0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 12.8323 9.87885 12.8006 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.41585 9.87885 12.8323 6.88805 5.99459 12.8006 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 9.67164 13.156 7.12508 6.1206 12.8006 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.10621 6.1206 7.12508 13.156 9.67164 12.8006 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.10621 9.67164 13.156 11.143 7.67927 17.4215 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 7.10621 7.67927 11.143 13.156 9.67164 17.4215 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 5.11636 7.95042 12.6165 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.86116 7.95042 5.11636 11.6226 8.09311 12.6165 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 9.05357 13.1949 5.11636 7.95042 12.7305 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.86116 7.95042 5.11636 13.1949 9.05357 12.7305 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 5.04899 7.52933 5.03027 6.47509 7.05196 11.842 numMergedOcc 0
11 mol 25 unq 0 iso 1 dist 5.04899 7.05196 6.47509 5.03027 7.52933 11.842 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 6.47509 7.05196 8.07318 numMergedOcc 0
13 mol 25 unq 1 iso 1 dist 5.04899 7.05196 6.47509 4.69295 6.55597 8.07318 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 5.04899 9.71956 12.2542 6.47509 7.05196 13.5069 numMergedOcc 0
15 mol 25 unq 2 iso 1 dist 5.04899 7.05196 6.47509 12.2542 9.71956 13.5069 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 6.47509 7.05196 10.9998 numMergedOcc 0
17 mol 25 unq 3 iso 1 dist 5.04899 7.05196 6.47509 8.79309 7.07751 10.9998 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 5.04899 8.23761 8.17061 6.47509 7.05196 13.599 numMergedOcc 0
19 mol 25 unq 4 iso 1 dist 5.04899 7.05196 6.47509 8.17061 8.23761 13.599 numMergedOcc 0
20 mol 25 unq 5 iso 0 dist 5.04899 9.49421 13.6145 6.47509 7.05196 10.156 numMergedOcc 0
21 mol 25 unq 5 iso 1 dist 5.04899 7.05196 6.47509 13.6145 9.49421 10.156 numMergedOcc 0
22 mol 25 unq 6 iso 0 dist 6.03987 7.6114 5.86705 4.77954 7.99919 10.8668 numMergedOcc 0
23 mol 25 unq 6 iso 1 dist 6.03987 7.99919 4.77954 5.86705 7.6114 10.8668 numMergedOcc 0
24 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.07458 6.66407 8.34145 numMergedOcc 0
25 mol 43 unq 0 iso 1 dist 5.73819 6.66407 5.07458 4.96926 6.75943 8.34145 numMergedOcc 0
26 mol 72 unq 0 iso 0 dist 9.96708 7.12321 7.47371 5.69391 9.55118 10.6668 numMergedOcc 0
27 mol 72 unq 0 iso 1 dist 9.96708 9.55118 5.69391 7.47371 7.12321 10.6668 numMergedOcc 0
28 mol 72 unq 1 iso 0 dist 9.96708 7.12321 7.47371 13.4212 9.10345 13.9797 numMergedOcc 0
29 mol 72 unq 1 iso 1 dist 9.96708 9.10345 13.4212 7.47371 7.12321 13.9797 numMergedOcc 0
30 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 9.78221 9.55118 10.6668 numMergedOcc 0
31 mol 72 unq 2 iso 1 dist 9.78528 9.55118 9.78221 7.47371 6.21799 10.6668 numMergedOcc 0
32 mol 72 unq 3 iso 0 dist 9.78528 6.21799 7.47371 11.6634 9.10345 13.9797 numMergedOcc 0
33 mol 72 unq 3 iso 1 dist 9.78528 9.10345 11.6634 7.47371 6.21799 13.9797 numMergedOcc 0
34 mol 72 unq 4 iso 0 dist 9.78528 5.03251 9.67587 9.78221 9.55118 12.6707 numMergedOcc 0
35 mol 72 unq 4 iso 1 dist 9.78528 9.55118 9.78221 9.67587 5.03251 12.6707 numMergedOcc 0
36 mol 72 unq 5 iso 0 dist 9.78528 5.03251 9.67587 11.6634 9.10345 14.9302 numMergedOcc 0
37 mol 72 unq 5 iso 1 dist 9.78528 9.10345 11.6634 9.67587 5.03251 14.9302 numMergedOcc 0
38 mol 72 unq 6 iso 0 dist 9.78528 7.66093 7.07356 9.78221 9.55118 13.7925 numMergedOcc 0
39 mol 72 unq 6 iso 1 dist 9.78528 9.55118 9.78221 7.07356 7.66093 13.7925 numMergedOcc 0
40 mol 72 unq 7 iso 0 dist 9.78528 7.66093 7.07356 11.6634 9.10345 13.1216 numMergedOcc 0
41 mol 72 unq 7 iso 1 dist 9.78528 9.10345 11.6634 7.07356 7.66093 13.1216 numMergedOcc 0
42 mol 95 unq 0 iso 0 dist 8.03644 9.3948 11.3215 15.6249 8.27883 17.5698 numMergedOcc 0
43 mol 95 unq 0 iso 1 dist 8.03644 8.27883 15.6249 11.3215 9.3948 17.5698 numMergedOcc 0
44 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 12.4896 5.75428 17.0645 numMergedOcc 0
45 mol 95 unq 1 iso 1 dist 8.03644 5.75428 12.4896 11.3215 9.3948 17.0645 numMergedOcc 0
46 mol 95 unq 2 iso 0 dist 8.03644 9.3948 11.3215 14.2178 8.57395 17.8653 numMergedOcc 0
47 mol 95 unq 2 iso 1 dist 8.03644 8.57395 14.2178 11.3215 9.3948 17.8653 numMergedOcc 0
48 mol 95 unq 3 iso 0 dist 8.03644 9.3948 11.3215 8.78079 9.85409 14.0648 numMergedOcc 0
49 mol 95 unq 3 iso 1 dist 8.03644 9.85409 8.78079 11.3215 9.3948 14.0648 numMergedOcc 0
50 mol 95 unq 4 iso 0 dist 8.03644 9.74607 5.06946 15.6249 8.27883 9.9573 numMergedOcc 0
51 mol 95 unq 4 iso 1 dist 8.03644 8.27883 15.6249 5.06946 9.74607 9.9573 numMergedOcc 0
52 mol 95 unq 5 iso 0 dist 8.03644 9.74607 5.06946 12.4896 5.75428 10.0817 numMergedOcc 0
53 mol 95 unq 5 iso 1 dist 8.03644 5.75428 12.4896 5.06946 9.74607 10.0817 numMergedOcc 0
54 mol 95 unq 6 iso 0 dist 8.03644 9.74607 5.06946 14.2178 8.57395 11.7225 numMergedOcc 0
55 mol 95 unq 6 iso 1 dist 8.03644 8.57395 14.2178 5.06946 9.74607 11.7225 numMergedOcc 0
56 mol 95 unq 7 iso 0 dist 8.03644 9.74607 5.06946 8.78079 9.85409 12.4057 numMergedOcc 0
57 mol 95 unq 7 iso 1 dist 8.03644 9.85409 8.78079 5.06946 9.74607 12.4057 numMergedOcc 0
58 mol 109 unq 0 iso 0 dist 8.69985 7.07971 4.69373 5.00433 8.52024 9.09348 numMergedOcc 0
59 mol 109 unq 0 iso 1 dist 8.69985 8.52024 5.00433 4.69373 7.07971 9.09348 numMergedOcc 0
60 mol 115 unq 0 iso 0 dist 7.30858 7.69765 10.3209 5.03039 6.04595 10.9431 numMergedOcc 0
61 mol 115 unq 0 iso 1 dist 7.30858 6.04595 5.03039 10.3209 7.69765 10.9431 numMergedOcc 0
62 mol 115 unq 1 iso 0 dist 7.30858 9.42082 15.3161 5.03039 6.04595 14.3113 numMergedOcc 0
63 mol 115 unq 1 iso 1 dist 7.30858 6.04595 5.03039 15.3161 9.42082 14.3113 numMergedOcc 0
64 mol 115 unq 2 iso 0 dist 9.33865 6.39384 6.63111 6.95773 6.24825 7.65564 numMergedOcc 0
65 mol 115 unq 2 iso 1 dist 9.33865 6.24825 6.95773 6.63111 6.39384 7.65564 numMergedOcc 0
66 mol 115 unq 3 iso 0 dist 5.83991 7.69765 4.48636 6.01673 6.24825 9.0534 numMergedOcc 0
67 mol 115 unq 3 iso 1 dist 5.83991 6.24825 6.01673 4.48636 7.69765 9.0534 numMergedOcc 0
68 mol 115 unq 4 iso 0 dist 5.83991 9.42082 6.63111 6.01673 6.24825 7.65564 numMergedOcc 0
69 mol 115 unq 4 iso 1 dist 5.83991 6.24825 6.01673 6.63111 9.42082 7.65564 numMergedOcc 0
70 mol 117 unq 0 iso 0 dist 7.90328 8.84018 7.20875 10.5783 6.10127 12.9113 numMergedOcc 0
71 mol 117 unq 0 iso 1 dist 7.90328 6.10127 10.5783 7.20875 8.84018 12.9113 numMergedOcc 0
72 mol 117 unq 1 iso 0 dist 7.83136 8.84018 3.77029 3.55765 8.19331 10.2505 numMergedOcc 0
73 mol 117 unq 1 iso 1 dist 7.83136 8.19331 3.55765 3.77029 8.84018 10.2505 numMergedOcc 0
74 mol 117 unq 2 iso 0 dist 7.0603 8.84018 5.21535 3.55765 8.85711 10.2505 numMergedOcc 0
75 mol 117 unq 2 iso 1 dist 7.0603 8.85711 3.55765 5.21535 8.84018 10.2505 numMergedOcc 0
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77 mol 133 unq 0 iso 1 dist 8.22656 7.22643 6.9945 4.88025 8.26547 7.48208 numMergedOcc 0
78 mol 133 unq 1 iso 0 dist 6.82262 9.05342 4.88025 4.19723 7.22643 7.48208 numMergedOcc 0
79 mol 133 unq 1 iso 1 dist 6.82262 7.22643 4.19723 4.88025 9.05342 7.48208 numMergedOcc 0
80 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 7.41373 9.33094 8.62504 numMergedOcc 0
81 mol 134 unq 0 iso 1 dist 8.94367 9.33094 7.41373 8.06642 7.21868 8.62504 numMergedOcc 0
82 mol 134 unq 1 iso 0 dist 6.37586 9.33924 6.95573 10.8635 9.33094 15.9693 numMergedOcc 0
83 mol 134 unq 1 iso 1 dist 6.37586 9.33094 10.8635 6.95573 9.33924 15.9693 numMergedOcc 0
84 mol 134 unq 2 iso 0 dist 6.37586 7.93372 8.06642 10.8635 9.33094 8.62504 numMergedOcc 0
85 mol 134 unq 2 iso 1 dist 6.37586 9.33094 10.8635 8.06642 7.93372 8.62504 numMergedOcc 0
86 mol 134 unq 3 iso 0 dist 9.86662 7.21868 4.00092 12.8086 9.1998 11.2397 numMergedOcc 0
87 mol 134 unq 3 iso 1 dist 9.86662 9.1998 12.8086 4.00092 7.21868 11.2397 numMergedOcc 0
88 mol 134 unq 4 iso 0 dist 9.86662 7.21868 4.00092 7.41373 8.69531 8.62504 numMergedOcc 0
89 mol 134 unq 4 iso 1 dist 9.86662 8.69531 7.41373 4.00092 7.21868 8.62504 numMergedOcc 0
90 mol 134 unq 5 iso 0 dist 9.71307 9.33924 10.2026 15.0225 9.1998 17.0908 numMergedOcc 0
91 mol 134 unq 5 iso 1 dist 9.71307 9.1998 15.0225 10.2026 9.33924 17.0908 numMergedOcc 0
92 mol 134 unq 6 iso 0 dist 9.71307 9.33924 10.2026 10.8635 8.69531 15.9693 numMergedOcc 0
93 mol 134 unq 6 iso 1 dist 9.71307 8.69531 10.8635 10.2026 9.33924 15.9693 numMergedOcc 0
94 mol 134 unq 7 iso 0 dist 9.71307 7.93372 4.00092 15.0225 9.1998 11.2397 numMergedOcc 0
95 mol 134 unq 7 iso 1 dist 9.71307 9.1998 15.0225 4.00092 7.93372 11.2397 numMergedOcc 0
96 mol 134 unq 8 iso 0 dist 9.71307 7.93372 4.00092 10.8635 8.69531 8.62504 numMergedOcc 0
97 mol 134 unq 8 iso 1 dist 9.71307 8.69531 10.8635 4.00092 7.93372 8.62504 numMergedOcc 0
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99 mol 143 unq 0 iso 1 dist 5.99315 5.37047 4.78563 13.1926 7.36975 9.94557 numMergedOcc 0
100 mol 143 unq 1 iso 0 dist 5.99315 5.40637 7.39837 4.78563 5.37047 9.29944 numMergedOcc 0
101 mol 143 unq 1 iso 1 dist 5.99315 5.37047 4.78563 7.39837 5.40637 9.29944 numMergedOcc 0
102 mol 178 unq 0 iso 0 dist 6.69288 9.11204 8.44333 6.42973 7.06025 9.32938 numMergedOcc 0
103 mol 178 unq 0 iso 1 dist 6.69288 7.06025 6.42973 8.44333 9.11204 9.32938 numMergedOcc 0
104 mol 238 unq 0 iso 0 dist 7.31233 9.12776 10.3162 11.0772 9.08509 9.51483 numMergedOcc 0
105 mol 238 unq 0 iso 1 dist 7.31233 9.08509 11.0772 10.3162 9.12776 9.51483 numMergedOcc 0
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107 mol 243 unq 0 iso 1 dist 8.23192 7.10671 5.74165 5.71505 8.69318 8.20943 numMergedOcc 0
108 mol 243 unq 1 iso 0 dist 8.23192 8.69318 5.71505 9.89868 8.67156 12.9457 numMergedOcc 0
109 mol 243 unq 1 iso 1 dist 8.23192 8.67156 9.89868 5.71505 8.69318 12.9457 numMergedOcc 0
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111 mol 259 unq 0 iso 1 dist 8.13497 9.46361 12.2293 8.8603 9.07743 17.0531 numMergedOcc 0
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113 mol 259 unq 1 iso 1 dist 7.88519 9.46361 11.6988 7.20604 9.63573 11.2395 numMergedOcc 0
114 mol 259 unq 2 iso 0 dist 7.88519 7.66153 8.8603 11.6988 9.46361 17.0531 numMergedOcc 0
115 mol 259 unq 2 iso 1 dist 7.88519 9.46361 11.6988 8.8603 7.66153 17.0531 numMergedOcc 0
116 mol 259 unq 3 iso 0 dist 7.46176 9.63573 5.21606 10.067 5.85442 10.9441 numMergedOcc 0
117 mol 259 unq 3 iso 1 dist 7.46176 5.85442 10.067 5.21606 9.63573 10.9441 numMergedOcc 0
118 mol 259 unq 4 iso 0 dist 7.46176 9.63573 5.21606 11.6988 6.95511 11.2395 numMergedOcc 0
119 mol 259 unq 4 iso 1 dist 7.46176 6.95511 11.6988 5.21606 9.63573 11.2395 numMergedOcc 0
120 mol 259 unq 5 iso 0 dist 7.46176 7.66153 11.8896 10.067 5.85442 16.4118 numMergedOcc 0
121 mol 259 unq 5 iso 1 dist 7.46176 5.85442 10.067 11.8896 7.66153 16.4118 numMergedOcc 0
122 mol 259 unq 6 iso 0 dist 7.46176 7.66153 11.8896 11.6988 6.95511 17.0531 numMergedOcc 0
123 mol 259 unq 6 iso 1 dist 7.46176 6.95511 11.6988 11.8896 7.66153 17.0531 numMergedOcc 0
