 8.41421 9.40732 3.49276 numMergedOcc 0
60 mol 58 unq 0 iso 0 dist 8.80614 11.3019 7.58739 9.87158 9.01564 7.13086 numMergedOcc 0
61 mol 58 unq 0 iso 1 dist 8.80614 9.87158 9.01564 11.3019 7.58739 7.13086 numMergedOcc 0
62 mol 58 unq 1 iso 0 dist 8.80614 11.3019 7.58739 5.86526 7.11065 5.68445 numMergedOcc 0
63 mol 58 unq 1 iso 1 dist 8.80614 5.86526 7.11065 11.3019 7.58739 5.68445 numMergedOcc 0
64 mol 58 unq 1 iso 0 dist 8.80614 9.87158 9.01564 5.86526 7.11065 6.20884 numMergedOcc 0
65 mol 58 unq 1 iso 1 dist 8.80614 5.86526 7.11065 9.87158 9.01564 6.20884 numMergedOcc 0
66 mol 72 unq 0 iso 0 dist 9.27838 5.69391 7.58875 5.57624 9.52749 4.86472 numMergedOcc 0
67 mol 72 unq 0 iso 1 dist 9.27838 5.57624 9.52749 5.69391 7.58875 4.86472 numMergedOcc 0
68 mol 72 unq 1 iso 0 dist 9.27838 5.69391 7.58875 4.03844 6.91169 4.85556 numMergedOcc 0
69 mol 72 unq 1 iso 1 dist 9.27838 4.03844 6.91169 5.69391 7.58875 4.85556 numMergedOcc 0
70 mol 72 unq 1 iso 0 dist 9.27838 5.57624 9.52749 4.03844 6.91169 3.44489 numMergedOcc 0
71 mol 72 unq 1 iso 1 dist 9.27838 4.03844 6.91169 5.57624 9.52749 3.44489 numMergedOcc 0
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75 mol 85 unq 0 iso 1 dist 9.82915 14.7521 5.71866 11.9064 5.05893 3.78063 numMergedOcc 0
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83 mol 171 unq 1 iso 1 dist 5.93786 9.14311 5.74846 9.35703 9.34834 6.47468 numMergedOcc 0
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85 mol 171 unq 2 iso 1 dist 8.24693 13.6262 5.74846 14.4375 9.34834 6.47468 numMergedOcc 0
86 mol 171 unq 3 iso 0 dist 7.36698 4.66982 9.34834 3.65288 5.74846 6.47468 numMergedOcc 0
87 mol 171 unq 3 iso 1 dist 7.36698 3.65288 5.74846 4.66982 9.34834 6.47468 numMergedOcc 0
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91 mol 181 unq 1 iso 1 dist 5.9176 5.12833 9.43306 10.6474 8.12266 10.1041 numMergedOcc 0
92 mol 181 unq 2 iso 0 dist 5.9176 10.6474 8.12266 4.61184 8.59681 13.0097 numMergedOcc 0
93 mol 181 unq 2 iso 1 dist 5.9176 4.61184 8.59681 10.6474 8.12266 13.0097 numMergedOcc 0
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95 mol 181 unq 2 iso 1 dist 5.9176 4.61184 8.59681 5.12833 9.43306 6.02942 numMergedOcc 0
96 mol 181 unq 3 iso 0 dist 9.39829 5.71898 5.99437 5.83796 8.4848 3.55187 numMergedOcc 0
97 mol 181 unq 3 iso 1 dist 9.39829 5.83796 8.4848 5.71898 5.99437 3.55187 numMergedOcc 0
98 mol 181 unq 4 iso 0 dist 6.41453 5.93724 5.99437 5.12833 8.4848 3.55187 numMergedOcc 0
99 mol 181 unq 4 iso 1 dist 6.41453 5.12833 8.4848 5.93724 5.99437 3.55187 numMergedOcc 0
100 mol 194 unq 0 iso 0 dist 8.65535 10.0756 4.19371 16.4082 9.71015 6.41254 numMergedOcc 0
101 mol 194 unq 0 iso 1 dist 8.65535 16.4082 9.71015 10.0756 4.19371 6.41254 numMergedOcc 0
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103 mol 222 unq 0 iso 1 dist 7.67576 9.53117 8.23406 6.84862 8.43195 3.58181 numMergedOcc 0
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105 mol 273 unq 0 iso 1 dist 8.83865 8.56043 6.35532 4.24707 7.85836 4.80896 numMergedOcc 0
106 mol 273 unq 1 iso 0 dist 9.18157 6.65672 7.85836 8.81454 6.35532 4.80896 numMergedOcc 0
107 mol 273 unq 1 iso 1 dist 9.18157 8.81454 6.35532 6.65672 7.85836 4.80896 numMergedOcc 0
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109 mol 274 unq 0 iso 1 dist 7.46394 14.7507 9.65868 5.22914 7.77765 13.5848 numMergedOcc 0
110 mol 274 unq 1 iso 0 dist 9.45514 12.393 7.77765 8.87855 9.65868 13.5848 numMergedOcc 0
111 mol 274 unq 1 iso 1 dist 9.45514 8.87855 9.65868 12.393 7.77765 13.5848 numMergedOcc 0
112 mol 274 unq 2 iso 0 dist 8.91672 16.5034 7.77765 12.5615 9.65868 13.5848 numMergedOcc 0
113 mol 274 unq 2 iso 1 dist 8.91672 12.5615 9.65868 16.5034 7.77765 13.5848 numMergedOcc 0
114 mol 274 unq 3 iso 0 dist 7.1729 10.2884 7.77765 13.0867 9.65868 13.5848 numMergedOcc 0
115 mol 274 unq 3 iso 1 dist 7.1729 13.0867 9.65868 10.2884 7.77765 13.5848 numMergedOcc 0
