0 mol 9 unq 0 iso 0 dist 5.8245 8.55451 3.58336 8.27962 9.71516 13.2602 8.57077 5.84314 8.69454 6.85412 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.8245 8.55451 3.58336 11.4878 9.81658 12.6418 8.57077 5.84314 8.69454 6.33889 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.21799 5.03251 3.43675 6.11922 9.14817 9.76686 9.78528 7.47371 9.67587 7.321 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.21799 7.66093 5.75711 6.11922 9.14817 9.437 9.78528 7.47371 7.07356 7.321 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 5.03251 6.21799 3.43675 6.11922 9.76686 9.14817 9.78528 9.67587 7.47371 7.321 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 5.03251 7.66093 5.26077 6.11922 9.76686 9.437 9.78528 9.67587 7.07356 7.321 numMergedOcc 0
6 mol 72 unq 4 iso 0 dist 7.66093 6.21799 5.75711 6.11922 9.437 9.14817 9.78528 7.07356 7.47371 7.321 numMergedOcc 0
7 mol 72 unq 5 iso 0 dist 7.66093 5.03251 5.26077 6.11922 9.437 9.76686 9.78528 7.07356 9.67587 7.321 numMergedOcc 0
8 mol 72 unq 6 iso 0 dist 9.55118 9.10345 9.20237 7.11552 5.4605 10.8476 10.8086 3.94376 10.1959 8.624 numMergedOcc 0
9 mol 72 unq 7 iso 0 dist 9.55118 9.10345 9.20237 7.11552 5.4605 10.8476 9.96708 5.69391 13.4212 6.77912 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 6.85523 5.77326 8.2592 4.92509 5.47706 8.07568 11.3054 4.77202 11.8801 8.30646 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.65848 7.25801 7.95975 5.22036 5.47706 8.89842 11.2771 4.77202 8.12982 8.30646 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 7.25801 8.65848 7.95975 5.22036 8.89842 5.47706 11.2771 8.12982 4.77202 8.30646 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 5.77326 6.85523 8.2592 4.92509 8.07568 5.47706 11.3054 11.8801 4.77202 8.30646 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.42082 7.69765 11.044 10.9739 8.0168 10.1174 5.83991 6.63111 4.48636 7.76729 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 7.36975 5.40637 10.1474 6.01455 7.05845 10.55 10.6877 7.63293 12.5839 7.31468 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.36975 5.40637 10.1474 6.01455 7.05845 10.55 12.7524 11.903 15.4973 7.7056 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.64173 9.01624 11.196 6.7991 9.09234 6.76746 7.81386 6.8757 5.71898 4.93785 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 6.64173 9.55105 10.1041 6.7991 9.09234 8.92098 7.81386 6.8757 5.83796 4.93785 numMergedOcc 0
19 mol 181 unq 2 iso 0 dist 9.01624 6.64173 11.196 6.7991 6.76746 9.09234 7.81386 5.71898 6.8757 4.93785 numMergedOcc 0
20 mol 181 unq 3 iso 0 dist 9.01624 9.55105 3.55187 6.7991 6.76746 8.92098 7.81386 5.71898 5.83796 4.93785 numMergedOcc 0
21 mol 181 unq 4 iso 0 dist 9.55105 6.64173 10.1041 6.7991 8.92098 9.09234 7.81386 5.83796 6.8757 4.93785 numMergedOcc 0
22 mol 181 unq 5 iso 0 dist 9.55105 9.01624 3.55187 6.7991 8.92098 6.76746 7.81386 5.83796 5.71898 4.93785 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 6.73504 9.90822 9.88527 6.47974 7.59939 10.9394 15.173 13.8904 13.0302 9.52936 numMergedOcc 0
24 mol 184 unq 1 iso 0 dist 6.73504 9.90822 9.88527 6.47974 7.59939 10.9394 13.8822 10.3179 11.6498 9.15417 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 9.10817 9.73548 16.8666 5.2908 9.27218 11.3514 11.6759 17.0276 16.158 8.99696 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.99888 9.07475 3.46869 5.54325 5.43613 8.82776 11.0896 12.7938 16.1799 7.49471 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.99888 9.07475 3.46869 5.54325 5.43613 8.82776 11.5794 11.0772 14.0512 7.19008 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.85442 6.95511 3.51848 5.79468 6.23661 9.43105 7.46176 10.067 11.6988 7.48005 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 5.85442 6.95511 3.51848 5.79468 6.23661 9.43105 11.858 7.09907 9.71793 8.37865 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 8.03219 6.9899 8.0048 5.31048 8.84648 6.23661 12.0576 10.282 10.067 7.48005 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 8.03219 6.9899 8.0048 5.31048 8.84648 6.23661 5.30224 4.04513 7.09907 8.37865 numMergedOcc 0
32 mol 259 unq 4 iso 0 dist 6.9899 8.03219 8.0048 5.31048 6.23661 8.84648 12.0576 10.067 10.282 7.48005 numMergedOcc 0
33 mol 259 unq 5 iso 0 dist 6.9899 8.03219 8.0048 5.31048 6.23661 8.84648 5.30224 7.09907 4.04513 8.37865 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 6.4611 9.30212 13.5848 5.31116 6.66172 12.703 10.7806 8.87855 12.393 9.19234 numMergedOcc 0
