COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.400  -1.339  -1.743  1.00  0.00           C  
HETATM    2  O   UNL     1       9.065  -0.951  -2.073  1.00  0.00           O  
HETATM    3  C   UNL     1       8.247  -0.613  -1.041  1.00  0.00           C  
HETATM    4  C   UNL     1       8.723  -0.654   0.262  1.00  0.00           C  
HETATM    5  C   UNL     1       7.897  -0.311   1.316  1.00  0.00           C  
HETATM    6  C   UNL     1       6.589   0.075   1.076  1.00  0.00           C  
HETATM    7  O   UNL     1       5.777   0.412   2.114  1.00  0.00           O  
HETATM    8  C   UNL     1       6.340   0.345   3.426  1.00  0.00           C  
HETATM    9  C   UNL     1       6.105   0.119  -0.234  1.00  0.00           C  
HETATM   10  C   UNL     1       6.942  -0.221  -1.292  1.00  0.00           C  
HETATM   11  C   UNL     1       4.703   0.533  -0.497  1.00  0.00           C  
HETATM   12  C   UNL     1       4.293   1.472  -1.400  1.00  0.00           C  
HETATM   13  N   UNL     1       2.948   1.564  -1.344  1.00  0.00           N  
HETATM   14  C   UNL     1       2.122   2.460  -2.158  1.00  0.00           C  
HETATM   15  C   UNL     1       2.478   0.679  -0.400  1.00  0.00           C  
HETATM   16  C   UNL     1       3.552   0.024   0.134  1.00  0.00           C  
HETATM   17  C   UNL     1       1.073   0.473  -0.036  1.00  0.00           C  
HETATM   18  O   UNL     1       0.193   1.042  -0.656  1.00  0.00           O  
HETATM   19  N   UNL     1       0.754  -0.347   0.985  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.580  -0.656   1.241  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.579   0.188   0.780  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.915  -0.137   1.046  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.181  -1.308   1.772  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.128  -2.090   2.192  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.880  -1.755   1.918  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.012   0.729   0.577  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.184   0.324  -0.032  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.909   1.427  -0.298  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.258   2.492   0.109  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.076   2.109   0.665  1.00  0.00           N  
HETATM   31  S   UNL     1      -5.827   4.153  -0.035  1.00  0.00           S  
HETATM   32  C   UNL     1      -7.423   3.870  -0.841  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.573  -1.072  -0.338  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.910  -1.460  -0.254  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.267  -2.762  -0.540  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.300  -3.682  -0.911  1.00  0.00           C  
HETATM   37  F   UNL     1      -6.655  -4.956  -1.190  1.00  0.00           F  
HETATM   38  C   UNL     1      -4.971  -3.301  -0.997  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.604  -2.001  -0.718  1.00  0.00           C  
HETATM   40  H   UNL     1      10.901  -0.519  -1.230  1.00  0.00           H  
HETATM   41  H   UNL     1      10.374  -2.213  -1.092  1.00  0.00           H  
HETATM   42  H   UNL     1      10.944  -1.583  -2.656  1.00  0.00           H  
HETATM   43  H   UNL     1       9.742  -0.956   0.453  1.00  0.00           H  
HETATM   44  H   UNL     1       8.272  -0.345   2.328  1.00  0.00           H  
HETATM   45  H   UNL     1       5.588   0.638   4.159  1.00  0.00           H  
HETATM   46  H   UNL     1       6.667  -0.675   3.629  1.00  0.00           H  
HETATM   47  H   UNL     1       7.193   1.020   3.490  1.00  0.00           H  
HETATM   48  H   UNL     1       6.574  -0.185  -2.307  1.00  0.00           H  
HETATM   49  H   UNL     1       4.938   2.046  -2.049  1.00  0.00           H  
HETATM   50  H   UNL     1       1.880   1.973  -3.102  1.00  0.00           H  
HETATM   51  H   UNL     1       1.202   2.692  -1.622  1.00  0.00           H  
HETATM   52  H   UNL     1       2.670   3.381  -2.354  1.00  0.00           H  
HETATM   53  H   UNL     1       3.523  -0.739   0.899  1.00  0.00           H  
HETATM   54  H   UNL     1       1.455  -0.723   1.542  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.331   1.081   0.226  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.198  -1.593   1.998  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.326  -2.992   2.751  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.404   2.693   1.049  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.664  -0.744   0.035  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.302  -3.063  -0.475  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.221  -4.022  -1.286  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.568  -1.704  -0.789  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.263   3.372  -1.798  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.045   3.242  -0.204  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.920   4.825  -1.008  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4    6    6   44                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8                                                 
CONECT    8    7   45   46   47                                       
CONECT    9    6   10   10   11                                       
CONECT   10    3    9    9   48                                       
CONECT   11    9   12   12   16                                       
CONECT   12   11   11   13   49                                       
CONECT   13   12   14   15                                            
CONECT   14   13   50   51   52                                       
CONECT   15   13   16   16   17                                       
CONECT   16   11   15   15   53                                       
CONECT   17   15   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   54                                            
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   56                                       
CONECT   24   23   25   25   57                                       
CONECT   25   20   24   24                                            
CONECT   26   22   27   27   30                                       
CONECT   27   26   26   28   33                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   30   31                                       
CONECT   30   26   29   58                                            
CONECT   31   29   32                                                 
CONECT   32   31   65   64   63                                       
CONECT   33   27   34   34   39                                       
CONECT   34   33   33   35   59                                       
CONECT   35   34   36   36   60                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36                                                      
CONECT   38   36   39   39   61                                       
CONECT   39   33   38   38   62                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   30                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   38                                                      
CONECT   62   39                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
