0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 10.2446 7.45262 5.44992 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 5.44992 7.45262 10.2446 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 12.3097 6.96586 4.74523 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 4.74523 6.96586 12.3097 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.41862 5.74188 8.16785 6.70071 7.40724 4.50891 numMergedOcc 0
5 mol 16 unq 0 iso 1 dist 8.16785 5.74188 8.41862 4.50891 7.40724 6.70071 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.82012 13.2136 9.16962 15.2834 9.25649 17.7956 numMergedOcc 0
7 mol 26 unq 0 iso 1 dist 9.16962 13.2136 8.82012 17.7956 9.25649 15.2834 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 8.82012 13.2136 9.16962 14.0729 9.36104 15.23 numMergedOcc 0
9 mol 26 unq 1 iso 1 dist 9.16962 13.2136 8.82012 15.23 9.36104 14.0729 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 6.99408 6.11102 9.3403 6.18811 7.95778 6.67086 numMergedOcc 0
11 mol 45 unq 0 iso 1 dist 9.3403 6.11102 6.99408 6.67086 7.95778 6.18811 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 8.63333 5.35073 8.89374 6.89191 7.93481 11.0355 numMergedOcc 0
13 mol 58 unq 0 iso 1 dist 8.89374 5.35073 8.63333 11.0355 7.93481 6.89191 numMergedOcc 0
14 mol 58 unq 1 iso 0 dist 8.63333 10.8153 6.46761 6.89191 7.93481 11.3547 numMergedOcc 0
15 mol 58 unq 1 iso 1 dist 6.46761 10.8153 8.63333 11.3547 7.93481 6.89191 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.63333 14.5953 9.73139 6.89191 7.93481 11.9834 numMergedOcc 0
17 mol 58 unq 2 iso 1 dist 9.73139 14.5953 8.63333 11.9834 7.93481 6.89191 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 8.89374 8.62958 6.46761 11.0355 7.93481 11.3547 numMergedOcc 0
19 mol 58 unq 1 iso 1 dist 6.46761 8.62958 8.89374 11.3547 7.93481 11.0355 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 8.89374 14.176 9.73139 11.0355 7.93481 11.9834 numMergedOcc 0
21 mol 58 unq 2 iso 1 dist 9.73139 14.176 8.89374 11.9834 7.93481 11.0355 numMergedOcc 0
22 mol 58 unq 2 iso 0 dist 6.46761 6.47414 9.73139 11.3547 7.93481 11.9834 numMergedOcc 0
23 mol 58 unq 2 iso 1 dist 9.73139 6.47414 6.46761 11.9834 7.93481 11.3547 numMergedOcc 0
24 mol 75 unq 0 iso 0 dist 6.33365 9.02771 5.15851 5.90778 9.48876 9.12189 numMergedOcc 0
25 mol 75 unq 0 iso 1 dist 5.15851 9.02771 6.33365 9.12189 9.48876 5.90778 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 9.47876 6.9948 7.22293 4.18004 8.87194 8.42713 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 7.22293 6.9948 9.47876 8.42713 8.87194 4.18004 numMergedOcc 0
28 mol 90 unq 0 iso 0 dist 8.39016 7.60026 6.99355 8.89062 7.54496 10.1287 numMergedOcc 0
29 mol 90 unq 0 iso 1 dist 6.99355 7.60026 8.39016 10.1287 7.54496 8.89062 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 5.81965 5.02055 7.06013 5.7134 9.28578 4.24513 numMergedOcc 0
31 mol 92 unq 0 iso 1 dist 7.06013 5.02055 5.81965 4.24513 9.28578 5.7134 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 5.81965 8.95922 9.70512 5.7134 9.28578 10.7874 numMergedOcc 0
33 mol 92 unq 1 iso 1 dist 9.70512 8.95922 5.81965 10.7874 9.28578 5.7134 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 7.06013 12.4494 9.70512 4.24513 9.28578 10.7874 numMergedOcc 0
35 mol 92 unq 1 iso 1 dist 9.70512 12.4494 7.06013 10.7874 9.28578 4.24513 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 4.91594 9.05798 12.7179 numMergedOcc 0
37 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 12.7179 9.05798 4.91594 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 9.3046 5.85818 4.91132 numMergedOcc 0
39 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 4.91132 5.85818 9.3046 numMergedOcc 0
40 mol 119 unq 2 iso 0 dist 7.39889 11.3169 7.44174 4.91594 9.05798 9.15779 numMergedOcc 0
41 mol 119 unq 2 iso 1 dist 7.44174 11.3169 7.39889 9.15779 9.05798 4.91594 numMergedOcc 0
42 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 9.3046 5.85818 7.61939 numMergedOcc 0
43 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 7.61939 5.85818 9.3046 numMergedOcc 0
44 mol 119 unq 2 iso 0 dist 9.63176 12.4603 7.44174 12.7179 9.05798 9.15779 numMergedOcc 0
45 mol 119 unq 2 iso 1 dist 7.44174 12.4603 9.63176 9.15779 9.05798 12.7179 numMergedOcc 0
46 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 4.91132 5.85818 7.61939 numMergedOcc 0
47 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 7.61939 5.85818 4.91132 numMergedOcc 0
48 mol 119 unq 4 iso 0 dist 6.19042 9.22558 8.43904 7.61939 9.87025 10.326 numMergedOcc 0
49 mol 119 unq 4 iso 1 dist 8.43904 9.22558 6.19042 10.326 9.87025 7.61939 numMergedOcc 0
50 mol 130 unq 0 iso 0 dist 6.79146 7.01619 7.66168 7.55374 6.42785 11.576 numMergedOcc 0
51 mol 130 unq 0 iso 1 dist 7.66168 7.01619 6.79146 11.576 6.42785 7.55374 numMergedOcc 0
52 mol 130 unq 1 iso 0 dist 6.79146 7.01619 7.66168 9.44878 6.82089 4.28797 numMergedOcc 0
53 mol 130 unq 1 iso 1 dist 7.66168 7.01619 6.79146 4.28797 6.82089 9.44878 numMergedOcc 0
54 mol 130 unq 2 iso 0 dist 6.79146 6.83397 6.89257 7.55374 6.42785 5.97111 numMergedOcc 0
55 mol 130 unq 2 iso 1 dist 6.89257 6.83397 6.79146 5.97111 6.42785 7.55374 numMergedOcc 0
56 mol 130 unq 3 iso 0 dist 6.79146 6.83397 6.89257 9.44878 6.82089 6.97875 numMergedOcc 0
57 mol 130 unq 3 iso 1 dist 6.89257 6.83397 6.79146 6.97875 6.82089 9.44878 numMergedOcc 0
58 mol 130 unq 2 iso 0 dist 7.66168 7.50049 6.89257 11.576 6.42785 5.97111 numMergedOcc 0
59 mol 130 unq 2 iso 1 dist 6.89257 7.50049 7.66168 5.97111 6.42785 11.576 numMergedOcc 0
60 mol 130 unq 3 iso 0 dist 7.66168 7.50049 6.89257 4.28797 6.82089 6.97875 numMergedOcc 0
61 mol 130 unq 3 iso 1 dist 6.89257 7.50049 7.66168 6.97875 6.82089 4.28797 numMergedOcc 0
62 mol 130 unq 4 iso 0 dist 9.12581 7.50049 8.74308 4.28797 5.38314 6.97875 numMergedOcc 0
63 mol 130 unq 4 iso 1 dist 8.74308 7.50049 9.12581 6.97875 5.38314 4.28797 numMergedOcc 0
64 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 6.41287 8.1582 11.488 numMergedOcc 0
65 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.488 8.1582 6.41287 numMergedOcc 0
66 mol 143 unq 1 iso 0 dist 7.31468 5.72828 7.7056 7.11704 7.88655 9.53139 numMergedOcc 0
67 mol 143 unq 1 iso 1 dist 7.7056 5.72828 7.31468 9.53139 7.88655 7.11704 numMergedOcc 0
68 mol 173 unq 0 iso 0 dist 7.93331 4.83994 6.98095 6.65184 7.54706 4.68119 numMergedOcc 0
69 mol 173 unq 0 iso 1 dist 6.98095 4.83994 7.93331 4.68119 7.54706 6.65184 numMergedOcc 0
70 mol 173 unq 1 iso 0 dist 7.93331 5.16343 8.31897 6.65184 7.54706 6.6407 numMergedOcc 0
71 mol 173 unq 1 iso 1 dist 8.31897 5.16343 7.93331 6.6407 7.54706 6.65184 numMergedOcc 0
72 mol 173 unq 1 iso 0 dist 6.98095 8.17887 8.31897 4.68119 7.54706 6.6407 numMergedOcc 0
73 mol 173 unq 1 iso 1 dist 8.31897 8.17887 6.98095 6.6407 7.54706 4.68119 numMergedOcc 0
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75 mol 184 unq 0 iso 1 dist 9.15417 5.43299 9.52936 5.72305 6.21206 8.41716 numMergedOcc 0
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77 mol 214 unq 0 iso 1 dist 8.60247 10.3105 7.46831 6.214 5.10114 5.63388 numMergedOcc 0
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79 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 9.8301 9.67381 10.3246 numMergedOcc 0
80 mol 218 unq 1 iso 0 dist 7.17547 7.83217 7.13323 5.7776 6.61099 9.97783 numMergedOcc 0
81 mol 218 unq 1 iso 1 dist 7.13323 7.83217 7.17547 9.97783 6.61099 5.7776 numMergedOcc 0
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83 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 7.22396 7.1372 10.5813 numMergedOcc 0
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85 mol 235 unq 0 iso 1 dist 9.43058 9.85037 9.58736 11.1908 9.31673 15.0089 numMergedOcc 0
86 mol 235 unq 1 iso 0 dist 9.58736 13.6669 8.75735 15.0089 9.31673 7.87789 numMergedOcc 0
87 mol 235 unq 1 iso 1 dist 8.75735 13.6669 9.58736 7.87789 9.31673 15.0089 numMergedOcc 0
88 mol 235 unq 2 iso 0 dist 9.58736 16.4493 6.98084 15.0089 9.31673 11.5211 numMergedOcc 0
89 mol 235 unq 2 iso 1 dist 6.98084 16.4493 9.58736 11.5211 9.31673 15.0089 numMergedOcc 0
90 mol 235 unq 3 iso 0 dist 9.58736 15.4 7.32211 15.0089 9.31673 6.65703 numMergedOcc 0
91 mol 235 unq 3 iso 1 dist 7.32211 15.4 9.58736 6.65703 9.31673 15.0089 numMergedOcc 0
92 mol 235 unq 1 iso 0 dist 9.43058 5.52217 8.75735 11.1908 9.31673 7.87789 numMergedOcc 0
93 mol 235 unq 1 iso 1 dist 8.75735 5.52217 9.43058 7.87789 9.31673 11.1908 numMergedOcc 0
94 mol 235 unq 2 iso 0 dist 9.43058 14.4362 6.98084 11.1908 9.31673 11.5211 numMergedOcc 0
95 mol 235 unq 2 iso 1 dist 6.98084 14.4362 9.43058 11.5211 9.31673 11.1908 numMergedOcc 0
96 mol 235 unq 3 iso 0 dist 9.43058 14.4107 7.32211 11.1908 9.31673 6.65703 numMergedOcc 0
97 mol 235 unq 3 iso 1 dist 7.32211 14.4107 9.43058 6.65703 9.31673 11.1908 numMergedOcc 0
98 mol 235 unq 2 iso 0 dist 8.75735 11.3519 6.98084 7.87789 9.31673 11.5211 numMergedOcc 0
99 mol 235 unq 2 iso 1 dist 6.98084 11.3519 8.75735 11.5211 9.31673 7.87789 numMergedOcc 0
100 mol 235 unq 3 iso 0 dist 8.75735 11.3789 7.32211 7.87789 9.31673 6.65703 numMergedOcc 0
101 mol 235 unq 3 iso 1 dist 7.32211 11.3789 8.75735 6.65703 9.31673 7.87789 numMergedOcc 0
102 mol 235 unq 3 iso 0 dist 6.98084 7.218 7.32211 11.5211 9.31673 6.65703 numMergedOcc 0
103 mol 235 unq 3 iso 1 dist 7.32211 7.218 6.98084 6.65703 9.31673 11.5211 numMergedOcc 0
104 mol 238 unq 0 iso 0 dist 5.38637 5.42006 6.55759 11.1167 8.6597 7.83352 numMergedOcc 0
105 mol 238 unq 0 iso 1 dist 6.55759 5.42006 5.38637 7.83352 8.6597 11.1167 numMergedOcc 0
106 mol 238 unq 1 iso 0 dist 8.96531 12.9854 7.02475 7.69482 7.47235 7.83352 numMergedOcc 0
107 mol 238 unq 1 iso 1 dist 7.02475 12.9854 8.96531 7.83352 7.47235 7.69482 numMergedOcc 0
108 mol 238 unq 2 iso 0 dist 9.68513 10.1648 9.29858 5.87253 9.47845 10.7551 numMergedOcc 0
109 mol 238 unq 2 iso 1 dist 9.29858 10.1648 9.68513 10.7551 9.47845 5.87253 numMergedOcc 0
110 mol 238 unq 3 iso 0 dist 9.90142 5.40359 5.9216 10.7508 6.92409 5.87253 numMergedOcc 0
111 mol 238 unq 3 iso 1 dist 5.9216 5.40359 9.90142 5.87253 6.92409 10.7508 numMergedOcc 0
112 mol 238 unq 4 iso 0 dist 7.49471 5.34096 7.19008 13.0113 6.89694 11.0349 numMergedOcc 0
113 mol 238 unq 4 iso 1 dist 7.19008 5.34096 7.49471 11.0349 6.89694 13.0113 numMergedOcc 0
114 mol 238 unq 5 iso 0 dist 7.49471 5.34096 7.19008 10.216 6.44735 7.83352 numMergedOcc 0
115 mol 238 unq 5 iso 1 dist 7.19008 5.34096 7.49471 7.83352 6.44735 10.216 numMergedOcc 0
116 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 5.60748 6.39918 7.31951 numMergedOcc 0
117 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 7.31951 6.39918 5.60748 numMergedOcc 0
