COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.971  -0.318  -1.365  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.370  -0.473   0.950  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.070  -0.775   0.597  1.00  0.00           C  
HETATM    4  C   UNL     1       3.516  -2.458   0.584  1.00  0.00           C  
HETATM    5  O   UNL     1       4.595  -2.162   1.326  1.00  0.00           O  
HETATM    6  CA  UNL     1       1.738   2.405  -0.351  1.00  0.00           C  
HETATM    7  C   UNL     1       0.867   1.151  -0.253  1.00  0.00           C  
HETATM    8  C   UNL     1       1.427   0.068  -1.177  1.00  0.00           C  
HETATM    9  C   UNL     1       2.820  -0.402  -0.684  1.00  0.00           C  
HETATM   10  C   UNL     1       2.424  -1.436   0.402  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.716  -0.850  -0.744  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.672  -0.620  -1.725  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.320  -0.245  -0.029  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.738   0.085   0.361  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.546  -1.208   0.484  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.986  -0.873   0.879  1.00  0.00           C  
HETATM   17  C   UNL     1       1.252   3.433   0.637  1.00  0.00           C  
HETATM   18  N   UNL     1       1.654   2.955  -1.711  1.00  0.00           N  
HETATM   19  N   UNL     1       1.204  -2.070  -0.145  1.00  0.00           N  
HETATM   20  N   UNL     1       0.598  -1.156  -1.105  1.00  0.00           N  
HETATM   21  O   UNL     1       3.421  -3.543   0.062  1.00  0.00           O  
HETATM   22  O   UNL     1       0.552   4.345   0.266  1.00  0.00           O  
HETATM   23  OXT UNL     1       1.596   3.336   1.931  1.00  0.00           O  
HETATM   24  H   UNL     1      -3.713  -0.135  -2.127  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.646  -0.415   1.993  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.329  -0.953   1.362  1.00  0.00           H  
HETATM   27  H   UNL     1       5.270  -2.849   1.414  1.00  0.00           H  
HETATM   28  HA  UNL     1       2.773   2.147  -0.127  1.00  0.00           H  
HETATM   29  H   UNL     1       0.867   0.788   0.775  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.153   1.393  -0.553  1.00  0.00           H  
HETATM   31  H   UNL     1       1.487   0.433  -2.202  1.00  0.00           H  
HETATM   32  H   UNL     1       3.381  -0.876  -1.489  1.00  0.00           H  
HETATM   33  H   UNL     1       3.382   0.425  -0.251  1.00  0.00           H  
HETATM   34  H   UNL     1       2.208  -0.936   1.346  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.400  -0.678  -2.769  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.739   0.607   1.317  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.185   0.722  -0.402  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.545  -1.730  -0.473  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.099  -1.845   1.246  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.988  -0.351   1.836  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.433  -0.236   0.117  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.562  -1.794   0.967  1.00  0.00           H  
HETATM   43  H1  UNL     1       0.719   3.274  -1.914  1.00  0.00           H  
HETATM   44  H2  UNL     1       2.327   3.695  -1.843  1.00  0.00           H  
HETATM   45  H   UNL     1       0.555  -2.303   0.592  1.00  0.00           H  
HETATM   46  HXT UNL     1       1.260   4.019   2.528  1.00  0.00           H  
CONECT    1   13   13   12   24                                       
CONECT    2   13    3    3   25                                       
CONECT    3    2    2   11   26                                       
CONECT    4   10   21   21    5                                       
CONECT    5    4   27                                                 
CONECT    6   18    7   17   28                                       
CONECT    7    8    6   29   30                                       
CONECT    8   20    7    9   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10   19    9    4   34                                       
CONECT   11   12   12    3   20                                       
CONECT   12    1   11   11   35                                       
CONECT   13   14    1    1    2                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   40   41   42                                       
CONECT   17    6   22   22   23                                       
CONECT   18    6   43   44                                            
CONECT   19   20   10   45                                            
CONECT   20   11    8   19                                            
CONECT   21    4    4                                                 
CONECT   22   17   17                                                 
CONECT   23   17   46                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
