COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -4.541  -1.333  -0.055  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.227  -1.728  -1.167  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.613  -2.725  -1.734  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.500  -3.029  -1.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.475  -3.994  -1.161  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.485  -4.787  -2.087  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.486  -4.016  -0.241  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.485  -3.125   0.791  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.467  -3.171   1.710  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.431  -2.223   0.931  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.440  -2.138   0.056  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.913   1.358   0.827  1.00  0.00           O  
HETATM   13  C   UNL     1      -7.689   2.018   0.501  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.536   1.358   1.259  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.330   0.021   0.775  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.231   2.140   1.012  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.702   2.638   2.243  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.272   1.093   0.395  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.953   1.233   0.927  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.912  -0.243   0.851  1.00  0.00           C  
HETATM   21  P   UNL     1      -1.964   1.432  -0.328  1.00  0.00           P  
HETATM   22  O   UNL     1      -2.431   2.573  -1.148  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.958   0.094  -1.224  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.474   1.728   0.205  1.00  0.00           O  
HETATM   25  C   UNL     1       0.327   2.011  -0.944  1.00  0.00           C  
HETATM   26  C   UNL     1       1.763   2.303  -0.506  1.00  0.00           C  
HETATM   27  O   UNL     1       2.370   1.116   0.051  1.00  0.00           O  
HETATM   28  C   UNL     1       2.640   2.659  -1.727  1.00  0.00           C  
HETATM   29  O   UNL     1       2.771   4.076  -1.854  1.00  0.00           O  
HETATM   30  C   UNL     1       4.009   2.013  -1.409  1.00  0.00           C  
HETATM   31  O   UNL     1       5.028   3.012  -1.332  1.00  0.00           O  
HETATM   32  C   UNL     1       3.794   1.341  -0.034  1.00  0.00           C  
HETATM   33  N   UNL     1       4.516   0.068   0.030  1.00  0.00           N  
HETATM   34  C   UNL     1       4.008  -1.164  -0.265  1.00  0.00           C  
HETATM   35  N   UNL     1       4.927  -2.070  -0.100  1.00  0.00           N  
HETATM   36  C   UNL     1       6.074  -1.477   0.310  1.00  0.00           C  
HETATM   37  C   UNL     1       7.366  -1.952   0.636  1.00  0.00           C  
HETATM   38  O   UNL     1       7.629  -3.140   0.575  1.00  0.00           O  
HETATM   39  N   UNL     1       8.303  -1.054   1.013  1.00  0.00           N  
HETATM   40  C   UNL     1       7.997   0.273   1.084  1.00  0.00           C  
HETATM   41  N   UNL     1       8.967   1.161   1.476  1.00  0.00           N  
HETATM   42  N   UNL     1       6.800   0.726   0.783  1.00  0.00           N  
HETATM   43  C   UNL     1       5.824  -0.103   0.397  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.143  -1.280  -1.523  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.772  -4.669  -0.315  1.00  0.00           H  
HETATM   46  H   UNL     1       0.238  -3.831   1.621  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.453  -2.543   2.450  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.612   1.804   0.330  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.756   3.069   0.784  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.509   1.942  -0.572  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.758   1.336   2.326  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.403   2.958   0.313  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.339   3.283   2.580  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.261   1.168  -0.692  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.620  -0.479   1.874  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.649  -0.622  -0.653  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.078   2.880  -1.464  1.00  0.00           H  
HETATM   58  H   UNL     1       0.319   1.151  -1.613  1.00  0.00           H  
HETATM   59  H   UNL     1       1.780   3.114   0.222  1.00  0.00           H  
HETATM   60  H   UNL     1       2.217   2.232  -2.637  1.00  0.00           H  
HETATM   61  H   UNL     1       3.325   4.237  -2.629  1.00  0.00           H  
HETATM   62  H   UNL     1       4.263   1.267  -2.162  1.00  0.00           H  
HETATM   63  H   UNL     1       5.071   3.434  -2.201  1.00  0.00           H  
HETATM   64  H   UNL     1       4.122   2.004   0.767  1.00  0.00           H  
HETATM   65  H   UNL     1       2.996  -1.357  -0.588  1.00  0.00           H  
HETATM   66  H   UNL     1       9.196  -1.355   1.242  1.00  0.00           H  
HETATM   67  H   UNL     1       8.765   2.108   1.527  1.00  0.00           H  
HETATM   68  H   UNL     1       9.853   0.841   1.705  1.00  0.00           H  
CONECT    1    2   11   20                                            
CONECT    2    1    3    3   44                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   11   11                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   45                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   46   47                                            
CONECT   10    8    8   11                                            
CONECT   11    1    4    4   10                                       
CONECT   12   13   48                                                 
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   16   51                                       
CONECT   15   14   20                                                 
CONECT   16   14   17   18   52                                       
CONECT   17   16   53                                                 
CONECT   18   16   19   20   54                                       
CONECT   19   18   21                                                 
CONECT   20    1   15   18   55                                       
CONECT   21   19   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   56                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   57   58                                       
CONECT   26   25   27   28   59                                       
CONECT   27   26   32                                                 
CONECT   28   26   29   30   60                                       
CONECT   29   28   61                                                 
CONECT   30   28   31   32   62                                       
CONECT   31   30   63                                                 
CONECT   32   27   30   33   64                                       
CONECT   33   32   34   43                                            
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   43   43                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   66                                            
CONECT   40   39   41   42   42                                       
CONECT   41   40   67   68                                            
CONECT   42   40   40   43                                            
CONECT   43   33   36   36   42                                       
CONECT   44    2                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   39                                                      
CONECT   67   41                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
