COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.052   0.708   0.159  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.580   1.017   0.072  1.00  0.00           C  
HETATM    3  C   UNL     1       0.356   2.066   1.254  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.473   0.007   1.056  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.297   1.016  -0.612  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.975  -1.235   1.073  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.627  -2.493   0.495  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.838  -3.516   1.612  1.00  0.00           C  
HETATM    9  C   UNL     1       2.644  -0.992  -0.106  1.00  0.00           C  
HETATM   10  C   UNL     1       3.911  -0.633   0.314  1.00  0.00           C  
HETATM   11  C   UNL     1       4.360   0.664   0.128  1.00  0.00           C  
HETATM   12  C   UNL     1       3.538   1.599  -0.478  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.903   1.214  -0.756  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.153   1.816   1.305  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.821  -0.234   0.014  1.00  0.00           N  
HETATM   16  S   UNL     1       0.212  -0.518  -1.249  1.00  0.00           S  
HETATM   17  O   UNL     1       0.237  -1.926  -1.438  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.147   0.398  -2.275  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.978  -2.128  -0.124  1.00  0.00           C  
HETATM   20  C   UNL     1       1.827  -0.059  -0.715  1.00  0.00           C  
HETATM   21  C   UNL     1       2.272   1.238  -0.896  1.00  0.00           C  
HETATM   22  F   UNL     1       5.598   1.016   0.538  1.00  0.00           F  
HETATM   23  C   UNL     1       4.804  -1.652   0.974  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.891   3.156   1.326  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.385   1.603  -0.826  1.00  0.00           H  
HETATM   26  H   UNL     1       0.600   2.629   0.353  1.00  0.00           H  
HETATM   27  H   UNL     1       0.660   2.635   2.132  1.00  0.00           H  
HETATM   28  H   UNL     1       0.882   1.111   1.239  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.826   1.416  -1.316  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.604  -0.831   1.866  1.00  0.00           H  
HETATM   31  H   UNL     1       0.004  -1.487   1.480  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.979  -2.919  -0.271  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.486  -3.090   2.378  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.303  -4.413   1.201  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.876  -3.776   2.054  1.00  0.00           H  
HETATM   36  H   UNL     1       2.294  -2.003   0.039  1.00  0.00           H  
HETATM   37  H   UNL     1       3.887   2.611  -0.623  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.559   1.714  -1.513  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.397   1.252   2.206  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.672  -1.837   0.664  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.847  -1.298  -0.818  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.377  -2.990  -0.659  1.00  0.00           H  
HETATM   43  H   UNL     1       1.629   1.969  -1.365  1.00  0.00           H  
HETATM   44  H   UNL     1       5.398  -2.161   0.214  1.00  0.00           H  
HETATM   45  H   UNL     1       5.468  -1.152   1.679  1.00  0.00           H  
HETATM   46  H   UNL     1       4.193  -2.381   1.505  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.721   3.679   0.385  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.959   2.980   1.456  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.520   3.762   2.152  1.00  0.00           H  
CONECT    1    2   13    4    4                                       
CONECT    2   14   15    1   25                                       
CONECT    3   14   26   27   28                                       
CONECT    4    1    1                                                 
CONECT    5   13   29                                                 
CONECT    6   15    7   30   31                                       
CONECT    7    6    8   19   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9   20   20   10   36                                       
CONECT   10    9   23   11   11                                       
CONECT   11   10   10   12   22                                       
CONECT   12   21   21   11   37                                       
CONECT   13    1    5   38                                            
CONECT   14   24    3    2   39                                       
CONECT   15   16    2    6                                            
CONECT   16   18   18   17   17                                       
CONECT   16   20   15                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    7   40   41   42                                       
CONECT   20   16    9    9   21                                       
CONECT   21   20   12   12   43                                       
CONECT   22   11                                                      
CONECT   23   10   44   45   46                                       
CONECT   24   14   47   48   49                                       
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
