COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.331   0.308  -0.023  1.00  0.00           C  
HETATM    2  C   UNL     1       6.051   1.397  -0.368  1.00  0.00           C  
HETATM    3  C   UNL     1       1.094   0.153  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1       1.777   1.316  -0.668  1.00  0.00           C  
HETATM    5  C   UNL     1       1.806  -0.959   0.161  1.00  0.00           C  
HETATM    6  C   UNL     1       3.173  -0.908   0.249  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.378   0.101  -0.389  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.434  -1.032  -0.007  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.504  -2.235  -0.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.138   0.154   0.167  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.252  -3.533  -0.308  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.364  -3.516  -0.351  1.00  0.00           C  
HETATM   13  C   UNL     1       7.340  -0.543   0.438  1.00  0.00           C  
HETATM   14  C   UNL     1       3.854   0.254  -0.119  1.00  0.00           C  
HETATM   15  C   UNL     1       8.332  -1.582   0.892  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.201  -1.054   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.518   0.139   0.186  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.123  -2.228  -0.162  1.00  0.00           C  
HETATM   19  C   UNL     1       3.144   1.365  -0.579  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.036  -1.020  -0.033  1.00  0.00           N  
HETATM   21  N   UNL     1       6.065  -0.711   0.404  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.683   2.276  -1.098  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.683   1.280   0.926  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.529   2.540   1.067  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.998   1.070  -0.784  1.00  0.00           O  
HETATM   26  S   UNL     1      -5.411   1.642   0.407  1.00  0.00           S  
HETATM   27  S   UNL     1       7.753   1.025  -0.105  1.00  0.00           S  
HETATM   28  H   UNL     1       5.654   2.330  -0.740  1.00  0.00           H  
HETATM   29  H   UNL     1       1.228   2.175  -1.023  1.00  0.00           H  
HETATM   30  H   UNL     1       1.279  -1.857   0.447  1.00  0.00           H  
HETATM   31  H   UNL     1       3.724  -1.766   0.605  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.605   1.085   0.288  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.449  -3.705  -1.367  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.652  -4.352   0.088  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.197  -3.480   0.233  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.165  -3.967   0.621  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.958  -4.202  -0.956  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.421  -3.311  -0.857  1.00  0.00           H  
HETATM   39  H   UNL     1       8.643  -2.185   0.038  1.00  0.00           H  
HETATM   40  H   UNL     1       9.203  -1.090   1.325  1.00  0.00           H  
HETATM   41  H   UNL     1       7.868  -2.225   1.640  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.281  -1.062   0.048  1.00  0.00           H  
HETATM   43  H   UNL     1       3.672   2.263  -0.864  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.540  -1.818   0.206  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.166   3.112  -1.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.360   1.811  -1.886  1.00  0.00           H  
CONECT    1    2    2   14   21                                       
CONECT    2   27    1    1   28                                       
CONECT    3    5    7    4    4                                       
CONECT    4    3    3   19   29                                       
CONECT    5    6    6    3   30                                       
CONECT    6    5    5   14   31                                       
CONECT    7   25   25   20    3                                       
CONECT    8   10   20   18   18                                       
CONECT    9   16   16   18   11                                       
CONECT   10   17   17    8   32                                       
CONECT   11    9   33   34   35                                       
CONECT   12   18   36   37   38                                       
CONECT   13   27   21   21   15                                       
CONECT   14    6    1   19   19                                       
CONECT   15   13   39   40   41                                       
CONECT   16   17    9    9   42                                       
CONECT   17   26   10   10   16                                       
CONECT   18    8    8    9   12                                       
CONECT   19   14   14    4   43                                       
CONECT   20    7    8   44                                            
CONECT   21    1   13   13                                            
CONECT   22   26   45   46                                            
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25    7    7                                                 
CONECT   26   23   23   22   24                                       
CONECT   26   24   17                                                 
CONECT   27    2   13                                                 
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
