0 mol 1 unq 0 iso 0 dist 5.65716 6.15359 9.60596 4.36042 8.26708 9.01148 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 6.15359 9.60596 6.44928 6.09918 12.4943 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.77074 14.7962 8.69493 17.4675 9.27637 11.3237 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 8.77074 15.5258 7.02963 17.4675 9.27637 6.32857 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.03812 14.5957 8.6578 11.0744 7.52117 6.07691 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.53468 5.48316 9.23537 14.2026 8.03303 15.1847 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.90954 8.01468 9.23537 9.27925 8.03303 15.1847 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 5.33314 6.87651 7.5344 11.1522 8.86329 8.25445 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 5.33314 6.87651 7.5344 11.4573 8.71039 11.8349 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.0733 5.80658 4.7699 4.58263 8.56003 7.50998 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 5.06687 5.13979 5.29515 5.59872 9.02318 7.12546 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 5.06687 5.13979 5.29515 9.27313 9.74542 10.7866 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 5.06687 5.13979 5.29515 8.61198 7.97543 5.2593 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 5.09809 5.23046 5.16917 9.25213 9.6606 10.734 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 5.09809 5.23046 5.16917 8.68422 7.85526 5.1918 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 5.09809 5.23046 5.16917 5.56996 8.94552 7.02896 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.08628 6.57343 5.32236 4.358 8.0154 5.96451 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 8.35581 4.85698 5.32236 9.63193 8.0154 5.96451 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 6.72569 5.60933 5.32236 8.97821 8.0154 5.96451 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.47107 12.2364 9.13708 10.2633 6.26839 5.03763 numMergedOcc 0
20 mol 194 unq 1 iso 0 dist 7.47107 12.2364 9.13708 9.36943 8.12346 12.8318 numMergedOcc 0
21 mol 194 unq 2 iso 0 dist 7.47107 12.2364 9.13708 7.72655 8.83356 16.5287 numMergedOcc 0
22 mol 194 unq 3 iso 0 dist 7.47107 12.2364 9.13708 4.57265 8.2654 11.4735 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 9.6309 5.61487 9.71415 9.24732 8.86175 13.4459 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 9.6309 5.61487 9.71415 10.8948 6.29511 13.3081 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 8.12518 6.07494 5.05201 12.3465 8.38865 9.08827 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 8.12518 6.07494 5.05201 7.2593 5.4694 5.70988 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.77502 12.2389 7.22411 13.1002 6.39158 10.6339 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.77502 12.2389 7.22411 6.64857 7.75722 6.25956 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 8.36282 5.50225 6.49719 9.49608 9.64269 11.8274 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 8.36282 5.50225 6.49719 5.87695 6.88809 5.81271 numMergedOcc 0
31 mol 272 unq 2 iso 0 dist 8.36282 5.50225 6.49719 12.8166 8.46061 11.2831 numMergedOcc 0
32 mol 272 unq 3 iso 0 dist 8.36282 9.7581 5.7564 9.49608 9.64269 11.082 numMergedOcc 0
33 mol 272 unq 4 iso 0 dist 8.36282 9.7581 5.7564 5.87695 6.88809 5.82123 numMergedOcc 0
34 mol 272 unq 5 iso 0 dist 8.36282 9.7581 5.7564 12.8166 8.46061 6.72149 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 5.63154 13.0129 7.92537 5.15837 8.29305 13.9298 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 5.63154 13.0129 7.92537 8.33297 6.43341 9.73122 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 9.2542 14.9507 8.11918 11.198 7.91611 5.25596 numMergedOcc 0
