COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.419  -1.942   3.485  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.339   0.620   0.381  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.827   1.670  -0.390  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.434   1.891  -0.391  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.609   1.097   0.343  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.006   1.933  -0.883  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.204   2.568  -1.540  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.484  -0.186   1.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.536  -2.213  -1.772  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.300  -3.620  -2.324  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.421  -1.039   0.123  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.069  -1.255   1.466  1.00  0.00           C  
HETATM   13  F   UNL     1       7.796  -1.716   0.659  1.00  0.00           F  
HETATM   14  C   UNL     1       7.272  -0.501   0.388  1.00  0.00           C  
HETATM   15  C   UNL     1       8.084   0.624   0.407  1.00  0.00           C  
HETATM   16  F   UNL     1       9.398   0.501   0.696  1.00  0.00           F  
HETATM   17  C   UNL     1       7.550   1.873   0.130  1.00  0.00           C  
HETATM   18  F   UNL     1       8.344   2.966   0.148  1.00  0.00           F  
HETATM   19  C   UNL     1       6.206   2.002  -0.166  1.00  0.00           C  
HETATM   20  C   UNL     1       5.928  -0.380   0.088  1.00  0.00           C  
HETATM   21  C   UNL     1       5.387   0.875  -0.185  1.00  0.00           C  
HETATM   22  C   UNL     1       3.943   1.009  -0.502  1.00  0.00           C  
HETATM   23  N   UNL     1       3.282   2.145  -0.790  1.00  0.00           N  
HETATM   24  N   UNL     1       2.046   1.860  -1.008  1.00  0.00           N  
HETATM   25  C   UNL     1       3.021   0.005  -0.565  1.00  0.00           C  
HETATM   26  N   UNL     1       1.846   0.596  -0.882  1.00  0.00           N  
HETATM   27  C   UNL     1       0.563  -0.089  -1.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.120  -0.253   0.305  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.412   1.035   0.850  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.133  -2.303  -0.476  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.557  -4.268  -2.531  1.00  0.00           O  
HETATM   32  C   UNL     1       0.801  -1.474  -1.666  1.00  0.00           C  
HETATM   33  O   UNL     1       1.692  -2.217  -0.831  1.00  0.00           O  
HETATM   34  N   UNL     1      -3.258  -0.758   1.861  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.459  -1.213   3.174  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.581  -1.966   2.450  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.122   0.052   1.109  1.00  0.00           C  
HETATM   38  S   UNL     1      -8.087   0.595   0.173  1.00  0.00           S  
HETATM   39  N   UNL     1      -6.802   2.335  -1.039  1.00  0.00           N  
HETATM   40  H   UNL     1      -2.263  -2.441   4.430  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.020   2.696  -0.979  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.544   1.278   0.332  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.387   2.092  -2.503  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.078   2.442  -0.901  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.015   3.631  -1.691  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.883  -0.995   1.720  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.201  -1.667  -2.441  1.00  0.00           H  
HETATM   48  H   UNL     1       0.235  -3.553  -3.272  1.00  0.00           H  
HETATM   49  H   UNL     1       0.292  -4.195  -1.612  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.098  -0.477  -0.521  1.00  0.00           H  
HETATM   51  H   UNL     1       5.790   2.975  -0.381  1.00  0.00           H  
HETATM   52  H   UNL     1       5.297  -1.256   0.069  1.00  0.00           H  
HETATM   53  H   UNL     1       3.194  -1.047  -0.395  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.076   0.496  -1.717  1.00  0.00           H  
HETATM   55  H   UNL     1       0.542  -0.794   0.982  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.846   1.007   1.714  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.483  -5.166  -2.881  1.00  0.00           H  
HETATM   58  H   UNL     1       1.236  -1.365  -2.659  1.00  0.00           H  
HETATM   59  H   UNL     1       1.887  -3.106  -1.158  1.00  0.00           H  
CONECT    1   36   35   35   40                                       
CONECT    2    8   38    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4    5    5    3   41                                       
CONECT    5   37    4    4   42                                       
CONECT    6   38    7   39   39                                       
CONECT    7    6   43   44   45                                       
CONECT    8   37   37    2   46                                       
CONECT    9   32   10   30   47                                       
CONECT   10    9   31   48   49                                       
CONECT   11   28   30   12   50                                       
CONECT   12   11   36   36   34                                       
CONECT   13   14                                                      
CONECT   14   15   13   20   20                                       
CONECT   15   16   17   17   14                                       
CONECT   16   15                                                      
CONECT   17   18   15   15   19                                       
CONECT   18   17                                                      
CONECT   19   17   21   21   51                                       
CONECT   20   14   14   21   52                                       
CONECT   21   19   19   20   22                                       
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   26                                            
CONECT   25   22   22   26   53                                       
CONECT   26   25   24   27                                            
CONECT   27   26   32   28   54                                       
CONECT   28   27   29   11   55                                       
CONECT   29   28   56                                                 
CONECT   30    9   11                                                 
CONECT   31   10   57                                                 
CONECT   32   33   27    9   58                                       
CONECT   33   32   59                                                 
CONECT   34   12   35   37                                            
CONECT   35    1    1   34                                            
CONECT   36   12   12    1                                            
CONECT   37   34    8    8    5                                       
CONECT   38    2    6                                                 
CONECT   39    3    6    6                                            
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
