COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.646  -1.028  -0.399  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.749  -1.934   0.401  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.883  -0.390  -0.977  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.076  -1.038  -0.418  1.00  0.00           N  
HETATM    5  O   UNL     1      -9.564  -2.337  -0.538  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.172  -2.437  -0.861  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.294  -0.295  -0.772  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.394  -3.091  -0.209  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.504  -0.970  -0.120  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.426  -0.588  -0.765  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.224  -1.204  -0.198  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.084  -0.220  -0.247  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.259   0.887  -0.709  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.858  -2.449  -1.009  1.00  0.00           C  
HETATM   15  N   UNL     1       0.129  -0.570   0.224  1.00  0.00           N  
HETATM   16  C   UNL     1       1.237   0.387   0.177  1.00  0.00           C  
HETATM   17  C   UNL     1       1.182   1.292   1.410  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.070   2.129   1.363  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.053   3.362   0.737  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.199   4.131   0.693  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.369   3.666   1.276  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.498   4.421   1.233  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.665   3.878   1.855  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.383   2.428   1.903  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.235   1.661   1.940  1.00  0.00           C  
HETATM   26  C   UNL     1       2.546  -0.360   0.161  1.00  0.00           C  
HETATM   27  O   UNL     1       2.552  -1.573   0.186  1.00  0.00           O  
HETATM   28  N   UNL     1       3.709   0.319   0.118  1.00  0.00           N  
HETATM   29  C   UNL     1       4.981  -0.407   0.102  1.00  0.00           C  
HETATM   30  C   UNL     1       5.397  -0.739   1.536  1.00  0.00           C  
HETATM   31  O   UNL     1       4.345  -1.457   2.183  1.00  0.00           O  
HETATM   32  C   UNL     1       6.662  -1.599   1.514  1.00  0.00           C  
HETATM   33  C   UNL     1       6.348  -2.953   0.874  1.00  0.00           C  
HETATM   34  C   UNL     1       7.157  -1.815   2.946  1.00  0.00           C  
HETATM   35  O   UNL     1       8.388  -2.541   2.920  1.00  0.00           O  
HETATM   36  C   UNL     1       6.057   0.462  -0.553  1.00  0.00           C  
HETATM   37  C   UNL     1       5.696   0.706  -1.995  1.00  0.00           C  
HETATM   38  C   UNL     1       6.129  -0.170  -2.974  1.00  0.00           C  
HETATM   39  C   UNL     1       5.799   0.054  -4.297  1.00  0.00           C  
HETATM   40  C   UNL     1       5.036   1.153  -4.642  1.00  0.00           C  
HETATM   41  C   UNL     1       4.602   2.029  -3.664  1.00  0.00           C  
HETATM   42  C   UNL     1       4.928   1.802  -2.340  1.00  0.00           C  
HETATM   43  H   UNL     1      -5.895   0.671  -0.728  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.879  -0.508  -2.061  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.278  -2.469  -1.946  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.271  -2.975  -0.567  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.212   0.730  -0.412  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.418  -0.293  -1.855  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.263  -3.107   0.873  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.502  -4.110  -0.579  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.416  -0.456  -0.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.406  -0.925   0.964  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.344   0.137  -1.405  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.415  -1.488   0.837  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.667  -2.165  -2.044  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.964  -2.908  -0.587  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.682  -3.161  -0.974  1.00  0.00           H  
HETATM   58  H   UNL     1       0.269  -1.456   0.595  1.00  0.00           H  
HETATM   59  H   UNL     1       1.154   0.995  -0.724  1.00  0.00           H  
HETATM   60  H   UNL     1       1.176   0.679   2.311  1.00  0.00           H  
HETATM   61  H   UNL     1       2.055   1.944   1.421  1.00  0.00           H  
HETATM   62  H   UNL     1       0.858   3.724   0.283  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.248   0.695   2.425  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.185   5.095   0.205  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.292   2.064   2.358  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.925   2.934   1.377  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.467   3.707   2.913  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.492   4.580   1.749  1.00  0.00           H  
HETATM   69  H   UNL     1       5.595   0.184   2.080  1.00  0.00           H  
HETATM   70  H   UNL     1       3.704   1.289   0.098  1.00  0.00           H  
HETATM   71  H   UNL     1       4.865  -1.331  -0.466  1.00  0.00           H  
HETATM   72  H   UNL     1       5.575  -3.458   1.453  1.00  0.00           H  
HETATM   73  H   UNL     1       5.995  -2.799  -0.146  1.00  0.00           H  
HETATM   74  H   UNL     1       7.249  -3.566   0.858  1.00  0.00           H  
HETATM   75  H   UNL     1       7.315  -0.849   3.425  1.00  0.00           H  
HETATM   76  H   UNL     1       6.413  -2.382   3.506  1.00  0.00           H  
HETATM   77  H   UNL     1       8.761  -2.714   3.795  1.00  0.00           H  
HETATM   78  H   UNL     1       6.122   1.416  -0.028  1.00  0.00           H  
HETATM   79  H   UNL     1       7.018  -0.048  -0.500  1.00  0.00           H  
HETATM   80  H   UNL     1       6.726  -1.028  -2.704  1.00  0.00           H  
HETATM   81  H   UNL     1       6.138  -0.630  -5.061  1.00  0.00           H  
HETATM   82  H   UNL     1       4.778   1.329  -5.677  1.00  0.00           H  
HETATM   83  H   UNL     1       4.005   2.888  -3.934  1.00  0.00           H  
HETATM   84  H   UNL     1       4.586   2.484  -1.576  1.00  0.00           H  
HETATM   85  H   UNL     1       3.510  -0.971   2.233  1.00  0.00           H  
HETATM   86  H   UNL     1       7.435  -1.094   0.935  1.00  0.00           H  
CONECT    1    3    2    2   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   43   44                                       
CONECT    4    3    6    7                                            
CONECT    5    8    9                                                 
CONECT    6    4    8   45   46                                       
CONECT    7    4    9   47   48                                       
CONECT    8    6    5   49   50                                       
CONECT    9    5    7   51   52                                       
CONECT   10    1   11   53                                            
CONECT   11   10   14   12   54                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12                                                 
CONECT   14   11   55   56   57                                       
CONECT   15   12   16   58                                            
CONECT   16   15   17   26   59                                       
CONECT   17   18   16   60   61                                       
CONECT   18   19   17   25   25                                       
CONECT   19   20   20   18   62                                       
CONECT   20   19   19   21   64                                       
CONECT   21   20   22   24   24                                       
CONECT   22   23   21                                                 
CONECT   23   22   66   67   68                                       
CONECT   24   21   21   25   65                                       
CONECT   25   18   18   24   63                                       
CONECT   26   16   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   70                                            
CONECT   29   28   36   30   71                                       
CONECT   30   29   32   31   69                                       
CONECT   31   30   85                                                 
CONECT   32   33   34   30   86                                       
CONECT   33   32   72   73   74                                       
CONECT   34   35   32   75   76                                       
CONECT   35   34   77                                                 
CONECT   36   29   37   78   79                                       
CONECT   37   38   38   36   42                                       
CONECT   38   39   37   37   80                                       
CONECT   39   40   40   38   81                                       
CONECT   40   39   39   41   82                                       
CONECT   41   40   42   42   83                                       
CONECT   42   37   41   41   84                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   25                                                      
CONECT   64   20                                                      
CONECT   65   24                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   30                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
