0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 numMergedOcc 0
9 mol 72 unq 3 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 numMergedOcc 0
10 mol 72 unq 4 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 6.95773 6.24825 7.65255 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.90328 6.62561 4.91401 7.20875 8.84018 9.94053 numMergedOcc 0
15 mol 117 unq 1 iso 0 dist 7.83136 7.63616 4.91401 3.77029 8.84018 9.94053 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 4.91785 8.97626 7.29911 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 6.43582 7.36102 8.27726 4.91785 8.97626 5.36254 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 6.8757 6.64173 9.09234 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 5.83796 9.55105 8.92098 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 11.1534 7.46481 8.70987 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 4.58289 9.05018 5.0345 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 4.04513 8.03219 8.84648 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 numMergedOcc 0
