COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       0.157  -0.920   0.028  1.00  0.00           C  
HETATM    2  C   UNL     1       0.041  -2.322   0.570  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.313  -0.113   0.750  1.00  0.00           C  
HETATM    4  C   UNL     1       1.579  -0.403   0.253  1.00  0.00           C  
HETATM    5  CA  UNL     1       3.178   1.253  -0.542  1.00  0.00           C  
HETATM    6  C   UNL     1       4.015   0.000  -0.864  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.548  -0.198   0.134  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.866   0.663  -0.899  1.00  0.00           C  
HETATM    9  C   UNL     1       3.723   1.893   0.709  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.949   1.609  -1.317  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.714   1.694  -0.702  1.00  0.00           C  
HETATM   12  C   UNL     1       4.578   0.079  -2.284  1.00  0.00           C  
HETATM   13  N   UNL     1       1.758   0.953  -0.339  1.00  0.00           N  
HETATM   14  O   UNL     1       4.816   2.671   0.643  1.00  0.00           O  
HETATM   15  OXT UNL     1       3.177   1.707   1.770  1.00  0.00           O  
HETATM   16  O   UNL     1       0.369  -3.369  -0.203  1.00  0.00           O  
HETATM   17  OXT UNL     1      -0.348  -2.502   1.699  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.430  -0.621  -0.667  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.396   0.834   0.332  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.050   0.927   1.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.071   0.030   0.291  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.795  -0.048   0.720  1.00  0.00           N  
HETATM   23  S   UNL     1       2.802  -1.373  -0.724  1.00  0.00           S  
HETATM   24  C   UNL     1       5.144  -0.170   0.154  1.00  0.00           C  
HETATM   25  HA  UNL     1      -0.063  -0.924  -1.040  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.066  -0.782   1.561  1.00  0.00           H  
HETATM   27  H   UNL     1       1.832  -0.405   1.313  1.00  0.00           H  
HETATM   28  HA  UNL     1       3.271   1.959  -1.367  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.264  -0.938   0.461  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.830   0.595  -1.381  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.198   2.282  -2.125  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.998   2.434  -1.029  1.00  0.00           H  
HETATM   33  H   UNL     1       5.214   0.960  -2.374  1.00  0.00           H  
HETATM   34  H   UNL     1       5.166  -0.816  -2.492  1.00  0.00           H  
HETATM   35  H   UNL     1       3.757   0.148  -2.997  1.00  0.00           H  
HETATM   36  H   UNL     1       1.242   1.041  -1.202  1.00  0.00           H  
HETATM   37  H   UNL     1       5.128   3.059   1.472  1.00  0.00           H  
HETATM   38  H   UNL     1       0.278  -4.249   0.189  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.695   1.957   0.964  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.141   0.614   2.043  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.508   0.472   1.486  1.00  0.00           H  
HETATM   42  H   UNL     1       4.721  -0.275   1.153  1.00  0.00           H  
HETATM   43  H   UNL     1       5.723  -1.060  -0.091  1.00  0.00           H  
HETATM   44  H   UNL     1       5.794   0.705   0.125  1.00  0.00           H  
CONECT    1    2    4   22   25                                       
CONECT    2    1   16   17   17                                       
CONECT    3    7    7   19   26                                       
CONECT    4    1   13   23   27                                       
CONECT    5    6    9   13   28                                       
CONECT    6    5   12   23   24                                       
CONECT    7    3    3    8   29                                       
CONECT    8    7   10   10   30                                       
CONECT    9    5   14   15   15                                       
CONECT   10    8    8   11   31                                       
CONECT   11   10   19   19   32                                       
CONECT   12    6   33   34   35                                       
CONECT   13    4    5   36                                            
CONECT   14    9   37                                                 
CONECT   15    9    9                                                 
CONECT   16    2   38                                                 
CONECT   17    2    2                                                 
CONECT   18   21   21                                                 
CONECT   19    3   11   11   20                                       
CONECT   20   19   21   39   40                                       
CONECT   21   18   18   20   22                                       
CONECT   22    1   21   41                                            
CONECT   23    4    6                                                 
CONECT   24    6   42   43   44                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
