0 mol 0 unq 0 iso 0 dist 8.9753 10.4086 9.00092 13.4578 6.82542 9.38507 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.35401 10.3745 7.60512 11.9034 4.76781 5.59658 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.35401 10.3745 7.60512 9.7728 3.17053 7.94376 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.78903 11.2286 5.78532 10.5534 3.33439 5.9372 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.78903 11.2286 5.78532 13.1491 3.64811 8.17583 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.78903 13.8528 8.49709 19.1827 10.8745 7.03544 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.78903 13.8528 8.49709 10.5534 3.33439 6.93597 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.80869 3.98831 9.54323 11.3844 7.63211 9.09425 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 9.1791 4.7391 7.58739 9.49636 8.98585 6.41008 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.86485 4.7391 9.01564 9.49636 10.5853 6.41008 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.37546 4.7391 7.11065 9.49636 5.11422 6.41008 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 8.26586 4.35705 7.58739 10.638 8.98585 6.41008 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 9.76234 4.35705 9.01564 10.638 10.5853 6.41008 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 8.52697 12.6241 9.77084 18.0463 11.5615 7.56495 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 8.52697 12.6241 9.77084 16.7534 10.6375 7.63923 numMergedOcc 0
15 mol 79 unq 2 iso 0 dist 8.52697 12.6241 9.77084 12.7824 5.57609 8.23095 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.24296 4.32784 5.05893 8.15861 3.65186 8.04853 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 6.24296 4.32784 5.05893 10.0423 5.41777 6.46549 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 6.83218 4.32784 5.71866 8.15861 7.00044 8.04853 numMergedOcc 0
19 mol 85 unq 3 iso 0 dist 6.83218 4.32784 5.71866 10.0423 5.85247 6.46549 numMergedOcc 0
20 mol 91 unq 0 iso 0 dist 6.64714 5.75219 8.77355 7.09177 9.60912 9.97813 numMergedOcc 0
21 mol 92 unq 0 iso 0 dist 9.61144 5.60623 6.59716 8.65162 8.74506 9.69694 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 6.13521 5.60623 6.87506 8.65162 3.70642 9.69694 numMergedOcc 0
23 mol 93 unq 0 iso 0 dist 9.43355 17.826 9.19977 22.3999 13.1331 5.56839 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.43355 16.0131 7.28831 22.3999 13.1331 7.83506 numMergedOcc 0
25 mol 146 unq 0 iso 0 dist 9.48545 4.43511 9.23136 11.0295 11.2635 6.73137 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 6.68721 6.83901 9.97968 6.51748 11.6769 9.45696 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 8.66311 6.07908 6.05009 11.3108 13.7198 7.85698 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 8.66311 6.07908 6.05009 10.128 3.33711 8.75484 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 8.28282 5.39899 6.88127 9.72711 4.75583 7.37629 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 8.28282 5.39899 6.88127 6.91764 3.11607 5.68985 numMergedOcc 0
