COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.481   3.546  -0.243  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.791   3.804   0.106  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.675   5.193   0.091  1.00  0.00           C  
HETATM    4  C   UNL     1       0.578   5.767  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.140  -4.811  -2.068  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.511  -6.222  -2.015  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.110  -6.016  -1.411  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.951  -4.565  -1.168  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.327  -4.029  -1.006  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.144  -4.318   0.034  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.793  -2.831   0.115  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.987  -2.068   0.298  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.850  -0.722   0.390  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.979   0.113   0.572  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.790   1.513   0.663  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.909   2.342   0.843  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.152   1.792   0.927  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.334   0.415   0.837  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.272  -0.420   0.663  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.557   2.027   0.577  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.502   1.256   0.408  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.616  -0.134   0.315  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.242   1.840   0.325  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.121   3.182   0.309  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.103   3.882   0.460  1.00  0.00           O  
HETATM   26  N   UNL     1       0.273   3.034  -0.058  1.00  0.00           N  
HETATM   27  C   UNL     1       1.673   4.926  -0.270  1.00  0.00           C  
HETATM   28  O   UNL     1       0.728   7.117  -0.122  1.00  0.00           O  
HETATM   29  C   UNL     1       2.051   7.619  -0.323  1.00  0.00           C  
HETATM   30  C   UNL     1       2.022   9.149  -0.317  1.00  0.00           C  
HETATM   31  N   UNL     1       1.624   9.625   1.015  1.00  0.00           N  
HETATM   32  C   UNL     1       2.641   2.641  -0.416  1.00  0.00           C  
HETATM   33  O   UNL     1       3.752   3.103  -0.586  1.00  0.00           O  
HETATM   34  N   UNL     1       2.465   1.305  -0.386  1.00  0.00           N  
HETATM   35  C   UNL     1       3.565   0.456  -0.442  1.00  0.00           C  
HETATM   36  C   UNL     1       3.372  -0.921  -0.301  1.00  0.00           C  
HETATM   37  C   UNL     1       4.446  -1.769  -0.354  1.00  0.00           C  
HETATM   38  C   UNL     1       5.731  -1.208  -0.553  1.00  0.00           C  
HETATM   39  C   UNL     1       5.854   0.196  -0.688  1.00  0.00           C  
HETATM   40  N   UNL     1       4.764   0.970  -0.632  1.00  0.00           N  
HETATM   41  C   UNL     1       7.128   0.754  -0.885  1.00  0.00           C  
HETATM   42  C   UNL     1       8.220  -0.059  -0.943  1.00  0.00           C  
HETATM   43  C   UNL     1       8.095  -1.439  -0.810  1.00  0.00           C  
HETATM   44  C   UNL     1       6.875  -2.014  -0.617  1.00  0.00           C  
HETATM   45  O   UNL     1       4.284  -3.108  -0.220  1.00  0.00           O  
HETATM   46  C   UNL     1       2.951  -3.584  -0.022  1.00  0.00           C  
HETATM   47  C   UNL     1       2.968  -5.108   0.107  1.00  0.00           C  
HETATM   48  N   UNL     1       3.700  -5.489   1.322  1.00  0.00           N  
HETATM   49  C   UNL     1       3.537  -6.926   1.610  1.00  0.00           C  
HETATM   50  C   UNL     1       4.950  -7.542   1.676  1.00  0.00           C  
HETATM   51  C   UNL     1       5.851  -6.319   1.985  1.00  0.00           C  
HETATM   52  C   UNL     1       5.143  -5.198   1.184  1.00  0.00           C  
HETATM   53  H   UNL     1      -1.547   5.816   0.225  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.010  -4.368  -3.056  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.196  -4.848  -1.799  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.105  -6.877  -1.378  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.434  -6.640  -3.019  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.027  -6.561  -0.470  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.349  -6.364  -2.109  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.350  -2.960  -1.214  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.705  -4.236  -0.004  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.713  -4.606   0.919  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.228  -4.906  -0.016  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.122  -2.662   0.957  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.303  -2.523  -0.808  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.784   3.413   0.915  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.009   2.434   1.066  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.330   0.003   0.907  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.425  -1.487   0.595  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.734  -0.742   0.177  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.451   1.281   0.278  1.00  0.00           H  
HETATM   72  H   UNL     1       2.661   5.338  -0.420  1.00  0.00           H  
HETATM   73  H   UNL     1       2.700   7.265   0.477  1.00  0.00           H  
HETATM   74  H   UNL     1       2.431   7.267  -1.283  1.00  0.00           H  
HETATM   75  H   UNL     1       3.013   9.532  -0.559  1.00  0.00           H  
HETATM   76  H   UNL     1       1.305   9.502  -1.058  1.00  0.00           H  
HETATM   77  H   UNL     1       1.597  10.633   1.045  1.00  0.00           H  
HETATM   78  H   UNL     1       0.736   9.232   1.289  1.00  0.00           H  
HETATM   79  H   UNL     1       1.570   0.935  -0.325  1.00  0.00           H  
HETATM   80  H   UNL     1       2.378  -1.315  -0.150  1.00  0.00           H  
HETATM   81  H   UNL     1       7.242   1.822  -0.990  1.00  0.00           H  
HETATM   82  H   UNL     1       9.198   0.375  -1.095  1.00  0.00           H  
HETATM   83  H   UNL     1       8.977  -2.061  -0.860  1.00  0.00           H  
HETATM   84  H   UNL     1       6.790  -3.086  -0.515  1.00  0.00           H  
HETATM   85  H   UNL     1       2.540  -3.146   0.888  1.00  0.00           H  
HETATM   86  H   UNL     1       2.334  -3.298  -0.874  1.00  0.00           H  
HETATM   87  H   UNL     1       1.944  -5.479   0.169  1.00  0.00           H  
HETATM   88  H   UNL     1       3.459  -5.542  -0.764  1.00  0.00           H  
HETATM   89  H   UNL     1       3.030  -7.057   2.566  1.00  0.00           H  
HETATM   90  H   UNL     1       2.959  -7.399   0.816  1.00  0.00           H  
HETATM   91  H   UNL     1       5.012  -8.279   2.476  1.00  0.00           H  
HETATM   92  H   UNL     1       5.219  -7.991   0.719  1.00  0.00           H  
HETATM   93  H   UNL     1       5.853  -6.095   3.052  1.00  0.00           H  
HETATM   94  H   UNL     1       6.866  -6.478   1.620  1.00  0.00           H  
HETATM   95  H   UNL     1       5.439  -5.235   0.136  1.00  0.00           H  
HETATM   96  H   UNL     1       5.376  -4.222   1.611  1.00  0.00           H  
CONECT    1   32   27   27   26                                       
CONECT    2   26   26    3   24                                       
CONECT    3    4    4    2   53                                       
CONECT    4   27   28    3    3                                       
CONECT    5    9    6   54   55                                       
CONECT    6    5    7   56   57                                       
CONECT    7    8    6   58   59                                       
CONECT    8    9   10    7                                            
CONECT    9    8    5   60   61                                       
CONECT   10    8   11   62   63                                       
CONECT   11   12   10   64   65                                       
CONECT   12   13   11                                                 
CONECT   13   22   22   14   12                                       
CONECT   14   15   13   19   19                                       
CONECT   15   20   16   16   14                                       
CONECT   16   15   15   17   66                                       
CONECT   17   16   18   18   67                                       
CONECT   18   17   17   19   68                                       
CONECT   19   14   14   18   69                                       
CONECT   20   21   21   15                                            
CONECT   21   23   20   20   22                                       
CONECT   22   21   13   13   70                                       
CONECT   23   24   21   71                                            
CONECT   24    2   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26    1    2    2                                            
CONECT   27    1    1    4   72                                       
CONECT   28   29    4                                                 
CONECT   29   30   28   73   74                                       
CONECT   30   31   29   75   76                                       
CONECT   31   30   77   78                                            
CONECT   32   33   33   34    1                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   79                                            
CONECT   35   36   34   40   40                                       
CONECT   36   37   37   35   80                                       
CONECT   37   45   36   36   38                                       
CONECT   38   37   44   44   39                                       
CONECT   39   38   40   41   41                                       
CONECT   40   35   35   39                                            
CONECT   41   39   39   42   81                                       
CONECT   42   43   43   41   82                                       
CONECT   43   44   42   42   83                                       
CONECT   44   38   38   43   84                                       
CONECT   45   46   37                                                 
CONECT   46   47   45   85   86                                       
CONECT   47   48   46   87   88                                       
CONECT   48   52   49   47                                            
CONECT   49   50   48   89   90                                       
CONECT   50   51   49   91   92                                       
CONECT   51   50   52   93   94                                       
CONECT   52   51   48   95   96                                       
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
CONECT   90   49                                                      
CONECT   91   50                                                      
CONECT   92   50                                                      
CONECT   93   51                                                      
CONECT   94   51                                                      
CONECT   95   52                                                      
CONECT   96   52                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
