0 mol 0 unq 0 iso 0 dist 6.80636 5.56852 5.88757 11.5668 10.5877 9.72725 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 12.9149 8.66548 15.3236 14.2251 9.72725 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 8.56884 4.50502 5.96833 10.488 5.11735 6.86701 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 6.36911 6.88805 8.81608 10.5461 10.515 9.67164 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 6.36911 6.88805 8.81608 8.41585 6.06176 5.99459 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 9.36807 13.156 8.81608 7.10621 10.515 9.67164 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 9.36807 13.156 8.81608 12.2333 6.06176 5.99459 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 6.85412 5.84314 9.71516 8.57077 8.27962 5.8245 numMergedOcc 0
8 mol 9 unq 1 iso 0 dist 6.33889 5.84314 9.81658 8.57077 11.4878 5.8245 numMergedOcc 0
9 mol 15 unq 0 iso 0 dist 9.29358 6.91314 9.51568 11.3543 6.67334 8.85174 numMergedOcc 0
10 mol 18 unq 0 iso 0 dist 8.52106 6.11048 5.04478 11.103 7.04695 5.65084 numMergedOcc 0
11 mol 18 unq 1 iso 0 dist 6.32451 4.52259 5.04478 9.94539 7.04695 5.65084 numMergedOcc 0
12 mol 26 unq 0 iso 0 dist 6.73162 7.11305 9.96121 10.2542 6.10146 9.12845 numMergedOcc 0
13 mol 45 unq 0 iso 0 dist 9.20119 12.466 5.81001 15.0348 7.39653 5.94756 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 8.81638 6.07871 8.13051 12.6159 10.3598 9.97769 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 8.81638 6.07871 8.13051 10.3617 6.00578 9.32706 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 8.81638 6.07871 8.13051 14.5434 11.6697 9.08221 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 9.33535 9.53718 7.03126 17.3504 10.8078 8.66539 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 9.33535 9.53718 7.03126 12.0187 5.98837 5.38524 numMergedOcc 0
19 mol 58 unq 5 iso 0 dist 9.33535 9.53718 7.03126 10.1508 4.55117 8.69057 numMergedOcc 0
20 mol 58 unq 6 iso 0 dist 8.26899 5.61579 7.03126 11.715 10.8078 8.66539 numMergedOcc 0
21 mol 58 unq 7 iso 0 dist 8.26899 5.61579 7.03126 6.81627 5.98837 5.38524 numMergedOcc 0
22 mol 58 unq 8 iso 0 dist 8.26899 5.61579 7.03126 7.32874 4.55117 8.69057 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 8.624 3.94376 5.4605 10.8086 7.11552 9.55118 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 6.77912 5.69391 5.4605 9.96708 7.11552 9.55118 numMergedOcc 0
25 mol 72 unq 2 iso 0 dist 7.321 7.47371 9.14817 10.8086 6.00418 9.74228 numMergedOcc 0
26 mol 72 unq 3 iso 0 dist 7.321 7.47371 9.14817 9.96708 9.0131 7.12321 numMergedOcc 0
27 mol 72 unq 4 iso 0 dist 7.321 7.47371 9.14817 9.78528 6.11922 6.21799 numMergedOcc 0
28 mol 72 unq 5 iso 0 dist 7.321 9.67587 9.76686 9.78528 6.11922 5.03251 numMergedOcc 0
29 mol 72 unq 6 iso 0 dist 7.321 9.67587 9.76686 15.1902 9.93049 9.56773 numMergedOcc 0
30 mol 72 unq 7 iso 0 dist 7.321 7.07356 9.437 9.78528 6.11922 7.66093 numMergedOcc 0
31 mol 76 unq 0 iso 0 dist 6.21982 5.31985 9.4866 10.0992 10.963 8.13108 numMergedOcc 0
32 mol 76 unq 1 iso 0 dist 8.19682 15.4159 9.4866 16.758 10.963 8.13108 numMergedOcc 0
33 mol 78 unq 0 iso 0 dist 8.30646 4.77202 5.47706 11.3054 4.92509 6.85523 numMergedOcc 0
34 mol 78 unq 1 iso 0 dist 8.30646 4.77202 5.47706 11.2771 5.22036 8.65848 numMergedOcc 0
35 mol 78 unq 2 iso 0 dist 8.30646 8.12982 8.89842 11.2771 5.22036 7.25801 numMergedOcc 0
36 mol 78 unq 3 iso 0 dist 8.30646 11.8801 8.07568 11.3054 4.92509 5.77326 numMergedOcc 0
37 mol 115 unq 0 iso 0 dist 7.76729 6.63111 8.0168 9.33865 10.7942 6.39384 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 7.76729 6.63111 8.0168 5.83991 10.9739 9.42082 numMergedOcc 0
39 mol 115 unq 2 iso 0 dist 7.64585 6.95773 7.65255 9.33865 10.2377 6.24825 numMergedOcc 0
40 mol 117 unq 0 iso 0 dist 6.62561 7.20875 9.94053 7.90328 4.91401 8.84018 numMergedOcc 0
41 mol 117 unq 1 iso 0 dist 7.63616 3.77029 9.94053 7.83136 4.91401 8.84018 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 23.1442 16.7975 8.95212 numMergedOcc 0
43 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 14.5183 7.36192 6.99446 numMergedOcc 0
44 mol 119 unq 2 iso 0 dist 7.39889 14.443 9.08536 16.7981 10.6679 7.64052 numMergedOcc 0
45 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 16.4353 16.7975 8.95212 numMergedOcc 0
46 mol 119 unq 4 iso 0 dist 9.63176 9.68677 9.08536 10.3704 7.36192 6.99446 numMergedOcc 0
47 mol 119 unq 5 iso 0 dist 9.63176 9.68677 9.08536 8.73993 10.6679 7.64052 numMergedOcc 0
48 mol 119 unq 6 iso 0 dist 6.19042 6.20019 6.13374 13.9919 10.3457 8.95212 numMergedOcc 0
49 mol 119 unq 7 iso 0 dist 6.19042 6.20019 6.13374 9.87172 6.35763 6.99446 numMergedOcc 0
50 mol 119 unq 8 iso 0 dist 6.19042 6.20019 6.13374 12.6489 10.0197 7.64052 numMergedOcc 0
51 mol 119 unq 9 iso 0 dist 7.44174 6.20019 9.08536 13.9919 16.7975 8.95212 numMergedOcc 0
52 mol 119 unq 10 iso 0 dist 7.44174 6.20019 9.08536 9.87172 7.36192 6.99446 numMergedOcc 0
53 mol 119 unq 11 iso 0 dist 7.44174 6.20019 9.08536 12.6489 10.6679 7.64052 numMergedOcc 0
54 mol 119 unq 12 iso 0 dist 8.43904 4.39676 6.13374 6.18601 10.3457 8.95212 numMergedOcc 0
55 mol 119 unq 13 iso 0 dist 8.43904 4.39676 6.13374 10.1813 6.35763 6.99446 numMergedOcc 0
56 mol 119 unq 14 iso 0 dist 8.43904 4.39676 6.13374 9.72413 10.0197 7.64052 numMergedOcc 0
57 mol 143 unq 0 iso 0 dist 7.31468 7.63293 7.05845 10.6877 6.01455 7.36975 numMergedOcc 0
58 mol 143 unq 1 iso 0 dist 7.7056 11.903 7.05845 12.7524 6.01455 7.36975 numMergedOcc 0
59 mol 155 unq 0 iso 0 dist 9.38946 4.91785 7.29911 6.43582 12.8482 8.97626 numMergedOcc 0
60 mol 155 unq 1 iso 0 dist 7.39644 7.10286 5.36254 10.7829 8.27726 8.97626 numMergedOcc 0
61 mol 155 unq 2 iso 0 dist 7.36102 4.91785 5.36254 6.43582 8.27726 8.97626 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 4.93785 6.8757 9.09234 7.81386 6.7991 6.64173 numMergedOcc 0
63 mol 181 unq 1 iso 0 dist 4.93785 5.71898 6.76746 7.81386 6.7991 9.01624 numMergedOcc 0
64 mol 181 unq 2 iso 0 dist 4.93785 5.71898 6.76746 9.81747 8.35755 5.05973 numMergedOcc 0
65 mol 181 unq 3 iso 0 dist 4.93785 5.83796 8.92098 7.81386 6.7991 9.55105 numMergedOcc 0
66 mol 184 unq 0 iso 0 dist 9.52936 13.8904 7.59939 15.173 6.47974 6.73504 numMergedOcc 0
67 mol 184 unq 1 iso 0 dist 9.15417 10.3179 7.59939 13.8822 6.47974 6.73504 numMergedOcc 0
68 mol 197 unq 0 iso 0 dist 8.99696 17.0276 9.27218 11.6759 5.2908 9.10817 numMergedOcc 0
69 mol 197 unq 1 iso 0 dist 8.99696 17.0276 9.27218 11.3819 6.23998 6.86828 numMergedOcc 0
70 mol 214 unq 0 iso 0 dist 7.46831 11.1534 8.70987 8.85478 6.67959 7.46481 numMergedOcc 0
71 mol 214 unq 1 iso 0 dist 8.60247 7.19184 8.70987 11.9355 6.67959 7.46481 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 8.19953 5.13732 5.73591 6.61986 10.7113 8.08349 numMergedOcc 0
73 mol 224 unq 1 iso 0 dist 8.19953 5.13732 5.73591 13.4025 11.4252 9.78218 numMergedOcc 0
74 mol 233 unq 0 iso 0 dist 9.43203 6.8325 6.01775 15.159 8.96098 8.51625 numMergedOcc 0
75 mol 234 unq 0 iso 0 dist 6.16063 13.1872 9.11572 10.3625 5.56749 7.81215 numMergedOcc 0
76 mol 234 unq 1 iso 0 dist 6.16063 13.1872 9.11572 11.0622 8.0608 5.64285 numMergedOcc 0
77 mol 238 unq 0 iso 0 dist 7.49471 12.7938 5.43613 11.0896 5.54325 6.99888 numMergedOcc 0
78 mol 238 unq 1 iso 0 dist 7.49471 12.7938 5.43613 6.22714 5.17471 9.08509 numMergedOcc 0
79 mol 238 unq 2 iso 0 dist 7.19008 11.0772 5.43613 11.5794 5.54325 6.99888 numMergedOcc 0
80 mol 238 unq 3 iso 0 dist 7.19008 11.0772 5.43613 7.31233 5.17471 9.08509 numMergedOcc 0
81 mol 248 unq 0 iso 0 dist 6.07192 4.58289 5.0345 7.69895 6.48757 9.05018 numMergedOcc 0
82 mol 259 unq 0 iso 0 dist 7.48005 10.282 8.84648 12.0576 5.31048 8.03219 numMergedOcc 0
83 mol 259 unq 1 iso 0 dist 7.48005 10.067 6.23661 7.46176 5.79468 5.85442 numMergedOcc 0
84 mol 259 unq 2 iso 0 dist 7.48005 10.067 6.23661 12.0576 5.31048 6.9899 numMergedOcc 0
85 mol 259 unq 3 iso 0 dist 8.37865 4.04513 8.84648 5.30224 5.31048 8.03219 numMergedOcc 0
86 mol 259 unq 4 iso 0 dist 8.37865 7.09907 6.23661 11.858 5.79468 5.85442 numMergedOcc 0
87 mol 259 unq 5 iso 0 dist 8.37865 7.09907 6.23661 5.30224 5.31048 6.9899 numMergedOcc 0
88 mol 267 unq 0 iso 0 dist 8.76007 9.22276 5.08174 15.5427 7.11419 8.8293 numMergedOcc 0
89 mol 267 unq 1 iso 0 dist 8.76007 9.22276 5.08174 14.4611 6.45566 7.34981 numMergedOcc 0
90 mol 272 unq 0 iso 0 dist 7.67853 5.12237 8.84523 8.48753 6.64985 6.44147 numMergedOcc 0
91 mol 274 unq 0 iso 0 dist 9.19234 8.87855 6.66172 10.7806 5.31116 6.4611 numMergedOcc 0
