0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 8.69454 8.55451 13.2602 5.84314 5.8245 9.71516 3.58336 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 5.84314 5.8245 9.81658 3.58336 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.1274 9.33906 13.126 12.466 12.457 5.81001 16.6043 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 6.20618 8.41778 7.60018 3.6461 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 6.20618 9.97819 7.60018 3.6461 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 10.0679 10.7102 9.37102 5.17981 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 4.03844 12.111 6.53824 4.85556 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 10.0679 10.7102 9.37102 5.56281 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 5.69391 9.55118 5.4605 9.20237 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 4.03844 12.111 6.53824 13.9899 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 9.67587 9.35457 9.76686 3.43675 numMergedOcc 0
11 mol 72 unq 6 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 7.07356 12.1131 9.437 5.75711 numMergedOcc 0
12 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 9.67587 5.03251 9.76686 3.43675 numMergedOcc 0
13 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 7.07356 7.66093 9.437 5.75711 numMergedOcc 0
14 mol 72 unq 9 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 7.47371 6.21799 9.14817 3.43675 numMergedOcc 0
15 mol 72 unq 10 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 7.07356 7.66093 9.437 5.26077 numMergedOcc 0
16 mol 72 unq 11 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 7.47371 6.21799 9.14817 5.75711 numMergedOcc 0
17 mol 72 unq 12 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 9.67587 5.03251 9.76686 5.26077 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.00433 8.52024 9.74008 6.35679 14.6042 8.38791 8.76863 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.83991 7.76729 10.9739 4.48636 7.69765 10.1174 6.63111 9.42082 8.0168 11.044 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 6.9194 12.31 6.55202 12.7135 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 12.4621 11.2897 6.55202 12.7135 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 4.97996 6.93139 10.1252 7.52422 13.7122 8.9677 10.152 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 14.8533 20.9604 9.10003 25.2135 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 6.8757 6.64173 9.09234 5.71898 9.01624 6.76746 11.196 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 6.8757 6.64173 9.09234 5.83796 9.55105 8.92098 10.1041 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 6.8757 6.64173 9.09234 11.196 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 5.83796 9.55105 8.92098 3.55187 numMergedOcc 0
28 mol 181 unq 4 iso 0 dist 7.81386 4.93785 6.7991 5.83796 9.55105 8.92098 6.8757 6.64173 9.09234 10.1041 numMergedOcc 0
29 mol 181 unq 5 iso 0 dist 7.81386 4.93785 6.7991 5.83796 9.55105 8.92098 5.71898 9.01624 6.76746 3.55187 numMergedOcc 0
30 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 8.82964 9.56028 13.9393 4.88992 13.5224 5.73635 12.9815 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 6.82305 10.1172 7.24334 11.1752 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 11.0772 9.08509 14.4363 10.4966 9.7696 9.38131 8.33582 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 10.4966 9.7696 6.85253 8.33582 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 5.71717 10.1172 7.39547 11.1752 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 5.71717 10.1172 7.24334 11.1752 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 11.6988 9.46361 9.43105 10.282 14.2242 8.84648 10.1712 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 11.6988 9.46361 9.43105 10.067 10.3406 6.23661 3.51848 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 10.282 11.7465 8.84648 8.0048 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 7.46176 7.48005 5.79468 11.6988 6.95511 9.43105 10.282 11.7465 8.84648 10.1712 numMergedOcc 0
40 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 11.6988 6.95511 9.43105 10.067 5.85442 6.23661 3.51848 numMergedOcc 0
41 mol 259 unq 5 iso 0 dist 5.30224 8.37865 5.31048 4.04513 8.03219 8.84648 7.09907 6.9899 6.23661 8.0048 numMergedOcc 0
42 mol 259 unq 6 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 4.04513 8.03219 8.84648 8.0048 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 5.41667 11.4951 6.95241 9.5745 numMergedOcc 0
