0 mol 9 unq 0 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 8.27962 6.85412 13.2602 9.71516 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 8.27962 6.85412 9.71516 13.2602 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 11.4878 6.33889 12.6418 9.81658 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 11.4878 6.33889 9.81658 12.6418 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.35756 8.96727 9.87158 8.01308 5.86526 6.20884 7.05413 9.58673 15.7229 12.8612 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.35756 8.01308 5.86526 8.96727 9.87158 6.20884 7.05413 9.58673 12.8612 15.7229 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 9.10345 13.4212 9.20237 7.11552 6.77912 5.4605 10.8476 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.96708 9.10345 13.4212 9.55118 5.69391 9.20237 7.11552 6.77912 10.8476 5.4605 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 6.11922 7.321 9.14817 9.76686 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 6.11922 7.321 9.76686 9.14817 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 6.11922 7.321 9.14817 9.437 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 9.78528 7.66093 7.07356 6.21799 7.47371 5.75711 6.11922 7.321 9.437 9.14817 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 6.11922 7.321 9.76686 9.437 numMergedOcc 0
13 mol 72 unq 2 iso 1 dist 9.78528 7.66093 7.07356 5.03251 9.67587 5.26077 6.11922 7.321 9.437 9.76686 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 11.6894 9.02278 16.0371 18.3118 numMergedOcc 0
15 mol 72 unq 3 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 11.6894 9.02278 18.3118 16.0371 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 7.82475 5.9143 5.35782 5.47563 3.5565 15.209 7.75343 11.3652 12.1809 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 7.47343 5.35782 5.47563 7.82475 5.9143 3.5565 15.209 7.75343 12.1809 11.3652 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.83991 7.69765 4.48636 9.42082 6.63111 11.044 10.9739 7.76729 10.1174 8.0168 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 5.83991 9.42082 6.63111 7.69765 4.48636 11.044 10.9739 7.76729 8.0168 10.1174 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 7.88312 7.69765 11.835 9.42082 6.07067 11.044 11.7126 6.99777 16.7897 12.9982 numMergedOcc 0
21 mol 115 unq 1 iso 1 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 11.7126 6.99777 12.9982 16.7897 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 7.88312 7.69765 11.835 9.42082 6.07067 11.044 4.62962 9.14376 12.0921 10.7985 numMergedOcc 0
23 mol 115 unq 2 iso 1 dist 7.88312 9.42082 6.07067 7.69765 11.835 11.044 4.62962 9.14376 10.7985 12.0921 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.86662 9.1998 12.8086 8.69531 7.41373 5.83782 6.17103 8.79571 14.0978 11.7151 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 9.86662 8.69531 7.41373 9.1998 12.8086 5.83782 6.17103 8.79571 11.7151 14.0978 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.71307 9.1998 15.0225 8.69531 10.8635 5.83782 6.17103 5.42582 14.0978 11.7151 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 9.71307 8.69531 10.8635 9.1998 15.0225 5.83782 6.17103 5.42582 11.7151 14.0978 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 8.9192 4.84714 3.55572 5.99333 9.13561 10.5081 12.0501 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 8.56324 8.9192 4.84714 6.59889 5.39112 3.55572 5.99333 9.13561 12.0501 10.5081 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 9.01624 5.71898 11.196 6.7991 4.93785 9.09234 6.76746 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 6.7991 4.93785 6.76746 9.09234 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 7.81386 6.64173 6.8757 9.55105 5.83796 10.1041 6.7991 4.93785 9.09234 8.92098 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 6.64173 6.8757 10.1041 6.7991 4.93785 8.92098 9.09234 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 9.55105 5.83796 3.55187 6.7991 4.93785 6.76746 8.92098 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 9.01624 5.71898 3.55187 6.7991 4.93785 8.92098 6.76746 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 7.63312 6.64173 10.6474 9.01624 5.93724 11.196 4.80231 6.93764 10.9785 10.1634 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 4.80231 6.93764 10.1634 10.9785 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.63312 6.64173 10.6474 9.55105 5.12833 10.1041 4.80231 6.93764 10.9785 10.9567 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 4.80231 6.93764 10.9567 10.9785 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 4.80231 6.93764 10.1634 10.9567 numMergedOcc 0
41 mol 181 unq 3 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 4.80231 6.93764 10.9567 10.1634 numMergedOcc 0
42 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.48954 9.53117 3.58181 12.2813 6.82208 11.8745 12.9858 numMergedOcc 0
43 mol 222 unq 0 iso 1 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 12.2813 6.82208 12.9858 11.8745 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 7.54212 6.74196 12.8595 8.36842 12.5866 8.10209 7.61682 7.18956 14.2305 14.562 numMergedOcc 0
45 mol 222 unq 1 iso 1 dist 7.54212 8.36842 12.5866 6.74196 12.8595 8.10209 7.61682 7.18956 14.562 14.2305 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 7.54212 6.74196 12.8595 9.75472 11.9567 9.49218 7.61682 7.18956 14.2305 15.6152 numMergedOcc 0
47 mol 222 unq 2 iso 1 dist 7.54212 9.75472 11.9567 6.74196 12.8595 9.49218 7.61682 7.18956 15.6152 14.2305 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 7.54212 8.36842 12.5866 9.75472 11.9567 3.53707 7.61682 7.18956 14.562 15.6152 numMergedOcc 0
49 mol 222 unq 2 iso 1 dist 7.54212 9.75472 11.9567 8.36842 12.5866 3.53707 7.61682 7.18956 15.6152 14.562 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 7.46176 5.85442 10.067 6.95511 11.6988 3.51848 5.79468 7.48005 6.23661 9.43105 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 7.46176 6.95511 11.6988 5.85442 10.067 3.51848 5.79468 7.48005 9.43105 6.23661 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 6.9899 7.09907 8.0048 5.31048 8.37865 8.84648 6.23661 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 5.30224 6.9899 7.09907 8.03219 4.04513 8.0048 5.31048 8.37865 6.23661 8.84648 numMergedOcc 0
