0 mol 7 unq 0 iso 0 dist 6.36911 6.88805 8.81608 10.5461 10.515 9.67164 8.41585 6.06176 5.99459 12.2041 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.36911 6.88805 8.81608 8.41585 6.06176 5.99459 10.5461 10.515 9.67164 12.2041 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.36807 13.156 8.81608 7.10621 10.515 9.67164 12.2333 6.06176 5.99459 12.2041 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 9.36807 13.156 8.81608 12.2333 6.06176 5.99459 7.10621 10.515 9.67164 12.2041 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.81638 6.07871 8.13051 12.6159 10.3598 9.97769 10.3617 6.00578 9.32706 5.23069 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 8.81638 6.07871 8.13051 10.3617 6.00578 9.32706 12.6159 10.3598 9.97769 5.23069 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.81638 6.07871 8.13051 12.6159 10.3598 9.97769 14.5434 11.6697 9.08221 7.5247 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 8.81638 6.07871 8.13051 14.5434 11.6697 9.08221 12.6159 10.3598 9.97769 7.5247 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.81638 6.07871 8.13051 10.3617 6.00578 9.32706 14.5434 11.6697 9.08221 10.0658 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 8.81638 6.07871 8.13051 14.5434 11.6697 9.08221 10.3617 6.00578 9.32706 10.0658 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.33535 9.53718 7.03126 17.3504 10.8078 8.66539 12.0187 5.98837 5.38524 5.79773 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 9.33535 9.53718 7.03126 12.0187 5.98837 5.38524 17.3504 10.8078 8.66539 5.79773 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 9.33535 9.53718 7.03126 17.3504 10.8078 8.66539 10.1508 4.55117 8.69057 10.8779 numMergedOcc 0
13 mol 58 unq 3 iso 1 dist 9.33535 9.53718 7.03126 10.1508 4.55117 8.69057 17.3504 10.8078 8.66539 10.8779 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 9.33535 9.53718 7.03126 12.0187 5.98837 5.38524 10.1508 4.55117 8.69057 5.47421 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 9.33535 9.53718 7.03126 10.1508 4.55117 8.69057 12.0187 5.98837 5.38524 5.47421 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 8.26899 5.61579 7.03126 11.715 10.8078 8.66539 6.81627 5.98837 5.38524 5.79773 numMergedOcc 0
17 mol 58 unq 4 iso 1 dist 8.26899 5.61579 7.03126 6.81627 5.98837 5.38524 11.715 10.8078 8.66539 5.79773 numMergedOcc 0
18 mol 58 unq 5 iso 0 dist 8.26899 5.61579 7.03126 11.715 10.8078 8.66539 7.32874 4.55117 8.69057 10.8779 numMergedOcc 0
19 mol 58 unq 5 iso 1 dist 8.26899 5.61579 7.03126 7.32874 4.55117 8.69057 11.715 10.8078 8.66539 10.8779 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 8.26899 5.61579 7.03126 6.81627 5.98837 5.38524 7.32874 4.55117 8.69057 5.47421 numMergedOcc 0
21 mol 58 unq 5 iso 1 dist 8.26899 5.61579 7.03126 7.32874 4.55117 8.69057 6.81627 5.98837 5.38524 5.47421 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 7.321 7.47371 9.14817 10.8086 6.00418 9.74228 9.96708 9.0131 7.12321 5.36766 numMergedOcc 0
23 mol 72 unq 0 iso 1 dist 7.321 7.47371 9.14817 9.96708 9.0131 7.12321 10.8086 6.00418 9.74228 5.36766 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 7.321 7.47371 9.14817 10.8086 6.00418 9.74228 9.78528 6.11922 6.21799 7.04035 numMergedOcc 0
25 mol 72 unq 1 iso 1 dist 7.321 7.47371 9.14817 9.78528 6.11922 6.21799 10.8086 6.00418 9.74228 7.04035 numMergedOcc 0
26 mol 72 unq 1 iso 0 dist 7.321 7.47371 9.14817 9.96708 9.0131 7.12321 9.78528 6.11922 6.21799 8.24309 numMergedOcc 0
27 mol 72 unq 1 iso 1 dist 7.321 7.47371 9.14817 9.78528 6.11922 6.21799 9.96708 9.0131 7.12321 8.24309 numMergedOcc 0
28 mol 72 unq 2 iso 0 dist 7.321 9.67587 9.76686 9.78528 6.11922 5.03251 15.1902 9.93049 9.56773 5.8486 numMergedOcc 0
29 mol 72 unq 2 iso 1 dist 7.321 9.67587 9.76686 15.1902 9.93049 9.56773 9.78528 6.11922 5.03251 5.8486 numMergedOcc 0
30 mol 78 unq 0 iso 0 dist 8.30646 4.77202 5.47706 11.3054 4.92509 6.85523 11.2771 5.22036 8.65848 7.19663 numMergedOcc 0
31 mol 78 unq 0 iso 1 dist 8.30646 4.77202 5.47706 11.2771 5.22036 8.65848 11.3054 4.92509 6.85523 7.19663 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 7.76729 6.63111 8.0168 9.33865 10.7942 6.39384 5.83991 10.9739 9.42082 7.69052 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 7.76729 6.63111 8.0168 5.83991 10.9739 9.42082 9.33865 10.7942 6.39384 7.69052 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 23.1442 16.7975 8.95212 14.5183 7.36192 6.99446 10.9871 numMergedOcc 0
35 mol 119 unq 0 iso 1 dist 7.39889 14.443 9.08536 14.5183 7.36192 6.99446 23.1442 16.7975 8.95212 10.9871 numMergedOcc 0
36 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 23.1442 16.7975 8.95212 16.7981 10.6679 7.64052 9.93257 numMergedOcc 0
37 mol 119 unq 1 iso 1 dist 7.39889 14.443 9.08536 16.7981 10.6679 7.64052 23.1442 16.7975 8.95212 9.93257 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 14.5183 7.36192 6.99446 16.7981 10.6679 7.64052 4.85907 numMergedOcc 0
39 mol 119 unq 1 iso 1 dist 7.39889 14.443 9.08536 16.7981 10.6679 7.64052 14.5183 7.36192 6.99446 4.85907 numMergedOcc 0
40 mol 119 unq 2 iso 0 dist 9.63176 9.68677 9.08536 16.4353 16.7975 8.95212 10.3704 7.36192 6.99446 10.9871 numMergedOcc 0
41 mol 119 unq 2 iso 1 dist 9.63176 9.68677 9.08536 10.3704 7.36192 6.99446 16.4353 16.7975 8.95212 10.9871 numMergedOcc 0
42 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 16.4353 16.7975 8.95212 8.73993 10.6679 7.64052 9.93257 numMergedOcc 0
43 mol 119 unq 3 iso 1 dist 9.63176 9.68677 9.08536 8.73993 10.6679 7.64052 16.4353 16.7975 8.95212 9.93257 numMergedOcc 0
44 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 10.3704 7.36192 6.99446 8.73993 10.6679 7.64052 4.85907 numMergedOcc 0
45 mol 119 unq 3 iso 1 dist 9.63176 9.68677 9.08536 8.73993 10.6679 7.64052 10.3704 7.36192 6.99446 4.85907 numMergedOcc 0
46 mol 119 unq 4 iso 0 dist 6.19042 6.20019 6.13374 13.9919 10.3457 8.95212 9.87172 6.35763 6.99446 10.9871 numMergedOcc 0
47 mol 119 unq 4 iso 1 dist 6.19042 6.20019 6.13374 9.87172 6.35763 6.99446 13.9919 10.3457 8.95212 10.9871 numMergedOcc 0
48 mol 119 unq 5 iso 0 dist 6.19042 6.20019 6.13374 13.9919 10.3457 8.95212 12.6489 10.0197 7.64052 9.93257 numMergedOcc 0
49 mol 119 unq 5 iso 1 dist 6.19042 6.20019 6.13374 12.6489 10.0197 7.64052 13.9919 10.3457 8.95212 9.93257 numMergedOcc 0
50 mol 119 unq 5 iso 0 dist 6.19042 6.20019 6.13374 9.87172 6.35763 6.99446 12.6489 10.0197 7.64052 4.85907 numMergedOcc 0
51 mol 119 unq 5 iso 1 dist 6.19042 6.20019 6.13374 12.6489 10.0197 7.64052 9.87172 6.35763 6.99446 4.85907 numMergedOcc 0
52 mol 119 unq 6 iso 0 dist 7.44174 6.20019 9.08536 13.9919 16.7975 8.95212 9.87172 7.36192 6.99446 10.9871 numMergedOcc 0
53 mol 119 unq 6 iso 1 dist 7.44174 6.20019 9.08536 9.87172 7.36192 6.99446 13.9919 16.7975 8.95212 10.9871 numMergedOcc 0
54 mol 119 unq 7 iso 0 dist 7.44174 6.20019 9.08536 13.9919 16.7975 8.95212 12.6489 10.6679 7.64052 9.93257 numMergedOcc 0
55 mol 119 unq 7 iso 1 dist 7.44174 6.20019 9.08536 12.6489 10.6679 7.64052 13.9919 16.7975 8.95212 9.93257 numMergedOcc 0
56 mol 119 unq 7 iso 0 dist 7.44174 6.20019 9.08536 9.87172 7.36192 6.99446 12.6489 10.6679 7.64052 4.85907 numMergedOcc 0
57 mol 119 unq 7 iso 1 dist 7.44174 6.20019 9.08536 12.6489 10.6679 7.64052 9.87172 7.36192 6.99446 4.85907 numMergedOcc 0
58 mol 119 unq 8 iso 0 dist 8.43904 4.39676 6.13374 6.18601 10.3457 8.95212 10.1813 6.35763 6.99446 10.9871 numMergedOcc 0
59 mol 119 unq 8 iso 1 dist 8.43904 4.39676 6.13374 10.1813 6.35763 6.99446 6.18601 10.3457 8.95212 10.9871 numMergedOcc 0
60 mol 119 unq 9 iso 0 dist 8.43904 4.39676 6.13374 6.18601 10.3457 8.95212 9.72413 10.0197 7.64052 9.93257 numMergedOcc 0
61 mol 119 unq 9 iso 1 dist 8.43904 4.39676 6.13374 9.72413 10.0197 7.64052 6.18601 10.3457 8.95212 9.93257 numMergedOcc 0
62 mol 119 unq 9 iso 0 dist 8.43904 4.39676 6.13374 10.1813 6.35763 6.99446 9.72413 10.0197 7.64052 4.85907 numMergedOcc 0
63 mol 119 unq 9 iso 1 dist 8.43904 4.39676 6.13374 9.72413 10.0197 7.64052 10.1813 6.35763 6.99446 4.85907 numMergedOcc 0
64 mol 181 unq 0 iso 0 dist 4.93785 5.71898 6.76746 7.81386 6.7991 9.01624 9.81747 8.35755 5.05973 11.5866 numMergedOcc 0
65 mol 181 unq 0 iso 1 dist 4.93785 5.71898 6.76746 9.81747 8.35755 5.05973 7.81386 6.7991 9.01624 11.5866 numMergedOcc 0
66 mol 197 unq 0 iso 0 dist 8.99696 17.0276 9.27218 11.6759 5.2908 9.10817 11.3819 6.23998 6.86828 5.43601 numMergedOcc 0
67 mol 197 unq 0 iso 1 dist 8.99696 17.0276 9.27218 11.3819 6.23998 6.86828 11.6759 5.2908 9.10817 5.43601 numMergedOcc 0
68 mol 224 unq 0 iso 0 dist 8.19953 5.13732 5.73591 6.61986 10.7113 8.08349 13.4025 11.4252 9.78218 10.3613 numMergedOcc 0
69 mol 224 unq 0 iso 1 dist 8.19953 5.13732 5.73591 13.4025 11.4252 9.78218 6.61986 10.7113 8.08349 10.3613 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 6.16063 13.1872 9.11572 10.3625 5.56749 7.81215 11.0622 8.0608 5.64285 10.2693 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 6.16063 13.1872 9.11572 11.0622 8.0608 5.64285 10.3625 5.56749 7.81215 10.2693 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 7.49471 12.7938 5.43613 11.0896 5.54325 6.99888 6.22714 5.17471 9.08509 10.1813 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 7.49471 12.7938 5.43613 6.22714 5.17471 9.08509 11.0896 5.54325 6.99888 10.1813 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 7.19008 11.0772 5.43613 11.5794 5.54325 6.99888 7.31233 5.17471 9.08509 10.1813 numMergedOcc 0
75 mol 238 unq 1 iso 1 dist 7.19008 11.0772 5.43613 7.31233 5.17471 9.08509 11.5794 5.54325 6.99888 10.1813 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 7.48005 10.067 6.23661 7.46176 5.79468 5.85442 12.0576 5.31048 6.9899 9.98105 numMergedOcc 0
77 mol 259 unq 0 iso 1 dist 7.48005 10.067 6.23661 12.0576 5.31048 6.9899 7.46176 5.79468 5.85442 9.98105 numMergedOcc 0
78 mol 259 unq 1 iso 0 dist 8.37865 7.09907 6.23661 11.858 5.79468 5.85442 5.30224 5.31048 6.9899 9.98105 numMergedOcc 0
79 mol 259 unq 1 iso 1 dist 8.37865 7.09907 6.23661 5.30224 5.31048 6.9899 11.858 5.79468 5.85442 9.98105 numMergedOcc 0
80 mol 267 unq 0 iso 0 dist 8.76007 9.22276 5.08174 15.5427 7.11419 8.8293 14.4611 6.45566 7.34981 5.91646 numMergedOcc 0
81 mol 267 unq 0 iso 1 dist 8.76007 9.22276 5.08174 14.4611 6.45566 7.34981 15.5427 7.11419 8.8293 5.91646 numMergedOcc 0
