COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.865  -0.455  -0.808  1.00  0.00           C  
HETATM    2  N   UNL     1       3.890  -0.972  -0.034  1.00  0.00           N  
HETATM    3  C   UNL     1       2.869  -0.094   0.543  1.00  0.00           C  
HETATM    4  N   UNL     1       5.870  -1.241  -1.242  1.00  0.00           N  
HETATM    5  O   UNL     1       4.836   0.721  -1.118  1.00  0.00           O  
HETATM    6  C   UNL     1       3.533   0.997   1.387  1.00  0.00           C  
HETATM    7  C   UNL     1       1.896  -0.916   1.413  1.00  0.00           C  
HETATM    8  C   UNL     1       2.029   0.544  -0.577  1.00  0.00           C  
HETATM    9  C   UNL     1       6.929  -0.679  -2.083  1.00  0.00           C  
HETATM   10  C   UNL     1       5.902  -2.659  -0.874  1.00  0.00           C  
HETATM   11  C   UNL     1       4.085   2.088   0.467  1.00  0.00           C  
HETATM   12  O   UNL     1       4.602   0.428   2.145  1.00  0.00           O  
HETATM   13  C   UNL     1       2.559  -2.213   1.879  1.00  0.00           C  
HETATM   14  O   UNL     1       1.458  -0.148   2.535  1.00  0.00           O  
HETATM   15  C   UNL     1       0.709  -1.224   0.467  1.00  0.00           C  
HETATM   16  N   UNL     1       2.503   0.081  -1.888  1.00  0.00           N  
HETATM   17  C   UNL     1       0.573   0.087  -0.350  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.565  -1.500   1.267  1.00  0.00           C  
HETATM   19  O   UNL     1       1.018  -2.324  -0.392  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.166   1.093   0.418  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.658  -1.785   0.355  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.787   2.157  -0.242  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.860  -2.051   0.903  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.486   3.108   0.484  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.699   2.264  -1.625  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.991  -2.046   2.111  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.015  -2.350   0.038  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.106   4.170  -0.181  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.311   3.314  -2.284  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.843  -1.317  -0.410  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.287  -3.671  -0.345  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.850   5.186   0.582  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.016   4.264  -1.573  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.556   0.108  -0.010  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.922  -1.603  -1.218  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.488  -4.681   0.079  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.377  -3.940  -1.159  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.517   6.330  -0.138  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.927   5.102   1.789  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.190  -2.910  -1.589  1.00  0.00           C  
HETATM   41  H   UNL     1       3.865  -1.926   0.140  1.00  0.00           H  
HETATM   42  H   UNL     1       2.797   1.430   2.064  1.00  0.00           H  
HETATM   43  H   UNL     1       2.093   1.631  -0.519  1.00  0.00           H  
HETATM   44  H   UNL     1       7.736  -0.308  -1.451  1.00  0.00           H  
HETATM   45  H   UNL     1       7.314  -1.452  -2.748  1.00  0.00           H  
HETATM   46  H   UNL     1       6.526   0.142  -2.675  1.00  0.00           H  
HETATM   47  H   UNL     1       5.003  -3.151  -1.245  1.00  0.00           H  
HETATM   48  H   UNL     1       6.781  -3.129  -1.314  1.00  0.00           H  
HETATM   49  H   UNL     1       5.945  -2.751   0.211  1.00  0.00           H  
HETATM   50  H   UNL     1       3.416   2.218  -0.384  1.00  0.00           H  
HETATM   51  H   UNL     1       4.158   3.025   1.018  1.00  0.00           H  
HETATM   52  H   UNL     1       5.073   1.797   0.111  1.00  0.00           H  
HETATM   53  H   UNL     1       5.295   0.023   1.606  1.00  0.00           H  
HETATM   54  H   UNL     1       3.515  -1.983   2.351  1.00  0.00           H  
HETATM   55  H   UNL     1       1.911  -2.715   2.598  1.00  0.00           H  
HETATM   56  H   UNL     1       2.725  -2.865   1.022  1.00  0.00           H  
HETATM   57  H   UNL     1       0.843  -0.616   3.116  1.00  0.00           H  
HETATM   58  H   UNL     1       1.778   0.167  -2.585  1.00  0.00           H  
HETATM   59  H   UNL     1       3.335   0.578  -2.168  1.00  0.00           H  
HETATM   60  H   UNL     1       0.080  -0.105  -1.303  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.405  -2.357   1.921  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.813  -0.625   1.869  1.00  0.00           H  
HETATM   63  H   UNL     1       0.306  -2.557  -1.004  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.224   1.021   1.383  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.552   3.029   1.559  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.150   1.523  -2.188  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.239   3.391  -3.358  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.493   5.083  -2.091  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.894   0.565  -0.745  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.490   0.667   0.036  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.076   0.120   0.969  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.561  -0.804  -1.564  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.765  -5.077   0.917  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.590  -4.956  -1.457  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.340   6.237  -1.210  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.589   6.306   0.057  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.104   7.273   0.218  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.038  -3.125  -2.223  1.00  0.00           H  
CONECT    1    2    4    5    5                                       
CONECT    2    1    3   41                                            
CONECT    3    2    6    7    8                                       
CONECT    4    1    9   10                                            
CONECT    5    1    1                                                 
CONECT    6    3   11   12   42                                       
CONECT    7    3   13   14   15                                       
CONECT    8    3   16   17   43                                       
CONECT    9    4   44   45   46                                       
CONECT   10    4   47   48   49                                       
CONECT   11    6   50   51   52                                       
CONECT   12    6   53                                                 
CONECT   13    7   54   55   56                                       
CONECT   14    7   57                                                 
CONECT   15    7   17   18   19                                       
CONECT   16    8   58   59                                            
CONECT   17    8   15   20   60                                       
CONECT   18   15   21   61   62                                       
CONECT   19   15   63                                                 
CONECT   20   17   22   64                                            
CONECT   21   18   23                                                 
CONECT   22   20   24   24   25                                       
CONECT   23   21   26   26   27                                       
CONECT   24   22   22   28   65                                       
CONECT   25   22   29   29   66                                       
CONECT   26   23   23                                                 
CONECT   27   23   30   30   31                                       
CONECT   28   24   32   33   33                                       
CONECT   29   25   25   33   67                                       
CONECT   30   27   27   34   35                                       
CONECT   31   27   36   37   37                                       
CONECT   32   28   38   39   39                                       
CONECT   33   28   28   29   68                                       
CONECT   34   30   69   70   71                                       
CONECT   35   30   40   40   72                                       
CONECT   36   31   73                                                 
CONECT   37   31   31   40   74                                       
CONECT   38   32   75   76   77                                       
CONECT   39   32   32                                                 
CONECT   40   35   35   37   78                                       
CONECT   41    2                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
