COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.591  -1.201   0.192  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.951  -3.296   0.538  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.435   0.186   0.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.622   1.076   0.090  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.783   2.061   1.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.888   2.888   1.028  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.836   2.739   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.681   1.762  -0.938  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.576   0.933  -0.916  1.00  0.00           C  
HETATM   10  C   UNL     1       4.671  -0.541  -0.044  1.00  0.00           C  
HETATM   11  C   UNL     1       6.014   0.033   0.107  1.00  0.00           C  
HETATM   12  C   UNL     1       7.109  -0.089  -0.735  1.00  0.00           C  
HETATM   13  N   UNL     1       3.823   2.824   0.207  1.00  0.00           N  
HETATM   14  C   UNL     1       3.701   1.697   0.146  1.00  0.00           C  
HETATM   15  C   UNL     1       3.549   0.275   0.070  1.00  0.00           C  
HETATM   16  C   UNL     1       2.211  -0.321   0.111  1.00  0.00           C  
HETATM   17  O   UNL     1       2.086  -1.530   0.177  1.00  0.00           O  
HETATM   18  N   UNL     1       1.120   0.469   0.076  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.147  -0.096   0.116  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.264  -1.413   0.187  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.455  -1.990   0.226  1.00  0.00           C  
HETATM   22  S   UNL     1      -4.195  -1.928   0.242  1.00  0.00           S  
HETATM   23  C   UNL     1      -5.018  -1.112   1.638  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.794  -1.540  -0.987  1.00  0.00           O  
HETATM   25  F   UNL     1      -6.611   1.621  -1.908  1.00  0.00           F  
HETATM   26  N   UNL     1      -1.207   0.696   0.086  1.00  0.00           N  
HETATM   27  O   UNL     1       4.525  -1.859  -0.294  1.00  0.00           O  
HETATM   28  O   UNL     1       8.094   0.612  -0.167  1.00  0.00           O  
HETATM   29  N   UNL     1       7.770   1.130   0.872  1.00  0.00           N  
HETATM   30  C   UNL     1       6.533   0.887   1.189  1.00  0.00           C  
HETATM   31  C   UNL     1       7.174  -0.857  -2.031  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.045   2.178   1.841  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.013   3.651   1.781  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.699   3.388   0.010  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.453   0.174  -1.674  1.00  0.00           H  
HETATM   36  H   UNL     1       1.220   1.432   0.024  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.539  -3.066   0.285  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.063  -0.038   1.455  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.029  -1.505   1.743  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.457  -1.302   2.552  1.00  0.00           H  
HETATM   41  H   UNL     1       3.628  -2.175  -0.468  1.00  0.00           H  
HETATM   42  H   UNL     1       6.000   1.235   2.062  1.00  0.00           H  
HETATM   43  H   UNL     1       6.975  -0.182  -2.863  1.00  0.00           H  
HETATM   44  H   UNL     1       8.167  -1.292  -2.145  1.00  0.00           H  
HETATM   45  H   UNL     1       6.428  -1.651  -2.020  1.00  0.00           H  
CONECT    1   21   21   22    3                                       
CONECT    2   22   22                                                 
CONECT    3    1    4   26   26                                       
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9    9   25                                       
CONECT    9    4    8    8   35                                       
CONECT   10   15   15   27   11                                       
CONECT   11   10   12   12   30                                       
CONECT   12   11   11   28   31                                       
CONECT   13   14   14   14                                            
CONECT   14   13   13   13   15                                       
CONECT   15   14   16   10   10                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   36                                            
CONECT   19   18   20   20   26                                       
CONECT   20   19   19   21                                            
CONECT   21   20    1    1   37                                       
CONECT   22    1   23   24   24                                       
CONECT   22    2    2                                                 
CONECT   23   22   38   39   40                                       
CONECT   24   22   22                                                 
CONECT   25    8                                                      
CONECT   26   19    3    3                                            
CONECT   27   10   41                                                 
CONECT   28   12   29                                                 
CONECT   29   28   30   30                                            
CONECT   30   11   29   29   42                                       
CONECT   31   12   43   44   45                                       
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   18                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   27                                                      
CONECT   42   30                                                      
CONECT   43   31                                                      
CONECT   44   31                                                      
CONECT   45   31                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
