COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.527  -0.050  -1.305  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.973   1.371  -0.008  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.107   1.428   1.178  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.544   0.677  -0.218  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.862   0.376  -0.385  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.133  -1.703   0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.917  -2.516   0.373  1.00  0.00           C  
HETATM    8  C   UNL     1       5.638  -1.411   0.502  1.00  0.00           C  
HETATM    9  F   UNL     1       8.996  -0.519  -0.545  1.00  0.00           F  
HETATM   10  C   UNL     1       7.701  -0.401  -0.178  1.00  0.00           C  
HETATM   11  C   UNL     1       7.112   0.849  -0.109  1.00  0.00           C  
HETATM   12  C   UNL     1       5.790   0.969   0.277  1.00  0.00           C  
HETATM   13  C   UNL     1       5.052  -0.161   0.576  1.00  0.00           C  
HETATM   14  C   UNL     1       3.607  -0.030   0.984  1.00  0.00           C  
HETATM   15  C   UNL     1       2.732  -0.090  -0.242  1.00  0.00           C  
HETATM   16  O   UNL     1       3.232  -0.226  -1.338  1.00  0.00           O  
HETATM   17  N   UNL     1       1.393   0.007  -0.119  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.353   1.206  -1.330  1.00  0.00           C  
HETATM   19  C   UNL     1       0.773   0.172   1.203  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.618   1.490   0.142  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.864   2.036   1.431  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.088   2.088  -1.058  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.260  -0.150   0.166  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.632  -0.375  -0.014  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.304  -0.874  -0.356  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.512  -1.903  -0.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.245  -2.770   0.212  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.427  -1.211   0.358  1.00  0.00           C  
HETATM   29  C   UNL     1       6.963  -1.532   0.127  1.00  0.00           C  
HETATM   30  H   UNL     1       1.141  -0.084  -2.205  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.103  -0.938  -1.256  1.00  0.00           H  
HETATM   32  H   UNL     1       0.523   2.316   1.129  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.722   1.465   2.078  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.205   1.702  -0.245  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.567   1.178  -0.546  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.234  -3.337   0.532  1.00  0.00           H  
HETATM   37  H   UNL     1       5.061  -2.292   0.740  1.00  0.00           H  
HETATM   38  H   UNL     1       7.687   1.732  -0.347  1.00  0.00           H  
HETATM   39  H   UNL     1       5.330   1.944   0.332  1.00  0.00           H  
HETATM   40  H   UNL     1       3.344  -0.845   1.658  1.00  0.00           H  
HETATM   41  H   UNL     1       3.457   0.923   1.491  1.00  0.00           H  
HETATM   42  H   UNL     1       0.260   2.078  -1.558  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.129   1.093  -2.087  1.00  0.00           H  
HETATM   44  H   UNL     1       1.549   0.285   1.960  1.00  0.00           H  
HETATM   45  H   UNL     1       0.160  -0.700   1.431  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.919  -2.904  -0.154  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.610  -3.786   0.227  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.370  -1.038   0.496  1.00  0.00           H  
HETATM   49  H   UNL     1       7.422  -2.508   0.074  1.00  0.00           H  
CONECT    1   18   17   30   31                                       
CONECT    2   20   18    3                                            
CONECT    3    2   19   32   33                                       
CONECT    4   24   24    5   34                                       
CONECT    5    4   25   25   35                                       
CONECT    6   24   27   26   26                                       
CONECT    7   28   27   27   36                                       
CONECT    8   13   29   29   37                                       
CONECT    9   10                                                      
CONECT   10   11   11   29    9                                       
CONECT   11   12   10   10   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   14   12   12    8                                       
CONECT   14   15   13   40   41                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17    1   19   15                                            
CONECT   18    1    2   42   43                                       
CONECT   19   17    3   44   45                                       
CONECT   20   21   21   22   22                                       
CONECT   20    2   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   28   28   24                                       
CONECT   24   23    4    4    6                                       
CONECT   25    5    5   26                                            
CONECT   26    6    6   25   46                                       
CONECT   27    7    7    6   47                                       
CONECT   28   23   23    7   48                                       
CONECT   29    8    8   10   49                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
