COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.785   4.269  -0.674  1.00  0.00           C  
HETATM    2  C   UNL     1       4.275   4.028  -0.713  1.00  0.00           C  
HETATM    3  C   UNL     1       3.978   2.583  -0.307  1.00  0.00           C  
HETATM    4  C   UNL     1       4.554   1.600  -1.345  1.00  0.00           C  
HETATM    5  C   UNL     1       5.521   0.621  -0.677  1.00  0.00           C  
HETATM    6  C   UNL     1       3.341   0.869  -1.872  1.00  0.00           C  
HETATM    7  O   UNL     1       3.360   0.000  -2.718  1.00  0.00           O  
HETATM    8  N   UNL     1       2.241   1.330  -1.263  1.00  0.00           N  
HETATM    9  C   UNL     1       2.489   2.316  -0.342  1.00  0.00           C  
HETATM   10  C   UNL     1       1.558   2.944   0.406  1.00  0.00           C  
HETATM   11  C   UNL     1       0.225   2.469   0.421  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.182   1.213   0.062  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.898   3.201   0.809  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.903   4.632   1.284  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.002   2.386   0.681  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.428   2.763   0.990  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.086   3.342  -0.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.512   3.719   0.046  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.288   4.251  -0.911  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.956   3.543   1.156  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.557   1.141   0.214  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.352   0.033  -0.048  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.761  -1.236  -0.211  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.473  -1.531  -0.008  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.431  -2.416  -0.610  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.895  -2.551  -0.938  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.688  -2.782   0.350  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.152  -2.916   0.022  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.524  -2.836  -1.125  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.044  -3.125   1.004  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.498  -3.406  -0.641  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.732  -4.848  -1.011  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.268  -2.823  -0.257  1.00  0.00           C  
HETATM   34  C   UNL     1       0.972  -3.500  -0.155  1.00  0.00           C  
HETATM   35  C   UNL     1       2.071  -2.850   0.367  1.00  0.00           C  
HETATM   36  C   UNL     1       3.379  -3.362   0.408  1.00  0.00           C  
HETATM   37  C   UNL     1       3.826  -4.706  -0.105  1.00  0.00           C  
HETATM   38  N   UNL     1       2.066  -1.580   0.933  1.00  0.00           N  
HETATM   39  C   UNL     1       3.313  -1.269   1.334  1.00  0.00           C  
HETATM   40  O   UNL     1       3.659  -0.231   1.870  1.00  0.00           O  
HETATM   41  C   UNL     1       4.182  -2.405   1.007  1.00  0.00           C  
HETATM   42  C   UNL     1       5.629  -2.507   1.265  1.00  0.00           C  
HETATM   43  C   UNL     1       6.252  -1.553   1.949  1.00  0.00           C  
HETATM   44  H   UNL     1       6.143   4.164   0.350  1.00  0.00           H  
HETATM   45  H   UNL     1       6.286   3.540  -1.311  1.00  0.00           H  
HETATM   46  H   UNL     1       6.002   5.275  -1.033  1.00  0.00           H  
HETATM   47  H   UNL     1       3.780   4.709  -0.021  1.00  0.00           H  
HETATM   48  H   UNL     1       3.905   4.205  -1.723  1.00  0.00           H  
HETATM   49  H   UNL     1       4.382   2.374   0.683  1.00  0.00           H  
HETATM   50  H   UNL     1       5.055   2.142  -2.148  1.00  0.00           H  
HETATM   51  H   UNL     1       4.975  -0.004   0.030  1.00  0.00           H  
HETATM   52  H   UNL     1       5.984  -0.009  -1.436  1.00  0.00           H  
HETATM   53  H   UNL     1       6.294   1.178  -0.147  1.00  0.00           H  
HETATM   54  H   UNL     1       1.831   3.808   0.993  1.00  0.00           H  
HETATM   55  H   UNL     1       0.394   0.496  -0.246  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.029   5.298   0.431  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.725   4.779   1.985  1.00  0.00           H  
HETATM   58  H   UNL     1       0.042   4.852   1.781  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.976   1.878   1.313  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.442   3.509   1.786  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.538   4.228  -0.586  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.072   2.597  -1.059  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.196   4.476  -0.665  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.423   0.144  -0.126  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.245  -1.639  -1.421  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.041  -3.397  -1.610  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.338  -3.694   0.833  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.542  -1.936   1.022  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.972  -3.205   0.744  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.588  -4.976  -2.084  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.027  -5.481  -0.472  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.750  -5.131  -0.745  1.00  0.00           H  
HETATM   73  H   UNL     1       1.057  -4.524  -0.486  1.00  0.00           H  
HETATM   74  H   UNL     1       4.126  -4.615  -1.149  1.00  0.00           H  
HETATM   75  H   UNL     1       4.672  -5.058   0.486  1.00  0.00           H  
HETATM   76  H   UNL     1       3.005  -5.418  -0.024  1.00  0.00           H  
HETATM   77  H   UNL     1       6.184  -3.358   0.898  1.00  0.00           H  
HETATM   78  H   UNL     1       7.325  -1.582   2.062  1.00  0.00           H  
HETATM   79  H   UNL     1       5.684  -0.747   2.390  1.00  0.00           H  
HETATM   80  H   UNL     1       1.351   0.996  -1.454  1.00  0.00           H  
HETATM   81  H   UNL     1       1.287  -1.008   1.024  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    3    1   47   48                                       
CONECT    3    4    9    2   49                                       
CONECT    4    6    5    3   50                                       
CONECT    5    4   51   52   53                                       
CONECT    6    7    7    8    4                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   80                                            
CONECT    9    8    3   10   10                                       
CONECT   10    9    9   11   54                                       
CONECT   11   12   10   13   13                                       
CONECT   12   21   11   55                                            
CONECT   13   11   11   15   14                                       
CONECT   14   13   56   57   58                                       
CONECT   15   21   21   13   16                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18   63                                                 
CONECT   20   18   18                                                 
CONECT   21   22   12   15   15                                       
CONECT   22   23   23   21   64                                       
CONECT   23   24   25   22   22                                       
CONECT   24   33   33   23                                            
CONECT   25   31   31   26   23                                       
CONECT   26   25   27   65   66                                       
CONECT   27   28   26   67   68                                       
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   69                                                 
CONECT   31   32   33   25   25                                       
CONECT   32   31   70   71   72                                       
CONECT   33   34   31   24   24                                       
CONECT   34   35   35   33   73                                       
CONECT   35   36   38   34   34                                       
CONECT   36   41   41   37   35                                       
CONECT   37   36   74   75   76                                       
CONECT   38   39   35   81                                            
CONECT   39   40   40   41   38                                       
CONECT   40   39   39                                                 
CONECT   41   42   39   36   36                                       
CONECT   42   43   43   41   77                                       
CONECT   43   42   42   78   79                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80    8                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
