0 mol 92 unq 0 iso 0 dist 7.06939 6.08245 6.9223 10.9241 6.02822 6.98037 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 9.36001 7.24315 6.98037 12.4681 6.02822 6.9223 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 12.8018 13.3531 7.8435 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.22631 9.57225 5.71763 13.0349 10.7398 5.99269 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.3948 14.484 7.27506 14.7791 6.12906 8.48088 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.10496 12.3881 9.18457 9.81956 6.70343 9.14707 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 9.64383 11.7715 9.14707 14.0897 6.70343 9.18457 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.92242 7.89505 9.18457 10.8223 6.70343 9.14707 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.54889 13.1975 9.14707 5.2571 6.70343 9.18457 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.2571 13.1975 9.18457 7.54889 6.70343 9.14707 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 7.78931 15.9953 9.14707 8.7497 6.70343 9.18457 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.7497 15.9953 9.18457 7.78931 6.70343 9.14707 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.02706 10.1567 4.99604 14.0421 6.86881 5.43933 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.02706 10.1567 4.99604 19.0286 10.8861 9.97483 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 9.02706 10.1567 4.99604 16.4884 10.5905 7.44041 numMergedOcc 0
15 mol 112 unq 3 iso 0 dist 8.47988 8.56707 4.99604 13.5845 6.86881 5.43933 numMergedOcc 0
16 mol 112 unq 4 iso 0 dist 8.47988 8.56707 4.99604 18.1948 10.8861 9.97483 numMergedOcc 0
17 mol 112 unq 5 iso 0 dist 8.47988 8.56707 4.99604 13.1243 10.5905 7.44041 numMergedOcc 0
18 mol 112 unq 6 iso 0 dist 9.05166 12.6695 7.44041 16.3693 9.41803 5.43933 numMergedOcc 0
19 mol 112 unq 7 iso 0 dist 9.05166 12.6695 7.44041 16.8523 10.5905 4.99604 numMergedOcc 0
20 mol 112 unq 8 iso 0 dist 9.05166 12.6695 7.44041 18.6098 10.596 9.97483 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.95212 13.52 9.57341 20.5378 12.7135 9.6121 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 6.99446 4.99056 9.57341 11.2897 12.7135 9.6121 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 7.64052 3.78311 9.57341 12.31 12.7135 9.6121 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.42772 11.7434 6.99345 10.6728 6.05407 8.48313 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 6.42772 11.7434 6.99345 9.70973 5.83782 5.11043 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 9.33094 9.4027 5.11043 14.3561 10.5379 8.48313 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 9.33094 9.4027 5.11043 11.0808 5.83782 6.99345 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 9.1998 5.12325 6.99345 9.71716 6.05407 8.48313 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 9.1998 5.12325 6.99345 8.69531 5.83782 5.11043 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 8.69531 5.12325 5.11043 9.71716 10.5379 8.48313 numMergedOcc 0
31 mol 134 unq 7 iso 0 dist 8.69531 5.12325 5.11043 9.1998 5.83782 6.99345 numMergedOcc 0
32 mol 134 unq 8 iso 0 dist 5.35237 6.02179 8.48313 8.70621 6.05407 6.99345 numMergedOcc 0
33 mol 134 unq 9 iso 0 dist 5.35237 6.02179 8.48313 10.3432 10.5379 5.11043 numMergedOcc 0
34 mol 134 unq 10 iso 0 dist 8.70621 6.02179 6.99345 5.35237 6.05407 8.48313 numMergedOcc 0
35 mol 134 unq 11 iso 0 dist 8.70621 6.02179 6.99345 10.3432 5.83782 5.11043 numMergedOcc 0
36 mol 134 unq 12 iso 0 dist 7.99477 10.9332 8.48313 11.8779 6.05407 6.99345 numMergedOcc 0
37 mol 134 unq 13 iso 0 dist 7.99477 10.9332 8.48313 14.7874 10.5379 5.11043 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 5.40637 10.8441 8.68663 13.8345 9.42812 7.16698 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 6.74196 6.42798 7.97027 11.4707 11.4035 6.81955 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 6.74196 6.42798 7.97027 8.36842 8.10209 4.9876 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 8.36842 6.42798 4.9876 6.74196 8.10209 7.97027 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 8.36842 6.42798 4.9876 11.4707 3.52491 6.81955 numMergedOcc 0
43 mol 225 unq 0 iso 0 dist 8.1945 17.0241 9.57955 14.7849 8.05944 8.79277 numMergedOcc 0
44 mol 225 unq 1 iso 0 dist 8.1945 16.6392 9.87668 14.7849 8.05944 8.42121 numMergedOcc 0
45 mol 225 unq 2 iso 0 dist 8.1945 16.6392 9.87668 21.8027 16.7885 7.8744 numMergedOcc 0
46 mol 225 unq 3 iso 0 dist 8.1945 16.6392 9.87668 21.1757 13.7858 4.98402 numMergedOcc 0
47 mol 225 unq 4 iso 0 dist 6.50998 10.6484 9.57955 9.09424 8.05944 8.79277 numMergedOcc 0
48 mol 225 unq 5 iso 0 dist 6.50998 4.76151 9.87668 9.09424 8.05944 8.42121 numMergedOcc 0
49 mol 225 unq 6 iso 0 dist 6.50998 4.76151 9.87668 11.8802 16.7885 7.8744 numMergedOcc 0
50 mol 225 unq 7 iso 0 dist 6.50998 4.76151 9.87668 8.14831 13.7858 4.98402 numMergedOcc 0
51 mol 225 unq 8 iso 0 dist 9.09424 10.6484 8.79277 6.50998 8.05944 9.57955 numMergedOcc 0
52 mol 225 unq 9 iso 0 dist 9.09424 4.76151 8.42121 6.50998 8.05944 9.87668 numMergedOcc 0
53 mol 225 unq 10 iso 0 dist 9.09424 4.76151 8.42121 11.8802 14.5755 7.8744 numMergedOcc 0
54 mol 225 unq 11 iso 0 dist 9.09424 4.76151 8.42121 8.14831 11.2712 4.98402 numMergedOcc 0
55 mol 225 unq 12 iso 0 dist 8.14831 4.76151 4.98402 6.50998 13.7858 9.87668 numMergedOcc 0
56 mol 225 unq 13 iso 0 dist 8.14831 4.76151 4.98402 9.09424 11.2712 8.42121 numMergedOcc 0
57 mol 225 unq 14 iso 0 dist 8.14831 4.76151 4.98402 11.8802 8.90802 7.8744 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 9.19754 6.84156 6.02757 13.8802 5.23295 8.67231 numMergedOcc 0
59 mol 264 unq 1 iso 0 dist 8.29262 9.37297 6.02757 13.4196 5.23295 8.67231 numMergedOcc 0
60 mol 292 unq 0 iso 0 dist 9.46442 9.84292 9.2558 7.30758 3.57128 9.84946 numMergedOcc 0
61 mol 292 unq 1 iso 0 dist 9.9182 16.2289 9.84946 13.4489 3.57128 9.2558 numMergedOcc 0
62 mol 292 unq 2 iso 0 dist 7.30758 9.84292 9.84946 9.46442 3.57128 9.2558 numMergedOcc 0
63 mol 292 unq 3 iso 0 dist 9.10788 8.96137 9.84946 9.96037 3.57128 9.2558 numMergedOcc 0
