COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.709  -0.834   0.368  1.00  0.00           C  
HETATM    2  CA  UNL     1      -1.293   1.406   0.119  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.183  -0.659   0.777  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.089  -1.498  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.051  -0.947  -1.528  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.524  -1.448   0.403  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.215   2.785  -0.165  1.00  0.00           C  
HETATM    8  C   UNL     1       2.311   0.657   0.909  1.00  0.00           C  
HETATM    9  C   UNL     1       2.549  -0.857   1.094  1.00  0.00           C  
HETATM   10  C   UNL     1       4.605  -2.086  -0.041  1.00  0.00           C  
HETATM   11  C   UNL     1       5.682  -0.236  -0.327  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.562  -2.008   1.826  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.788  -1.673  -2.456  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.981  -0.094   0.411  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.594  -1.793  -0.818  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.455   0.772   0.587  1.00  0.00           N  
HETATM   17  OXT UNL     1      -0.108   3.293  -0.707  1.00  0.00           O1-
HETATM   18  O   UNL     1      -2.249   3.581   0.109  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.258   0.553  -0.029  1.00  0.00           C  
HETATM   20  S   UNL     1       1.355   0.984  -0.593  1.00  0.00           S  
HETATM   21  C   UNL     1       3.749   1.204   0.775  1.00  0.00           C  
HETATM   22  N   UNL     1       4.538   0.078   0.258  1.00  0.00           N  
HETATM   23  N   UNL     1       3.839  -1.123   0.444  1.00  0.00           N1+
HETATM   24  N   UNL     1       5.715  -1.543  -0.505  1.00  0.00           N  
HETATM   25  H   UNL     1      -0.122  -1.198   1.211  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.323  -0.938   1.821  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.740  -2.531  -0.133  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.259   0.099  -1.703  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.169  -2.046  -0.240  1.00  0.00           H  
HETATM   30  H   UNL     1       1.815   1.081   1.782  1.00  0.00           H  
HETATM   31  H   UNL     1       2.600  -1.106   2.154  1.00  0.00           H  
HETATM   32  H   UNL     1       1.756  -1.427   0.609  1.00  0.00           H  
HETATM   33  H   UNL     1       4.363  -3.138  -0.055  1.00  0.00           H  
HETATM   34  H   UNL     1       6.457   0.460  -0.612  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.584  -1.973   2.203  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.213  -3.041   1.820  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.917  -1.411   2.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.886   0.013   0.736  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.018  -1.325  -1.706  1.00  0.00           H  
HETATM   40  H   UNL     1       0.456  -2.026  -0.997  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.137  -2.712  -0.597  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.303   1.209   0.759  1.00  0.00           H  
HETATM   43  H   UNL     1       3.773   2.037   0.072  1.00  0.00           H  
HETATM   44  H   UNL     1       4.127   1.517   1.747  1.00  0.00           H  
CONECT    1   15    3   19   25                                       
CONECT    2   19   19   16    7                                       
CONECT    3    4    1   16   26                                       
CONECT    4    6    3    5   27                                       
CONECT    5    4   13   13   28                                       
CONECT    6   12   14    4   29                                       
CONECT    7    2   18   18   17                                       
CONECT    8   20    9   21   30                                       
CONECT    9    8   23   31   32                                       
CONECT   10   23   23   24   33                                       
CONECT   11   22   24   24   34                                       
CONECT   12    6   35   36   37                                       
CONECT   13    5    5                                                 
CONECT   14    6   38                                                 
CONECT   15    1   39   40   41                                       
CONECT   16    3    2   42                                            
CONECT   17    7                                                      
CONECT   18    7    7                                                 
CONECT   19    1   20    2    2                                       
CONECT   20   19    8                                                 
CONECT   21    8   22   43   44                                       
CONECT   22   23   21   11                                            
CONECT   23    9   10   10   22                                       
CONECT   24   10   11   11                                            
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
