0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 9.07726 5.53712 7.06787 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 5.59965 9.07726 5.53712 6.18431 3.92592 7.06787 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 4.74809 7.14069 10.5097 8.58641 12.7656 3.49913 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 4.74809 8.58641 12.7656 7.14069 10.5097 3.49913 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 4.74809 7.14069 10.5097 5.99466 10.2902 6.04869 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 4.74809 5.99466 10.2902 7.14069 10.5097 6.04869 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 4.74809 8.58641 12.7656 5.99466 10.2902 4.86529 numMergedOcc 0
7 mol 20 unq 1 iso 1 dist 4.74809 5.99466 10.2902 8.58641 12.7656 4.86529 numMergedOcc 0
8 mol 20 unq 2 iso 0 dist 7.43882 7.14069 10.3149 8.58641 9.84883 3.49913 numMergedOcc 0
9 mol 20 unq 2 iso 1 dist 7.43882 8.58641 9.84883 7.14069 10.3149 3.49913 numMergedOcc 0
10 mol 20 unq 3 iso 0 dist 7.43882 7.14069 10.3149 5.99466 5.22924 6.04869 numMergedOcc 0
11 mol 20 unq 3 iso 1 dist 7.43882 5.99466 5.22924 7.14069 10.3149 6.04869 numMergedOcc 0
12 mol 20 unq 3 iso 0 dist 7.43882 8.58641 9.84883 5.99466 5.22924 4.86529 numMergedOcc 0
13 mol 20 unq 3 iso 1 dist 7.43882 5.99466 5.22924 8.58641 9.84883 4.86529 numMergedOcc 0
14 mol 20 unq 4 iso 0 dist 7.31198 7.14069 11.2406 8.58641 13.0235 3.49913 numMergedOcc 0
15 mol 20 unq 4 iso 1 dist 7.31198 8.58641 13.0235 7.14069 11.2406 3.49913 numMergedOcc 0
16 mol 20 unq 5 iso 0 dist 7.31198 7.14069 11.2406 5.99466 9.92781 6.04869 numMergedOcc 0
17 mol 20 unq 5 iso 1 dist 7.31198 5.99466 9.92781 7.14069 11.2406 6.04869 numMergedOcc 0
18 mol 20 unq 5 iso 0 dist 7.31198 8.58641 13.0235 5.99466 9.92781 4.86529 numMergedOcc 0
19 mol 20 unq 5 iso 1 dist 7.31198 5.99466 9.92781 8.58641 13.0235 4.86529 numMergedOcc 0
20 mol 21 unq 0 iso 0 dist 8.60289 5.63735 6.29572 6.28263 5.55622 5.3862 numMergedOcc 0
21 mol 21 unq 0 iso 1 dist 8.60289 6.28263 5.55622 5.63735 6.29572 5.3862 numMergedOcc 0
22 mol 24 unq 0 iso 0 dist 8.00171 9.85784 5.70626 9.87996 5.62738 3.75822 numMergedOcc 0
23 mol 24 unq 0 iso 1 dist 8.00171 9.87996 5.62738 9.85784 5.70626 3.75822 numMergedOcc 0
24 mol 24 unq 1 iso 0 dist 5.95834 9.85784 11.6859 9.87996 9.80106 3.75822 numMergedOcc 0
25 mol 24 unq 1 iso 1 dist 5.95834 9.87996 9.80106 9.85784 11.6859 3.75822 numMergedOcc 0
26 mol 24 unq 2 iso 0 dist 5.95834 9.73647 12.5545 7.26334 4.08755 10.512 numMergedOcc 0
27 mol 24 unq 2 iso 1 dist 5.95834 7.26334 4.08755 9.73647 12.5545 10.512 numMergedOcc 0
28 mol 24 unq 3 iso 0 dist 5.95834 9.73647 12.5545 5.78532 6.86136 13.2892 numMergedOcc 0
29 mol 24 unq 3 iso 1 dist 5.95834 5.78532 6.86136 9.73647 12.5545 13.2892 numMergedOcc 0
30 mol 24 unq 3 iso 0 dist 5.95834 7.26334 4.08755 5.78532 6.86136 7.46758 numMergedOcc 0
31 mol 24 unq 3 iso 1 dist 5.95834 5.78532 6.86136 7.26334 4.08755 7.46758 numMergedOcc 0
32 mol 24 unq 4 iso 0 dist 4.2121 9.85784 11.076 9.87996 9.68535 3.75822 numMergedOcc 0
33 mol 24 unq 4 iso 1 dist 4.2121 9.87996 9.68535 9.85784 11.076 3.75822 numMergedOcc 0
34 mol 24 unq 5 iso 0 dist 4.2121 6.19899 4.08755 8.49709 6.86136 7.46758 numMergedOcc 0
35 mol 24 unq 5 iso 1 dist 4.2121 8.49709 6.86136 6.19899 4.08755 7.46758 numMergedOcc 0
36 mol 24 unq 6 iso 0 dist 6.72323 9.85784 14.6305 9.87996 14.3224 3.75822 numMergedOcc 0
37 mol 24 unq 6 iso 1 dist 6.72323 9.87996 14.3224 9.85784 14.6305 3.75822 numMergedOcc 0
38 mol 24 unq 7 iso 0 dist 6.72323 6.61696 4.08755 5.80953 10.0453 10.7501 numMergedOcc 0
39 mol 24 unq 7 iso 1 dist 6.72323 5.80953 10.0453 6.61696 4.08755 10.7501 numMergedOcc 0
40 mol 25 unq 0 iso 0 dist 6.25843 9.16515 4.98822 9.82987 7.91914 5.78812 numMergedOcc 0
41 mol 25 unq 0 iso 1 dist 6.25843 9.82987 7.91914 9.16515 4.98822 5.78812 numMergedOcc 0
42 mol 25 unq 1 iso 0 dist 6.25843 9.16515 4.98822 9.40732 10.9145 12.6527 numMergedOcc 0
43 mol 25 unq 1 iso 1 dist 6.25843 9.40732 10.9145 9.16515 4.98822 12.6527 numMergedOcc 0
44 mol 25 unq 2 iso 0 dist 6.25843 9.16515 4.98822 6.53269 9.62058 12.1732 numMergedOcc 0
45 mol 25 unq 2 iso 1 dist 6.25843 6.53269 9.62058 9.16515 4.98822 12.1732 numMergedOcc 0
46 mol 25 unq 1 iso 0 dist 6.25843 9.82987 7.91914 9.40732 10.9145 8.68941 numMergedOcc 0
47 mol 25 unq 1 iso 1 dist 6.25843 9.40732 10.9145 9.82987 7.91914 8.68941 numMergedOcc 0
48 mol 25 unq 2 iso 0 dist 6.25843 9.82987 7.91914 6.53269 9.62058 9.54872 numMergedOcc 0
49 mol 25 unq 2 iso 1 dist 6.25843 6.53269 9.62058 9.82987 7.91914 9.54872 numMergedOcc 0
50 mol 25 unq 2 iso 0 dist 6.25843 9.40732 10.9145 6.53269 9.62058 3.49276 numMergedOcc 0
51 mol 25 unq 2 iso 1 dist 6.25843 6.53269 9.62058 9.40732 10.9145 3.49276 numMergedOcc 0
52 mol 25 unq 3 iso 0 dist 8.88938 9.16515 13.4321 9.82987 9.66912 5.78812 numMergedOcc 0
53 mol 25 unq 3 iso 1 dist 8.88938 9.82987 9.66912 9.16515 13.4321 5.78812 numMergedOcc 0
54 mol 25 unq 4 iso 0 dist 8.88938 9.16515 13.4321 9.40732 5.86134 12.6527 numMergedOcc 0
55 mol 25 unq 4 iso 1 dist 8.88938 9.40732 5.86134 9.16515 13.4321 12.6527 numMergedOcc 0
56 mol 25 unq 5 iso 0 dist 8.88938 9.16515 13.4321 6.53269 5.38592 12.1732 numMergedOcc 0
57 mol 25 unq 5 iso 1 dist 8.88938 6.53269 5.38592 9.16515 13.4321 12.1732 numMergedOcc 0
58 mol 25 unq 4 iso 0 dist 8.88938 9.82987 9.66912 9.40732 5.86134 8.68941 numMergedOcc 0
59 mol 25 unq 4 iso 1 dist 8.88938 9.40732 5.86134 9.82987 9.66912 8.68941 numMergedOcc 0
60 mol 25 unq 5 iso 0 dist 8.88938 9.82987 9.66912 6.53269 5.38592 9.54872 numMergedOcc 0
61 mol 25 unq 5 iso 1 dist 8.88938 6.53269 5.38592 9.82987 9.66912 9.54872 numMergedOcc 0
62 mol 25 unq 5 iso 0 dist 8.88938 9.40732 5.86134 6.53269 5.38592 3.49276 numMergedOcc 0
63 mol 25 unq 5 iso 1 dist 8.88938 6.53269 5.38592 9.40732 5.86134 3.49276 numMergedOcc 0
64 mol 30 unq 0 iso 0 dist 7.14464 6.00377 5.0755 9.35623 5.39349 3.6458 numMergedOcc 0
65 mol 30 unq 0 iso 1 dist 7.14464 9.35623 5.39349 6.00377 5.0755 3.6458 numMergedOcc 0
66 mol 30 unq 1 iso 0 dist 7.14464 6.00377 5.0755 9.4577 4.02746 6.23294 numMergedOcc 0
67 mol 30 unq 1 iso 1 dist 7.14464 9.4577 4.02746 6.00377 5.0755 6.23294 numMergedOcc 0
68 mol 30 unq 1 iso 0 dist 7.14464 9.35623 5.39349 9.4577 4.02746 4.77197 numMergedOcc 0
69 mol 30 unq 1 iso 1 dist 7.14464 9.4577 4.02746 9.35623 5.39349 4.77197 numMergedOcc 0
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71 mol 73 unq 0 iso 1 dist 8.87464 6.14542 3.85385 8.96616 5.29727 3.30399 numMergedOcc 0
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73 mol 79 unq 0 iso 1 dist 9.78384 6.5551 4.53016 9.77084 3.99035 6.48468 numMergedOcc 0
74 mol 79 unq 1 iso 0 dist 8.87742 9.77084 12.2375 6.5551 13.1414 6.48468 numMergedOcc 0
75 mol 79 unq 1 iso 1 dist 8.87742 6.5551 13.1414 9.77084 12.2375 6.48468 numMergedOcc 0
76 mol 79 unq 2 iso 0 dist 4.93468 9.77084 6.69352 6.5551 6.0749 6.48468 numMergedOcc 0
77 mol 79 unq 2 iso 1 dist 4.93468 6.5551 6.0749 9.77084 6.69352 6.48468 numMergedOcc 0
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79 mol 85 unq 0 iso 1 dist 9.66222 5.71866 12.5181 5.05893 11.0952 3.78063 numMergedOcc 0
80 mol 98 unq 0 iso 0 dist 7.36769 9.25444 3.92737 9.84703 3.94967 6.70343 numMergedOcc 0
81 mol 98 unq 0 iso 1 dist 7.36769 9.84703 3.94967 9.25444 3.92737 6.70343 numMergedOcc 0
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83 mol 98 unq 1 iso 1 dist 6.88901 4.62494 3.94967 8.46823 3.92737 6.70343 numMergedOcc 0
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85 mol 112 unq 0 iso 1 dist 7.80873 6.11407 5.08111 8.72725 8.72143 5.11 numMergedOcc 0
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87 mol 141 unq 0 iso 1 dist 9.83945 6.27658 15.9806 7.42144 16.2294 3.3724 numMergedOcc 0
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89 mol 171 unq 0 iso 1 dist 7.22518 5.74846 11.4302 9.34834 14.0016 6.47468 numMergedOcc 0
90 mol 171 unq 1 iso 0 dist 5.25109 9.34834 10.0655 5.74846 4.88147 6.47468 numMergedOcc 0
91 mol 171 unq 1 iso 1 dist 5.25109 5.74846 4.88147 9.34834 10.0655 6.47468 numMergedOcc 0
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93 mol 181 unq 0 iso 1 dist 7.32087 7.35884 6.39406 9.06571 5.3698 3.56877 numMergedOcc 0
94 mol 181 unq 1 iso 0 dist 7.22883 8.12266 14.2282 9.43306 10.273 10.1041 numMergedOcc 0
95 mol 181 unq 1 iso 1 dist 7.22883 9.43306 10.273 8.12266 14.2282 10.1041 numMergedOcc 0
96 mol 181 unq 2 iso 0 dist 7.22883 8.12266 14.2282 8.59681 5.14966 13.0097 numMergedOcc 0
97 mol 181 unq 2 iso 1 dist 7.22883 8.59681 5.14966 8.12266 14.2282 13.0097 numMergedOcc 0
98 mol 181 unq 2 iso 0 dist 7.22883 9.43306 10.273 8.59681 5.14966 6.02942 numMergedOcc 0
99 mol 181 unq 2 iso 1 dist 7.22883 8.59681 5.14966 9.43306 10.273 6.02942 numMergedOcc 0
100 mol 194 unq 0 iso 0 dist 6.1886 4.19371 4.002 9.71015 7.09553 6.41254 numMergedOcc 0
101 mol 194 unq 0 iso 1 dist 6.1886 9.71015 7.09553 4.19371 4.002 6.41254 numMergedOcc 0
102 mol 196 unq 0 iso 0 dist 9.62455 8.48879 5.40367 5.89591 11.2785 7.12401 numMergedOcc 0
103 mol 196 unq 0 iso 1 dist 9.62455 5.89591 11.2785 8.48879 5.40367 7.12401 numMergedOcc 0
104 mol 196 unq 1 iso 0 dist 9.62455 8.48879 5.40367 9.72376 17.7382 13.9022 numMergedOcc 0
105 mol 196 unq 1 iso 1 dist 9.62455 9.72376 17.7382 8.48879 5.40367 13.9022 numMergedOcc 0
106 mol 196 unq 1 iso 0 dist 9.62455 5.89591 11.2785 9.72376 17.7382 6.81108 numMergedOcc 0
107 mol 196 unq 1 iso 1 dist 9.62455 9.72376 17.7382 5.89591 11.2785 6.81108 numMergedOcc 0
108 mol 225 unq 0 iso 0 dist 8.37739 6.94762 3.94409 9.89167 8.31193 11.1622 numMergedOcc 0
109 mol 225 unq 0 iso 1 dist 8.37739 9.89167 8.31193 6.94762 3.94409 11.1622 numMergedOcc 0
110 mol 225 unq 1 iso 0 dist 9.47237 6.94762 6.88465 9.89167 6.8122 11.1622 numMergedOcc 0
111 mol 225 unq 1 iso 1 dist 9.47237 9.89167 6.8122 6.94762 6.88465 11.1622 numMergedOcc 0
112 mol 260 unq 0 iso 0 dist 9.32954 6.75725 9.07649 9.31888 9.46408 14.374 numMergedOcc 0
113 mol 260 unq 0 iso 1 dist 9.32954 9.31888 9.46408 6.75725 9.07649 14.374 numMergedOcc 0
114 mol 273 unq 0 iso 0 dist 7.16346 7.85836 8.43367 6.35532 3.78984 4.80896 numMergedOcc 0
115 mol 273 unq 0 iso 1 dist 7.16346 6.35532 3.78984 7.85836 8.43367 4.80896 numMergedOcc 0
116 mol 274 unq 0 iso 0 dist 7.75216 7.77765 13.9324 9.65868 10.7442 13.5848 numMergedOcc 0
117 mol 274 unq 0 iso 1 dist 7.75216 9.65868 10.7442 7.77765 13.9324 13.5848 numMergedOcc 0
