COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.844   3.198  -0.462  1.00  0.00           O  
HETATM    2  C   UNL     1       3.392   1.984  -0.815  1.00  0.00           C  
HETATM    3  O   UNL     1       2.734   1.853  -1.820  1.00  0.00           O  
HETATM    4  C   UNL     1       3.707   0.781   0.045  1.00  0.00           C  
HETATM    5  C   UNL     1       3.140   0.989   1.445  1.00  0.00           C  
HETATM    6  C   UNL     1       1.645   1.301   1.386  1.00  0.00           C  
HETATM    7  C   UNL     1       0.860   0.218   0.662  1.00  0.00           C  
HETATM    8  C   UNL     1       0.712  -0.958   1.640  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.554   0.710   0.314  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.387   1.988  -0.528  1.00  0.00           C  
HETATM   11  C   UNL     1       5.227   0.633   0.101  1.00  0.00           C  
HETATM   12  C   UNL     1       5.617  -0.634   0.859  1.00  0.00           C  
HETATM   13  C   UNL     1       5.019  -1.846   0.141  1.00  0.00           C  
HETATM   14  C   UNL     1       5.431  -3.126   0.868  1.00  0.00           C  
HETATM   15  C   UNL     1       3.490  -1.723   0.154  1.00  0.00           C  
HETATM   16  C   UNL     1       2.896  -2.956  -0.532  1.00  0.00           C  
HETATM   17  C   UNL     1       3.069  -0.457  -0.583  1.00  0.00           C  
HETATM   18  C   UNL     1       1.561  -0.302  -0.555  1.00  0.00           C  
HETATM   19  C   UNL     1       0.925  -0.662  -1.643  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.553  -0.511  -1.855  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.255  -0.362  -0.506  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.762  -0.166  -0.685  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.065   0.951  -1.676  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.338  -1.476  -1.254  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.856  -1.365  -1.358  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.465  -1.179   0.025  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.883  -1.021  -0.098  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.889   0.038   0.750  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.545   1.316   0.228  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.302  -0.106   2.236  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.381   0.081   0.684  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.790   1.357   1.285  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.309   1.074   1.585  1.00  0.00           C  
HETATM   34  H   UNL     1       3.618   3.937  -1.043  1.00  0.00           H  
HETATM   35  H   UNL     1       3.311   0.100   2.051  1.00  0.00           H  
HETATM   36  H   UNL     1       3.659   1.832   1.916  1.00  0.00           H  
HETATM   37  H   UNL     1       1.278   1.345   2.431  1.00  0.00           H  
HETATM   38  H   UNL     1       1.500   2.292   0.975  1.00  0.00           H  
HETATM   39  H   UNL     1       0.116  -0.645   2.498  1.00  0.00           H  
HETATM   40  H   UNL     1       0.218  -1.789   1.137  1.00  0.00           H  
HETATM   41  H   UNL     1       1.699  -1.275   1.980  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.367   2.422  -0.727  1.00  0.00           H  
HETATM   43  H   UNL     1       0.224   2.706   0.018  1.00  0.00           H  
HETATM   44  H   UNL     1       0.099   1.740  -1.472  1.00  0.00           H  
HETATM   45  H   UNL     1       5.616   0.578  -0.918  1.00  0.00           H  
HETATM   46  H   UNL     1       5.655   1.504   0.598  1.00  0.00           H  
HETATM   47  H   UNL     1       6.704  -0.725   0.880  1.00  0.00           H  
HETATM   48  H   UNL     1       5.237  -0.587   1.878  1.00  0.00           H  
HETATM   49  H   UNL     1       5.373  -1.877  -0.888  1.00  0.00           H  
HETATM   50  H   UNL     1       5.064  -3.095   1.895  1.00  0.00           H  
HETATM   51  H   UNL     1       5.004  -3.989   0.356  1.00  0.00           H  
HETATM   52  H   UNL     1       6.518  -3.208   0.873  1.00  0.00           H  
HETATM   53  H   UNL     1       3.161  -1.691   1.191  1.00  0.00           H  
HETATM   54  H   UNL     1       3.202  -3.854   0.005  1.00  0.00           H  
HETATM   55  H   UNL     1       1.809  -2.884  -0.531  1.00  0.00           H  
HETATM   56  H   UNL     1       3.256  -3.008  -1.560  1.00  0.00           H  
HETATM   57  H   UNL     1       3.399  -0.530  -1.631  1.00  0.00           H  
HETATM   58  H   UNL     1       1.516  -1.064  -2.454  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.735   0.329  -2.516  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.921  -1.420  -2.349  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.146  -1.336   0.017  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.466   0.812  -2.576  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.123   0.928  -1.938  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.824   1.914  -1.225  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.913  -1.651  -2.241  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.072  -2.296  -0.588  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.149  -0.555  -2.019  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.243  -2.300  -1.788  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.269  -2.073   0.628  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.329  -1.775  -0.508  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.599   1.322   0.504  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.049   2.183   0.665  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.453   1.354  -0.858  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.891  -1.032   2.638  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.916   0.740   2.805  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.389  -0.129   2.311  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.014  -0.753   1.335  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.881   2.202   0.617  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.285   1.592   2.230  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.281   0.277   2.324  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.871   1.974   2.026  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2   17    5   11                                       
CONECT    5    6    4   35   36                                       
CONECT    6    7    5   37   38                                       
CONECT    7    9   18    6    8                                       
CONECT    8    7   39   40   41                                       
CONECT    9   10   21    7   33                                       
CONECT   10    9   42   43   44                                       
CONECT   11    4   12   45   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   15   12   14   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   17   16   13   53                                       
CONECT   16   15   54   55   56                                       
CONECT   17   18    4   15   57                                       
CONECT   18   19   19   17    7                                       
CONECT   19   20   18   18   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   22    9   61                                       
CONECT   22   23   21   24   31                                       
CONECT   23   22   62   63   64                                       
CONECT   24   22   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   28   69                                       
CONECT   27   26   70                                                 
CONECT   28   29   31   26   30                                       
CONECT   29   28   71   72   73                                       
CONECT   30   28   74   75   76                                       
CONECT   31   22   32   28   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33    9   32   80   81                                       
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
