COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.545   2.087  -0.441  1.00  0.00           C  
HETATM    2  C   UNL     1       4.822   0.742  -0.347  1.00  0.00           C  
HETATM    3  C   UNL     1       3.805  -0.154  -0.028  1.00  0.00           C  
HETATM    4  CA  UNL     1       2.478  -1.896   0.451  1.00  0.00           C  
HETATM    5  C   UNL     1       0.213  -0.763   0.795  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.553   2.843  -0.262  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.389   2.735   1.057  1.00  0.00           C  
HETATM    8  C   UNL     1       2.245   1.704   0.093  1.00  0.00           C  
HETATM    9  C   UNL     1       3.179   4.698   1.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.579  -0.912  -0.506  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.055  -0.884  -0.201  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.946   0.634  -0.238  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.311   1.683  -0.977  1.00  0.00           C  
HETATM   14  C   UNL     1       2.981   4.040  -0.324  1.00  0.00           C  
HETATM   15  C   UNL     1       2.501   0.331   0.194  1.00  0.00           C  
HETATM   16  C   UNL     1       2.031  -3.272   0.702  1.00  0.00           C  
HETATM   17  C   UNL     1       3.260   2.563  -0.216  1.00  0.00           C  
HETATM   18  C   UNL     1       1.689  -0.790   0.490  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.951  -1.000  -1.201  1.00  0.00           N  
HETATM   20  N   UNL     1       6.198   0.249  -0.584  1.00  0.00           N1+
HETATM   21  N   UNL     1       3.770  -1.518   0.134  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.435  -0.758   0.943  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.778  -1.878   0.207  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.242  -1.078  -2.115  1.00  0.00           O  
HETATM   25  O   UNL     1       0.867  -3.492   0.974  1.00  0.00           O  
HETATM   26  OXT UNL     1       2.911  -4.291   0.632  1.00  0.00           O  
HETATM   27  O   UNL     1       7.086   1.033  -0.863  1.00  0.00           O1-
HETATM   28  O   UNL     1       6.441  -0.942  -0.501  1.00  0.00           O  
HETATM   29  S   UNL     1      -4.573  -0.970  -0.866  1.00  0.00           S  
HETATM   30  S   UNL     1      -4.903   1.094   1.459  1.00  0.00           S  
HETATM   31  H   UNL     1       5.336   2.780  -0.688  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.043   0.185   1.269  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.035  -1.584   1.467  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.856   3.765  -0.737  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.533   3.534   1.770  1.00  0.00           H  
HETATM   36  H   UNL     1       1.247   2.083   0.258  1.00  0.00           H  
HETATM   37  H   UNL     1       2.977   5.766   0.964  1.00  0.00           H  
HETATM   38  H   UNL     1       2.494   4.251   1.764  1.00  0.00           H  
HETATM   39  H   UNL     1       4.206   4.546   1.374  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.331  -0.090  -1.178  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.324  -1.859  -0.980  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.411   1.631  -2.051  1.00  0.00           H  
HETATM   43  H   UNL     1       1.953   4.192  -0.655  1.00  0.00           H  
HETATM   44  H   UNL     1       3.665   4.487  -1.045  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.647  -1.101  -2.116  1.00  0.00           H  
HETATM   46  H   UNL     1       4.527  -2.118   0.041  1.00  0.00           H  
HETATM   47  HXT UNL     1       2.570  -5.179   0.806  1.00  0.00           H  
CONECT    1   17    2    2   31                                       
CONECT    2    1    1    3   20                                       
CONECT    3   15   15   21    2                                       
CONECT    4   18   18   16   21                                       
CONECT    5   10   18   32   33                                       
CONECT    6    7    7   13   34                                       
CONECT    7   30    6    6   35                                       
CONECT    8   17   17   15   36                                       
CONECT    9   14   37   38   39                                       
CONECT   10   11    5   40   41                                       
CONECT   11   19   10   22   22                                       
CONECT   12   30   13   13   29                                       
CONECT   13    6   12   12   42                                       
CONECT   14    9   17   43   44                                       
CONECT   15    8   18    3    3                                       
CONECT   16   25   25    4   26                                       
CONECT   17   14    8    8    1                                       
CONECT   18    5   15    4    4                                       
CONECT   19   29   11   45                                            
CONECT   20    2   27   28   28                                       
CONECT   21    4    3   46                                            
CONECT   22   11   11                                                 
CONECT   23   29   29                                                 
CONECT   24   29   29                                                 
CONECT   25   16   16                                                 
CONECT   26   16   47                                                 
CONECT   27   20                                                      
CONECT   28   20   20                                                 
CONECT   29   12   24   24   19                                       
CONECT   29   23   23                                                 
CONECT   30    7   12                                                 
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
