0 mol 1 unq 0 iso 0 dist 5.65716 6.15359 9.60596 4.36042 8.26708 9.01148 6.44928 6.09918 12.4943 5.92202 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 5.65716 6.15359 9.60596 6.44928 6.09918 12.4943 4.36042 8.26708 9.01148 5.92202 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 5.33314 6.87651 7.5344 11.1522 8.86329 8.25445 11.4573 8.71039 11.8349 5.55373 numMergedOcc 0
3 mol 131 unq 0 iso 1 dist 5.33314 6.87651 7.5344 11.4573 8.71039 11.8349 11.1522 8.86329 8.25445 5.55373 numMergedOcc 0
4 mol 148 unq 0 iso 0 dist 5.06687 5.13979 5.29515 5.59872 9.02318 7.12546 9.27313 9.74542 10.7866 6.83844 numMergedOcc 0
5 mol 148 unq 0 iso 1 dist 5.06687 5.13979 5.29515 9.27313 9.74542 10.7866 5.59872 9.02318 7.12546 6.83844 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 5.06687 5.13979 5.29515 5.59872 9.02318 7.12546 8.61198 7.97543 5.2593 7.26616 numMergedOcc 0
7 mol 148 unq 1 iso 1 dist 5.06687 5.13979 5.29515 8.61198 7.97543 5.2593 5.59872 9.02318 7.12546 7.26616 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 5.06687 5.13979 5.29515 9.27313 9.74542 10.7866 8.61198 7.97543 5.2593 8.72919 numMergedOcc 0
9 mol 148 unq 1 iso 1 dist 5.06687 5.13979 5.29515 8.61198 7.97543 5.2593 9.27313 9.74542 10.7866 8.72919 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 5.09809 5.23046 5.16917 9.25213 9.6606 10.734 8.68422 7.85526 5.1918 8.77324 numMergedOcc 0
11 mol 150 unq 0 iso 1 dist 5.09809 5.23046 5.16917 8.68422 7.85526 5.1918 9.25213 9.6606 10.734 8.77324 numMergedOcc 0
12 mol 150 unq 1 iso 0 dist 5.09809 5.23046 5.16917 9.25213 9.6606 10.734 5.56996 8.94552 7.02896 6.98865 numMergedOcc 0
13 mol 150 unq 1 iso 1 dist 5.09809 5.23046 5.16917 5.56996 8.94552 7.02896 9.25213 9.6606 10.734 6.98865 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 5.09809 5.23046 5.16917 8.68422 7.85526 5.1918 5.56996 8.94552 7.02896 7.24908 numMergedOcc 0
15 mol 150 unq 1 iso 1 dist 5.09809 5.23046 5.16917 5.56996 8.94552 7.02896 8.68422 7.85526 5.1918 7.24908 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.47107 12.2364 9.13708 10.2633 6.26839 5.03763 9.36943 8.12346 12.8318 8.0179 numMergedOcc 0
17 mol 194 unq 0 iso 1 dist 7.47107 12.2364 9.13708 9.36943 8.12346 12.8318 10.2633 6.26839 5.03763 8.0179 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.47107 12.2364 9.13708 10.2633 6.26839 5.03763 7.72655 8.83356 16.5287 14.6506 numMergedOcc 0
19 mol 194 unq 1 iso 1 dist 7.47107 12.2364 9.13708 7.72655 8.83356 16.5287 10.2633 6.26839 5.03763 14.6506 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 7.47107 12.2364 9.13708 10.2633 6.26839 5.03763 4.57265 8.2654 11.4735 8.48054 numMergedOcc 0
21 mol 194 unq 2 iso 1 dist 7.47107 12.2364 9.13708 4.57265 8.2654 11.4735 10.2633 6.26839 5.03763 8.48054 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 7.47107 12.2364 9.13708 9.36943 8.12346 12.8318 7.72655 8.83356 16.5287 13.5632 numMergedOcc 0
23 mol 194 unq 1 iso 1 dist 7.47107 12.2364 9.13708 7.72655 8.83356 16.5287 9.36943 8.12346 12.8318 13.5632 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 7.47107 12.2364 9.13708 9.36943 8.12346 12.8318 4.57265 8.2654 11.4735 6.26298 numMergedOcc 0
25 mol 194 unq 2 iso 1 dist 7.47107 12.2364 9.13708 4.57265 8.2654 11.4735 9.36943 8.12346 12.8318 6.26298 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 7.47107 12.2364 9.13708 7.72655 8.83356 16.5287 4.57265 8.2654 11.4735 11.6097 numMergedOcc 0
27 mol 194 unq 2 iso 1 dist 7.47107 12.2364 9.13708 4.57265 8.2654 11.4735 7.72655 8.83356 16.5287 11.6097 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 9.6309 5.61487 9.71415 9.24732 8.86175 13.4459 10.8948 6.29511 13.3081 4.72474 numMergedOcc 0
29 mol 218 unq 0 iso 1 dist 9.6309 5.61487 9.71415 10.8948 6.29511 13.3081 9.24732 8.86175 13.4459 4.72474 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 8.12518 6.07494 5.05201 12.3465 8.38865 9.08827 7.2593 5.4694 5.70988 5.22356 numMergedOcc 0
31 mol 227 unq 0 iso 1 dist 8.12518 6.07494 5.05201 7.2593 5.4694 5.70988 12.3465 8.38865 9.08827 5.22356 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 9.77502 12.2389 7.22411 13.1002 6.39158 10.6339 6.64857 7.75722 6.25956 12.1984 numMergedOcc 0
33 mol 235 unq 0 iso 1 dist 9.77502 12.2389 7.22411 6.64857 7.75722 6.25956 13.1002 6.39158 10.6339 12.1984 numMergedOcc 0
34 mol 272 unq 0 iso 0 dist 8.36282 5.50225 6.49719 9.49608 9.64269 11.8274 5.87695 6.88809 5.81271 6.6954 numMergedOcc 0
35 mol 272 unq 0 iso 1 dist 8.36282 5.50225 6.49719 5.87695 6.88809 5.81271 9.49608 9.64269 11.8274 6.6954 numMergedOcc 0
36 mol 272 unq 1 iso 0 dist 8.36282 5.50225 6.49719 9.49608 9.64269 11.8274 12.8166 8.46061 11.2831 8.12676 numMergedOcc 0
37 mol 272 unq 1 iso 1 dist 8.36282 5.50225 6.49719 12.8166 8.46061 11.2831 9.49608 9.64269 11.8274 8.12676 numMergedOcc 0
38 mol 272 unq 1 iso 0 dist 8.36282 5.50225 6.49719 5.87695 6.88809 5.81271 12.8166 8.46061 11.2831 7.34222 numMergedOcc 0
39 mol 272 unq 1 iso 1 dist 8.36282 5.50225 6.49719 12.8166 8.46061 11.2831 5.87695 6.88809 5.81271 7.34222 numMergedOcc 0
40 mol 272 unq 2 iso 0 dist 8.36282 9.7581 5.7564 9.49608 9.64269 11.082 5.87695 6.88809 5.82123 6.6954 numMergedOcc 0
41 mol 272 unq 2 iso 1 dist 8.36282 9.7581 5.7564 5.87695 6.88809 5.82123 9.49608 9.64269 11.082 6.6954 numMergedOcc 0
42 mol 272 unq 3 iso 0 dist 8.36282 9.7581 5.7564 9.49608 9.64269 11.082 12.8166 8.46061 6.72149 8.12676 numMergedOcc 0
43 mol 272 unq 3 iso 1 dist 8.36282 9.7581 5.7564 12.8166 8.46061 6.72149 9.49608 9.64269 11.082 8.12676 numMergedOcc 0
44 mol 272 unq 3 iso 0 dist 8.36282 9.7581 5.7564 5.87695 6.88809 5.82123 12.8166 8.46061 6.72149 7.34222 numMergedOcc 0
45 mol 272 unq 3 iso 1 dist 8.36282 9.7581 5.7564 12.8166 8.46061 6.72149 5.87695 6.88809 5.82123 7.34222 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 5.63154 13.0129 7.92537 5.15837 8.29305 13.9298 8.33297 6.43341 9.73122 6.67478 numMergedOcc 0
47 mol 279 unq 0 iso 1 dist 5.63154 13.0129 7.92537 8.33297 6.43341 9.73122 5.15837 8.29305 13.9298 6.67478 numMergedOcc 0
