0 mol 1 unq 0 iso 0 dist 8.61411 5.65716 10.3064 4.36042 12.1303 8.26708 6.44928 11.5768 6.09918 5.92202 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.61411 5.65716 10.3064 6.44928 11.5768 6.09918 4.36042 12.1303 8.26708 5.92202 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.4424 9.44958 6.67016 11.3605 7.97656 5.78148 13.8587 11.8686 6.26071 5.94592 numMergedOcc 0
3 mol 13 unq 0 iso 1 dist 5.4424 9.44958 6.67016 13.8587 11.8686 6.26071 11.3605 7.97656 5.78148 5.94592 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 5.4424 9.44958 6.67016 11.3605 7.97656 5.78148 16.4369 14.9969 8.43325 10.8906 numMergedOcc 0
5 mol 13 unq 1 iso 1 dist 5.4424 9.44958 6.67016 16.4369 14.9969 8.43325 11.3605 7.97656 5.78148 10.8906 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 5.4424 9.44958 6.67016 13.8587 11.8686 6.26071 16.4369 14.9969 8.43325 5.43688 numMergedOcc 0
7 mol 13 unq 1 iso 1 dist 5.4424 9.44958 6.67016 16.4369 14.9969 8.43325 13.8587 11.8686 6.26071 5.43688 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 9.32989 6.15568 4.4816 4.18584 9.90203 6.06454 9.0702 12.3134 9.44459 5.24762 numMergedOcc 0
9 mol 45 unq 0 iso 1 dist 9.32989 6.15568 4.4816 9.0702 12.3134 9.44459 4.18584 9.90203 6.06454 5.24762 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.62629 8.42713 13.6486 17.674 23.2783 9.81831 15.232 22.0388 9.12858 6.30447 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 7.62629 8.42713 13.6486 15.232 22.0388 9.12858 17.674 23.2783 9.81831 6.30447 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.62629 8.42713 13.6486 17.674 23.2783 9.81831 12.5871 19.4908 9.4523 9.91939 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 7.62629 8.42713 13.6486 12.5871 19.4908 9.4523 17.674 23.2783 9.81831 9.91939 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 7.62629 8.42713 13.6486 15.232 22.0388 9.12858 12.5871 19.4908 9.4523 7.66728 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 7.62629 8.42713 13.6486 12.5871 19.4908 9.4523 15.232 22.0388 9.12858 7.66728 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.82034 6.4752 9.78167 8.95179 14.0332 5.49226 10.5583 13.5686 6.28351 7.15222 numMergedOcc 0
17 mol 147 unq 0 iso 1 dist 5.82034 6.4752 9.78167 10.5583 13.5686 6.28351 8.95179 14.0332 5.49226 7.15222 numMergedOcc 0
18 mol 148 unq 0 iso 0 dist 6.60739 5.06687 6.41267 5.59872 12.2042 9.02318 9.27313 14.5372 9.74542 6.83844 numMergedOcc 0
19 mol 148 unq 0 iso 1 dist 6.60739 5.06687 6.41267 9.27313 14.5372 9.74542 5.59872 12.2042 9.02318 6.83844 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 6.60739 5.06687 6.41267 5.59872 12.2042 9.02318 8.61198 13.5063 7.97543 7.26616 numMergedOcc 0
21 mol 148 unq 1 iso 1 dist 6.60739 5.06687 6.41267 8.61198 13.5063 7.97543 5.59872 12.2042 9.02318 7.26616 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 6.60739 5.06687 6.41267 9.27313 14.5372 9.74542 8.61198 13.5063 7.97543 8.72919 numMergedOcc 0
23 mol 148 unq 1 iso 1 dist 6.60739 5.06687 6.41267 8.61198 13.5063 7.97543 9.27313 14.5372 9.74542 8.72919 numMergedOcc 0
24 mol 148 unq 2 iso 0 dist 9.22427 5.06687 6.8578 5.59872 13.3693 9.02318 9.27313 16.0211 9.74542 6.83844 numMergedOcc 0
25 mol 148 unq 2 iso 1 dist 9.22427 5.06687 6.8578 9.27313 16.0211 9.74542 5.59872 13.3693 9.02318 6.83844 numMergedOcc 0
26 mol 148 unq 3 iso 0 dist 9.22427 5.06687 6.8578 5.59872 13.3693 9.02318 8.61198 10.69 7.97543 7.26616 numMergedOcc 0
27 mol 148 unq 3 iso 1 dist 9.22427 5.06687 6.8578 8.61198 10.69 7.97543 5.59872 13.3693 9.02318 7.26616 numMergedOcc 0
28 mol 148 unq 3 iso 0 dist 9.22427 5.06687 6.8578 9.27313 16.0211 9.74542 8.61198 10.69 7.97543 8.72919 numMergedOcc 0
29 mol 148 unq 3 iso 1 dist 9.22427 5.06687 6.8578 8.61198 10.69 7.97543 9.27313 16.0211 9.74542 8.72919 numMergedOcc 0
30 mol 148 unq 4 iso 0 dist 5.55129 5.06687 8.58803 5.59872 9.64457 9.02318 9.27313 12.1607 9.74542 6.83844 numMergedOcc 0
31 mol 148 unq 4 iso 1 dist 5.55129 5.06687 8.58803 9.27313 12.1607 9.74542 5.59872 9.64457 9.02318 6.83844 numMergedOcc 0
32 mol 148 unq 5 iso 0 dist 5.55129 5.06687 8.58803 5.59872 9.64457 9.02318 8.61198 14.0403 7.97543 7.26616 numMergedOcc 0
33 mol 148 unq 5 iso 1 dist 5.55129 5.06687 8.58803 8.61198 14.0403 7.97543 5.59872 9.64457 9.02318 7.26616 numMergedOcc 0
34 mol 148 unq 5 iso 0 dist 5.55129 5.06687 8.58803 9.27313 12.1607 9.74542 8.61198 14.0403 7.97543 8.72919 numMergedOcc 0
35 mol 148 unq 5 iso 1 dist 5.55129 5.06687 8.58803 8.61198 14.0403 7.97543 9.27313 12.1607 9.74542 8.72919 numMergedOcc 0
36 mol 150 unq 0 iso 0 dist 6.71763 5.09809 6.48054 9.25213 14.5362 9.6606 8.68422 13.5458 7.85526 8.77324 numMergedOcc 0
37 mol 150 unq 0 iso 1 dist 6.71763 5.09809 6.48054 8.68422 13.5458 7.85526 9.25213 14.5362 9.6606 8.77324 numMergedOcc 0
38 mol 150 unq 1 iso 0 dist 6.71763 5.09809 6.48054 9.25213 14.5362 9.6606 5.56996 12.2868 8.94552 6.98865 numMergedOcc 0
39 mol 150 unq 1 iso 1 dist 6.71763 5.09809 6.48054 5.56996 12.2868 8.94552 9.25213 14.5362 9.6606 6.98865 numMergedOcc 0
40 mol 150 unq 1 iso 0 dist 6.71763 5.09809 6.48054 8.68422 13.5458 7.85526 5.56996 12.2868 8.94552 7.24908 numMergedOcc 0
41 mol 150 unq 1 iso 1 dist 6.71763 5.09809 6.48054 5.56996 12.2868 8.94552 8.68422 13.5458 7.85526 7.24908 numMergedOcc 0
42 mol 150 unq 2 iso 0 dist 9.32504 5.09809 6.83178 9.25213 15.9858 9.6606 8.68422 10.6513 7.85526 8.77324 numMergedOcc 0
43 mol 150 unq 2 iso 1 dist 9.32504 5.09809 6.83178 8.68422 10.6513 7.85526 9.25213 15.9858 9.6606 8.77324 numMergedOcc 0
44 mol 150 unq 3 iso 0 dist 9.32504 5.09809 6.83178 9.25213 15.9858 9.6606 5.56996 13.3207 8.94552 6.98865 numMergedOcc 0
45 mol 150 unq 3 iso 1 dist 9.32504 5.09809 6.83178 5.56996 13.3207 8.94552 9.25213 15.9858 9.6606 6.98865 numMergedOcc 0
46 mol 150 unq 3 iso 0 dist 9.32504 5.09809 6.83178 8.68422 10.6513 7.85526 5.56996 13.3207 8.94552 7.24908 numMergedOcc 0
47 mol 150 unq 3 iso 1 dist 9.32504 5.09809 6.83178 5.56996 13.3207 8.94552 8.68422 10.6513 7.85526 7.24908 numMergedOcc 0
48 mol 150 unq 4 iso 0 dist 5.53778 5.09809 8.52718 9.25213 12.148 9.6606 8.68422 14.0778 7.85526 8.77324 numMergedOcc 0
49 mol 150 unq 4 iso 1 dist 5.53778 5.09809 8.52718 8.68422 14.0778 7.85526 9.25213 12.148 9.6606 8.77324 numMergedOcc 0
50 mol 150 unq 5 iso 0 dist 5.53778 5.09809 8.52718 9.25213 12.148 9.6606 5.56996 9.80731 8.94552 6.98865 numMergedOcc 0
51 mol 150 unq 5 iso 1 dist 5.53778 5.09809 8.52718 5.56996 9.80731 8.94552 9.25213 12.148 9.6606 6.98865 numMergedOcc 0
52 mol 150 unq 5 iso 0 dist 5.53778 5.09809 8.52718 8.68422 14.0778 7.85526 5.56996 9.80731 8.94552 7.24908 numMergedOcc 0
53 mol 150 unq 5 iso 1 dist 5.53778 5.09809 8.52718 5.56996 9.80731 8.94552 8.68422 14.0778 7.85526 7.24908 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 6.71398 9.77502 6.09244 13.1002 9.71281 6.39158 6.64857 9.2433 7.75722 12.1984 numMergedOcc 0
55 mol 235 unq 0 iso 1 dist 6.71398 9.77502 6.09244 6.64857 9.2433 7.75722 13.1002 9.71281 6.39158 12.1984 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 8.63848 9.81593 13.368 8.32163 10.0093 8.47784 10.6815 18.2688 8.66469 13.2361 numMergedOcc 0
57 mol 252 unq 0 iso 1 dist 8.63848 9.81593 13.368 10.6815 18.2688 8.66469 8.32163 10.0093 8.47784 13.2361 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 9.8799 8.28871 14.6311 11.5671 15.9893 6.04162 13.8765 17.8973 6.14323 4.92077 numMergedOcc 0
59 mol 264 unq 0 iso 1 dist 9.8799 8.28871 14.6311 13.8765 17.8973 6.14323 11.5671 15.9893 6.04162 4.92077 numMergedOcc 0
