0 mol 16 unq 0 iso 0 dist 9.47421 12.558 7.03948 5.66097 5.47769 6.92781 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.47421 5.66097 5.47769 12.558 7.03948 6.92781 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.47421 12.558 7.03948 6.06561 6.58035 10.7015 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 9.47421 6.06561 6.58035 12.558 7.03948 10.7015 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 9.47421 5.66097 5.47769 6.06561 6.58035 5.32694 numMergedOcc 0
5 mol 16 unq 1 iso 1 dist 9.47421 6.06561 6.58035 5.66097 5.47769 5.32694 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 5.36258 6.57145 8.23643 6.01189 8.73972 5.03957 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 5.36258 6.01189 8.73972 6.57145 8.23643 5.03957 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.64746 9.95527 8.68586 6.41829 9.54144 10.6748 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 8.64746 6.41829 9.54144 9.95527 8.68586 10.6748 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 7.14313 5.2027 6.33365 6.77761 5.15851 9.02771 numMergedOcc 0
11 mol 75 unq 0 iso 1 dist 7.14313 6.77761 5.15851 5.2027 6.33365 9.02771 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 8.26819 12.5382 6.33365 5.56574 5.15851 9.02771 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 8.26819 5.56574 5.15851 12.5382 6.33365 9.02771 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 8.81198 12.0855 6.87861 5.74878 6.50039 10.4294 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 8.81198 5.74878 6.50039 12.0855 6.87861 10.4294 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.36583 6.24736 6.19042 5.81718 8.43904 9.22558 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 6.36583 5.81718 8.43904 6.24736 6.19042 9.22558 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 5.45159 5.9827 6.192 7.79941 7.69308 5.30124 numMergedOcc 0
19 mol 127 unq 0 iso 1 dist 5.45159 7.79941 7.69308 5.9827 6.192 5.30124 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 5.45159 5.9827 6.192 13.8098 8.59981 11.279 numMergedOcc 0
21 mol 127 unq 1 iso 1 dist 5.45159 13.8098 8.59981 5.9827 6.192 11.279 numMergedOcc 0
22 mol 127 unq 2 iso 0 dist 5.45159 5.9827 6.192 12.0185 7.66331 8.77327 numMergedOcc 0
23 mol 127 unq 2 iso 1 dist 5.45159 12.0185 7.66331 5.9827 6.192 8.77327 numMergedOcc 0
24 mol 127 unq 1 iso 0 dist 5.45159 7.79941 7.69308 13.8098 8.59981 11.4958 numMergedOcc 0
25 mol 127 unq 1 iso 1 dist 5.45159 13.8098 8.59981 7.79941 7.69308 11.4958 numMergedOcc 0
26 mol 127 unq 2 iso 0 dist 5.45159 7.79941 7.69308 12.0185 7.66331 11.521 numMergedOcc 0
27 mol 127 unq 2 iso 1 dist 5.45159 12.0185 7.66331 7.79941 7.69308 11.521 numMergedOcc 0
28 mol 127 unq 2 iso 0 dist 5.45159 13.8098 8.59981 12.0185 7.66331 5.55757 numMergedOcc 0
29 mol 127 unq 2 iso 1 dist 5.45159 12.0185 7.66331 13.8098 8.59981 5.55757 numMergedOcc 0
30 mol 127 unq 3 iso 0 dist 4.9835 7.96613 6.192 6.32804 7.69308 5.30124 numMergedOcc 0
31 mol 127 unq 3 iso 1 dist 4.9835 6.32804 7.69308 7.96613 6.192 5.30124 numMergedOcc 0
32 mol 127 unq 4 iso 0 dist 4.9835 7.96613 6.192 11.5038 8.59981 11.279 numMergedOcc 0
33 mol 127 unq 4 iso 1 dist 4.9835 11.5038 8.59981 7.96613 6.192 11.279 numMergedOcc 0
34 mol 127 unq 5 iso 0 dist 4.9835 7.96613 6.192 12.1032 7.66331 8.77327 numMergedOcc 0
35 mol 127 unq 5 iso 1 dist 4.9835 12.1032 7.66331 7.96613 6.192 8.77327 numMergedOcc 0
36 mol 127 unq 4 iso 0 dist 4.9835 6.32804 7.69308 11.5038 8.59981 11.4958 numMergedOcc 0
37 mol 127 unq 4 iso 1 dist 4.9835 11.5038 8.59981 6.32804 7.69308 11.4958 numMergedOcc 0
38 mol 127 unq 5 iso 0 dist 4.9835 6.32804 7.69308 12.1032 7.66331 11.521 numMergedOcc 0
39 mol 127 unq 5 iso 1 dist 4.9835 12.1032 7.66331 6.32804 7.69308 11.521 numMergedOcc 0
40 mol 127 unq 5 iso 0 dist 4.9835 11.5038 8.59981 12.1032 7.66331 5.55757 numMergedOcc 0
41 mol 127 unq 5 iso 1 dist 4.9835 12.1032 7.66331 11.5038 8.59981 5.55757 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 8.54318 10.0656 7.16254 12.7034 9.14392 5.71071 numMergedOcc 0
43 mol 155 unq 0 iso 1 dist 8.54318 12.7034 9.14392 10.0656 7.16254 5.71071 numMergedOcc 0
44 mol 173 unq 0 iso 0 dist 7.33162 7.92818 7.93331 8.40346 6.98095 4.83994 numMergedOcc 0
45 mol 173 unq 0 iso 1 dist 7.33162 8.40346 6.98095 7.92818 7.93331 4.83994 numMergedOcc 0
46 mol 173 unq 1 iso 0 dist 7.33162 7.92818 7.93331 11.3291 8.31897 5.16343 numMergedOcc 0
47 mol 173 unq 1 iso 1 dist 7.33162 11.3291 8.31897 7.92818 7.93331 5.16343 numMergedOcc 0
48 mol 173 unq 1 iso 0 dist 7.33162 8.40346 6.98095 11.3291 8.31897 8.17887 numMergedOcc 0
49 mol 173 unq 1 iso 1 dist 7.33162 11.3291 8.31897 8.40346 6.98095 8.17887 numMergedOcc 0
50 mol 183 unq 0 iso 0 dist 8.57818 12.3545 9.93083 5.72 7.01383 6.64382 numMergedOcc 0
51 mol 183 unq 0 iso 1 dist 8.57818 5.72 7.01383 12.3545 9.93083 6.64382 numMergedOcc 0
52 mol 228 unq 0 iso 0 dist 8.10816 5.85714 8.06181 10.5025 8.38048 5.43096 numMergedOcc 0
53 mol 228 unq 0 iso 1 dist 8.10816 10.5025 8.38048 5.85714 8.06181 5.43096 numMergedOcc 0
54 mol 228 unq 1 iso 0 dist 8.10816 5.85714 8.06181 14.2891 7.65132 11.1899 numMergedOcc 0
55 mol 228 unq 1 iso 1 dist 8.10816 14.2891 7.65132 5.85714 8.06181 11.1899 numMergedOcc 0
56 mol 228 unq 2 iso 0 dist 8.10816 5.85714 8.06181 10.0386 8.53764 5.93014 numMergedOcc 0
57 mol 228 unq 2 iso 1 dist 8.10816 10.0386 8.53764 5.85714 8.06181 5.93014 numMergedOcc 0
58 mol 228 unq 1 iso 0 dist 8.10816 10.5025 8.38048 14.2891 7.65132 7.09673 numMergedOcc 0
59 mol 228 unq 1 iso 1 dist 8.10816 14.2891 7.65132 10.5025 8.38048 7.09673 numMergedOcc 0
60 mol 228 unq 2 iso 0 dist 8.10816 10.5025 8.38048 10.0386 8.53764 6.61579 numMergedOcc 0
61 mol 228 unq 2 iso 1 dist 8.10816 10.0386 8.53764 10.5025 8.38048 6.61579 numMergedOcc 0
62 mol 228 unq 2 iso 0 dist 8.10816 14.2891 7.65132 10.0386 8.53764 10.2985 numMergedOcc 0
63 mol 228 unq 2 iso 1 dist 8.10816 10.0386 8.53764 14.2891 7.65132 10.2985 numMergedOcc 0
64 mol 228 unq 3 iso 0 dist 7.81837 14.5035 8.06181 11.9658 8.38048 5.43096 numMergedOcc 0
65 mol 228 unq 3 iso 1 dist 7.81837 11.9658 8.38048 14.5035 8.06181 5.43096 numMergedOcc 0
66 mol 228 unq 4 iso 0 dist 7.81837 14.5035 8.06181 5.84747 7.65132 11.1899 numMergedOcc 0
67 mol 228 unq 4 iso 1 dist 7.81837 5.84747 7.65132 14.5035 8.06181 11.1899 numMergedOcc 0
68 mol 228 unq 5 iso 0 dist 7.81837 14.5035 8.06181 12.7016 8.53764 5.93014 numMergedOcc 0
69 mol 228 unq 5 iso 1 dist 7.81837 12.7016 8.53764 14.5035 8.06181 5.93014 numMergedOcc 0
70 mol 228 unq 4 iso 0 dist 7.81837 11.9658 8.38048 5.84747 7.65132 7.09673 numMergedOcc 0
71 mol 228 unq 4 iso 1 dist 7.81837 5.84747 7.65132 11.9658 8.38048 7.09673 numMergedOcc 0
72 mol 228 unq 5 iso 0 dist 7.81837 11.9658 8.38048 12.7016 8.53764 6.61579 numMergedOcc 0
73 mol 228 unq 5 iso 1 dist 7.81837 12.7016 8.53764 11.9658 8.38048 6.61579 numMergedOcc 0
74 mol 228 unq 5 iso 0 dist 7.81837 5.84747 7.65132 12.7016 8.53764 10.2985 numMergedOcc 0
75 mol 228 unq 5 iso 1 dist 7.81837 12.7016 8.53764 5.84747 7.65132 10.2985 numMergedOcc 0
76 mol 228 unq 6 iso 0 dist 7.95486 5.79543 7.77367 10.4968 8.20909 5.42695 numMergedOcc 0
77 mol 228 unq 6 iso 1 dist 7.95486 10.4968 8.20909 5.79543 7.77367 5.42695 numMergedOcc 0
78 mol 228 unq 7 iso 0 dist 7.95486 5.79543 7.77367 14.5051 7.94506 11.3702 numMergedOcc 0
79 mol 228 unq 7 iso 1 dist 7.95486 14.5051 7.94506 5.79543 7.77367 11.3702 numMergedOcc 0
80 mol 228 unq 8 iso 0 dist 7.95486 5.79543 7.77367 10.0847 8.15494 6.001 numMergedOcc 0
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82 mol 228 unq 7 iso 0 dist 7.95486 10.4968 8.20909 14.5051 7.94506 7.22215 numMergedOcc 0
83 mol 228 unq 7 iso 1 dist 7.95486 14.5051 7.94506 10.4968 8.20909 7.22215 numMergedOcc 0
84 mol 228 unq 8 iso 0 dist 7.95486 10.4968 8.20909 10.0847 8.15494 6.44695 numMergedOcc 0
85 mol 228 unq 8 iso 1 dist 7.95486 10.0847 8.15494 10.4968 8.20909 6.44695 numMergedOcc 0
86 mol 228 unq 8 iso 0 dist 7.95486 14.5051 7.94506 10.0847 8.15494 10.3635 numMergedOcc 0
87 mol 228 unq 8 iso 1 dist 7.95486 10.0847 8.15494 14.5051 7.94506 10.3635 numMergedOcc 0
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89 mol 228 unq 9 iso 1 dist 7.97746 11.8013 8.20909 14.4066 7.77367 5.42695 numMergedOcc 0
90 mol 228 unq 10 iso 0 dist 7.97746 14.4066 7.77367 5.70777 7.94506 11.3702 numMergedOcc 0
91 mol 228 unq 10 iso 1 dist 7.97746 5.70777 7.94506 14.4066 7.77367 11.3702 numMergedOcc 0
92 mol 228 unq 11 iso 0 dist 7.97746 14.4066 7.77367 12.5209 8.15494 6.001 numMergedOcc 0
93 mol 228 unq 11 iso 1 dist 7.97746 12.5209 8.15494 14.4066 7.77367 6.001 numMergedOcc 0
94 mol 228 unq 10 iso 0 dist 7.97746 11.8013 8.20909 5.70777 7.94506 7.22215 numMergedOcc 0
95 mol 228 unq 10 iso 1 dist 7.97746 5.70777 7.94506 11.8013 8.20909 7.22215 numMergedOcc 0
96 mol 228 unq 11 iso 0 dist 7.97746 11.8013 8.20909 12.5209 8.15494 6.44695 numMergedOcc 0
97 mol 228 unq 11 iso 1 dist 7.97746 12.5209 8.15494 11.8013 8.20909 6.44695 numMergedOcc 0
98 mol 228 unq 11 iso 0 dist 7.97746 5.70777 7.94506 12.5209 8.15494 10.3635 numMergedOcc 0
99 mol 228 unq 11 iso 1 dist 7.97746 12.5209 8.15494 5.70777 7.94506 10.3635 numMergedOcc 0
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101 mol 236 unq 0 iso 1 dist 5.77356 7.77821 5.34718 5.27568 7.17676 7.28249 numMergedOcc 0
102 mol 238 unq 0 iso 0 dist 7.87164 14.8949 9.68513 11.2453 9.29858 10.1648 numMergedOcc 0
103 mol 238 unq 0 iso 1 dist 7.87164 11.2453 9.29858 14.8949 9.68513 10.1648 numMergedOcc 0
104 mol 249 unq 0 iso 0 dist 9.02486 6.28944 8.96876 12.5843 8.83735 8.34718 numMergedOcc 0
105 mol 249 unq 0 iso 1 dist 9.02486 12.5843 8.83735 6.28944 8.96876 8.34718 numMergedOcc 0
106 mol 282 unq 0 iso 0 dist 7.10557 10.9773 6.85028 11.2762 7.32347 5.39891 numMergedOcc 0
107 mol 282 unq 0 iso 1 dist 7.10557 11.2762 7.32347 10.9773 6.85028 5.39891 numMergedOcc 0
108 mol 282 unq 1 iso 0 dist 7.10557 10.9773 6.85028 6.28612 8.3411 7.76539 numMergedOcc 0
109 mol 282 unq 1 iso 1 dist 7.10557 6.28612 8.3411 10.9773 6.85028 7.76539 numMergedOcc 0
110 mol 282 unq 1 iso 0 dist 7.10557 11.2762 7.32347 6.28612 8.3411 10.5372 numMergedOcc 0
111 mol 282 unq 1 iso 1 dist 7.10557 6.28612 8.3411 11.2762 7.32347 10.5372 numMergedOcc 0
112 mol 293 unq 0 iso 0 dist 5.88449 5.67215 9.47908 11.4201 8.56847 10.9721 numMergedOcc 0
113 mol 293 unq 0 iso 1 dist 5.88449 11.4201 8.56847 5.67215 9.47908 10.9721 numMergedOcc 0
114 mol 293 unq 1 iso 0 dist 7.44889 8.36783 9.47908 9.51167 8.56847 10.9721 numMergedOcc 0
115 mol 293 unq 1 iso 1 dist 7.44889 9.51167 8.56847 8.36783 9.47908 10.9721 numMergedOcc 0
116 mol 293 unq 2 iso 0 dist 5.50284 6.91752 9.47908 5.66805 8.56847 10.9721 numMergedOcc 0
117 mol 293 unq 2 iso 1 dist 5.50284 5.66805 8.56847 6.91752 9.47908 10.9721 numMergedOcc 0
