COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.007   0.347   0.557  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.247   1.359   0.497  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.122   1.783  -1.740  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.176  -0.242   0.732  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.573  -1.554   0.926  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.588  -0.962  -0.909  1.00  0.00           C  
HETATM    7  C   UNL     1       2.419  -0.137   0.765  1.00  0.00           C  
HETATM    8  C   UNL     1       3.371   0.679  -0.111  1.00  0.00           C  
HETATM    9  C   UNL     1       4.795   0.294   0.200  1.00  0.00           C  
HETATM   10  C   UNL     1       6.452  -1.395   0.576  1.00  0.00           C  
HETATM   11  C   UNL     1       7.408  -0.412   0.771  1.00  0.00           C  
HETATM   12  C   UNL     1       4.034   1.208  -2.461  1.00  0.00           C  
HETATM   13  S   UNL     1       0.170   1.558   1.530  1.00  0.00           S  
HETATM   14  N   UNL     1      -0.956   0.465  -0.405  1.00  0.00           N  
HETATM   15  N   UNL     1       0.195  -0.048  -0.369  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.453   2.032   0.622  1.00  0.00           N  
HETATM   17  S   UNL     1      -3.688   1.724  -0.438  1.00  0.00           S  
HETATM   18  O   UNL     1      -4.780   2.535  -0.028  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.186   0.053  -0.187  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.978  -2.571   0.199  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.987  -2.274  -0.721  1.00  0.00           C  
HETATM   22  F   UNL     1      -3.406  -3.266  -1.431  1.00  0.00           F  
HETATM   23  F   UNL     1      -6.540  -1.842   1.824  1.00  0.00           F  
HETATM   24  C   UNL     1       5.144  -1.040   0.291  1.00  0.00           C  
HETATM   25  C   UNL     1       7.057   0.922   0.675  1.00  0.00           C  
HETATM   26  C   UNL     1       5.751   1.274   0.390  1.00  0.00           C  
HETATM   27  F   UNL     1       6.794  -2.698   0.670  1.00  0.00           F  
HETATM   28  C   UNL     1       3.077   0.397  -1.585  1.00  0.00           C  
HETATM   29  C   UNL     1       3.268  -1.095  -1.867  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.643   0.553   1.296  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.815  -0.731  -1.626  1.00  0.00           H  
HETATM   32  H   UNL     1       2.694  -0.015   1.813  1.00  0.00           H  
HETATM   33  H   UNL     1       2.486  -1.190   0.492  1.00  0.00           H  
HETATM   34  H   UNL     1       3.230   1.741   0.091  1.00  0.00           H  
HETATM   35  H   UNL     1       8.428  -0.687   0.995  1.00  0.00           H  
HETATM   36  H   UNL     1       5.055   0.859  -2.304  1.00  0.00           H  
HETATM   37  H   UNL     1       3.764   1.081  -3.509  1.00  0.00           H  
HETATM   38  H   UNL     1       3.966   2.263  -2.193  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.573   2.684   1.331  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.290  -3.594   0.347  1.00  0.00           H  
HETATM   41  H   UNL     1       4.398  -1.806   0.139  1.00  0.00           H  
HETATM   42  H   UNL     1       7.802   1.688   0.827  1.00  0.00           H  
HETATM   43  H   UNL     1       5.477   2.316   0.315  1.00  0.00           H  
HETATM   44  H   UNL     1       2.049   0.681  -1.811  1.00  0.00           H  
HETATM   45  H   UNL     1       4.317  -1.359  -1.728  1.00  0.00           H  
HETATM   46  H   UNL     1       2.653  -1.676  -1.180  1.00  0.00           H  
HETATM   47  H   UNL     1       2.972  -1.312  -2.893  1.00  0.00           H  
CONECT    1    7   15   15   13                                       
CONECT    2   14   14   13   16                                       
CONECT    3   17   17                                                 
CONECT    4    5    5   19   30                                       
CONECT    5   20   23    4    4                                       
CONECT    6   21   19   19   31                                       
CONECT    7    1    8   32   33                                       
CONECT    8   28    7    9   34                                       
CONECT    9    8   24   24   26                                       
CONECT   10   24   27   11   11                                       
CONECT   11   10   10   25   35                                       
CONECT   12   28   36   37   38                                       
CONECT   13    1    2                                                 
CONECT   14   15    2    2                                            
CONECT   15    1    1   14                                            
CONECT   16    2   17   39                                            
CONECT   17   19   16    3    3                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19    6    6    4   17                                       
CONECT   20   21   21    5   40                                       
CONECT   21   22   20   20    6                                       
CONECT   22   21                                                      
CONECT   23    5                                                      
CONECT   24    9    9   10   41                                       
CONECT   25   26   26   11   42                                       
CONECT   26    9   25   25   43                                       
CONECT   27   10                                                      
CONECT   28   29   12    8   44                                       
CONECT   29   28   45   46   47                                       
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   16                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
