COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.061  -2.145   2.165  1.00  0.00           C  
HETATM    2  N   UNL     1       4.834  -1.436   1.792  1.00  0.00           N  
HETATM    3  C   UNL     1       4.392  -1.476   0.519  1.00  0.00           C  
HETATM    4  O   UNL     1       5.013  -2.102  -0.321  1.00  0.00           O  
HETATM    5  C   UNL     1       3.164  -0.766   0.146  1.00  0.00           C  
HETATM    6  C   UNL     1       3.054   0.538  -0.307  1.00  0.00           C  
HETATM    7  O   UNL     1       1.762   0.819  -0.542  1.00  0.00           O  
HETATM    8  C   UNL     1       0.969  -0.239  -0.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.403  -0.433  -0.354  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.952  -1.655  -0.001  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.334  -1.845  -0.087  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.198  -1.453   1.029  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.538   0.011   0.912  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.663   0.401   0.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.980   1.738   0.093  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.109   2.460  -0.594  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.961   3.865  -0.396  1.00  0.00           O  
HETATM   18  B   UNL     1      -4.796   4.098   0.383  1.00  0.00           B  
HETATM   19  O   UNL     1      -4.298   5.361   0.800  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.163   2.695   0.696  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.032   2.300   1.408  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.240   3.225   1.992  1.00  0.00           F  
HETATM   23  C   UNL     1      -2.728   0.953   1.516  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.994  -2.512  -1.451  1.00  0.00           S  
HETATM   25  C   UNL     1      -3.165  -1.119  -2.600  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.003  -3.420  -1.912  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.272  -2.973  -1.033  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.138  -2.695   0.439  1.00  0.00           C  
HETATM   29  C   UNL     1       1.225  -2.516   0.527  1.00  0.00           C  
HETATM   30  C   UNL     1       1.786  -1.293   0.168  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.749  -4.019   0.821  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.246  -5.266   0.090  1.00  0.00           C  
HETATM   33  C   UNL     1       0.144  -5.025   1.550  1.00  0.00           C  
HETATM   34  C   UNL     1       4.179   1.472  -0.500  1.00  0.00           C  
HETATM   35  C   UNL     1       5.486   1.061  -0.225  1.00  0.00           C  
HETATM   36  C   UNL     1       6.534   1.939  -0.407  1.00  0.00           C  
HETATM   37  C   UNL     1       6.292   3.226  -0.862  1.00  0.00           C  
HETATM   38  F   UNL     1       7.323   4.081  -1.039  1.00  0.00           F  
HETATM   39  C   UNL     1       4.997   3.639  -1.137  1.00  0.00           C  
HETATM   40  C   UNL     1       3.942   2.769  -0.964  1.00  0.00           C  
HETATM   41  H   UNL     1       5.941  -3.209   1.961  1.00  0.00           H  
HETATM   42  H   UNL     1       6.896  -1.755   1.584  1.00  0.00           H  
HETATM   43  H   UNL     1       6.256  -1.998   3.227  1.00  0.00           H  
HETATM   44  H   UNL     1       4.339  -0.938   2.461  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.042   0.369  -0.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.115  -2.042   1.002  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.679  -1.631   1.971  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.292  -0.343  -0.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.087   2.238  -1.661  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.060   2.132  -0.173  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.831   6.111   0.505  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.853   0.641   2.066  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.204  -0.614  -2.704  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.488  -1.488  -3.573  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.904  -0.418  -2.214  1.00  0.00           H  
HETATM   56  H   UNL     1       1.856  -3.319   0.880  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.803  -3.988   1.097  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.970  -6.055  -0.114  1.00  0.00           H  
HETATM   59  H   UNL     1       0.526  -5.129  -0.667  1.00  0.00           H  
HETATM   60  H   UNL     1       1.173  -4.729   1.754  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.323  -5.656   2.306  1.00  0.00           H  
HETATM   62  H   UNL     1       5.675   0.059   0.130  1.00  0.00           H  
HETATM   63  H   UNL     1       7.544   1.623  -0.195  1.00  0.00           H  
HETATM   64  H   UNL     1       4.815   4.643  -1.491  1.00  0.00           H  
HETATM   65  H   UNL     1       2.934   3.090  -1.181  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3   44                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   30    6    6                                       
CONECT    6    5    5   34    7                                       
CONECT    7    6    8                                                 
CONECT    8   30    7    9    9                                       
CONECT    9    8    8   10   45                                       
CONECT   10   28   28    9   11                                       
CONECT   11   10   12   24                                            
CONECT   12   13   11   46   47                                       
CONECT   13   23   23   14   12                                       
CONECT   14   15   15   13   48                                       
CONECT   15   20   16   14   14                                       
CONECT   16   17   15   49   50                                       
CONECT   17   18   16                                                 
CONECT   18   19   20   17                                            
CONECT   19   18   51                                                 
CONECT   20   18   21   21   15                                       
CONECT   21   22   20   20   23                                       
CONECT   22   21                                                      
CONECT   23   21   13   13   52                                       
CONECT   24   11   26   26   27                                       
CONECT   24   27   25                                                 
CONECT   25   24   53   54   55                                       
CONECT   26   24   24                                                 
CONECT   27   24   24                                                 
CONECT   28   29   31   10   10                                       
CONECT   29   30   30   28   56                                       
CONECT   30    5   29   29    8                                       
CONECT   31   32   33   28   57                                       
CONECT   32   33   31   58   59                                       
CONECT   33   32   31   60   61                                       
CONECT   34   35    6   40   40                                       
CONECT   35   36   36   34   62                                       
CONECT   36   35   35   37   63                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37                                                      
CONECT   39   37   37   40   64                                       
CONECT   40   34   34   39   65                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
