COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.733   1.771  -0.755  1.00  0.00           N  
HETATM    2  C   UNL     1       5.896   2.310  -0.342  1.00  0.00           C  
HETATM    3  C   UNL     1       6.279   3.666  -0.252  1.00  0.00           C  
HETATM    4  F   UNL     1       5.411   4.636  -0.613  1.00  0.00           F  
HETATM    5  C   UNL     1       7.531   4.002   0.203  1.00  0.00           C  
HETATM    6  C   UNL     1       8.435   3.018   0.578  1.00  0.00           C  
HETATM    7  C   UNL     1       8.083   1.691   0.498  1.00  0.00           C  
HETATM    8  C   UNL     1       6.817   1.329   0.040  1.00  0.00           C  
HETATM    9  S   UNL     1       6.058  -0.245  -0.183  1.00  0.00           S  
HETATM   10  C   UNL     1       4.628   0.497  -0.746  1.00  0.00           C  
HETATM   11  C   UNL     1       3.396  -0.256  -1.177  1.00  0.00           C  
HETATM   12  O   UNL     1       3.775  -1.353  -2.011  1.00  0.00           O  
HETATM   13  C   UNL     1       2.662  -0.783   0.058  1.00  0.00           C  
HETATM   14  C   UNL     1       3.538  -1.816   0.769  1.00  0.00           C  
HETATM   15  C   UNL     1       2.911  -2.174   2.118  1.00  0.00           C  
HETATM   16  C   UNL     1       3.744  -3.265   2.830  1.00  0.00           C  
HETATM   17  C   UNL     1       3.021  -4.555   2.384  1.00  0.00           C  
HETATM   18  N   UNL     1       1.645  -4.147   2.078  1.00  0.00           N  
HETATM   19  C   UNL     1       1.555  -2.815   1.918  1.00  0.00           C  
HETATM   20  O   UNL     1       0.536  -2.214   1.652  1.00  0.00           O  
HETATM   21  N   UNL     1       1.404  -1.411  -0.353  1.00  0.00           N  
HETATM   22  C   UNL     1       0.239  -0.749  -0.202  1.00  0.00           C  
HETATM   23  O   UNL     1       0.221   0.323   0.364  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.039  -1.342  -0.737  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.918  -1.535  -2.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.165  -2.250  -2.774  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.102  -2.333  -4.300  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.227  -3.663  -2.188  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.155  -0.437  -0.448  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.409  -0.921  -0.357  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.615  -2.110  -0.513  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.528  -0.014  -0.067  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.423   1.350   0.130  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.832  -0.381   0.044  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.585   0.783   0.326  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.678   1.859   0.376  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.150   3.143   0.641  1.00  0.00           C  
HETATM   38  F   UNL     1      -5.287   4.182   0.690  1.00  0.00           F  
HETATM   39  C   UNL     1      -7.496   3.354   0.852  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.395   2.298   0.804  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.954   1.016   0.544  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.838  -0.014   0.499  1.00  0.00           O  
HETATM   43  C   UNL     1     -10.212   0.300   0.731  1.00  0.00           C  
HETATM   44  H   UNL     1       7.815   5.042   0.268  1.00  0.00           H  
HETATM   45  H   UNL     1       9.417   3.295   0.934  1.00  0.00           H  
HETATM   46  H   UNL     1       8.788   0.927   0.790  1.00  0.00           H  
HETATM   47  H   UNL     1       2.738   0.412  -1.733  1.00  0.00           H  
HETATM   48  H   UNL     1       4.362  -1.989  -1.580  1.00  0.00           H  
HETATM   49  H   UNL     1       2.451   0.043   0.736  1.00  0.00           H  
HETATM   50  H   UNL     1       3.615  -2.713   0.155  1.00  0.00           H  
HETATM   51  H   UNL     1       4.533  -1.399   0.930  1.00  0.00           H  
HETATM   52  H   UNL     1       2.825  -1.287   2.746  1.00  0.00           H  
HETATM   53  H   UNL     1       4.777  -3.257   2.481  1.00  0.00           H  
HETATM   54  H   UNL     1       3.700  -3.146   3.912  1.00  0.00           H  
HETATM   55  H   UNL     1       3.498  -4.968   1.495  1.00  0.00           H  
HETATM   56  H   UNL     1       3.026  -5.288   3.191  1.00  0.00           H  
HETATM   57  H   UNL     1       0.896  -4.759   2.001  1.00  0.00           H  
HETATM   58  H   UNL     1       1.408  -2.303  -0.734  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.220  -2.305  -0.261  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.826  -0.563  -2.734  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.035  -2.136  -2.470  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.054  -1.694  -2.477  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.212  -2.889  -4.597  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.990  -2.842  -4.674  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.057  -1.327  -4.717  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.272  -3.603  -1.101  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.115  -4.172  -2.562  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.338  -4.218  -2.486  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.990   0.511  -0.323  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.601   1.865   0.100  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.223  -1.382  -0.064  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.854   4.352   1.056  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.446   2.480   0.972  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.323   0.737   1.724  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.554   1.012  -0.020  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.809  -0.610   0.667  1.00  0.00           H  
CONECT    1    2   10   10                                            
CONECT    2    3    1    8    8                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   44                                       
CONECT    6    5    7    7   45                                       
CONECT    7    6    6    8   46                                       
CONECT    8    2    2    7    9                                       
CONECT    9    8   10                                                 
CONECT   10    1    1   11    9                                       
CONECT   11   13   10   12   47                                       
CONECT   12   11   48                                                 
CONECT   13   21   14   11   49                                       
CONECT   14   15   13   50   51                                       
CONECT   15   16   19   14   52                                       
CONECT   16   17   15   53   54                                       
CONECT   17   16   18   55   56                                       
CONECT   18   17   19   57                                            
CONECT   19   18   15   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   13   58                                            
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   29   22   25   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   28   27   62                                       
CONECT   27   26   63   64   65                                       
CONECT   28   26   66   67   68                                       
CONECT   29   30   24   69                                            
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   34   34   33   30                                       
CONECT   33   36   32   70                                            
CONECT   34   35   32   32   71                                       
CONECT   35   41   41   36   34                                       
CONECT   36   37   37   35   33                                       
CONECT   37   39   38   36   36                                       
CONECT   38   37                                                      
CONECT   39   40   40   37   72                                       
CONECT   40   39   39   41   73                                       
CONECT   41   40   42   35   35                                       
CONECT   42   43   41                                                 
CONECT   43   42   74   75   76                                       
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
