0 mol 7 unq 0 iso 0 dist 7.10621 6.1206 7.12508 7.67927 11.143 4.80709 13.156 9.67164 12.8006 17.4215 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 7.67927 11.143 6.1206 7.12508 4.80709 13.156 9.67164 17.4215 12.8006 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 5.11636 7.95042 12.6165 12.7305 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 5.11636 7.95042 12.7305 12.6165 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.04899 7.52933 5.03027 6.55597 4.69295 6.53015 6.47509 7.05196 11.842 8.07318 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 6.47509 7.05196 8.07318 11.842 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 5.04899 7.52933 5.03027 9.71956 12.2542 11.8984 6.47509 7.05196 11.842 13.5069 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 7.52933 5.03027 11.8984 6.47509 7.05196 13.5069 11.842 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 5.04899 7.52933 5.03027 7.07751 8.79309 8.64476 6.47509 7.05196 11.842 10.9998 numMergedOcc 0
9 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 6.47509 7.05196 10.9998 11.842 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 5.04899 7.52933 5.03027 8.23761 8.17061 4.64241 6.47509 7.05196 11.842 13.599 numMergedOcc 0
11 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.52933 5.03027 4.64241 6.47509 7.05196 13.599 11.842 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 5.04899 7.52933 5.03027 9.49421 13.6145 16.0628 6.47509 7.05196 11.842 10.156 numMergedOcc 0
13 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 6.47509 7.05196 10.156 11.842 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 6.47509 7.05196 8.07318 13.5069 numMergedOcc 0
15 mol 25 unq 1 iso 1 dist 5.04899 9.71956 12.2542 6.55597 4.69295 9.19736 6.47509 7.05196 13.5069 8.07318 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 6.47509 7.05196 8.07318 10.9998 numMergedOcc 0
17 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 6.47509 7.05196 10.9998 8.07318 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 6.47509 7.05196 8.07318 13.599 numMergedOcc 0
19 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 6.55597 4.69295 7.36721 6.47509 7.05196 13.599 8.07318 numMergedOcc 0
20 mol 25 unq 4 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 6.47509 7.05196 8.07318 10.156 numMergedOcc 0
21 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 6.47509 7.05196 10.156 8.07318 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 5.04899 9.71956 12.2542 7.07751 8.79309 3.56099 6.47509 7.05196 13.5069 10.9998 numMergedOcc 0
23 mol 25 unq 2 iso 1 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 6.47509 7.05196 10.9998 13.5069 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 5.04899 9.71956 12.2542 8.23761 8.17061 8.42944 6.47509 7.05196 13.5069 13.599 numMergedOcc 0
25 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 9.71956 12.2542 8.42944 6.47509 7.05196 13.599 13.5069 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 5.04899 9.71956 12.2542 9.49421 13.6145 8.99147 6.47509 7.05196 13.5069 10.156 numMergedOcc 0
27 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 6.47509 7.05196 10.156 13.5069 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 5.04899 7.07751 8.79309 8.23761 8.17061 5.99526 6.47509 7.05196 10.9998 13.599 numMergedOcc 0
29 mol 25 unq 3 iso 1 dist 5.04899 8.23761 8.17061 7.07751 8.79309 5.99526 6.47509 7.05196 13.599 10.9998 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 5.04899 7.07751 8.79309 9.49421 13.6145 9.54872 6.47509 7.05196 10.9998 10.156 numMergedOcc 0
31 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 6.47509 7.05196 10.156 10.9998 numMergedOcc 0
32 mol 25 unq 4 iso 0 dist 5.04899 8.23761 8.17061 9.49421 13.6145 14.6175 6.47509 7.05196 13.599 10.156 numMergedOcc 0
33 mol 25 unq 4 iso 1 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 6.47509 7.05196 10.156 13.599 numMergedOcc 0
34 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 9.10345 13.4212 9.20237 7.47371 7.12321 10.6668 13.9797 numMergedOcc 0
35 mol 72 unq 0 iso 1 dist 9.96708 9.10345 13.4212 9.55118 5.69391 9.20237 7.47371 7.12321 13.9797 10.6668 numMergedOcc 0
36 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 9.78221 9.55118 10.6668 12.6707 numMergedOcc 0
37 mol 72 unq 1 iso 1 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 9.78221 9.55118 12.6707 10.6668 numMergedOcc 0
38 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 11.6634 9.10345 13.9797 14.9302 numMergedOcc 0
39 mol 72 unq 2 iso 1 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 11.6634 9.10345 14.9302 13.9797 numMergedOcc 0
40 mol 72 unq 3 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 9.78221 9.55118 10.6668 13.7925 numMergedOcc 0
41 mol 72 unq 3 iso 1 dist 9.78528 7.66093 7.07356 6.21799 7.47371 5.75711 9.78221 9.55118 13.7925 10.6668 numMergedOcc 0
42 mol 72 unq 4 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 11.6634 9.10345 13.9797 13.1216 numMergedOcc 0
43 mol 72 unq 4 iso 1 dist 9.78528 7.66093 7.07356 6.21799 7.47371 5.75711 11.6634 9.10345 13.1216 13.9797 numMergedOcc 0
44 mol 72 unq 3 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 9.78221 9.55118 12.6707 13.7925 numMergedOcc 0
45 mol 72 unq 3 iso 1 dist 9.78528 7.66093 7.07356 5.03251 9.67587 5.26077 9.78221 9.55118 13.7925 12.6707 numMergedOcc 0
46 mol 72 unq 4 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 11.6634 9.10345 14.9302 13.1216 numMergedOcc 0
47 mol 72 unq 4 iso 1 dist 9.78528 7.66093 7.07356 5.03251 9.67587 5.26077 11.6634 9.10345 13.1216 14.9302 numMergedOcc 0
48 mol 72 unq 5 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 7.47371 6.21799 10.6668 13.9797 numMergedOcc 0
49 mol 72 unq 5 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 7.47371 6.21799 13.9797 10.6668 numMergedOcc 0
50 mol 72 unq 6 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 9.67587 5.03251 12.6707 14.9302 numMergedOcc 0
51 mol 72 unq 6 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 9.67587 5.03251 14.9302 12.6707 numMergedOcc 0
52 mol 72 unq 7 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 7.07356 7.66093 13.7925 13.1216 numMergedOcc 0
53 mol 72 unq 7 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 7.07356 7.66093 13.1216 13.7925 numMergedOcc 0
54 mol 95 unq 0 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 15.6249 8.27883 17.5698 9.9573 numMergedOcc 0
55 mol 95 unq 0 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 15.6249 8.27883 9.9573 17.5698 numMergedOcc 0
56 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 12.4896 5.75428 17.0645 10.0817 numMergedOcc 0
57 mol 95 unq 1 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 12.4896 5.75428 10.0817 17.0645 numMergedOcc 0
58 mol 95 unq 2 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 14.2178 8.57395 17.8653 11.7225 numMergedOcc 0
59 mol 95 unq 2 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 14.2178 8.57395 11.7225 17.8653 numMergedOcc 0
60 mol 95 unq 3 iso 0 dist 8.03644 9.3948 11.3215 9.74607 5.06946 8.00584 8.78079 9.85409 14.0648 12.4057 numMergedOcc 0
61 mol 95 unq 3 iso 1 dist 8.03644 9.74607 5.06946 9.3948 11.3215 8.00584 8.78079 9.85409 12.4057 14.0648 numMergedOcc 0
62 mol 95 unq 4 iso 0 dist 8.03644 8.27883 15.6249 5.75428 12.4896 6.27231 11.3215 9.3948 17.5698 17.0645 numMergedOcc 0
63 mol 95 unq 4 iso 1 dist 8.03644 5.75428 12.4896 8.27883 15.6249 6.27231 11.3215 9.3948 17.0645 17.5698 numMergedOcc 0
64 mol 95 unq 5 iso 0 dist 8.03644 8.27883 15.6249 5.75428 12.4896 6.27231 5.06946 9.74607 9.9573 10.0817 numMergedOcc 0
65 mol 95 unq 5 iso 1 dist 8.03644 5.75428 12.4896 8.27883 15.6249 6.27231 5.06946 9.74607 10.0817 9.9573 numMergedOcc 0
66 mol 95 unq 6 iso 0 dist 8.03644 8.27883 15.6249 8.57395 14.2178 11.734 11.3215 9.3948 17.5698 17.8653 numMergedOcc 0
67 mol 95 unq 6 iso 1 dist 8.03644 8.57395 14.2178 8.27883 15.6249 11.734 11.3215 9.3948 17.8653 17.5698 numMergedOcc 0
68 mol 95 unq 7 iso 0 dist 8.03644 8.27883 15.6249 8.57395 14.2178 11.734 5.06946 9.74607 9.9573 11.7225 numMergedOcc 0
69 mol 95 unq 7 iso 1 dist 8.03644 8.57395 14.2178 8.27883 15.6249 11.734 5.06946 9.74607 11.7225 9.9573 numMergedOcc 0
70 mol 95 unq 8 iso 0 dist 8.03644 8.27883 15.6249 9.85409 8.78079 17.4304 11.3215 9.3948 17.5698 14.0648 numMergedOcc 0
71 mol 95 unq 8 iso 1 dist 8.03644 9.85409 8.78079 8.27883 15.6249 17.4304 11.3215 9.3948 14.0648 17.5698 numMergedOcc 0
72 mol 95 unq 9 iso 0 dist 8.03644 8.27883 15.6249 9.85409 8.78079 17.4304 5.06946 9.74607 9.9573 12.4057 numMergedOcc 0
73 mol 95 unq 9 iso 1 dist 8.03644 9.85409 8.78079 8.27883 15.6249 17.4304 5.06946 9.74607 12.4057 9.9573 numMergedOcc 0
74 mol 95 unq 6 iso 0 dist 8.03644 5.75428 12.4896 8.57395 14.2178 6.95874 11.3215 9.3948 17.0645 17.8653 numMergedOcc 0
75 mol 95 unq 6 iso 1 dist 8.03644 8.57395 14.2178 5.75428 12.4896 6.95874 11.3215 9.3948 17.8653 17.0645 numMergedOcc 0
76 mol 95 unq 7 iso 0 dist 8.03644 5.75428 12.4896 8.57395 14.2178 6.95874 5.06946 9.74607 10.0817 11.7225 numMergedOcc 0
77 mol 95 unq 7 iso 1 dist 8.03644 8.57395 14.2178 5.75428 12.4896 6.95874 5.06946 9.74607 11.7225 10.0817 numMergedOcc 0
78 mol 95 unq 8 iso 0 dist 8.03644 5.75428 12.4896 9.85409 8.78079 12.3063 11.3215 9.3948 17.0645 14.0648 numMergedOcc 0
79 mol 95 unq 8 iso 1 dist 8.03644 9.85409 8.78079 5.75428 12.4896 12.3063 11.3215 9.3948 14.0648 17.0645 numMergedOcc 0
80 mol 95 unq 9 iso 0 dist 8.03644 5.75428 12.4896 9.85409 8.78079 12.3063 5.06946 9.74607 10.0817 12.4057 numMergedOcc 0
81 mol 95 unq 9 iso 1 dist 8.03644 9.85409 8.78079 5.75428 12.4896 12.3063 5.06946 9.74607 12.4057 10.0817 numMergedOcc 0
82 mol 95 unq 8 iso 0 dist 8.03644 8.57395 14.2178 9.85409 8.78079 9.43547 11.3215 9.3948 17.8653 14.0648 numMergedOcc 0
83 mol 95 unq 8 iso 1 dist 8.03644 9.85409 8.78079 8.57395 14.2178 9.43547 11.3215 9.3948 14.0648 17.8653 numMergedOcc 0
84 mol 95 unq 9 iso 0 dist 8.03644 8.57395 14.2178 9.85409 8.78079 9.43547 5.06946 9.74607 11.7225 12.4057 numMergedOcc 0
85 mol 95 unq 9 iso 1 dist 8.03644 9.85409 8.78079 8.57395 14.2178 9.43547 5.06946 9.74607 12.4057 11.7225 numMergedOcc 0
86 mol 115 unq 0 iso 0 dist 7.30858 7.69765 10.3209 9.42082 15.3161 11.044 5.03039 6.04595 10.9431 14.3113 numMergedOcc 0
87 mol 115 unq 0 iso 1 dist 7.30858 9.42082 15.3161 7.69765 10.3209 11.044 5.03039 6.04595 14.3113 10.9431 numMergedOcc 0
88 mol 115 unq 1 iso 0 dist 5.83991 7.69765 4.48636 9.42082 6.63111 11.044 6.01673 6.24825 9.0534 7.65564 numMergedOcc 0
89 mol 115 unq 1 iso 1 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 6.01673 6.24825 7.65564 9.0534 numMergedOcc 0
90 mol 134 unq 0 iso 0 dist 6.37586 9.33924 6.95573 7.93372 8.06642 11.4107 10.8635 9.33094 15.9693 8.62504 numMergedOcc 0
91 mol 134 unq 0 iso 1 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 10.8635 9.33094 8.62504 15.9693 numMergedOcc 0
92 mol 134 unq 1 iso 0 dist 9.86662 9.1998 12.8086 8.69531 7.41373 5.83782 4.00092 7.21868 11.2397 8.62504 numMergedOcc 0
93 mol 134 unq 1 iso 1 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 4.00092 7.21868 8.62504 11.2397 numMergedOcc 0
94 mol 134 unq 2 iso 0 dist 9.71307 9.33924 10.2026 7.93372 4.00092 11.4107 15.0225 9.1998 17.0908 11.2397 numMergedOcc 0
95 mol 134 unq 2 iso 1 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 15.0225 9.1998 11.2397 17.0908 numMergedOcc 0
96 mol 134 unq 3 iso 0 dist 9.71307 9.33924 10.2026 7.93372 4.00092 11.4107 10.8635 8.69531 15.9693 8.62504 numMergedOcc 0
97 mol 134 unq 3 iso 1 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 10.8635 8.69531 8.62504 15.9693 numMergedOcc 0
98 mol 134 unq 4 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 10.2026 9.33924 17.0908 15.9693 numMergedOcc 0
99 mol 134 unq 4 iso 1 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 10.2026 9.33924 15.9693 17.0908 numMergedOcc 0
100 mol 134 unq 5 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 4.00092 7.93372 11.2397 8.62504 numMergedOcc 0
101 mol 134 unq 5 iso 1 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 4.00092 7.93372 8.62504 11.2397 numMergedOcc 0
102 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 5.40637 7.39837 10.1474 4.78563 5.37047 9.94557 9.29944 numMergedOcc 0
103 mol 143 unq 0 iso 1 dist 5.99315 5.40637 7.39837 7.36975 13.1926 10.1474 4.78563 5.37047 9.29944 9.94557 numMergedOcc 0
104 mol 243 unq 0 iso 0 dist 8.23192 7.10671 5.74165 8.67156 9.89868 6.67199 5.71505 8.69318 8.20943 12.9457 numMergedOcc 0
105 mol 243 unq 0 iso 1 dist 8.23192 8.67156 9.89868 7.10671 5.74165 6.67199 5.71505 8.69318 12.9457 8.20943 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 7.88519 9.63573 7.20604 7.66153 8.8603 10.3051 11.6988 9.46361 11.2395 17.0531 numMergedOcc 0
107 mol 259 unq 0 iso 1 dist 7.88519 7.66153 8.8603 9.63573 7.20604 10.3051 11.6988 9.46361 17.0531 11.2395 numMergedOcc 0
108 mol 259 unq 1 iso 0 dist 7.46176 9.63573 5.21606 7.66153 11.8896 10.3051 10.067 5.85442 10.9441 16.4118 numMergedOcc 0
109 mol 259 unq 1 iso 1 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 10.067 5.85442 16.4118 10.9441 numMergedOcc 0
110 mol 259 unq 2 iso 0 dist 7.46176 9.63573 5.21606 7.66153 11.8896 10.3051 11.6988 6.95511 11.2395 17.0531 numMergedOcc 0
111 mol 259 unq 2 iso 1 dist 7.46176 7.66153 11.8896 9.63573 5.21606 10.3051 11.6988 6.95511 17.0531 11.2395 numMergedOcc 0
112 mol 259 unq 3 iso 0 dist 7.46176 5.85442 10.067 6.95511 11.6988 3.51848 5.21606 9.63573 10.9441 11.2395 numMergedOcc 0
113 mol 259 unq 3 iso 1 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 5.21606 9.63573 11.2395 10.9441 numMergedOcc 0
114 mol 259 unq 4 iso 0 dist 7.46176 5.85442 10.067 6.95511 11.6988 3.51848 11.8896 7.66153 16.4118 17.0531 numMergedOcc 0
115 mol 259 unq 4 iso 1 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 11.8896 7.66153 17.0531 16.4118 numMergedOcc 0
