COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.356  -1.605   1.597  1.00  0.00           O  
HETATM    2  C   UNL     1       3.582  -0.792   0.861  1.00  0.00           C  
HETATM    3  O   UNL     1       3.050   0.164   1.374  1.00  0.00           O  
HETATM    4  C   UNL     1       3.378  -1.071  -0.606  1.00  0.00           C  
HETATM    5  C   UNL     1       4.491  -0.401  -1.413  1.00  0.00           C  
HETATM    6  O   UNL     1       4.357   1.019  -1.322  1.00  0.00           O  
HETATM    7  C   UNL     1       4.389  -0.830  -2.878  1.00  0.00           C  
HETATM    8  C   UNL     1       2.022  -0.514  -1.047  1.00  0.00           C  
HETATM    9  N   UNL     1       1.883   0.890  -0.632  1.00  0.00           N  
HETATM   10  CA  UNL     1       0.798   1.003   0.237  1.00  0.00           C  
HETATM   11  C   UNL     1       0.369   2.307   0.857  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.088   3.194  -0.167  1.00  0.00           O1-
HETATM   13  OXT UNL     1       1.477   2.898   1.539  1.00  0.00           O  
HETATM   14  C   UNL     1       0.877  -1.240  -0.316  1.00  0.00           C  
HETATM   15  C   UNL     1       1.433  -2.303   0.633  1.00  0.00           C  
HETATM   16  C   UNL     1       0.185  -0.140   0.464  1.00  0.00           C  
HETATM   17  S   UNL     1      -1.217  -0.357   1.508  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.465  -0.807   0.270  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.769  -1.276   0.950  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.850  -0.782   0.086  1.00  0.00           N1+
HETATM   21  C   UNL     1      -6.135  -0.927  -0.197  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.361   0.216  -0.769  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.931   0.438  -0.516  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.383   0.611  -1.514  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.449  -0.083  -1.163  1.00  0.00           N  
HETATM   26  H   UNL     1       4.487  -1.426   2.538  1.00  0.00           H  
HETATM   27  H   UNL     1       3.401  -2.147  -0.778  1.00  0.00           H  
HETATM   28  H   UNL     1       5.460  -0.701  -1.014  1.00  0.00           H  
HETATM   29  H   UNL     1       3.588   1.262  -1.855  1.00  0.00           H  
HETATM   30  H   UNL     1       5.182  -0.352  -3.453  1.00  0.00           H  
HETATM   31  H   UNL     1       4.491  -1.913  -2.948  1.00  0.00           H  
HETATM   32  H   UNL     1       3.420  -0.530  -3.278  1.00  0.00           H  
HETATM   33  H   UNL     1       1.906  -0.606  -2.127  1.00  0.00           H  
HETATM   34  H   UNL     1       2.454   1.620  -0.916  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.439   2.125   1.566  1.00  0.00           H  
HETATM   36  HXT UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   37  H   UNL     1       0.189  -1.690  -1.032  1.00  0.00           H  
HETATM   38  H   UNL     1       0.608  -2.860   1.078  1.00  0.00           H  
HETATM   39  H   UNL     1       2.075  -2.986   0.078  1.00  0.00           H  
HETATM   40  H   UNL     1       2.011  -1.820   1.421  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.082  -1.573  -0.403  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.797  -2.364   1.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.854  -0.842   1.947  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.813  -1.619   0.282  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.787   1.339   0.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.388   0.516  -1.458  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.349   1.372  -2.279  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    8   27                                       
CONECT    5    4    6    7   28                                       
CONECT    6    5   29                                                 
CONECT    7    5   30   31   32                                       
CONECT    8    4    9   14   33                                       
CONECT    9    8   10   34                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   13   35                                       
CONECT   12   11                                                      
CONECT   13   11   36                                                 
CONECT   14    8   15   16   37                                       
CONECT   15   14   38   39   40                                       
CONECT   16   10   10   14   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   23   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   25   44                                       
CONECT   22   20   23   24                                            
CONECT   23   18   22   45   46                                       
CONECT   24   22   25   25   47                                       
CONECT   25   21   24   24                                            
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
