0 mol 59 unq 0 iso 0 dist 8.17564 10.6918 6.23899 5.87788 9.43355 11.1914 10.8351 8.67634 4.53828 13.144 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.17564 10.6918 6.23899 15.4376 7.9327 6.435 10.8351 8.67634 4.53828 9.37875 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 7.19213 7.5168 6.23899 5.46359 9.43355 11.1914 8.08163 8.67634 4.53828 13.144 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 7.19213 7.5168 6.23899 13.0982 7.9327 6.435 8.08163 8.67634 4.53828 9.37875 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 6.94351 9.2891 6.23899 16.3671 9.43355 11.1914 10.8454 8.67634 4.53828 13.144 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 6.94351 9.2891 6.23899 5.83238 7.9327 6.435 10.8454 8.67634 4.53828 9.37875 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.44714 5.19652 6.81812 9.69428 7.33541 9.76608 3.97791 5.29949 8.50705 11.0969 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 4.08294 7.52142 6.40494 8.29196 7.65255 6.95773 6.44969 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 12.2067 7.26955 5.92984 5.99531 6.55202 6.30721 10.3622 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 12.2067 7.26955 5.92984 11.2265 9.08536 14.443 14.9264 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.95838 5.85391 9.63176 12.2067 7.26955 15.5019 5.99531 6.55202 6.9194 10.3622 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.95838 5.85391 9.63176 12.2067 7.26955 15.5019 11.2265 9.08536 9.68677 14.9264 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 8.95838 11.0075 7.44174 12.2067 7.26955 10.314 5.99531 6.55202 12.4621 10.3622 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 8.95838 11.0075 7.44174 12.2067 7.26955 10.314 11.2265 9.08536 6.20019 14.9264 numMergedOcc 0
14 mol 119 unq 6 iso 0 dist 9.47892 9.58951 7.39889 4.09788 7.26955 5.92984 13.9667 6.55202 6.30721 10.3622 numMergedOcc 0
15 mol 119 unq 7 iso 0 dist 9.47892 9.58951 7.39889 4.09788 7.26955 5.92984 15.453 9.08536 14.443 14.9264 numMergedOcc 0
16 mol 119 unq 8 iso 0 dist 9.47892 18.2257 9.63176 4.09788 7.26955 15.5019 13.9667 6.55202 6.9194 10.3622 numMergedOcc 0
17 mol 119 unq 9 iso 0 dist 9.47892 18.2257 9.63176 4.09788 7.26955 15.5019 15.453 9.08536 9.68677 14.9264 numMergedOcc 0
18 mol 119 unq 10 iso 0 dist 9.47892 9.93013 7.44174 4.09788 7.26955 10.314 13.9667 6.55202 12.4621 10.3622 numMergedOcc 0
19 mol 119 unq 11 iso 0 dist 9.47892 9.93013 7.44174 4.09788 7.26955 10.314 15.453 9.08536 6.20019 14.9264 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 14.3207 6.46089 10.0059 5.36037 7.05845 7.63293 12.207 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 9.43335 10.5005 7.7056 14.3207 6.46089 8.57817 5.36037 7.05845 11.903 12.207 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 9.9492 9.79072 7.31468 6.3462 6.46089 10.0059 15.3503 7.05845 7.63293 12.207 numMergedOcc 0
23 mol 143 unq 3 iso 0 dist 9.9492 5.80488 7.7056 6.3462 6.46089 8.57817 15.3503 7.05845 11.903 12.207 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 7.6477 8.41245 6.14414 15.8873 8.62366 12.4131 16.0084 numMergedOcc 0
25 mol 173 unq 1 iso 0 dist 9.56248 8.11337 7.93331 7.6477 8.41245 6.14414 14.9274 9.44973 8.85462 13.8465 numMergedOcc 0
26 mol 173 unq 2 iso 0 dist 9.56248 8.11337 7.93331 7.6477 8.41245 6.14414 9.35913 6.52508 6.91529 11.2063 numMergedOcc 0
27 mol 173 unq 3 iso 0 dist 9.56248 8.11337 7.93331 5.04427 6.64779 4.72839 15.8873 8.62366 12.4131 11.3761 numMergedOcc 0
28 mol 173 unq 4 iso 0 dist 9.56248 8.11337 7.93331 5.04427 6.64779 4.72839 14.9274 9.44973 8.85462 9.90783 numMergedOcc 0
29 mol 173 unq 5 iso 0 dist 9.56248 8.11337 7.93331 5.04427 6.64779 4.72839 9.35913 6.52508 6.91529 4.60149 numMergedOcc 0
30 mol 173 unq 6 iso 0 dist 9.56248 10.8336 6.98095 7.6477 8.41245 5.27321 15.8873 8.62366 12.5815 16.0084 numMergedOcc 0
31 mol 173 unq 7 iso 0 dist 9.56248 10.8336 6.98095 7.6477 8.41245 5.27321 14.9274 9.44973 9.65654 13.8465 numMergedOcc 0
32 mol 173 unq 8 iso 0 dist 9.56248 10.8336 6.98095 7.6477 8.41245 5.27321 9.35913 6.52508 9.44845 11.2063 numMergedOcc 0
33 mol 173 unq 9 iso 0 dist 9.56248 10.8336 6.98095 5.04427 6.64779 8.07089 15.8873 8.62366 12.5815 11.3761 numMergedOcc 0
34 mol 173 unq 10 iso 0 dist 9.56248 10.8336 6.98095 5.04427 6.64779 8.07089 14.9274 9.44973 9.65654 9.90783 numMergedOcc 0
35 mol 173 unq 11 iso 0 dist 9.56248 10.8336 6.98095 5.04427 6.64779 8.07089 9.35913 6.52508 9.44845 4.60149 numMergedOcc 0
36 mol 173 unq 12 iso 0 dist 9.56248 10.6484 8.31897 7.6477 8.41245 10.8609 15.8873 8.62366 8.63452 16.0084 numMergedOcc 0
37 mol 173 unq 13 iso 0 dist 9.56248 10.6484 8.31897 7.6477 8.41245 10.8609 14.9274 9.44973 4.83786 13.8465 numMergedOcc 0
38 mol 173 unq 14 iso 0 dist 9.56248 10.6484 8.31897 7.6477 8.41245 10.8609 9.35913 6.52508 3.74688 11.2063 numMergedOcc 0
39 mol 173 unq 15 iso 0 dist 9.56248 10.6484 8.31897 5.04427 6.64779 5.70743 15.8873 8.62366 8.63452 11.3761 numMergedOcc 0
40 mol 173 unq 16 iso 0 dist 9.56248 10.6484 8.31897 5.04427 6.64779 5.70743 14.9274 9.44973 4.83786 9.90783 numMergedOcc 0
41 mol 173 unq 17 iso 0 dist 9.56248 10.6484 8.31897 5.04427 6.64779 5.70743 9.35913 6.52508 3.74688 4.60149 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 6.17129 4.3158 4.93785 6.78739 7.05653 7.77758 7.19461 9.09234 6.8757 4.98436 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 6.17129 4.3158 4.93785 6.78739 7.05653 7.77758 9.77747 6.76746 5.71898 11.9796 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 6.17129 4.3158 4.93785 6.78739 7.05653 7.77758 10.0615 8.92098 5.83796 12.3589 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 5.83596 4.3226 4.93785 11.3693 7.05653 7.77758 11.195 9.09234 6.8757 4.98436 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 5.83596 4.3226 4.93785 11.3693 7.05653 7.77758 4.76079 6.76746 5.71898 11.9796 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 5.83596 4.3226 4.93785 11.3693 7.05653 7.77758 6.38851 8.92098 5.83796 12.3589 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 6.289 7.72655 5.48258 10.7677 8.52969 7.11753 5.18485 7.10155 4.66791 7.41775 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 6.289 7.72655 5.48258 10.7677 8.52969 7.11753 3.86206 6.11135 5.97754 11.4789 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 6.24435 6.76977 6.05141 5.18265 8.09718 10.7081 11.7967 8.69525 5.27215 15.3328 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 6.24435 6.76977 6.05141 4.30687 6.73446 5.50308 11.7967 8.69525 5.27215 10.3346 numMergedOcc 0
52 mol 238 unq 2 iso 0 dist 6.24435 10.4548 8.09066 5.18265 8.09718 12.2874 11.7967 8.69525 6.13368 15.3328 numMergedOcc 0
53 mol 238 unq 3 iso 0 dist 6.24435 10.4548 8.09066 4.30687 6.73446 7.11984 11.7967 8.69525 6.13368 10.3346 numMergedOcc 0
54 mol 238 unq 4 iso 0 dist 6.24435 10.7712 7.2766 5.18265 8.09718 10.4017 11.7967 8.69525 10.0605 15.3328 numMergedOcc 0
55 mol 238 unq 5 iso 0 dist 6.24435 10.7712 7.2766 4.30687 6.73446 7.95232 11.7967 8.69525 10.0605 10.3346 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 11.7116 8.71497 8.81835 9.92544 8.84648 10.282 7.57379 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 9.53092 4.77548 7.48005 11.7116 8.71497 8.81835 12.9171 6.23661 10.067 4.47425 numMergedOcc 0
58 mol 259 unq 2 iso 0 dist 9.53092 12.7699 8.37865 11.7116 8.71497 8.75685 9.92544 8.84648 4.04513 7.57379 numMergedOcc 0
59 mol 259 unq 3 iso 0 dist 9.53092 12.7699 8.37865 11.7116 8.71497 8.75685 12.9171 6.23661 7.09907 4.47425 numMergedOcc 0
60 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 9.11162 6.8972 7.80785 10.9015 7.52924 4.57104 4.10152 numMergedOcc 0
61 mol 282 unq 1 iso 0 dist 9.20119 14.3567 7.32347 9.11162 6.8972 6.6348 10.9015 7.52924 5.29852 4.10152 numMergedOcc 0
62 mol 282 unq 2 iso 0 dist 9.20119 6.32603 8.3411 9.11162 6.8972 6.3458 10.9015 7.52924 5.80572 4.10152 numMergedOcc 0
63 mol 282 unq 3 iso 0 dist 8.96997 4.64783 6.85028 10.842 6.8972 7.80785 7.77671 7.52924 4.57104 4.10152 numMergedOcc 0
64 mol 282 unq 4 iso 0 dist 8.96997 10.0286 7.32347 10.842 6.8972 6.6348 7.77671 7.52924 5.29852 4.10152 numMergedOcc 0
65 mol 282 unq 5 iso 0 dist 8.96997 7.65702 8.3411 10.842 6.8972 6.3458 7.77671 7.52924 5.80572 4.10152 numMergedOcc 0
