COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.913   3.766   0.470  1.00  0.00           C  
HETATM    2  F   UNL     1       4.803   0.096  -1.970  1.00  0.00           F  
HETATM    3  N   UNL     1       5.720   2.922   0.581  1.00  0.00           N  
HETATM    4  O   UNL     1       1.243   2.342   0.227  1.00  0.00           O  
HETATM    5  S   UNL     1       2.214   1.599  -0.497  1.00  0.00           S  
HETATM    6 CL   UNL     1       2.342  -3.379   0.790  1.00  0.00          Cl  
HETATM    7  C   UNL     1       5.483   1.991   1.530  1.00  0.00           C  
HETATM    8  N   UNL     1       4.319   1.447   1.299  1.00  0.00           N  
HETATM    9  O   UNL     1       2.373   1.692  -1.906  1.00  0.00           O  
HETATM   10  S   UNL     1      -7.693   1.286  -0.042  1.00  0.00           S  
HETATM   11  C   UNL     1       3.778   2.006   0.207  1.00  0.00           C  
HETATM   12  N   UNL     1       1.927   0.003  -0.163  1.00  0.00           N  
HETATM   13  O   UNL     1      -6.864   2.419  -0.257  1.00  0.00           O  
HETATM   14  C   UNL     1       4.636   2.935  -0.254  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.760   0.980  -0.929  1.00  0.00           O  
HETATM   16  C   UNL     1       1.226  -0.374   1.067  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.243  -0.541   0.777  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.733  -1.777   0.393  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.078  -1.936   0.127  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.943  -0.850   0.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.443   0.393   0.632  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.098   0.539   0.901  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.389  -1.015  -0.041  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.888  -2.257  -0.428  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.235  -2.405  -0.692  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.089  -1.322  -0.573  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.598  -0.087  -0.190  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.254   0.070   0.083  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.260   1.229   1.680  1.00  0.00           C  
HETATM   30  C   UNL     1       2.373  -1.033  -1.099  1.00  0.00           C  
HETATM   31  C   UNL     1       3.718  -1.556  -0.664  1.00  0.00           C  
HETATM   32  C   UNL     1       4.877  -0.957  -1.128  1.00  0.00           C  
HETATM   33  C   UNL     1       6.112  -1.439  -0.727  1.00  0.00           C  
HETATM   34  C   UNL     1       6.187  -2.517   0.134  1.00  0.00           C  
HETATM   35  C   UNL     1       5.030  -3.115   0.597  1.00  0.00           C  
HETATM   36  C   UNL     1       3.795  -2.632   0.202  1.00  0.00           C  
HETATM   37  H   UNL     1       6.761   4.686   1.035  1.00  0.00           H  
HETATM   38  H   UNL     1       7.774   3.232   0.871  1.00  0.00           H  
HETATM   39  H   UNL     1       7.091   4.008  -0.578  1.00  0.00           H  
HETATM   40  H   UNL     1       6.146   1.738   2.343  1.00  0.00           H  
HETATM   41  H   UNL     1       4.496   3.568  -1.118  1.00  0.00           H  
HETATM   42  H   UNL     1       1.632  -1.313   1.443  1.00  0.00           H  
HETATM   43  H   UNL     1       1.362   0.407   1.816  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.062  -2.618   0.301  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.460  -2.901  -0.173  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.109   1.238   0.725  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.710   1.500   1.205  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.223  -3.102  -0.522  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.622  -3.367  -0.993  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.142  -1.443  -0.781  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.874   1.034   0.388  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.404   1.318   2.348  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.950   2.053   1.862  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.768   0.282   1.864  1.00  0.00           H  
HETATM   55  H   UNL     1       1.651  -1.849  -1.108  1.00  0.00           H  
HETATM   56  H   UNL     1       2.454  -0.608  -2.099  1.00  0.00           H  
HETATM   57  H   UNL     1       7.016  -0.972  -1.088  1.00  0.00           H  
HETATM   58  H   UNL     1       7.150  -2.893   0.445  1.00  0.00           H  
HETATM   59  H   UNL     1       5.090  -3.958   1.270  1.00  0.00           H  
CONECT    1    3   37   38   39                                       
CONECT    2   32                                                      
CONECT    3    1    7   14                                            
CONECT    4    5    5                                                 
CONECT    5    4    4   11   12                                       
CONECT    5    9    9                                                 
CONECT    6   36                                                      
CONECT    7    3    8    8   40                                       
CONECT    8    7    7   11                                            
CONECT    9    5    5                                                 
CONECT   10   29   13   13   27                                       
CONECT   10   15   15                                                 
CONECT   11    5    8   14   14                                       
CONECT   12    5   16   30                                            
CONECT   13   10   10                                                 
CONECT   14    3   11   11   41                                       
CONECT   15   10   10                                                 
CONECT   16   12   17   42   43                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22   46                                       
CONECT   22   17   17   21   47                                       
CONECT   23   20   28   28   24                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   10   26   26   28                                       
CONECT   28   23   23   27   51                                       
CONECT   29   10   52   53   54                                       
CONECT   30   12   31   55   56                                       
CONECT   31   30   32   32   36                                       
CONECT   32    2   31   31   33                                       
CONECT   33   32   34   34   57                                       
CONECT   34   33   33   35   58                                       
CONECT   35   34   36   36   59                                       
CONECT   36    6   31   35   35                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    7                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
