COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.591  -2.380   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1       4.220  -3.557  -0.554  1.00  0.00           C  
HETATM    3  C   UNL     1       2.885  -3.857  -0.727  1.00  0.00           C  
HETATM    4  C   UNL     1       1.908  -2.979  -0.261  1.00  0.00           C  
HETATM    5  N   UNL     1       5.945  -2.077   0.258  1.00  0.00           N  
HETATM    6  N   UNL     1       7.679  -0.514   0.267  1.00  0.00           N  
HETATM    7  N   UNL     1       9.347   1.236   0.256  1.00  0.00           N  
HETATM    8  N   UNL     1      -1.409  -4.303  -1.004  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.011  -4.376  -1.032  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.057  -2.695  -0.154  1.00  0.00           N  
HETATM   11  N   UNL     1      -9.064   1.159   0.283  1.00  0.00           N  
HETATM   12  N   UNL     1     -10.150   3.478  -0.961  1.00  0.00           N  
HETATM   13  C   UNL     1       6.364  -0.798   0.190  1.00  0.00           C  
HETATM   14  C   UNL     1       8.112   0.810   0.197  1.00  0.00           C  
HETATM   15  C   UNL     1       8.186   2.988   0.034  1.00  0.00           C  
HETATM   16  C   UNL     1       7.300   1.966   0.047  1.00  0.00           C  
HETATM   17  C   UNL     1       7.868   4.454  -0.102  1.00  0.00           C  
HETATM   18  C   UNL     1       6.965   4.890   1.054  1.00  0.00           C  
HETATM   19  C   UNL     1       9.166   5.263  -0.068  1.00  0.00           C  
HETATM   20  C   UNL     1       7.150   4.699  -1.431  1.00  0.00           C  
HETATM   21  C   UNL     1       3.618  -1.500   0.545  1.00  0.00           C  
HETATM   22  C   UNL     1       2.283  -1.799   0.379  1.00  0.00           C  
HETATM   23  C   UNL     1       0.471  -3.300  -0.447  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.613  -2.507  -0.027  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.758  -3.147  -0.382  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.262  -1.523   0.479  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.639  -1.045   0.721  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.854   0.169   1.376  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.142   0.610   1.599  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.219  -0.148   1.174  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.013  -1.352   0.525  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.730  -1.802   0.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.624   0.340   1.421  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.279   2.397   0.190  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.713   3.182  -1.051  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.936   2.240  -0.867  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.501   1.456   0.373  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.591   4.297  -2.098  1.00  0.00           C  
HETATM   39  C   UNL     1       5.276  -4.506  -1.058  1.00  0.00           C  
HETATM   40  O   UNL     1       5.555   0.101   0.061  1.00  0.00           O  
HETATM   41  O   UNL     1       9.404   2.441   0.167  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.313  -0.859   0.850  1.00  0.00           O  
HETATM   43  H   UNL     1       2.597  -4.772  -1.224  1.00  0.00           H  
HETATM   44  H   UNL     1       6.583  -2.788   0.427  1.00  0.00           H  
HETATM   45  H   UNL     1       8.325  -1.230   0.370  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.021  -4.962  -1.369  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.814  -3.225  -0.450  1.00  0.00           H  
HETATM   48  H   UNL     1       6.225   2.017  -0.037  1.00  0.00           H  
HETATM   49  H   UNL     1       7.477   4.715   2.000  1.00  0.00           H  
HETATM   50  H   UNL     1       6.735   5.951   0.955  1.00  0.00           H  
HETATM   51  H   UNL     1       6.040   4.313   1.029  1.00  0.00           H  
HETATM   52  H   UNL     1       9.809   4.953  -0.892  1.00  0.00           H  
HETATM   53  H   UNL     1       8.936   6.324  -0.167  1.00  0.00           H  
HETATM   54  H   UNL     1       9.678   5.089   0.878  1.00  0.00           H  
HETATM   55  H   UNL     1       6.225   4.122  -1.455  1.00  0.00           H  
HETATM   56  H   UNL     1       6.919   5.760  -1.530  1.00  0.00           H  
HETATM   57  H   UNL     1       7.793   4.389  -2.254  1.00  0.00           H  
HETATM   58  H   UNL     1       3.909  -0.586   1.041  1.00  0.00           H  
HETATM   59  H   UNL     1       1.528  -1.115   0.738  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.547  -1.558   0.486  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.015   0.762   1.708  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.311   1.549   2.106  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.858  -1.939   0.196  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.570  -2.742  -0.217  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.645   0.941   2.330  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.291  -0.514   1.533  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.447   3.003   1.080  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.220   2.151   0.112  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.520   2.587  -1.943  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.152   4.115  -1.106  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.995   2.486  -0.789  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.768   1.635  -1.758  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.062   0.523   0.428  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.694   2.050   1.266  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.641   4.558  -1.972  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.993   5.207  -2.144  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.465   3.733  -3.022  1.00  0.00           H  
HETATM   78  H   UNL     1       5.524  -5.223  -0.275  1.00  0.00           H  
HETATM   79  H   UNL     1       4.900  -5.037  -1.932  1.00  0.00           H  
HETATM   80  H   UNL     1       6.169  -3.943  -1.332  1.00  0.00           H  
CONECT    1   21    5    2    2                                       
CONECT    2    1    1    3   39                                       
CONECT    3    4    4    2   43                                       
CONECT    4   22   23    3    3                                       
CONECT    5   13    1   44                                            
CONECT    6   14   13   45                                            
CONECT    7   41   14   14                                            
CONECT    8    9   25   46                                            
CONECT    9    8   23   23                                            
CONECT   10   25   26   47                                            
CONECT   11   34   37   33                                            
CONECT   12   35   38   36                                            
CONECT   13   40   40    6    5                                       
CONECT   14   16    7    7    6                                       
CONECT   15   17   41   16   16                                       
CONECT   16   15   15   14   48                                       
CONECT   17   18   20   19   15                                       
CONECT   18   17   49   50   51                                       
CONECT   19   17   52   53   54                                       
CONECT   20   17   55   56   57                                       
CONECT   21   22   22    1   58                                       
CONECT   22   21   21    4   59                                       
CONECT   23    9    9    4   24                                       
CONECT   24   23   25   25   60                                       
CONECT   25    8   24   24   10                                       
CONECT   26   10   27   42   42                                       
CONECT   27   26   32   28   28                                       
CONECT   28   27   27   29   61                                       
CONECT   29   30   30   28   62                                       
CONECT   30   31   33   29   29                                       
CONECT   31   32   32   30   63                                       
CONECT   32   31   31   27   64                                       
CONECT   33   11   30   65   66                                       
CONECT   34   35   11   67   68                                       
CONECT   35   34   12   69   70                                       
CONECT   36   12   37   71   72                                       
CONECT   37   36   11   73   74                                       
CONECT   38   12   75   76   77                                       
CONECT   39    2   78   79   80                                       
CONECT   40   13   13                                                 
CONECT   41   15    7                                                 
CONECT   42   26   26                                                 
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
