COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.733  -2.390  -3.131  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.036  -1.989  -1.843  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.782  -0.845  -1.633  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.112  -0.407  -0.229  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.013   0.524   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.601   1.858   1.679  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.261  -0.233   0.218  1.00  0.00           C  
HETATM    8  C   UNL     1       1.026   0.353  -0.387  1.00  0.00           C  
HETATM    9  C   UNL     1       8.163   0.732  -1.721  1.00  0.00           C  
HETATM   10  C   UNL     1       9.393   1.535  -1.286  1.00  0.00           C  
HETATM   11  O   UNL     1       9.561   1.411   0.128  1.00  0.00           O  
HETATM   12  C   UNL     1       8.434   1.865   0.884  1.00  0.00           C  
HETATM   13  C   UNL     1       7.195   1.066   0.472  1.00  0.00           C  
HETATM   14  N   UNL     1       6.987   1.207  -0.977  1.00  0.00           N  
HETATM   15  C   UNL     1       5.773   0.500  -1.406  1.00  0.00           C  
HETATM   16  C   UNL     1       4.563   1.172  -0.810  1.00  0.00           C  
HETATM   17  O   UNL     1       4.699   2.145  -0.098  1.00  0.00           O  
HETATM   18  N   UNL     1       3.330   0.693  -1.068  1.00  0.00           N  
HETATM   19  C   UNL     1       2.154   1.347  -0.488  1.00  0.00           C  
HETATM   20  C   UNL     1       1.728   2.514  -1.381  1.00  0.00           C  
HETATM   21  O   UNL     1       1.188  -0.789  -0.763  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.164   0.733   0.120  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.126  -1.027   1.518  1.00  0.00           C  
HETATM   24  C   UNL     1       0.132  -1.856   1.472  1.00  0.00           C  
HETATM   25  C   UNL     1       0.096  -3.138   0.957  1.00  0.00           C  
HETATM   26  C   UNL     1       1.247  -3.900   0.914  1.00  0.00           C  
HETATM   27  C   UNL     1       2.441  -3.377   1.388  1.00  0.00           C  
HETATM   28  O   UNL     1       3.576  -4.124   1.346  1.00  0.00           O  
HETATM   29  C   UNL     1       4.769  -3.521   1.851  1.00  0.00           C  
HETATM   30  C   UNL     1       2.476  -2.090   1.904  1.00  0.00           C  
HETATM   31  C   UNL     1       1.322  -1.330   1.941  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.577   0.500   0.211  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.598   1.710   0.132  1.00  0.00           O  
HETATM   34  N   UNL     1      -3.733  -0.189   0.293  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.178  -1.647  -4.208  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.925  -0.503  -3.998  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.227  -0.102  -2.710  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.352   0.975   1.709  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.256   1.718   2.247  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.851   2.435   3.073  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.394   3.001   0.683  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.728   1.076   1.278  1.00  0.00           O  
HETATM   43  H   UNL     1      -4.146  -3.281  -3.295  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.689  -2.569  -1.001  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.066   0.120  -0.227  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.180  -1.282   0.418  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.940   1.395  -0.364  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.220  -0.915  -0.631  1.00  0.00           H  
HETATM   49  H   UNL     1       7.998   0.870  -2.789  1.00  0.00           H  
HETATM   50  H   UNL     1       8.325  -0.325  -1.510  1.00  0.00           H  
HETATM   51  H   UNL     1      10.277   1.148  -1.793  1.00  0.00           H  
HETATM   52  H   UNL     1       9.253   2.584  -1.546  1.00  0.00           H  
HETATM   53  H   UNL     1       8.625   1.717   1.947  1.00  0.00           H  
HETATM   54  H   UNL     1       8.267   2.924   0.688  1.00  0.00           H  
HETATM   55  H   UNL     1       7.342   0.014   0.717  1.00  0.00           H  
HETATM   56  H   UNL     1       6.323   1.446   1.004  1.00  0.00           H  
HETATM   57  H   UNL     1       5.703   0.524  -2.493  1.00  0.00           H  
HETATM   58  H   UNL     1       5.817  -0.535  -1.068  1.00  0.00           H  
HETATM   59  H   UNL     1       3.222  -0.084  -1.637  1.00  0.00           H  
HETATM   60  H   UNL     1       2.399   1.721   0.506  1.00  0.00           H  
HETATM   61  H   UNL     1       0.853   3.000  -0.950  1.00  0.00           H  
HETATM   62  H   UNL     1       2.544   3.233  -1.454  1.00  0.00           H  
HETATM   63  H   UNL     1       1.483   2.140  -2.375  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.293   1.647   0.420  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.077  -0.338   2.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.989  -1.683   1.635  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.834  -3.545   0.588  1.00  0.00           H  
HETATM   68  H   UNL     1       1.218  -4.902   0.511  1.00  0.00           H  
HETATM   69  H   UNL     1       4.991  -2.619   1.280  1.00  0.00           H  
HETATM   70  H   UNL     1       4.628  -3.261   2.901  1.00  0.00           H  
HETATM   71  H   UNL     1       5.598  -4.222   1.759  1.00  0.00           H  
HETATM   72  H   UNL     1       3.404  -1.680   2.274  1.00  0.00           H  
HETATM   73  H   UNL     1       1.349  -0.327   2.339  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.717  -1.157   0.356  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.942  -1.960  -5.215  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.272   0.078  -4.840  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.810   0.792  -2.546  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.540   0.101   2.332  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.429   1.219   2.295  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.991   3.032   3.379  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.741   3.065   3.052  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.998   1.621   3.783  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.216   2.590  -0.310  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.284   3.630   0.662  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.535   3.598   0.989  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.557   1.572   1.237  1.00  0.00           H  
CONECT    1   35   35    2   43                                       
CONECT    2    1    3    3   44                                       
CONECT    3    2    2   37    4                                       
CONECT    4    3    5   45   46                                       
CONECT    5   34    4   38   47                                       
CONECT    6   41   42   38   40                                       
CONECT    7   22   23   32   48                                       
CONECT    8   19   21   21   22                                       
CONECT    9   10   14   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   53   54                                       
CONECT   13   14   12   55   56                                       
CONECT   14    9   15   13                                            
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   59                                            
CONECT   19   18   20    8   60                                       
CONECT   20   19   61   62   63                                       
CONECT   21    8    8                                                 
CONECT   22    8    7   64                                            
CONECT   23   24    7   65   66                                       
CONECT   24   25   23   31   31                                       
CONECT   25   26   26   24   67                                       
CONECT   26   25   25   27   68                                       
CONECT   27   26   28   30   30                                       
CONECT   28   27   29                                                 
CONECT   29   28   69   70   71                                       
CONECT   30   27   27   31   72                                       
CONECT   31   24   24   30   73                                       
CONECT   32    7   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32    5   74                                            
CONECT   35    1    1   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   36   36    3   77                                       
CONECT   38    5    6   39   78                                       
CONECT   39   38   79                                                 
CONECT   40    6   80   81   82                                       
CONECT   41    6   83   84   85                                       
CONECT   42    6   86                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
