COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.911  -3.206   0.872  1.00  0.00           C  
HETATM    2  C   UNL     1       3.380  -1.922   0.333  1.00  0.00           C  
HETATM    3  O   UNL     1       1.797  -3.293   1.354  1.00  0.00           O  
HETATM    4  C   UNL     1       2.665  -0.790   0.329  1.00  0.00           C  
HETATM    5  C   UNL     1       3.299   0.324  -0.234  1.00  0.00           C  
HETATM    6  N   UNL     1       3.712  -4.289   0.827  1.00  0.00           N  
HETATM    7  C   UNL     1       2.804   1.655  -0.382  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.124   1.100   0.278  1.00  0.00           N  
HETATM    9  C   UNL     1       1.450   1.995   0.092  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.010   1.088  -0.280  1.00  0.00           S  
HETATM   11  C   UNL     1       1.140   3.058   0.893  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.187   3.172   1.205  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987   2.203   0.667  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.436   2.105   0.854  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.019   2.932   1.531  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.574   1.002   0.465  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.096  -0.200  -0.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.692  -0.045  -1.513  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.172  -1.148  -2.195  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.058  -2.410  -1.642  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.462  -2.573  -0.407  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.974  -1.468   0.278  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.367  -1.630   1.526  1.00  0.00           N  
HETATM   24  C   UNL     1       3.595   2.628  -0.971  1.00  0.00           C  
HETATM   25  C   UNL     1       4.868   2.319  -1.420  1.00  0.00           C  
HETATM   26  C   UNL     1       5.362   1.041  -1.285  1.00  0.00           C  
HETATM   27  C   UNL     1       4.589   0.036  -0.694  1.00  0.00           C  
HETATM   28  S   UNL     1       4.958  -1.657  -0.387  1.00  0.00           S  
HETATM   29  H   UNL     1       1.664  -0.740   0.732  1.00  0.00           H  
HETATM   30  H   UNL     1       4.599  -4.220   0.439  1.00  0.00           H  
HETATM   31  H   UNL     1       3.402  -5.136   1.183  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.659   0.441  -0.261  1.00  0.00           H  
HETATM   33  H   UNL     1       1.884   3.753   1.252  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.572   3.965   1.829  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.796   0.899   1.527  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.051   1.903   0.080  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.783   0.940  -1.947  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.639  -1.023  -3.161  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.434  -3.269  -2.177  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.373  -3.559   0.024  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.030  -0.857   2.005  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.282  -2.515   1.913  1.00  0.00           H  
HETATM   43  H   UNL     1       3.216   3.634  -1.082  1.00  0.00           H  
HETATM   44  H   UNL     1       5.477   3.084  -1.878  1.00  0.00           H  
HETATM   45  H   UNL     1       6.356   0.812  -1.638  1.00  0.00           H  
CONECT    1    3    3    2    6                                       
CONECT    2   28    1    4    4                                       
CONECT    3    1    1                                                 
CONECT    4    2    2    5   29                                       
CONECT    5   27    4    7    7                                       
CONECT    6    1   30   31                                            
CONECT    7    5    5   24    9                                       
CONECT    8   14   16   32                                            
CONECT    9    7   11   11   10                                       
CONECT   10    9   13                                                 
CONECT   11    9    9   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   15    8                                       
CONECT   15   14   14                                                 
CONECT   16    8   17   35   36                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   22   22   20   40                                       
CONECT   22   17   23   21   21                                       
CONECT   23   22   41   42                                            
CONECT   24   25   25    7   43                                       
CONECT   25   26   24   24   44                                       
CONECT   26   27   27   25   45                                       
CONECT   27   28   26   26    5                                       
CONECT   28   27    2                                                 
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
