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2 mol 16 unq 1 iso 0 dist 6.57331 6.42835 6.09368 6.92781 8.43054 11.0298 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.48085 4.79873 12.7147 10.9391 9.49421 12.3944 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.49421 7.52933 16.0628 10.9391 9.48085 16.4232 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 9.49421 6.55597 12.1732 10.9391 9.48085 11.037 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 9.49421 9.71956 8.99147 10.9391 9.48085 14.581 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 9.49421 7.07751 9.54872 10.9391 9.48085 13.0315 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 9.49421 8.23761 14.6175 10.9391 9.48085 17.2964 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 4.81926 9.22598 9.55996 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 7.48086 9.95132 8.42811 6.54743 7.57295 12.544 numMergedOcc 0
11 mol 60 unq 1 iso 0 dist 7.48086 9.95132 8.42811 5.00018 8.4312 14.0656 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 7.04035 9.74228 10.7906 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 6.21799 5.03251 3.43675 8.24309 7.12321 9.35457 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 6.21799 7.66093 5.75711 7.04035 9.74228 12.952 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 6.21799 7.66093 5.75711 8.24309 7.12321 12.1131 numMergedOcc 0
16 mol 72 unq 4 iso 0 dist 5.03251 6.21799 3.43675 5.8486 9.56773 10.9808 numMergedOcc 0
17 mol 72 unq 5 iso 0 dist 5.03251 7.66093 5.26077 5.8486 9.56773 13.336 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.4369 8.68662 3.30399 5.4148 9.73086 12.2276 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 5.5087 6.08682 5.30471 8.07446 5.61588 7.83244 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 5.61588 8.72682 9.76138 8.07446 5.5087 10.2939 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 5.61588 6.45841 3.32668 8.07446 5.5087 8.62198 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 5.61588 7.83244 5.30471 8.07446 5.5087 6.08682 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 6.08682 5.5087 5.30471 8.07446 7.83244 5.61588 numMergedOcc 0
24 mol 73 unq 6 iso 0 dist 7.83244 8.72682 5.81659 8.07446 6.08682 10.2939 numMergedOcc 0
25 mol 73 unq 7 iso 0 dist 7.83244 6.45841 8.07648 8.07446 6.08682 8.62198 numMergedOcc 0
26 mol 73 unq 8 iso 0 dist 7.83244 5.61588 5.30471 8.07446 6.08682 5.5087 numMergedOcc 0
27 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 7.19663 8.65848 12.35 numMergedOcc 0
28 mol 78 unq 1 iso 0 dist 8.65848 7.25801 7.95975 7.19663 6.85523 11.5776 numMergedOcc 0
29 mol 89 unq 0 iso 0 dist 7.47974 6.53308 7.04263 9.1532 8.40422 13.0722 numMergedOcc 0
30 mol 89 unq 1 iso 0 dist 7.47974 6.53308 7.04263 4.8812 8.40425 10.7697 numMergedOcc 0
31 mol 89 unq 2 iso 0 dist 7.47974 6.53308 7.04263 10.4087 5.51831 12.3442 numMergedOcc 0
32 mol 89 unq 3 iso 0 dist 7.47974 6.53308 7.04263 10.8948 9.65149 15.1929 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 8.27883 5.75428 6.27231 6.59884 7.7152 10.0848 numMergedOcc 0
34 mol 95 unq 1 iso 0 dist 8.27883 8.57395 11.734 6.59884 7.7152 14.2618 numMergedOcc 0
35 mol 95 unq 2 iso 0 dist 8.27883 9.85409 17.4304 6.59884 7.7152 15.9129 numMergedOcc 0
36 mol 98 unq 0 iso 0 dist 5.92242 7.02507 9.6331 9.51923 5.10496 9.89095 numMergedOcc 0
37 mol 98 unq 1 iso 0 dist 5.92242 7.02507 9.6331 9.42358 5.2571 12.7417 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.92242 7.02507 9.6331 13.9786 8.7497 17.1287 numMergedOcc 0
39 mol 98 unq 3 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 numMergedOcc 0
41 mol 98 unq 5 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 numMergedOcc 0
42 mol 98 unq 6 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 numMergedOcc 0
43 mol 98 unq 7 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 numMergedOcc 0
44 mol 98 unq 8 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 numMergedOcc 0
45 mol 98 unq 9 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 numMergedOcc 0
46 mol 98 unq 10 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 numMergedOcc 0
47 mol 98 unq 11 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 numMergedOcc 0
48 mol 98 unq 12 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 numMergedOcc 0
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52 mol 112 unq 1 iso 0 dist 8.47988 8.0427 6.38762 4.8896 9.02706 9.39168 numMergedOcc 0
53 mol 112 unq 2 iso 0 dist 9.39168 9.02706 6.38762 4.8896 8.0427 8.47988 numMergedOcc 0
54 mol 112 unq 3 iso 0 dist 8.0427 8.47988 6.38762 4.8896 9.39168 9.02706 numMergedOcc 0
55 mol 115 unq 0 iso 0 dist 9.42082 7.69765 11.044 7.69052 6.39384 13.4105 numMergedOcc 0
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57 mol 134 unq 1 iso 0 dist 6.42772 9.10524 7.62195 11.6064 9.1998 12.1179 numMergedOcc 0
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61 mol 134 unq 5 iso 0 dist 9.1998 8.69531 5.83782 11.6064 6.42772 9.70973 numMergedOcc 0
62 mol 134 unq 6 iso 0 dist 9.1998 8.69531 5.83782 7.09823 8.70621 10.3432 numMergedOcc 0
63 mol 134 unq 7 iso 0 dist 8.69531 9.1998 5.83782 6.81259 9.33094 11.0808 numMergedOcc 0
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66 mol 134 unq 10 iso 0 dist 8.70621 5.35237 6.05407 7.09823 9.1998 9.71716 numMergedOcc 0
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124 mol 292 unq 1 iso 0 dist 9.9182 8.9221 9.43063 12.1693 9.10788 8.85064 numMergedOcc 0
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126 mol 292 unq 3 iso 0 dist 7.30758 9.46442 3.57128 12.6861 9.10788 9.96037 numMergedOcc 0
127 mol 292 unq 4 iso 0 dist 7.30758 9.5785 10.0941 10.3106 9.9182 13.7082 numMergedOcc 0
128 mol 292 unq 5 iso 0 dist 7.30758 9.5785 10.0941 12.6861 9.10788 18.9744 numMergedOcc 0
129 mol 292 unq 6 iso 0 dist 7.30758 9.76319 13.2166 10.3106 9.9182 18.0254 numMergedOcc 0
130 mol 292 unq 7 iso 0 dist 7.30758 9.76319 13.2166 12.6861 9.10788 21.1604 numMergedOcc 0
131 mol 292 unq 8 iso 0 dist 9.10788 8.85064 9.43063 12.1693 9.9182 8.9221 numMergedOcc 0
132 mol 292 unq 9 iso 0 dist 9.10788 8.85064 9.43063 12.6861 7.30758 14.8054 numMergedOcc 0
133 mol 292 unq 10 iso 0 dist 9.90967 9.9886 8.10966 11.8061 8.38121 10.9396 numMergedOcc 0
134 mol 292 unq 11 iso 0 dist 8.38121 7.20674 9.14614 11.8061 9.90967 10.1532 numMergedOcc 0
135 mol 292 unq 12 iso 0 dist 8.9221 9.9182 9.43063 12.1693 8.85064 9.10788 numMergedOcc 0
136 mol 292 unq 13 iso 0 dist 8.85064 9.10788 9.43063 12.1693 8.9221 9.9182 numMergedOcc 0
