0 mol 45 unq 0 iso 0 dist 7.58835 7.2846 8.81358 6.89191 9.20119 12.1257 12.457 12.466 16.2085 5.81001 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 9.4099 10.6169 10.3782 8.26899 13.7148 14.4477 6.20618 14.6101 7.60018 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 9.4099 10.6169 10.3782 8.26899 13.7148 13.1897 5.61579 15.561 7.03126 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.0131 7.321 13.3133 7.12321 7.47371 4.27726 9.14817 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.0131 7.321 13.3133 9.35457 9.67587 5.93202 9.76686 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 9.96708 8.8178 10.7394 9.0131 7.321 13.3133 12.1131 7.07356 8.7566 9.437 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 10.7102 10.0679 10.1392 9.37102 numMergedOcc 0
7 mol 72 unq 4 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 9.55118 5.69391 9.78221 5.4605 numMergedOcc 0
8 mol 72 unq 5 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 12.111 4.03844 11.5881 6.53824 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 10.7942 7.76729 12.9821 6.39384 6.63111 6.07067 8.0168 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 10.2377 7.64585 12.2309 6.24825 6.95773 6.01673 7.65255 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 10.9739 7.76729 17.6696 9.42082 6.63111 15.3161 8.0168 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 10.9739 7.76729 12.9821 9.42082 6.63111 6.07067 8.0168 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 6.11741 7.88312 7.69052 10.8939 7.64585 12.2309 10.0255 6.95773 6.01673 7.65255 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 4.91401 6.62561 7.63616 8.84018 7.20875 3.77029 9.94053 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 4.91401 6.62561 10.6107 8.84018 7.20875 5.21535 9.94053 numMergedOcc 0
16 mol 117 unq 2 iso 0 dist 7.83136 7.90328 7.22206 4.91401 7.63616 6.62561 8.84018 3.77029 7.20875 9.94053 numMergedOcc 0
17 mol 117 unq 3 iso 0 dist 7.83136 7.0603 7.21564 4.91401 7.63616 10.6107 8.84018 3.77029 5.21535 9.94053 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 12.2037 7.92688 17.2931 20.9604 14.8533 25.371 9.10003 numMergedOcc 0
19 mol 133 unq 1 iso 0 dist 8.00618 6.80239 7.79672 12.2037 7.92688 15.1694 20.9604 14.8533 22.6471 9.10003 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.43582 7.46303 7.66392 12.8482 9.38946 15.9495 8.97626 4.91785 9.16779 7.29911 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 6.43582 7.46303 7.66392 8.27726 7.36102 12.1081 8.97626 4.91785 9.16779 5.36254 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 11.0415 9.31887 12.816 13.6764 5.00913 11.1374 9.76114 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 11.0415 9.31887 11.3137 13.6764 5.00913 11.9979 9.76114 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 7.652 9.92231 6.2715 5.0384 9.31887 12.816 10.1305 5.00913 11.1374 9.76114 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 6.64173 6.8757 10.6474 9.09234 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 9.01624 5.71898 5.93724 6.76746 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 6.7991 4.93785 10.1232 9.55105 5.83796 5.12833 8.92098 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 8.85478 9.65138 4.40923 6.67959 7.46831 10.852 7.46481 11.1534 11.4955 8.70987 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 8.85478 7.14453 11.3796 6.67959 7.46831 12.6888 7.46481 11.1534 8.459 8.70987 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 6.43754 8.17891 12.4085 9.91384 4.1511 10.012 7.79951 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 6.43754 8.17891 6.95902 9.91384 4.1511 4.69247 7.79951 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 6.43754 8.17891 11.004 9.91384 4.1511 13.4494 7.79951 numMergedOcc 0
33 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 6.43754 8.17891 12.8864 9.91384 4.1511 15.7786 7.79951 numMergedOcc 0
34 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 14.6185 9.62609 17.0949 15.9467 14.6485 19.9502 9.8009 numMergedOcc 0
35 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 9.91384 4.69247 10.012 7.79951 numMergedOcc 0
36 mol 227 unq 6 iso 0 dist 8.65997 7.22101 5.22356 14.6185 9.62609 13.4493 15.9467 14.6485 18.6436 9.8009 numMergedOcc 0
37 mol 227 unq 7 iso 0 dist 8.65997 7.22101 5.22356 6.43754 6.95902 8.17891 9.91384 4.69247 4.1511 7.79951 numMergedOcc 0
38 mol 227 unq 8 iso 0 dist 8.65997 7.56888 9.70012 14.6185 9.62609 16.5207 15.9467 14.6485 15.5169 9.8009 numMergedOcc 0
39 mol 227 unq 9 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 9.91384 4.69247 13.4494 7.79951 numMergedOcc 0
40 mol 227 unq 10 iso 0 dist 8.65997 7.55216 12.9332 14.6185 9.62609 19.8174 15.9467 14.6485 18.4082 9.8009 numMergedOcc 0
41 mol 227 unq 11 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 9.91384 4.69247 15.7786 7.79951 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 11.216 6.25105 7.85175 11.1872 5.53885 3.95629 7.36208 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 11.4315 6.25105 7.85175 10.5689 5.53885 3.95629 7.36208 numMergedOcc 0
44 mol 234 unq 2 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 11.1872 3.95629 5.53885 8.27411 numMergedOcc 0
45 mol 234 unq 3 iso 0 dist 9.45496 6.56247 5.88703 15.9563 9.5707 10.3388 20.7134 15.9732 15.8936 6.96257 numMergedOcc 0
46 mol 234 unq 4 iso 0 dist 9.45496 6.56247 5.88703 11.216 7.85175 6.25105 11.1872 3.95629 5.53885 7.36208 numMergedOcc 0
47 mol 234 unq 5 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 10.5689 3.95629 5.53885 8.27411 numMergedOcc 0
48 mol 234 unq 6 iso 0 dist 6.7625 9.36357 5.88703 14.4106 9.5707 10.3388 19.3876 15.9732 15.8936 6.96257 numMergedOcc 0
49 mol 234 unq 7 iso 0 dist 6.7625 9.36357 5.88703 11.4315 7.85175 6.25105 10.5689 3.95629 5.53885 7.36208 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 9.08509 12.7938 11.0772 5.43613 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 5.17471 7.49471 7.19008 10.1172 6.82305 5.71717 7.24334 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 7.31233 6.22714 5.34096 10.4664 6.55759 10.5202 9.7696 10.4966 13.9569 9.38131 numMergedOcc 0
53 mol 238 unq 3 iso 0 dist 7.31233 6.22714 5.34096 11.2717 7.02475 12.1784 9.7696 10.4966 13.9569 6.85253 numMergedOcc 0
54 mol 238 unq 4 iso 0 dist 7.31233 6.22714 5.34096 12.6986 7.67322 12.1937 10.1172 5.71717 6.82305 7.39547 numMergedOcc 0
55 mol 238 unq 5 iso 0 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 9.08509 11.0772 12.7938 5.43613 numMergedOcc 0
56 mol 238 unq 6 iso 0 dist 7.31233 6.22714 5.34096 5.17471 7.19008 7.49471 10.1172 5.71717 6.82305 7.24334 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 14.2242 10.282 9.91939 8.84648 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 10.3406 10.067 11.4598 6.23661 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 8.49997 7.56915 6.33073 6.8406 7.97444 11.5594 12.9576 5.58776 11.8394 9.23897 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 8.04483 8.76532 10.0156 6.3384 6.85028 10.4802 10.2229 4.57104 8.58259 7.52924 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 8.04483 6.33524 5.39891 6.3384 6.85028 7.32347 10.2229 4.57104 5.29852 7.52924 numMergedOcc 0
62 mol 282 unq 2 iso 0 dist 6.33524 8.04483 5.39891 6.3384 7.32347 6.85028 10.2229 5.29852 4.57104 7.52924 numMergedOcc 0
63 mol 282 unq 3 iso 0 dist 6.33524 8.76532 4.66602 6.3384 7.32347 10.4802 10.2229 5.29852 8.58259 7.52924 numMergedOcc 0
