COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.757   0.111   0.456  1.00  0.00           C  
HETATM    2  C   UNL     1       3.504  -0.820  -0.558  1.00  0.00           C  
HETATM    3  C   UNL     1       2.223  -1.328  -0.744  1.00  0.00           C  
HETATM    4  C   UNL     1       5.858  -0.005  -0.363  1.00  0.00           C  
HETATM    5  C   UNL     1       9.224   1.511   0.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.232  -1.038   0.708  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.667  -2.495  -0.544  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.162   1.698  -0.021  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.218   3.049  -1.760  1.00  0.00           C  
HETATM   10  C   UNL     1       7.756   1.183   0.404  1.00  0.00           C  
HETATM   11  O   UNL     1       7.069   1.715   1.250  1.00  0.00           O  
HETATM   12  N   UNL     1       7.207   0.297  -0.451  1.00  0.00           N  
HETATM   13  N   UNL     1       5.044   0.504   0.496  1.00  0.00           N  
HETATM   14  S   UNL     1       5.012  -1.134  -1.413  1.00  0.00           S  
HETATM   15  C   UNL     1       2.685   0.519   1.280  1.00  0.00           C  
HETATM   16  C   UNL     1       1.436   0.013   1.097  1.00  0.00           C  
HETATM   17  C   UNL     1       1.185  -0.912   0.079  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.183  -1.451  -0.116  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.439  -2.379  -1.124  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.652  -2.862  -1.302  1.00  0.00           N  
HETATM   21 CL   UNL     1      -4.240  -3.171  -0.833  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -2.494  -1.577   0.488  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.576  -1.196   1.286  1.00  0.00           N  
HETATM   24  S   UNL     1      -3.686   0.360   1.844  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.897   0.436   2.583  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.416   0.678   2.397  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.893   1.404   0.440  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.326   2.517  -1.122  1.00  0.00           C  
HETATM   29  F   UNL     1      -4.377   3.850  -2.836  1.00  0.00           F  
HETATM   30  C   UNL     1      -2.947   2.749  -1.301  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.785   1.929  -0.200  1.00  0.00           C  
HETATM   32  H   UNL     1       2.036  -2.046  -1.529  1.00  0.00           H  
HETATM   33  H   UNL     1       9.672   0.940  -0.504  1.00  0.00           H  
HETATM   34  H   UNL     1       9.346   2.577   0.115  1.00  0.00           H  
HETATM   35  H   UNL     1       9.715   1.255   1.248  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.067  -0.320   1.498  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.027   1.284   0.477  1.00  0.00           H  
HETATM   38  H   UNL     1       7.757  -0.129  -1.127  1.00  0.00           H  
HETATM   39  H   UNL     1       2.859   1.240   2.065  1.00  0.00           H  
HETATM   40  H   UNL     1       0.629   0.336   1.737  1.00  0.00           H  
HETATM   41  H   UNL     1       0.365  -2.705  -1.767  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.264  -1.842   1.512  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.318   2.743  -1.484  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.081   3.155  -1.803  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.794   1.698   0.161  1.00  0.00           H  
CONECT    1    2    2   15   13                                       
CONECT    2    1    1    3   14                                       
CONECT    3    2   17   17   32                                       
CONECT    4   14   12   13   13                                       
CONECT    5   10   33   34   35                                       
CONECT    6   22   22   18   36                                       
CONECT    7   22   21   20   20                                       
CONECT    8   27   27   28   37                                       
CONECT    9   30   28   28   29                                       
CONECT   10    5   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    4   10   38                                            
CONECT   13    1    4    4                                            
CONECT   14    2    4                                                 
CONECT   15    1   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17    3    3   16   18                                       
CONECT   18    6   17   19   19                                       
CONECT   19   18   18   20   41                                       
CONECT   20    7    7   19                                            
CONECT   21    7                                                      
CONECT   22    6    6    7   23                                       
CONECT   23   22   24   42                                            
CONECT   24   23   26   26   25                                       
CONECT   24   25   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    8    8   24   31                                       
CONECT   28    8    9    9   43                                       
CONECT   29    9                                                      
CONECT   30    9   31   31   44                                       
CONECT   31   27   30   30   45                                       
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   23                                                      
CONECT   43   28                                                      
CONECT   44   30                                                      
CONECT   45   31                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
