COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.774   4.448  -0.410  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.102   3.067  -0.584  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.084   2.174  -0.481  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.341   0.817  -0.645  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.296  -0.085  -0.539  1.00  0.00           C  
HETATM    6  F   UNL     1      -7.594   0.384  -0.906  1.00  0.00           F  
HETATM    7  N   UNL     1      -4.860   2.605  -0.230  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.840   1.774  -0.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.020   0.407  -0.269  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.933  -0.468  -0.152  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.729  -0.012   0.362  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.571   1.276   0.623  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.442   1.752   1.113  1.00  0.00           C  
HETATM   14  C   UNL     1       0.631   0.920   1.375  1.00  0.00           C  
HETATM   15  C   UNL     1       1.911   1.484   1.935  1.00  0.00           C  
HETATM   16  C   UNL     1       1.995   1.173   3.431  1.00  0.00           C  
HETATM   17  N   UNL     1       3.057   0.879   1.243  1.00  0.00           N  
HETATM   18  C   UNL     1       4.323   1.442   1.730  1.00  0.00           C  
HETATM   19  C   UNL     1       5.493   0.663   1.120  1.00  0.00           C  
HETATM   20  C   UNL     1       2.932   1.028  -0.213  1.00  0.00           C  
HETATM   21  C   UNL     1       4.045   0.231  -0.902  1.00  0.00           C  
HETATM   22  N   UNL     1       5.337   0.654  -0.342  1.00  0.00           N  
HETATM   23  S   UNL     1       6.585   1.108  -1.332  1.00  0.00           S  
HETATM   24  C   UNL     1       7.490  -0.431  -1.654  1.00  0.00           C  
HETATM   25  O   UNL     1       5.944   1.565  -2.516  1.00  0.00           O  
HETATM   26  O   UNL     1       7.364   1.988  -0.534  1.00  0.00           O  
HETATM   27  C   UNL     1       0.519  -0.437   1.121  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.687  -0.919   0.608  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.862  -2.361   0.323  1.00  0.00           C  
HETATM   30  N   UNL     1       0.152  -3.203   0.502  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.037  -2.819  -0.108  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.193  -4.106  -0.362  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.523  -4.620  -0.849  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.186  -4.944  -0.190  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.010  -4.496   0.245  1.00  0.00           C  
HETATM   36  N   UNL     1       1.039  -5.374   0.429  1.00  0.00           N  
HETATM   37  H   UNL     1      -6.351   4.599   0.583  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.046   4.745  -1.165  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.675   5.051  -0.517  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.465  -1.145  -0.661  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.854   2.164   0.083  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.022  -1.392  -0.430  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.354   2.810   1.311  1.00  0.00           H  
HETATM   44  H   UNL     1       1.927   2.564   1.787  1.00  0.00           H  
HETATM   45  H   UNL     1       2.921   1.581   3.835  1.00  0.00           H  
HETATM   46  H   UNL     1       1.145   1.622   3.944  1.00  0.00           H  
HETATM   47  H   UNL     1       1.979   0.093   3.578  1.00  0.00           H  
HETATM   48  H   UNL     1       4.392   2.490   1.436  1.00  0.00           H  
HETATM   49  H   UNL     1       4.362   1.366   2.816  1.00  0.00           H  
HETATM   50  H   UNL     1       6.433   1.146   1.385  1.00  0.00           H  
HETATM   51  H   UNL     1       5.486  -0.361   1.495  1.00  0.00           H  
HETATM   52  H   UNL     1       1.961   0.650  -0.535  1.00  0.00           H  
HETATM   53  H   UNL     1       3.019   2.081  -0.479  1.00  0.00           H  
HETATM   54  H   UNL     1       3.898  -0.834  -0.721  1.00  0.00           H  
HETATM   55  H   UNL     1       4.025   0.426  -1.974  1.00  0.00           H  
HETATM   56  H   UNL     1       6.828  -1.148  -2.137  1.00  0.00           H  
HETATM   57  H   UNL     1       8.339  -0.223  -2.306  1.00  0.00           H  
HETATM   58  H   UNL     1       7.849  -0.845  -0.711  1.00  0.00           H  
HETATM   59  H   UNL     1       1.343  -1.106   1.318  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.548  -4.588  -1.939  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.661  -5.648  -0.513  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.322  -3.996  -0.449  1.00  0.00           H  
HETATM   63  H   UNL     1       1.895  -5.047   0.746  1.00  0.00           H  
HETATM   64  H   UNL     1       0.919  -6.318   0.241  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    1                                                 
CONECT    3    4    2    7    7                                       
CONECT    4    6    5    5    3                                       
CONECT    5    4    4    9   40                                       
CONECT    6    4                                                      
CONECT    7    3    3    8                                            
CONECT    8    9    9    7   41                                       
CONECT    9    5   10    8    8                                       
CONECT   10    9   11   42                                            
CONECT   11   12   10   28   28                                       
CONECT   12   13   13   11                                            
CONECT   13   12   12   14   43                                       
CONECT   14   13   15   27   27                                       
CONECT   15   17   16   14   44                                       
CONECT   16   15   45   46   47                                       
CONECT   17   18   20   15                                            
CONECT   18   19   17   48   49                                       
CONECT   19   22   18   50   51                                       
CONECT   20   21   17   52   53                                       
CONECT   21   22   20   54   55                                       
CONECT   22   23   19   21                                            
CONECT   23   26   26   24   25                                       
CONECT   23   25   22                                                 
CONECT   24   23   56   57   58                                       
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27   14   14   28   59                                       
CONECT   28   11   11   27   29                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   35                                            
CONECT   31   29   32   32                                            
CONECT   32   31   31   34   33                                       
CONECT   33   32   60   61   62                                       
CONECT   34   35   35   32                                            
CONECT   35   30   36   34   34                                       
CONECT   36   35   63   64                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
