COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.066   3.037  -0.307  1.00  0.00           C  
HETATM    2  C   UNL     1       4.553   3.338  -0.577  1.00  0.00           C  
HETATM    3  C   UNL     1       4.258   1.085  -0.347  1.00  0.00           C  
HETATM    4  O   UNL     1       4.516  -0.101  -0.294  1.00  0.00           O  
HETATM    5  O   UNL     1       0.383  -5.295   0.333  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.186  -3.156   1.301  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.841   1.222   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.095   2.344   1.221  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.290   2.310   0.527  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.897   0.682  -0.315  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.678  -0.526  -1.188  1.00  0.00           C  
HETATM   12  F   UNL     1      -1.567  -0.312  -2.011  1.00  0.00           F  
HETATM   13  F   UNL     1      -2.452  -1.648  -0.383  1.00  0.00           F  
HETATM   14  F   UNL     1      -3.811  -0.741  -1.980  1.00  0.00           F  
HETATM   15  N   UNL     1      -4.088   1.247  -0.238  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.552   2.871   0.580  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.314   2.851   1.245  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.486   0.625   0.365  1.00  0.00           C  
HETATM   19  C   UNL     1       0.628   1.424   0.116  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.315  -0.684   0.554  1.00  0.00           N  
HETATM   21  C   UNL     1       0.892  -1.224   0.501  1.00  0.00           C  
HETATM   22  N   UNL     1       1.029  -2.587   0.702  1.00  0.00           N  
HETATM   23  C   UNL     1       0.031  -4.650   1.560  1.00  0.00           C  
HETATM   24  C   UNL     1       1.563  -4.765  -0.277  1.00  0.00           C  
HETATM   25  C   UNL     1       1.362  -3.273  -0.555  1.00  0.00           C  
HETATM   26  N   UNL     1       1.972  -0.495   0.262  1.00  0.00           N  
HETATM   27  C   UNL     1       1.881   0.817   0.069  1.00  0.00           C  
HETATM   28  N   UNL     1       3.021   1.573  -0.181  1.00  0.00           N  
HETATM   29  C   UNL     1       2.611   3.703   0.994  1.00  0.00           C  
HETATM   30  O   UNL     1       5.183   2.024  -0.576  1.00  0.00           O  
HETATM   31  H   UNL     1       2.450   3.369  -1.143  1.00  0.00           H  
HETATM   32  H   UNL     1       4.675   3.819  -1.548  1.00  0.00           H  
HETATM   33  H   UNL     1       4.967   3.961   0.215  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.399  -2.651   2.243  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.026  -3.023   0.618  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.305   2.789   1.808  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.275   2.486   0.061  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.714   3.649   1.136  1.00  0.00           H  
HETATM   39  H   UNL     1       0.523   2.488  -0.036  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.887  -5.088   1.951  1.00  0.00           H  
HETATM   41  H   UNL     1       0.835  -4.780   2.284  1.00  0.00           H  
HETATM   42  H   UNL     1       2.412  -4.899   0.393  1.00  0.00           H  
HETATM   43  H   UNL     1       1.753  -5.287  -1.215  1.00  0.00           H  
HETATM   44  H   UNL     1       0.547  -3.142  -1.268  1.00  0.00           H  
HETATM   45  H   UNL     1       2.279  -2.853  -0.968  1.00  0.00           H  
HETATM   46  H   UNL     1       3.270   3.398   1.807  1.00  0.00           H  
HETATM   47  H   UNL     1       2.651   4.786   0.881  1.00  0.00           H  
HETATM   48  H   UNL     1       1.589   3.398   1.220  1.00  0.00           H  
CONECT    1   29   28    2   31                                       
CONECT    2    1   30   32   33                                       
CONECT    3   28   30    4    4                                       
CONECT    4    3    3                                                 
CONECT    5   24   23                                                 
CONECT    6   23   22   34   35                                       
CONECT    7    8   18   10   10                                       
CONECT    8   17   17    7   36                                       
CONECT    9   17   16   15   15                                       
CONECT   10    7    7   15   11                                       
CONECT   11   10   13   12   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11                                                      
CONECT   15    9    9   10                                            
CONECT   16    9   37   38                                            
CONECT   17    8    8    9                                            
CONECT   18   20    7   19   19                                       
CONECT   19   18   18   27   39                                       
CONECT   20   21   21   18                                            
CONECT   21   22   20   20   26                                       
CONECT   22   25    6   21                                            
CONECT   23    5    6   40   41                                       
CONECT   24    5   25   42   43                                       
CONECT   25   24   22   44   45                                       
CONECT   26   21   27   27                                            
CONECT   27   26   26   19   28                                       
CONECT   28    1   27    3                                            
CONECT   29    1   46   47   48                                       
CONECT   30    2    3                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
