0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.87885 12.8323 7.92429 6.88805 5.99459 8.81608 12.8006 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 6.1206 7.12508 7.92429 13.156 9.67164 8.81608 12.8006 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 7.67927 11.143 11.2233 13.156 9.67164 8.81608 17.4215 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 10.0679 16.89 9.37102 13.1318 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 5.69391 13.6019 5.4605 10.6668 numMergedOcc 0
5 mol 72 unq 2 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 4.03844 12.4827 6.53824 10.9996 numMergedOcc 0
6 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 10.0679 10.7102 9.37102 13.1318 numMergedOcc 0
7 mol 72 unq 4 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 5.69391 9.55118 5.4605 10.6668 numMergedOcc 0
8 mol 72 unq 5 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 4.03844 12.111 6.53824 10.9996 numMergedOcc 0
9 mol 72 unq 6 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.47371 7.12321 9.14817 10.6668 numMergedOcc 0
10 mol 72 unq 7 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 9.67587 9.35457 9.76686 12.6707 numMergedOcc 0
11 mol 72 unq 8 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.07356 12.1131 9.437 13.7925 numMergedOcc 0
12 mol 72 unq 9 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.47371 7.12321 9.14817 13.9797 numMergedOcc 0
13 mol 72 unq 10 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 9.67587 9.35457 9.76686 14.9302 numMergedOcc 0
14 mol 72 unq 11 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.07356 12.1131 9.437 13.1216 numMergedOcc 0
15 mol 72 unq 12 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.47371 6.21799 9.14817 10.6668 numMergedOcc 0
16 mol 72 unq 13 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 9.67587 5.03251 9.76686 12.6707 numMergedOcc 0
17 mol 72 unq 14 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.07356 7.66093 9.437 13.7925 numMergedOcc 0
18 mol 72 unq 15 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 7.47371 6.21799 9.14817 13.9797 numMergedOcc 0
19 mol 72 unq 16 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 9.67587 5.03251 9.76686 14.9302 numMergedOcc 0
20 mol 72 unq 17 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 7.07356 7.66093 9.437 13.1216 numMergedOcc 0
21 mol 86 unq 0 iso 0 dist 9.5497 7.79359 9.68893 7.90423 6.98209 9.49725 5.9022 12.2025 5.88159 12.1672 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.07971 4.69373 5.15674 6.35679 14.6042 8.38791 12.0841 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 6.95773 6.24825 7.65255 7.65564 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 6.63111 6.39384 8.0168 7.65564 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 6.63111 9.42082 8.0168 7.65564 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 6.95773 10.0255 7.65255 7.65564 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 6.10127 6.57678 6.95589 7.20875 16.804 9.94053 12.9113 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 6.10127 10.5783 6.95589 7.20875 8.84018 9.94053 12.9113 numMergedOcc 0
29 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 3.77029 8.84018 9.94053 10.2505 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 4.1511 9.91384 7.79951 6.09335 numMergedOcc 0
31 mol 227 unq 1 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 14.6485 15.9467 9.8009 15.751 numMergedOcc 0
32 mol 227 unq 2 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 4.69247 9.91384 7.79951 6.09335 numMergedOcc 0
33 mol 227 unq 3 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 4.1511 10.3016 7.79951 6.09335 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 3.95629 11.1872 8.27411 11.2575 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 15.9732 20.7134 6.96257 15.8278 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 3.95629 11.1872 7.36208 11.2575 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 3.95629 10.5689 8.27411 11.2575 numMergedOcc 0
38 mol 234 unq 4 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 15.9732 19.3876 6.96257 15.8278 numMergedOcc 0
39 mol 234 unq 5 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 3.95629 10.5689 7.36208 11.2575 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 10.4966 9.7696 9.38131 15.1027 numMergedOcc 0
41 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 10.4966 9.7696 6.85253 15.1027 numMergedOcc 0
42 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 5.71717 10.1172 7.39547 4.66186 numMergedOcc 0
43 mol 238 unq 3 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 11.0772 9.08509 5.43613 9.51483 numMergedOcc 0
44 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 5.71717 10.1172 7.24334 4.66186 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 10.282 14.2242 8.84648 16.6762 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 9.63573 7.20604 9.98303 10.067 10.3406 6.23661 10.9441 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 10.282 14.2242 8.84648 17.7558 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 7.88519 7.48005 11.6195 7.66153 8.8603 14.0829 10.067 10.3406 6.23661 16.4118 numMergedOcc 0
49 mol 259 unq 4 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 10.282 16.7322 8.84648 16.6762 numMergedOcc 0
50 mol 259 unq 5 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 10.067 12.8546 6.23661 10.9441 numMergedOcc 0
51 mol 259 unq 6 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 10.282 16.7322 8.84648 17.7558 numMergedOcc 0
52 mol 259 unq 7 iso 0 dist 7.84554 7.48005 11.8736 7.66153 5.8801 14.0829 10.067 12.8546 6.23661 16.4118 numMergedOcc 0
53 mol 259 unq 8 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 10.282 11.7465 8.84648 16.6762 numMergedOcc 0
54 mol 259 unq 9 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 10.067 5.85442 6.23661 10.9441 numMergedOcc 0
55 mol 259 unq 10 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 10.282 11.7465 8.84648 17.7558 numMergedOcc 0
56 mol 259 unq 11 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 10.067 5.85442 6.23661 16.4118 numMergedOcc 0
57 mol 259 unq 12 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 10.282 19.0182 8.84648 16.6762 numMergedOcc 0
58 mol 259 unq 13 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 10.067 16.0301 6.23661 10.9441 numMergedOcc 0
59 mol 259 unq 14 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 10.282 19.0182 8.84648 17.7558 numMergedOcc 0
60 mol 259 unq 15 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 10.067 16.0301 6.23661 16.4118 numMergedOcc 0
