COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.859   0.953   0.876  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.880   1.662   1.816  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.064   0.056   1.096  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.064  -0.634   0.164  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.026   4.644  -2.511  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.682   2.474   1.106  1.00  0.00           C  
HETATM    7  C   UNL     1       7.113   1.698  -0.366  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.343   2.238   0.534  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.872   3.046  -0.505  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.618   2.823  -1.037  1.00  0.00           C  
HETATM   11  C   UNL     1       0.177   1.790  -0.536  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.291   0.987   0.497  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.540   1.210   1.035  1.00  0.00           C  
HETATM   14  C   UNL     1       2.421   0.945  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1       3.083   0.094   1.729  1.00  0.00           C  
HETATM   16  C   UNL     1       4.312  -0.246   1.180  1.00  0.00           C  
HETATM   17  C   UNL     1       4.532   0.028  -0.171  1.00  0.00           C  
HETATM   18  C   UNL     1       6.050  -1.696  -0.848  1.00  0.00           C  
HETATM   19  C   UNL     1       6.170  -2.327  -2.078  1.00  0.00           C  
HETATM   20  C   UNL     1       6.457  -3.806   0.256  1.00  0.00           C  
HETATM   21  O   UNL     1       6.927  -2.151   2.495  1.00  0.00           O  
HETATM   22  C   UNL     1       6.143  -1.776   1.645  1.00  0.00           C  
HETATM   23  N   UNL     1       5.299  -0.812   1.985  1.00  0.00           N  
HETATM   24  C   UNL     1       5.417  -0.287   3.348  1.00  0.00           C  
HETATM   25  N   UNL     1       2.171   0.675   0.962  1.00  0.00           N  
HETATM   26  C   UNL     1       6.214  -2.431   0.334  1.00  0.00           C  
HETATM   27  C   UNL     1       6.557  -4.421  -0.973  1.00  0.00           C  
HETATM   28  C   UNL     1       6.422  -3.683  -2.138  1.00  0.00           C  
HETATM   29  N   UNL     1       5.715  -0.346  -0.792  1.00  0.00           N  
HETATM   30  C   UNL     1       6.598   0.664  -1.380  1.00  0.00           C  
HETATM   31  N   UNL     1       3.580   0.633  -0.873  1.00  0.00           N  
HETATM   32  N   UNL     1       1.444   1.564  -1.074  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.470  -0.522   0.757  1.00  0.00           C  
HETATM   34  C   UNL     1       5.845   1.821  -2.059  1.00  0.00           C  
HETATM   35  C   UNL     1       5.861   2.529  -0.692  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.159   3.607  -2.048  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.038   3.605   1.374  1.00  0.00           O  
HETATM   38  N   UNL     1      -4.511   1.436   1.331  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.427  -1.212  -0.118  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.085  -2.634  -0.256  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.056  -3.298  -1.235  1.00  0.00           C  
HETATM   42  N   UNL     1      -9.431  -3.135  -0.743  1.00  0.00           N  
HETATM   43  C   UNL     1      -9.774  -1.713  -0.606  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.803  -1.049   0.374  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.388  -3.825  -1.619  1.00  0.00           C  
HETATM   46  H   UNL     1      -7.870   1.032   1.276  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.821   1.420  -0.109  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.091   2.731   1.827  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.982   1.257   2.823  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.018  -0.480   2.044  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.078   0.066   0.632  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.042  -0.153  -0.814  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.797  -1.686   0.057  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.539   5.193  -3.316  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.953   4.205  -2.879  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.248   5.325  -1.689  1.00  0.00           H  
HETATM   57  H   UNL     1       7.138   1.329   0.660  1.00  0.00           H  
HETATM   58  H   UNL     1       8.045   2.177  -0.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.489   3.845  -0.891  1.00  0.00           H  
HETATM   60  H   UNL     1       0.327   0.189   0.882  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.900   0.587   1.840  1.00  0.00           H  
HETATM   62  H   UNL     1       2.873  -0.111   2.768  1.00  0.00           H  
HETATM   63  H   UNL     1       6.067  -1.757  -2.990  1.00  0.00           H  
HETATM   64  H   UNL     1       6.567  -4.386   1.160  1.00  0.00           H  
HETATM   65  H   UNL     1       4.774  -0.860   4.015  1.00  0.00           H  
HETATM   66  H   UNL     1       6.452  -0.369   3.681  1.00  0.00           H  
HETATM   67  H   UNL     1       5.113   0.760   3.361  1.00  0.00           H  
HETATM   68  H   UNL     1       6.742  -5.483  -1.028  1.00  0.00           H  
HETATM   69  H   UNL     1       6.514  -4.172  -3.097  1.00  0.00           H  
HETATM   70  H   UNL     1       7.384   0.230  -1.999  1.00  0.00           H  
HETATM   71  H   UNL     1       1.641   1.841  -1.983  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.485  -0.982   1.745  1.00  0.00           H  
HETATM   73  H   UNL     1       6.430   2.334  -2.822  1.00  0.00           H  
HETATM   74  H   UNL     1       4.846   1.550  -2.400  1.00  0.00           H  
HETATM   75  H   UNL     1       5.002   2.288  -0.065  1.00  0.00           H  
HETATM   76  H   UNL     1       6.051   3.600  -0.758  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.067  -2.728  -0.633  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.159  -3.122   0.716  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.962  -2.828  -2.215  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.821  -4.359  -1.317  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.700  -1.225  -1.578  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.792  -1.619  -0.228  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.896  -1.519   1.353  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.037   0.012   0.455  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.151  -4.889  -1.650  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.398  -3.689  -1.232  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.326  -3.409  -2.624  1.00  0.00           H  
CONECT    1   33    2   46   47                                       
CONECT    2    1   38   48   49                                       
CONECT    3   38    4   50   51                                       
CONECT    4   33    3   52   53                                       
CONECT    5   36   54   55   56                                       
CONECT    6    8   38   37   37                                       
CONECT    7   30   35   57   58                                       
CONECT    8    9    6   13   13                                       
CONECT    9   10   10    8   59                                       
CONECT   10   36    9    9   11                                       
CONECT   11   10   32   12   12                                       
CONECT   12   11   11   13   60                                       
CONECT   13    8    8   12   61                                       
CONECT   14   25   32   31   31                                       
CONECT   15   25   25   16   62                                       
CONECT   16   15   23   17   17                                       
CONECT   17   16   16   31   29                                       
CONECT   18   29   26   26   19                                       
CONECT   19   18   28   28   63                                       
CONECT   20   26   27   27   64                                       
CONECT   21   22   22                                                 
CONECT   22   23   21   21   26                                       
CONECT   23   24   16   22                                            
CONECT   24   23   65   66   67                                       
CONECT   25   15   15   14                                            
CONECT   26   22   18   18   20                                       
CONECT   27   20   20   28   68                                       
CONECT   28   19   19   27   69                                       
CONECT   29   17   18   30                                            
CONECT   30   29   34    7   70                                       
CONECT   31   14   14   17                                            
CONECT   32   11   14   71                                            
CONECT   33    1   39    4   72                                       
CONECT   34   30   35   73   74                                       
CONECT   35   34    7   75   76                                       
CONECT   36    5   10                                                 
CONECT   37    6    6                                                 
CONECT   38    2    3    6                                            
CONECT   39   44   33   40                                            
CONECT   40   39   41   77   78                                       
CONECT   41   42   40   79   80                                       
CONECT   42   43   45   41                                            
CONECT   43   44   42   81   82                                       
CONECT   44   43   39   83   84                                       
CONECT   45   42   85   86   87                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
