0 mol 18 unq 0 iso 0 dist 8.52106 6.11048 5.04478 11.5747 9.35863 10.6819 11.103 7.04695 5.65084 14.8965 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.32451 4.52259 5.04478 6.96996 9.35863 10.6819 9.94539 7.04695 5.65084 14.8965 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.33535 9.53718 7.03126 7.00806 7.60018 3.6461 17.3504 10.8078 8.66539 12.2304 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.33535 9.53718 7.03126 7.00806 7.60018 3.6461 12.0187 5.98837 5.38524 8.41778 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 9.33535 9.53718 7.03126 7.00806 7.60018 3.6461 10.1508 4.55117 8.69057 9.97819 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 8.26899 5.61579 7.03126 6.20618 7.60018 3.6461 11.715 10.8078 8.66539 12.2304 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.26899 5.61579 7.03126 6.20618 7.60018 3.6461 6.81627 5.98837 5.38524 8.41778 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.26899 5.61579 7.03126 6.20618 7.60018 3.6461 7.32874 4.55117 8.69057 9.97819 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 8.624 3.94376 5.4605 5.72408 9.37102 5.17981 10.8086 7.11552 9.55118 10.7102 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 8.624 3.94376 5.4605 6.19288 6.53824 4.85556 10.8086 7.11552 9.55118 12.111 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 6.77912 5.69391 5.4605 10.0679 9.37102 5.17981 9.96708 7.11552 9.55118 10.7102 numMergedOcc 0
11 mol 72 unq 3 iso 0 dist 6.77912 5.69391 5.4605 4.03844 6.53824 4.85556 9.96708 7.11552 9.55118 12.111 numMergedOcc 0
12 mol 72 unq 4 iso 0 dist 7.321 7.47371 9.14817 9.67587 9.76686 3.43675 10.8086 6.00418 9.74228 10.7906 numMergedOcc 0
13 mol 72 unq 5 iso 0 dist 7.321 7.47371 9.14817 9.67587 9.76686 3.43675 9.96708 9.0131 7.12321 9.35457 numMergedOcc 0
14 mol 72 unq 6 iso 0 dist 7.321 7.47371 9.14817 9.67587 9.76686 3.43675 9.78528 6.11922 6.21799 5.03251 numMergedOcc 0
15 mol 72 unq 7 iso 0 dist 7.321 7.47371 9.14817 7.07356 9.437 5.75711 10.8086 6.00418 9.74228 12.952 numMergedOcc 0
16 mol 72 unq 8 iso 0 dist 7.321 7.47371 9.14817 7.07356 9.437 5.75711 9.96708 9.0131 7.12321 12.1131 numMergedOcc 0
17 mol 72 unq 9 iso 0 dist 7.321 7.47371 9.14817 7.07356 9.437 5.75711 9.78528 6.11922 6.21799 7.66093 numMergedOcc 0
18 mol 72 unq 10 iso 0 dist 7.321 9.67587 9.76686 7.47371 9.14817 3.43675 9.78528 6.11922 5.03251 6.21799 numMergedOcc 0
19 mol 72 unq 11 iso 0 dist 7.321 9.67587 9.76686 7.47371 9.14817 3.43675 15.1902 9.93049 9.56773 10.9808 numMergedOcc 0
20 mol 72 unq 12 iso 0 dist 7.321 9.67587 9.76686 7.07356 9.437 5.26077 9.78528 6.11922 5.03251 7.66093 numMergedOcc 0
21 mol 72 unq 13 iso 0 dist 7.321 9.67587 9.76686 7.07356 9.437 5.26077 15.1902 9.93049 9.56773 13.336 numMergedOcc 0
22 mol 72 unq 14 iso 0 dist 7.321 7.07356 9.437 7.47371 9.14817 5.75711 9.78528 6.11922 7.66093 6.21799 numMergedOcc 0
23 mol 72 unq 15 iso 0 dist 7.321 7.07356 9.437 9.67587 9.76686 5.26077 9.78528 6.11922 7.66093 5.03251 numMergedOcc 0
24 mol 78 unq 0 iso 0 dist 8.30646 4.77202 5.47706 8.12982 8.89842 7.95975 11.3054 4.92509 6.85523 11.5776 numMergedOcc 0
25 mol 78 unq 1 iso 0 dist 8.30646 4.77202 5.47706 8.12982 8.89842 7.95975 11.2771 5.22036 8.65848 7.25801 numMergedOcc 0
26 mol 78 unq 2 iso 0 dist 8.30646 4.77202 5.47706 11.8801 8.07568 8.2592 11.3054 4.92509 6.85523 5.77326 numMergedOcc 0
27 mol 78 unq 3 iso 0 dist 8.30646 4.77202 5.47706 11.8801 8.07568 8.2592 11.2771 5.22036 8.65848 12.35 numMergedOcc 0
28 mol 78 unq 4 iso 0 dist 8.30646 8.12982 8.89842 4.77202 5.47706 7.95975 11.2771 5.22036 7.25801 8.65848 numMergedOcc 0
29 mol 78 unq 5 iso 0 dist 8.30646 8.12982 8.89842 11.8801 8.07568 15.4762 11.2771 5.22036 7.25801 12.35 numMergedOcc 0
30 mol 78 unq 6 iso 0 dist 8.30646 11.8801 8.07568 4.77202 5.47706 8.2592 11.3054 4.92509 5.77326 6.85523 numMergedOcc 0
31 mol 78 unq 7 iso 0 dist 8.30646 11.8801 8.07568 8.12982 8.89842 15.4762 11.3054 4.92509 5.77326 11.5776 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 6.30721 6.55202 12.7135 23.1442 16.7975 8.95212 20.5378 numMergedOcc 0
33 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 6.30721 6.55202 12.7135 14.5183 7.36192 6.99446 11.2897 numMergedOcc 0
34 mol 119 unq 2 iso 0 dist 7.39889 14.443 9.08536 6.30721 6.55202 12.7135 16.7981 10.6679 7.64052 12.31 numMergedOcc 0
35 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 6.9194 6.55202 12.7135 16.4353 16.7975 8.95212 20.5378 numMergedOcc 0
36 mol 119 unq 4 iso 0 dist 9.63176 9.68677 9.08536 6.9194 6.55202 12.7135 10.3704 7.36192 6.99446 11.2897 numMergedOcc 0
37 mol 119 unq 5 iso 0 dist 9.63176 9.68677 9.08536 6.9194 6.55202 12.7135 8.73993 10.6679 7.64052 12.31 numMergedOcc 0
38 mol 119 unq 6 iso 0 dist 7.44174 6.20019 9.08536 12.4621 6.55202 12.7135 13.9919 16.7975 8.95212 20.5378 numMergedOcc 0
39 mol 119 unq 7 iso 0 dist 7.44174 6.20019 9.08536 12.4621 6.55202 12.7135 9.87172 7.36192 6.99446 11.2897 numMergedOcc 0
40 mol 119 unq 8 iso 0 dist 7.44174 6.20019 9.08536 12.4621 6.55202 12.7135 12.6489 10.6679 7.64052 12.31 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 4.93785 6.8757 9.09234 5.71898 6.76746 11.196 7.81386 6.7991 6.64173 9.01624 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 4.93785 6.8757 9.09234 5.83796 8.92098 10.1041 7.81386 6.7991 6.64173 9.55105 numMergedOcc 0
43 mol 181 unq 2 iso 0 dist 4.93785 5.71898 6.76746 6.8757 9.09234 11.196 7.81386 6.7991 9.01624 6.64173 numMergedOcc 0
44 mol 181 unq 3 iso 0 dist 4.93785 5.71898 6.76746 6.8757 9.09234 11.196 9.81747 8.35755 5.05973 15.3823 numMergedOcc 0
45 mol 181 unq 4 iso 0 dist 4.93785 5.71898 6.76746 5.83796 8.92098 3.55187 7.81386 6.7991 9.01624 9.55105 numMergedOcc 0
46 mol 181 unq 5 iso 0 dist 4.93785 5.71898 6.76746 5.83796 8.92098 3.55187 9.81747 8.35755 5.05973 8.40951 numMergedOcc 0
47 mol 181 unq 6 iso 0 dist 4.93785 5.83796 8.92098 6.8757 9.09234 10.1041 7.81386 6.7991 9.55105 6.64173 numMergedOcc 0
48 mol 181 unq 7 iso 0 dist 4.93785 5.83796 8.92098 5.71898 6.76746 3.55187 7.81386 6.7991 9.55105 9.01624 numMergedOcc 0
49 mol 233 unq 0 iso 0 dist 9.43203 6.8325 6.01775 8.59528 8.24424 8.23358 15.159 8.96098 8.51625 14.3009 numMergedOcc 0
50 mol 233 unq 1 iso 0 dist 9.43203 6.8325 6.01775 5.43315 7.0942 6.91967 15.159 8.96098 8.51625 14.2 numMergedOcc 0
51 mol 238 unq 0 iso 0 dist 7.49471 12.7938 5.43613 6.82305 7.24334 11.1752 11.0896 5.54325 6.99888 8.63015 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.49471 12.7938 5.43613 6.82305 7.24334 11.1752 6.22714 5.17471 9.08509 10.1172 numMergedOcc 0
53 mol 238 unq 2 iso 0 dist 7.19008 11.0772 5.43613 5.71717 7.24334 11.1752 11.5794 5.54325 6.99888 8.63015 numMergedOcc 0
54 mol 238 unq 3 iso 0 dist 7.19008 11.0772 5.43613 5.71717 7.24334 11.1752 7.31233 5.17471 9.08509 10.1172 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 7.48005 10.282 8.84648 10.067 6.23661 8.0048 12.0576 5.31048 8.03219 6.9899 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 7.48005 10.067 6.23661 10.282 8.84648 8.0048 7.46176 5.79468 5.85442 11.7465 numMergedOcc 0
57 mol 259 unq 2 iso 0 dist 7.48005 10.067 6.23661 10.282 8.84648 8.0048 12.0576 5.31048 6.9899 8.03219 numMergedOcc 0
58 mol 259 unq 3 iso 0 dist 8.37865 4.04513 8.84648 7.09907 6.23661 8.0048 5.30224 5.31048 8.03219 6.9899 numMergedOcc 0
59 mol 259 unq 4 iso 0 dist 8.37865 7.09907 6.23661 4.04513 8.84648 8.0048 11.858 5.79468 5.85442 11.7465 numMergedOcc 0
60 mol 259 unq 5 iso 0 dist 8.37865 7.09907 6.23661 4.04513 8.84648 8.0048 5.30224 5.31048 6.9899 8.03219 numMergedOcc 0
61 mol 267 unq 0 iso 0 dist 8.76007 9.22276 5.08174 11.5903 6.32877 11.3792 15.5427 7.11419 8.8293 9.33497 numMergedOcc 0
62 mol 267 unq 1 iso 0 dist 8.76007 9.22276 5.08174 11.5903 6.32877 11.3792 14.4611 6.45566 7.34981 10.3168 numMergedOcc 0
63 mol 267 unq 2 iso 0 dist 8.76007 9.22276 5.08174 9.15724 9.48115 13.5886 15.5427 7.11419 8.8293 14.4164 numMergedOcc 0
64 mol 267 unq 3 iso 0 dist 8.76007 9.22276 5.08174 9.15724 9.48115 13.5886 14.4611 6.45566 7.34981 15.2499 numMergedOcc 0
65 mol 267 unq 4 iso 0 dist 8.76007 9.22276 5.08174 5.65969 8.38545 7.9327 15.5427 7.11419 8.8293 15.0638 numMergedOcc 0
66 mol 267 unq 5 iso 0 dist 8.76007 9.22276 5.08174 5.65969 8.38545 7.9327 14.4611 6.45566 7.34981 11.8835 numMergedOcc 0
67 mol 267 unq 6 iso 0 dist 8.76007 9.22276 5.08174 6.06209 6.10838 3.51278 15.5427 7.11419 8.8293 11.5802 numMergedOcc 0
68 mol 267 unq 7 iso 0 dist 8.76007 9.22276 5.08174 6.06209 6.10838 3.51278 14.4611 6.45566 7.34981 10.316 numMergedOcc 0
69 mol 272 unq 0 iso 0 dist 7.67853 5.12237 8.84523 5.41667 6.95241 9.5745 8.48753 6.64985 6.44147 11.4951 numMergedOcc 0
