0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 12.9149 12.5416 8.66548 15.3236 14.9294 14.2251 9.72725 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 12.9149 15.8082 8.66548 15.3236 15.247 14.2251 9.72725 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 9.00903 8.56884 9.01967 4.50502 10.8992 5.96833 10.488 13.3466 5.11735 6.86701 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 10.5461 12.2041 10.515 9.67164 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 12.2333 12.2041 6.06176 5.99459 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 7.11305 14.8317 9.96121 10.2542 12.875 6.10146 9.12845 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 12.466 12.457 5.81001 15.0348 13.7975 7.39653 5.94756 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 11.715 5.79773 10.8078 8.66539 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 7.32874 5.47421 4.55117 8.69057 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 11.715 10.8779 10.8078 8.66539 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 6.81627 5.47421 5.98837 5.38524 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 9.55426 8.26899 10.3782 5.61579 13.1897 7.03126 11.715 14.4309 10.8078 8.66539 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 5.61579 13.1897 7.03126 6.81627 9.7274 5.98837 5.38524 numMergedOcc 0
13 mol 58 unq 6 iso 0 dist 9.55426 8.26899 10.3782 5.61579 13.1897 7.03126 7.32874 5.90225 4.55117 8.69057 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 5.69391 13.6019 5.4605 9.96708 10.7394 7.11552 9.55118 numMergedOcc 0
15 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 10.8086 5.36766 6.00418 9.74228 numMergedOcc 0
16 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 9.78528 8.24309 6.11922 6.21799 numMergedOcc 0
17 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 9.67587 9.35457 9.76686 9.78528 8.24309 6.11922 5.03251 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 9.96708 7.321 9.0131 9.67587 9.35457 9.76686 15.1902 10.1538 9.93049 9.56773 numMergedOcc 0
19 mol 72 unq 5 iso 0 dist 9.96708 7.321 9.0131 7.07356 12.1131 9.437 9.78528 8.24309 6.11922 7.66093 numMergedOcc 0
20 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 10.8086 7.04035 6.00418 9.74228 numMergedOcc 0
21 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 9.96708 8.24309 9.0131 7.12321 numMergedOcc 0
22 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 15.1902 5.8486 9.93049 9.56773 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 5.83991 7.69052 10.9739 9.42082 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 9.33865 7.69052 10.7942 6.39384 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 6.11741 7.64585 10.8939 6.95773 10.0255 7.65255 9.33865 8.02349 10.2377 6.24825 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 7.20875 16.804 9.94053 7.90328 13.1058 4.91401 8.84018 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 16.4353 9.93257 16.7975 8.95212 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 10.3704 4.85907 7.36192 6.99446 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 13.9919 10.9871 10.3457 8.95212 numMergedOcc 0
30 mol 119 unq 3 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 12.6489 4.85907 10.0197 7.64052 numMergedOcc 0
31 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 13.9919 10.9871 16.7975 8.95212 numMergedOcc 0
32 mol 119 unq 5 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 12.6489 4.85907 10.6679 7.64052 numMergedOcc 0
33 mol 119 unq 6 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 10.1813 10.9871 6.35763 6.99446 numMergedOcc 0
34 mol 119 unq 7 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 9.72413 9.93257 10.0197 7.64052 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 9.81747 11.5866 8.35755 5.05973 numMergedOcc 0
36 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 17.0276 12.8171 9.27218 11.6759 10.6112 5.2908 9.10817 numMergedOcc 0
37 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 17.0276 12.8171 9.27218 11.3819 6.74191 6.23998 6.86828 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 9.40098 8.19953 8.64911 5.13732 11.2501 5.73591 6.61986 9.54151 10.7113 8.08349 numMergedOcc 0
39 mol 224 unq 1 iso 0 dist 9.40098 8.19953 8.64911 5.13732 11.2501 5.73591 13.4025 15.5013 11.4252 9.78218 numMergedOcc 0
40 mol 224 unq 2 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 13.4025 10.3613 11.4252 9.78218 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 8.41436 6.16063 11.3297 13.1872 17.3846 9.11572 10.3625 16.814 5.56749 7.81215 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 8.41436 6.16063 11.3297 13.1872 17.3846 9.11572 11.0622 12.7009 8.0608 5.64285 numMergedOcc 0
43 mol 234 unq 2 iso 0 dist 8.92474 6.16063 10.2563 13.1872 11.3419 9.11572 10.3625 14.1297 5.56749 7.81215 numMergedOcc 0
44 mol 234 unq 3 iso 0 dist 8.92474 6.16063 10.2563 13.1872 11.3419 9.11572 11.0622 6.87903 8.0608 5.64285 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 11.0896 10.1813 5.54325 6.99888 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 11.5794 10.1813 5.54325 6.99888 numMergedOcc 0
47 mol 248 unq 0 iso 0 dist 7.21521 6.07192 5.51827 4.58289 9.33962 5.0345 7.69895 5.55137 6.48757 9.05018 numMergedOcc 0
48 mol 248 unq 1 iso 0 dist 8.2965 6.07192 9.29921 4.58289 11.4547 5.0345 7.69895 10.8081 6.48757 9.05018 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 10.282 14.2242 8.84648 12.0576 15.8535 5.31048 8.03219 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 10.067 10.3406 6.23661 7.46176 6.96053 5.79468 5.85442 numMergedOcc 0
51 mol 259 unq 2 iso 0 dist 7.88519 7.48005 11.6195 10.067 10.3406 6.23661 12.0576 15.8535 5.31048 6.9899 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 10.282 16.7322 8.84648 12.0576 16.9228 5.31048 8.03219 numMergedOcc 0
53 mol 259 unq 4 iso 0 dist 7.84554 7.48005 11.8736 10.067 12.8546 6.23661 7.46176 7.64658 5.79468 5.85442 numMergedOcc 0
54 mol 259 unq 5 iso 0 dist 7.84554 7.48005 11.8736 10.067 12.8546 6.23661 12.0576 16.9228 5.31048 6.9899 numMergedOcc 0
55 mol 259 unq 6 iso 0 dist 7.46176 7.48005 5.79468 10.282 11.7465 8.84648 12.0576 9.98105 5.31048 8.03219 numMergedOcc 0
56 mol 259 unq 7 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 12.0576 9.98105 5.31048 6.9899 numMergedOcc 0
57 mol 259 unq 8 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 11.858 9.98105 5.79468 5.85442 numMergedOcc 0
58 mol 259 unq 9 iso 0 dist 9.18903 7.48005 12.6649 10.282 19.0182 8.84648 12.0576 17.9439 5.31048 8.03219 numMergedOcc 0
59 mol 259 unq 10 iso 0 dist 9.18903 7.48005 12.6649 10.067 16.0301 6.23661 7.46176 10.5239 5.79468 5.85442 numMergedOcc 0
60 mol 259 unq 11 iso 0 dist 9.18903 7.48005 12.6649 10.067 16.0301 6.23661 12.0576 17.9439 5.31048 6.9899 numMergedOcc 0
