0 mol 20 unq 0 iso 0 dist 8.98326 9.00405 4.36087 7.86889 7.09639 3.39356 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 8.98326 7.86889 7.09639 9.00405 4.36087 3.39356 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 4.29713 7.22338 7.31718 5.36021 5.47447 8.32323 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 4.29713 5.36021 5.47447 7.22338 7.31718 8.32323 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.09085 11.023 5.64092 8.24064 8.71074 12.8321 numMergedOcc 0
5 mol 68 unq 0 iso 1 dist 6.09085 8.24064 8.71074 11.023 5.64092 12.8321 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.49235 7.76629 6.67678 8.52218 7.24956 2.81832 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 7.49235 8.52218 7.24956 7.76629 6.67678 2.81832 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.49235 7.76629 6.67678 3.83191 8.28591 10.7776 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 7.49235 3.83191 8.28591 7.76629 6.67678 10.7776 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 7.49235 7.76629 6.67678 3.77555 9.40687 10.4844 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 7.49235 3.77555 9.40687 7.76629 6.67678 10.4844 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 7.49235 8.52218 7.24956 3.83191 8.28591 11.7564 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 7.49235 3.83191 8.28591 8.52218 7.24956 11.7564 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 7.49235 8.52218 7.24956 3.77555 9.40687 10.3262 numMergedOcc 0
15 mol 93 unq 2 iso 1 dist 7.49235 3.77555 9.40687 8.52218 7.24956 10.3262 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.49235 3.83191 8.28591 3.77555 9.40687 5.02964 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 7.49235 3.77555 9.40687 3.83191 8.28591 5.02964 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 7.19431 3.83191 5.35008 3.77555 8.84576 5.02964 numMergedOcc 0
19 mol 93 unq 3 iso 1 dist 7.19431 3.77555 8.84576 3.83191 5.35008 5.02964 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 5.32773 3.71942 4.30875 9.01611 8.65807 9.78508 numMergedOcc 0
21 mol 113 unq 0 iso 1 dist 5.32773 9.01611 8.65807 3.71942 4.30875 9.78508 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 5.30818 3.61063 4.11374 8.83987 8.37602 9.48187 numMergedOcc 0
23 mol 169 unq 0 iso 1 dist 5.30818 8.83987 8.37602 3.61063 4.11374 9.48187 numMergedOcc 0
24 mol 169 unq 1 iso 0 dist 8.89822 12.9917 4.11374 12.2955 8.37602 9.48187 numMergedOcc 0
25 mol 169 unq 1 iso 1 dist 8.89822 12.2955 8.37602 12.9917 4.11374 9.48187 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.00537 16.5552 9.17458 14.3824 7.36794 3.09727 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 9.00537 14.3824 7.36794 16.5552 9.17458 3.09727 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 8.9388 9.09753 9.17458 6.7472 7.36794 3.09727 numMergedOcc 0
29 mol 186 unq 1 iso 1 dist 8.9388 6.7472 7.36794 9.09753 9.17458 3.09727 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 6.51936 10.816 7.33774 4.27546 6.39122 8.59834 numMergedOcc 0
31 mol 204 unq 0 iso 1 dist 6.51936 4.27546 6.39122 10.816 7.33774 8.59834 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.28826 12.7192 8.49349 4.26898 6.50654 10.5332 numMergedOcc 0
33 mol 214 unq 0 iso 1 dist 6.28826 4.26898 6.50654 12.7192 8.49349 10.5332 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 7.95045 3.58934 7.62991 14.1621 9.81261 14.7288 numMergedOcc 0
35 mol 252 unq 0 iso 1 dist 7.95045 14.1621 9.81261 3.58934 7.62991 14.7288 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 8.34673 5.92823 7.72861 13.0591 8.20376 11.938 numMergedOcc 0
37 mol 266 unq 0 iso 1 dist 8.34673 13.0591 8.20376 5.92823 7.72861 11.938 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 7.12723 8.32005 4.27826 7.07384 5.82074 4.87372 numMergedOcc 0
39 mol 285 unq 0 iso 1 dist 7.12723 7.07384 5.82074 8.32005 4.27826 4.87372 numMergedOcc 0
