COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.771  -0.415  -0.344  1.00  0.00           C  
HETATM    2  C   UNL     1       7.524   0.414  -0.028  1.00  0.00           C  
HETATM    3  O   UNL     1       4.998   1.264   0.382  1.00  0.00           O  
HETATM    4  N   UNL     1       4.011  -0.669  -0.089  1.00  0.00           N  
HETATM    5  C   UNL     1       2.744  -0.105   0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       1.620  -0.892  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       0.355  -0.318  -0.020  1.00  0.00           C  
HETATM    8  C   UNL     1       0.279   1.047   0.330  1.00  0.00           C  
HETATM    9  C   UNL     1       1.459   1.759   0.519  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.036   1.711   0.492  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.266   2.970  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.525   3.553   0.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.493   2.857   0.845  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.825   4.884  -0.448  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.869  -1.117  -0.232  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.998  -2.386   0.030  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.164  -2.932  -0.223  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.437  -4.391   0.037  1.00  0.00           C  
HETATM   19  N   UNL     1       6.331  -0.422  -0.179  1.00  0.00           N  
HETATM   20  C   UNL     1       5.109   0.100   0.050  1.00  0.00           C  
HETATM   21  N   UNL     1       2.631   1.173   0.380  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.233   1.670   1.354  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.063   1.085   1.199  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.975   5.481  -1.079  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.040   5.435  -0.266  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.095  -2.113  -0.726  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.392  -0.504  -0.872  1.00  0.00           S  
HETATM   28  F   UNL     1      -3.559  -4.515   0.865  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.679  -5.044  -1.176  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.329  -4.969   0.665  1.00  0.00           F  
HETATM   31  H   UNL     1       8.712  -0.783  -1.369  1.00  0.00           H  
HETATM   32  H   UNL     1       9.659   0.206  -0.232  1.00  0.00           H  
HETATM   33  H   UNL     1       8.829  -1.260   0.342  1.00  0.00           H  
HETATM   34  H   UNL     1       7.583   0.781   0.997  1.00  0.00           H  
HETATM   35  H   UNL     1       7.466   1.258  -0.714  1.00  0.00           H  
HETATM   36  H   UNL     1       4.103  -1.615  -0.285  1.00  0.00           H  
HETATM   37  H   UNL     1       1.722  -1.934  -0.427  1.00  0.00           H  
HETATM   38  H   UNL     1       1.414   2.804   0.786  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.494   3.481  -0.621  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.468   3.298   0.992  1.00  0.00           H  
HETATM   41  H   UNL     1       6.419  -1.351  -0.444  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.895   0.108   1.629  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.189   6.307  -0.656  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.105  -2.390  -0.992  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1   19   34   35                                       
CONECT    3   20   20                                                 
CONECT    4   20    5   36                                            
CONECT    5    4    6    6   21                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6   15    8    8                                       
CONECT    8    7    7    9   10                                       
CONECT    9   21   21    8   38                                       
CONECT   10    8   11   11   23                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12   22   40                                       
CONECT   14   24   24   12   25                                       
CONECT   15   27    7   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17   26   26   16   18                                       
CONECT   18   17   29   30   28                                       
CONECT   19    2   20   41                                            
CONECT   20   19    3    3    4                                       
CONECT   21    5    9    9                                            
CONECT   22   23   23   13                                            
CONECT   23   10   22   22   42                                       
CONECT   24   14   14                                                 
CONECT   25   14   43                                                 
CONECT   26   27   17   17   44                                       
CONECT   27   15   26                                                 
CONECT   28   18                                                      
CONECT   29   18                                                      
CONECT   30   18                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
