0 mol 9 unq 0 iso 0 dist 8.77049 5.16141 6.95341 5.3866 9.82483 6.49896 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.95341 5.16141 8.77049 6.49896 9.82483 5.3866 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.91418 10.7739 6.0961 4.15148 5.52067 7.51317 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 6.0961 10.7739 8.91418 7.51317 5.52067 4.15148 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.23261 5.12876 8.96501 8.17152 9.17518 10.0357 numMergedOcc 0
5 mol 44 unq 0 iso 1 dist 8.96501 5.12876 7.23261 10.0357 9.17518 8.17152 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 7.23261 6.85995 9.4798 8.17152 9.17518 7.37043 numMergedOcc 0
7 mol 44 unq 1 iso 1 dist 9.4798 6.85995 7.23261 7.37043 9.17518 8.17152 numMergedOcc 0
8 mol 44 unq 1 iso 0 dist 8.96501 4.19085 9.4798 10.0357 9.17518 7.37043 numMergedOcc 0
9 mol 44 unq 1 iso 1 dist 9.4798 4.19085 8.96501 7.37043 9.17518 10.0357 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 5.67098 4.49719 8.58218 7.39536 5.86571 11.4735 numMergedOcc 0
11 mol 56 unq 0 iso 1 dist 8.58218 4.49719 5.67098 11.4735 5.86571 7.39536 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.95838 15.0412 9.47892 7.58689 9.05798 9.21153 numMergedOcc 0
13 mol 119 unq 0 iso 1 dist 9.47892 15.0412 8.95838 9.21153 9.05798 7.58689 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.95838 15.0412 9.47892 5.47002 5.85818 13.8865 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 9.47892 15.0412 8.95838 13.8865 5.85818 5.47002 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.43335 15.2469 9.9492 5.91006 8.1582 14.2311 numMergedOcc 0
17 mol 143 unq 0 iso 1 dist 9.9492 15.2469 9.43335 14.2311 8.1582 5.91006 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 9.43335 15.2469 9.9492 10.9939 7.88655 9.32969 numMergedOcc 0
19 mol 143 unq 1 iso 1 dist 9.9492 15.2469 9.43335 9.32969 7.88655 10.9939 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.32685 5.3979 6.74777 6.35266 9.71865 10.3477 numMergedOcc 0
21 mol 197 unq 0 iso 1 dist 6.74777 5.3979 8.32685 10.3477 9.71865 6.35266 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 8.32685 9.51831 9.62514 6.35266 9.71865 13.7046 numMergedOcc 0
23 mol 197 unq 1 iso 1 dist 9.62514 9.51831 8.32685 13.7046 9.71865 6.35266 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 6.74777 4.66266 9.62514 10.3477 9.71865 13.7046 numMergedOcc 0
25 mol 197 unq 1 iso 1 dist 9.62514 4.66266 6.74777 13.7046 9.71865 10.3477 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.94175 13.7433 8.81534 11.1472 8.6597 13.5907 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 8.81534 13.7433 9.94175 13.5907 8.6597 11.1472 numMergedOcc 0
28 mol 243 unq 0 iso 0 dist 8.53888 6.68091 9.46855 4.2759 6.01071 5.81296 numMergedOcc 0
29 mol 243 unq 0 iso 1 dist 9.46855 6.68091 8.53888 5.81296 6.01071 4.2759 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.85005 14.6038 8.96754 3.60708 5.80415 12.0894 numMergedOcc 0
31 mol 285 unq 0 iso 1 dist 8.96754 14.6038 8.85005 12.0894 5.80415 3.60708 numMergedOcc 0
