0 mol 20 unq 0 iso 0 dist 6.4074 12.3432 9.78224 5.31696 8.19319 11.0737 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.4074 5.33316 7.57379 5.31696 8.19319 4.99944 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.29578 9.76503 9.33568 5.86076 6.29237 13.7733 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.29578 9.76503 9.33568 8.72513 9.24286 17.2226 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.70349 5.41473 9.43824 5.03904 7.21175 9.84503 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.82824 5.93093 6.00779 7.34653 8.31317 4.19129 numMergedOcc 0
6 mol 146 unq 0 iso 0 dist 9.58114 7.81225 8.55536 8.19476 6.97799 8.01939 numMergedOcc 0
7 mol 146 unq 1 iso 0 dist 8.65809 4.97245 8.55536 9.97498 6.97799 8.01939 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 7.26706 9.99486 5.5343 5.94706 7.26931 7.15012 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 5.97267 9.99486 8.8252 5.94706 9.44911 7.15012 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 8.80739 16.1948 8.8252 13.712 9.44911 7.15012 numMergedOcc 0
11 mol 219 unq 0 iso 0 dist 9.72263 12.4335 6.65093 9.45086 6.44817 5.05436 numMergedOcc 0
12 mol 219 unq 1 iso 0 dist 9.72263 12.4335 6.65093 9.24289 9.36547 15.414 numMergedOcc 0
13 mol 219 unq 2 iso 0 dist 9.72263 13.4956 9.93514 9.45086 6.44817 15.7107 numMergedOcc 0
14 mol 219 unq 3 iso 0 dist 9.72263 13.4956 9.93514 9.24289 9.36547 5.01588 numMergedOcc 0
15 mol 219 unq 4 iso 0 dist 9.65487 12.6746 6.65093 8.10855 6.44817 5.05436 numMergedOcc 0
16 mol 219 unq 5 iso 0 dist 9.65487 12.6746 6.65093 11.1295 9.36547 15.414 numMergedOcc 0
17 mol 219 unq 6 iso 0 dist 9.65487 13.8617 9.93514 8.10855 6.44817 15.7107 numMergedOcc 0
18 mol 219 unq 7 iso 0 dist 9.65487 13.8617 9.93514 11.1295 9.36547 5.01588 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 5.82844 5.01153 6.54801 7.5737 8.34954 10.6892 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 5.82844 5.01153 6.54801 4.39666 9.27328 8.19789 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.55105 6.72716 6.71734 3.73109 8.44521 3.80345 numMergedOcc 0
22 mol 247 unq 0 iso 0 dist 9.90771 13.2112 6.50869 9.53019 6.93227 4.62426 numMergedOcc 0
23 mol 247 unq 1 iso 0 dist 9.90771 7.25767 9.54682 9.53019 6.93227 5.5164 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 7.06369 4.91258 8.45077 9.68392 5.087 12.7475 numMergedOcc 0
