COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.970   0.803   6.848  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.485  -0.408   6.574  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.709  -0.755   7.013  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.446   0.116   7.731  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.918   1.397   8.022  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.685   1.717   7.573  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.832  -1.205   5.928  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.556  -0.194   8.124  1.00  0.00           O  
HETATM    9  C   UNL     1       0.366   1.150   6.360  1.00  0.00           C  
HETATM   10  C   UNL     1       1.413   0.114   6.843  1.00  0.00           C  
HETATM   11  O   UNL     1       1.905   0.453   8.141  1.00  0.00           O  
HETATM   12  C   UNL     1       2.529   0.256   5.775  1.00  0.00           C  
HETATM   13  C   UNL     1       1.812   0.895   4.569  1.00  0.00           C  
HETATM   14  O   UNL     1       0.427   1.044   4.922  1.00  0.00           O  
HETATM   15  O   UNL     1       3.573   1.107   6.253  1.00  0.00           O  
HETATM   16  C   UNL     1       1.943  -0.012   3.345  1.00  0.00           C  
HETATM   17  O   UNL     1       1.270   0.584   2.235  1.00  0.00           O  
HETATM   18  P   UNL     1       1.447  -0.419   0.989  1.00  0.00           P  
HETATM   19  O   UNL     1       2.888  -0.594   0.698  1.00  0.00           O  
HETATM   20  O   UNL     1       0.796  -1.846   1.352  1.00  0.00           O  
HETATM   21  O   UNL     1       0.709   0.194  -0.303  1.00  0.00           O  
HETATM   22  P   UNL     1       0.926  -0.855  -1.504  1.00  0.00           P  
HETATM   23  O   UNL     1       0.335  -2.160  -1.132  1.00  0.00           O  
HETATM   24  O   UNL     1       2.501  -1.038  -1.779  1.00  0.00           O  
HETATM   25  C   UNL     1       0.436  -1.272  -3.860  1.00  0.00           C  
HETATM   26  C   UNL     1       0.484  -0.573  -5.221  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.840   0.160  -5.455  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.991  -0.835  -5.271  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.852  -1.514  -3.907  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.016  -2.486  -3.703  1.00  0.00           C  
HETATM   31  C   UNL     1       2.812   0.004  -5.650  1.00  0.00           C  
HETATM   32  C   UNL     1       3.948   0.995  -5.667  1.00  0.00           C  
HETATM   33  N   UNL     1       1.588   0.389  -5.238  1.00  0.00           N  
HETATM   34  O   UNL     1       0.209  -0.302  -2.836  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.873   0.691  -6.781  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.239  -0.143  -5.336  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.620  -2.230  -3.846  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.893  -3.117  -2.427  1.00  0.00           O  
HETATM   39  O   UNL     1       3.000  -1.139  -6.006  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.190   2.992  -5.987  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.123   2.969  -5.406  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.957   4.099  -5.944  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.646   1.809  -6.738  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.818   1.834  -7.375  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.065  -1.634   6.810  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.493   2.109   8.595  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.266   2.689   7.785  1.00  0.00           H  
HETATM   48  H   UNL     1       0.643   2.154   6.683  1.00  0.00           H  
HETATM   49  H   UNL     1       0.995  -0.892   6.839  1.00  0.00           H  
HETATM   50  H   UNL     1       2.549  -0.227   8.383  1.00  0.00           H  
HETATM   51  H   UNL     1       2.927  -0.721   5.507  1.00  0.00           H  
HETATM   52  H   UNL     1       2.247   1.871   4.355  1.00  0.00           H  
HETATM   53  H   UNL     1       3.941   0.682   7.040  1.00  0.00           H  
HETATM   54  H   UNL     1       1.496  -0.982   3.563  1.00  0.00           H  
HETATM   55  H   UNL     1       2.997  -0.145   3.102  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.139  -1.687   1.535  1.00  0.00           H  
HETATM   57  H   UNL     1       2.846  -0.167  -2.018  1.00  0.00           H  
HETATM   58  H   UNL     1       1.385  -1.777  -3.678  1.00  0.00           H  
HETATM   59  H   UNL     1       0.635  -1.314  -6.006  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.939   0.971  -4.734  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.950  -1.587  -6.059  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.871  -0.758  -3.122  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.958  -1.940  -3.749  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.997  -3.245  -4.486  1.00  0.00           H  
HETATM   65  H   UNL     1       4.852   0.504  -6.027  1.00  0.00           H  
HETATM   66  H   UNL     1       3.696   1.824  -6.329  1.00  0.00           H  
HETATM   67  H   UNL     1       4.116   1.373  -4.659  1.00  0.00           H  
HETATM   68  H   UNL     1       1.438   1.304  -4.953  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.933  -0.805  -5.211  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.644  -3.719  -2.339  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.658   4.876  -5.451  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.395   2.747  -7.408  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.189   0.943  -7.859  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   45                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5   47                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   48                                       
CONECT   10    9   11   12   49                                       
CONECT   11   10   50                                                 
CONECT   12   10   13   15   51                                       
CONECT   13   12   14   16   52                                       
CONECT   14    9   13                                                 
CONECT   15   12   53                                                 
CONECT   16   13   17   54   55                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   56                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   34                                                      
CONECT   23   22   22                                                 
CONECT   24   22   57                                                 
CONECT   25   26   34   37   58                                       
CONECT   26   25   27   33   59                                       
CONECT   27   26   28   35   60                                       
CONECT   28   27   29   36   61                                       
CONECT   29   28   30   37   62                                       
CONECT   30   29   38   63   64                                       
CONECT   31   32   33   39   39                                       
CONECT   32   31   65   66   67                                       
CONECT   33   26   31   68                                            
CONECT   34   22   25                                                 
CONECT   35   27   43                                                 
CONECT   36   28   69                                                 
CONECT   37   25   29                                                 
CONECT   38   30   70                                                 
CONECT   39   31   31                                                 
CONECT   40   41   41   42   43                                       
CONECT   41   40   40                                                 
CONECT   42   40   71                                                 
CONECT   43   35   40   44   44                                       
CONECT   44   43   43   72   73                                       
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   20                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   42                                                      
CONECT   72   44                                                      
CONECT   73   44                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
