0 mol 7 unq 0 iso 0 dist 6.36911 13.2247 9.36807 6.88805 8.81608 13.156 10.5461 10.515 7.10621 9.67164 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.36807 13.2247 6.36911 13.156 8.81608 6.88805 7.10621 10.515 10.5461 9.67164 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 6.36911 13.2247 9.36807 6.88805 8.81608 13.156 8.41585 6.06176 12.2333 5.99459 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.2247 6.36911 13.156 8.81608 6.88805 12.2333 6.06176 8.41585 5.99459 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.52106 5.51376 6.32451 6.11048 5.04478 4.52259 11.103 7.04695 9.94539 5.65084 numMergedOcc 0
5 mol 18 unq 0 iso 1 dist 6.32451 5.51376 8.52106 4.52259 5.04478 6.11048 9.94539 7.04695 11.103 5.65084 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 9.53718 7.03126 5.61579 17.3504 10.8078 11.715 8.66539 numMergedOcc 0
7 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 5.61579 7.03126 9.53718 11.715 10.8078 17.3504 8.66539 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.33535 7.08557 8.26899 9.53718 7.03126 5.61579 12.0187 5.98837 6.81627 5.38524 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.26899 7.08557 9.33535 5.61579 7.03126 9.53718 6.81627 5.98837 12.0187 5.38524 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.33535 7.08557 8.26899 9.53718 7.03126 5.61579 10.1508 4.55117 7.32874 8.69057 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 8.26899 7.08557 9.33535 5.61579 7.03126 9.53718 7.32874 4.55117 10.1508 8.69057 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.624 5.36766 6.77912 3.94376 5.4605 5.69391 10.8086 7.11552 9.96708 9.55118 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 5.69391 5.4605 3.94376 9.96708 7.11552 10.8086 9.55118 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 6.21982 10.2879 8.19682 5.31985 9.4866 15.4159 10.0992 10.963 16.758 8.13108 numMergedOcc 0
15 mol 76 unq 0 iso 1 dist 8.19682 10.2879 6.21982 15.4159 9.4866 5.31985 16.758 10.963 10.0992 8.13108 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 6.62561 7.22206 7.63616 7.20875 9.94053 3.77029 7.90328 4.91401 7.83136 8.84018 numMergedOcc 0
17 mol 117 unq 0 iso 1 dist 7.63616 7.22206 6.62561 3.77029 9.94053 7.20875 7.83136 4.91401 7.90328 8.84018 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.39889 11.6667 9.63176 14.443 9.08536 9.68677 23.1442 16.7975 16.4353 8.95212 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 9.63176 11.6667 7.39889 9.68677 9.08536 14.443 16.4353 16.7975 23.1442 8.95212 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 7.39889 11.6667 9.63176 14.443 9.08536 9.68677 14.5183 7.36192 10.3704 6.99446 numMergedOcc 0
21 mol 119 unq 1 iso 1 dist 9.63176 11.6667 7.39889 9.68677 9.08536 14.443 10.3704 7.36192 14.5183 6.99446 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 7.39889 11.6667 9.63176 14.443 9.08536 9.68677 16.7981 10.6679 8.73993 7.64052 numMergedOcc 0
23 mol 119 unq 2 iso 1 dist 9.63176 11.6667 7.39889 9.68677 9.08536 14.443 8.73993 10.6679 16.7981 7.64052 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 7.39889 11.3169 7.44174 14.443 9.08536 6.20019 23.1442 16.7975 13.9919 8.95212 numMergedOcc 0
25 mol 119 unq 3 iso 1 dist 7.44174 11.3169 7.39889 6.20019 9.08536 14.443 13.9919 16.7975 23.1442 8.95212 numMergedOcc 0
26 mol 119 unq 4 iso 0 dist 7.39889 11.3169 7.44174 14.443 9.08536 6.20019 14.5183 7.36192 9.87172 6.99446 numMergedOcc 0
27 mol 119 unq 4 iso 1 dist 7.44174 11.3169 7.39889 6.20019 9.08536 14.443 9.87172 7.36192 14.5183 6.99446 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 7.39889 11.3169 7.44174 14.443 9.08536 6.20019 16.7981 10.6679 12.6489 7.64052 numMergedOcc 0
29 mol 119 unq 5 iso 1 dist 7.44174 11.3169 7.39889 6.20019 9.08536 14.443 12.6489 10.6679 16.7981 7.64052 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 9.63176 12.4603 7.44174 9.68677 9.08536 6.20019 16.4353 16.7975 13.9919 8.95212 numMergedOcc 0
31 mol 119 unq 3 iso 1 dist 7.44174 12.4603 9.63176 6.20019 9.08536 9.68677 13.9919 16.7975 16.4353 8.95212 numMergedOcc 0
32 mol 119 unq 4 iso 0 dist 9.63176 12.4603 7.44174 9.68677 9.08536 6.20019 10.3704 7.36192 9.87172 6.99446 numMergedOcc 0
33 mol 119 unq 4 iso 1 dist 7.44174 12.4603 9.63176 6.20019 9.08536 9.68677 9.87172 7.36192 10.3704 6.99446 numMergedOcc 0
34 mol 119 unq 5 iso 0 dist 9.63176 12.4603 7.44174 9.68677 9.08536 6.20019 8.73993 10.6679 12.6489 7.64052 numMergedOcc 0
35 mol 119 unq 5 iso 1 dist 7.44174 12.4603 9.63176 6.20019 9.08536 9.68677 12.6489 10.6679 8.73993 7.64052 numMergedOcc 0
36 mol 119 unq 6 iso 0 dist 6.19042 9.22558 8.43904 6.20019 6.13374 4.39676 13.9919 10.3457 6.18601 8.95212 numMergedOcc 0
37 mol 119 unq 6 iso 1 dist 8.43904 9.22558 6.19042 4.39676 6.13374 6.20019 6.18601 10.3457 13.9919 8.95212 numMergedOcc 0
38 mol 119 unq 7 iso 0 dist 6.19042 9.22558 8.43904 6.20019 6.13374 4.39676 9.87172 6.35763 10.1813 6.99446 numMergedOcc 0
39 mol 119 unq 7 iso 1 dist 8.43904 9.22558 6.19042 4.39676 6.13374 6.20019 10.1813 6.35763 9.87172 6.99446 numMergedOcc 0
40 mol 119 unq 8 iso 0 dist 6.19042 9.22558 8.43904 6.20019 6.13374 4.39676 12.6489 10.0197 9.72413 7.64052 numMergedOcc 0
41 mol 119 unq 8 iso 1 dist 8.43904 9.22558 6.19042 4.39676 6.13374 6.20019 9.72413 10.0197 12.6489 7.64052 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 7.31468 5.72828 7.7056 7.63293 7.05845 11.903 10.6877 6.01455 12.7524 7.36975 numMergedOcc 0
43 mol 143 unq 0 iso 1 dist 7.7056 5.72828 7.31468 11.903 7.05845 7.63293 12.7524 6.01455 10.6877 7.36975 numMergedOcc 0
44 mol 155 unq 0 iso 0 dist 7.39644 10.7616 7.36102 7.10286 5.36254 4.91785 10.7829 8.27726 6.43582 8.97626 numMergedOcc 0
45 mol 155 unq 0 iso 1 dist 7.36102 10.7616 7.39644 4.91785 5.36254 7.10286 6.43582 8.27726 10.7829 8.97626 numMergedOcc 0
46 mol 184 unq 0 iso 0 dist 9.52936 5.43299 9.15417 13.8904 7.59939 10.3179 15.173 6.47974 13.8822 6.73504 numMergedOcc 0
47 mol 184 unq 0 iso 1 dist 9.15417 5.43299 9.52936 10.3179 7.59939 13.8904 13.8822 6.47974 15.173 6.73504 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 7.46831 10.3105 8.60247 11.1534 8.70987 7.19184 8.85478 6.67959 11.9355 7.46481 numMergedOcc 0
49 mol 214 unq 0 iso 1 dist 8.60247 10.3105 7.46831 7.19184 8.70987 11.1534 11.9355 6.67959 8.85478 7.46481 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 7.49471 5.34096 7.19008 12.7938 5.43613 11.0772 11.0896 5.54325 11.5794 6.99888 numMergedOcc 0
51 mol 238 unq 0 iso 1 dist 7.19008 5.34096 7.49471 11.0772 5.43613 12.7938 11.5794 5.54325 11.0896 6.99888 numMergedOcc 0
52 mol 238 unq 1 iso 0 dist 7.49471 5.34096 7.19008 12.7938 5.43613 11.0772 6.22714 5.17471 7.31233 9.08509 numMergedOcc 0
53 mol 238 unq 1 iso 1 dist 7.19008 5.34096 7.49471 11.0772 5.43613 12.7938 7.31233 5.17471 6.22714 9.08509 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 10.282 8.84648 4.04513 12.0576 5.31048 5.30224 8.03219 numMergedOcc 0
55 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 4.04513 8.84648 10.282 5.30224 5.31048 12.0576 8.03219 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 7.48005 12.5353 8.37865 10.067 6.23661 7.09907 7.46176 5.79468 11.858 5.85442 numMergedOcc 0
57 mol 259 unq 1 iso 1 dist 8.37865 12.5353 7.48005 7.09907 6.23661 10.067 11.858 5.79468 7.46176 5.85442 numMergedOcc 0
58 mol 259 unq 2 iso 0 dist 7.48005 12.5353 8.37865 10.067 6.23661 7.09907 12.0576 5.31048 5.30224 6.9899 numMergedOcc 0
59 mol 259 unq 2 iso 1 dist 8.37865 12.5353 7.48005 7.09907 6.23661 10.067 5.30224 5.31048 12.0576 6.9899 numMergedOcc 0
