COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.982  -0.890   1.433  1.00  0.00           O  
HETATM    2  C   UNL     1       4.298  -0.405   0.364  1.00  0.00           C  
HETATM    3  O   UNL     1       5.422  -0.814  -0.254  1.00  0.00           O  
HETATM    4  C   UNL     1       6.207  -1.837   0.414  1.00  0.00           C  
HETATM    5  C   UNL     1       7.419  -2.165  -0.421  1.00  0.00           C  
HETATM    6  C   UNL     1       8.596  -1.466  -0.234  1.00  0.00           C  
HETATM    7  C   UNL     1       9.708  -1.767  -0.999  1.00  0.00           C  
HETATM    8  C   UNL     1       9.641  -2.767  -1.951  1.00  0.00           C  
HETATM    9  C   UNL     1       8.463  -3.467  -2.137  1.00  0.00           C  
HETATM   10  C   UNL     1       7.354  -3.169  -1.369  1.00  0.00           C  
HETATM   11  N   UNL     1       3.521   0.537  -0.205  1.00  0.00           N  
HETATM   12  C   UNL     1       2.240   0.899   0.408  1.00  0.00           C  
HETATM   13  C   UNL     1       1.950   2.378   0.148  1.00  0.00           C  
HETATM   14  C   UNL     1       2.972   3.224   0.863  1.00  0.00           C  
HETATM   15  O   UNL     1       3.779   2.704   1.597  1.00  0.00           O  
HETATM   16  O   UNL     1       2.985   4.554   0.685  1.00  0.00           O  
HETATM   17  C   UNL     1       3.997   5.306   1.406  1.00  0.00           C  
HETATM   18  C   UNL     1       5.387   4.821   0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       3.856   6.794   1.080  1.00  0.00           C  
HETATM   20  C   UNL     1       3.815   5.094   2.910  1.00  0.00           C  
HETATM   21  C   UNL     1       1.142   0.058  -0.190  1.00  0.00           C  
HETATM   22  O   UNL     1       1.403  -0.762  -1.044  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.131   0.218   0.225  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.199  -0.599  -0.357  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.280  -1.935   0.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.011  -2.715   0.154  1.00  0.00           C  
HETATM   27  C   UNL     1       1.058  -2.565   1.017  1.00  0.00           C  
HETATM   28  C   UNL     1       2.222  -3.280   0.806  1.00  0.00           C  
HETATM   29  C   UNL     1       2.316  -4.146  -0.268  1.00  0.00           C  
HETATM   30  C   UNL     1       1.246  -4.296  -1.130  1.00  0.00           C  
HETATM   31  C   UNL     1       0.081  -3.584  -0.917  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.513   0.128  -0.229  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.553   1.220   0.296  1.00  0.00           O  
HETATM   34  N   UNL     1      -3.643  -0.437  -0.698  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.902   0.313  -0.674  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.028   1.139  -1.955  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.262   2.039  -1.862  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.506   2.764  -3.207  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.012   4.144  -2.733  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.451   4.327  -1.389  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.027   3.160  -0.874  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.529   3.025   0.224  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.076  -0.663  -0.578  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.018  -1.400   0.762  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.174  -2.362   0.856  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.964  -2.449  -0.054  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.327  -3.122   1.952  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.463  -4.026   1.974  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.472  -4.803   3.292  1.00  0.00           C  
HETATM   50  H   UNL     1       3.809   0.976  -1.021  1.00  0.00           H  
HETATM   51  H   UNL     1       6.527  -1.470   1.389  1.00  0.00           H  
HETATM   52  H   UNL     1       5.601  -2.734   0.543  1.00  0.00           H  
HETATM   53  H   UNL     1       8.648  -0.684   0.509  1.00  0.00           H  
HETATM   54  H   UNL     1       6.435  -3.718  -1.511  1.00  0.00           H  
HETATM   55  H   UNL     1      10.627  -1.220  -0.854  1.00  0.00           H  
HETATM   56  H   UNL     1      10.509  -3.002  -2.549  1.00  0.00           H  
HETATM   57  H   UNL     1       8.411  -4.248  -2.881  1.00  0.00           H  
HETATM   58  H   UNL     1       2.289   0.721   1.483  1.00  0.00           H  
HETATM   59  H   UNL     1       2.000   2.576  -0.923  1.00  0.00           H  
HETATM   60  H   UNL     1       0.954   2.623   0.516  1.00  0.00           H  
HETATM   61  H   UNL     1       5.516   4.972  -0.084  1.00  0.00           H  
HETATM   62  H   UNL     1       6.147   5.385   1.528  1.00  0.00           H  
HETATM   63  H   UNL     1       5.487   3.761   1.220  1.00  0.00           H  
HETATM   64  H   UNL     1       2.866   7.139   1.378  1.00  0.00           H  
HETATM   65  H   UNL     1       4.616   7.358   1.621  1.00  0.00           H  
HETATM   66  H   UNL     1       3.986   6.945   0.008  1.00  0.00           H  
HETATM   67  H   UNL     1       3.915   4.034   3.143  1.00  0.00           H  
HETATM   68  H   UNL     1       4.575   5.658   3.451  1.00  0.00           H  
HETATM   69  H   UNL     1       2.825   5.439   3.209  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.339   0.874   0.908  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.985  -0.780  -1.410  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.405  -1.751   1.451  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.130  -2.506   0.011  1.00  0.00           H  
HETATM   74  H   UNL     1       0.985  -1.889   1.856  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.756  -3.704  -1.588  1.00  0.00           H  
HETATM   76  H   UNL     1       3.058  -3.163   1.480  1.00  0.00           H  
HETATM   77  H   UNL     1       3.226  -4.704  -0.433  1.00  0.00           H  
HETATM   78  H   UNL     1       1.320  -4.972  -1.969  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.624  -1.340  -1.052  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.911   0.979   0.190  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.138   1.755  -2.080  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.130   0.470  -2.810  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.013  -0.112  -0.649  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.016  -1.384  -1.393  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.138   1.456  -1.579  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.578   2.861  -3.771  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.267   2.250  -3.794  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.653   4.927  -3.401  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.101   4.153  -2.691  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.393   5.180  -0.931  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.080  -1.952   0.833  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.078  -0.679   1.577  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.386  -3.452   1.884  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.388  -4.725   1.140  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.325  -5.481   3.308  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.549  -5.377   3.381  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.547  -4.104   4.125  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   51   52                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   53                                       
CONECT    7    6    6    8   55                                       
CONECT    8    7    9    9   56                                       
CONECT    9    8    8   10   57                                       
CONECT   10    5    5    9   54                                       
CONECT   11    2   12   50                                            
CONECT   12   11   13   21   58                                       
CONECT   13   12   14   59   60                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17   61   62   63                                       
CONECT   19   17   64   65   66                                       
CONECT   20   17   67   68   69                                       
CONECT   21   12   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   70                                            
CONECT   24   23   25   32   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26   25   27   31   31                                       
CONECT   27   26   28   28   74                                       
CONECT   28   27   27   29   76                                       
CONECT   29   28   30   30   77                                       
CONECT   30   29   29   31   78                                       
CONECT   31   26   26   30   75                                       
CONECT   32   24   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   79                                            
CONECT   35   34   36   43   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   41   85                                       
CONECT   38   37   39   86   87                                       
CONECT   39   38   40   88   89                                       
CONECT   40   39   41   90                                            
CONECT   41   37   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   35   44   83   84                                       
CONECT   44   43   45   91   92                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48                                                 
CONECT   48   47   49   93   94                                       
CONECT   49   48   95   96   97                                       
CONECT   50   11                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54   10                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   31                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
