COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.016  -1.714   2.860  1.00  0.00           C  
HETATM    2  C   UNL     1       1.272  -0.845   3.905  1.00  0.00           C  
HETATM    3  C   UNL     1       1.270   0.520   3.688  1.00  0.00           C  
HETATM    4  C   UNL     1       1.014   1.025   2.426  1.00  0.00           C  
HETATM    5  C   UNL     1       0.758   0.168   1.375  1.00  0.00           C  
HETATM    6  C   UNL     1       0.479   0.721   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       1.554   1.748  -0.363  1.00  0.00           C  
HETATM    8  C   UNL     1       2.921   1.062  -0.409  1.00  0.00           C  
HETATM    9  N   UNL     1       5.303   1.431  -0.817  1.00  0.00           N  
HETATM   10  O   UNL     1       6.315   3.333  -1.356  1.00  0.00           O  
HETATM   11  O   UNL     1       7.609   1.541  -1.161  1.00  0.00           O  
HETATM   12  C   UNL     1       2.678  -5.691  -1.234  1.00  0.00           C  
HETATM   13  C   UNL     1       2.410  -4.352  -1.924  1.00  0.00           C  
HETATM   14  C   UNL     1       1.274  -3.647  -1.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.028  -3.863  -1.643  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.076  -3.218  -1.009  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.826  -2.356   0.039  1.00  0.00           C  
HETATM   18  C   UNL     1       0.484  -2.135   0.459  1.00  0.00           C  
HETATM   19  C   UNL     1       1.535  -2.791  -0.179  1.00  0.00           C  
HETATM   20  C   UNL     1       0.758  -1.209   1.586  1.00  0.00           C  
HETATM   21  F   UNL     1       1.023  -3.048   3.072  1.00  0.00           F  
HETATM   22  O   UNL     1       0.495  -0.342  -0.953  1.00  0.00           O  
HETATM   23  C   UNL     1       3.995   2.089  -0.773  1.00  0.00           C  
HETATM   24  C   UNL     1       6.406   2.145  -1.120  1.00  0.00           C  
HETATM   25  C   UNL     1       8.752   2.371  -1.493  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.894   1.395  -0.009  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.904   2.550   0.996  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.267   3.245   0.964  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.355   2.245   1.366  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.259   1.066   0.495  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.967   0.375   0.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.335   0.626  -0.187  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.242  -0.349  -0.902  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.653   1.345  -0.061  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.700   0.648  -0.931  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.334   0.769  -2.306  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.066   1.301  -0.707  1.00  0.00           C  
HETATM   38  N   UNL     1      -9.092   0.556  -1.449  1.00  0.00           N  
HETATM   39  H   UNL     1       1.472  -1.234   4.893  1.00  0.00           H  
HETATM   40  H   UNL     1       1.470   1.196   4.507  1.00  0.00           H  
HETATM   41  H   UNL     1       1.014   2.093   2.262  1.00  0.00           H  
HETATM   42  H   UNL     1       1.330   2.178  -1.340  1.00  0.00           H  
HETATM   43  H   UNL     1       1.570   2.539   0.387  1.00  0.00           H  
HETATM   44  H   UNL     1       3.144   0.632   0.567  1.00  0.00           H  
HETATM   45  H   UNL     1       2.905   0.271  -1.159  1.00  0.00           H  
HETATM   46  H   UNL     1       5.376   0.483  -0.629  1.00  0.00           H  
HETATM   47  H   UNL     1       3.499  -6.201  -1.737  1.00  0.00           H  
HETATM   48  H   UNL     1       2.942  -5.516  -0.191  1.00  0.00           H  
HETATM   49  H   UNL     1       1.782  -6.310  -1.283  1.00  0.00           H  
HETATM   50  H   UNL     1       3.306  -3.733  -1.876  1.00  0.00           H  
HETATM   51  H   UNL     1       2.146  -4.527  -2.967  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.227  -4.536  -2.463  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.091  -3.390  -1.336  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.645  -1.854   0.532  1.00  0.00           H  
HETATM   55  H   UNL     1       2.552  -2.626   0.146  1.00  0.00           H  
HETATM   56  H   UNL     1       0.322  -0.059  -1.861  1.00  0.00           H  
HETATM   57  H   UNL     1       3.771   2.518  -1.750  1.00  0.00           H  
HETATM   58  H   UNL     1       4.010   2.879  -0.023  1.00  0.00           H  
HETATM   59  H   UNL     1       8.850   3.168  -0.756  1.00  0.00           H  
HETATM   60  H   UNL     1       9.656   1.762  -1.491  1.00  0.00           H  
HETATM   61  H   UNL     1       8.610   2.807  -2.482  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.104   1.780  -1.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.718   2.161   1.997  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.125   3.266   0.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.265   4.082   1.663  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.464   3.613  -0.043  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.211   1.946   2.404  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.336   2.707   1.252  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.032  -0.399  -0.383  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.710  -0.078   1.340  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.977   1.330   0.980  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.536   2.378  -0.390  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.753  -0.407  -0.660  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.268   1.682  -2.617  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.305   1.287   0.356  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.038   2.331  -1.060  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.094  -0.418  -1.186  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.004   0.968  -1.318  1.00  0.00           H  
CONECT    1   21   20   20    2                                       
CONECT    2    1    3    3   39                                       
CONECT    3    2    2    4   40                                       
CONECT    4    5    5    3   41                                       
CONECT    5   20    6    4    4                                       
CONECT    6    7   26    5   22                                       
CONECT    7    8    6   42   43                                       
CONECT    8   23    7   44   45                                       
CONECT    9   23   24   46                                            
CONECT   10   24   24                                                 
CONECT   11   24   25                                                 
CONECT   12   13   47   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   17   17   53                                       
CONECT   17   16   16   18   54                                       
CONECT   18   19   19   17   20                                       
CONECT   19   14   18   18   55                                       
CONECT   20   18    1    1    5                                       
CONECT   21    1                                                      
CONECT   22    6   56                                                 
CONECT   23    9    8   57   58                                       
CONECT   24    9   11   10   10                                       
CONECT   25   11   59   60   61                                       
CONECT   26   31    6   27   62                                       
CONECT   27   26   28   63   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   32   29   31                                            
CONECT   31   30   26   69   70                                       
CONECT   32   34   33   33   30                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   71   72                                       
CONECT   35   37   36   34   73                                       
CONECT   36   35   74                                                 
CONECT   37   38   35   75   76                                       
CONECT   38   37   77   78                                            
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
