COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.159   1.387  -0.701  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.105   0.555  -0.439  1.00  0.00           N  
HETATM    3  O   UNL     1       1.767   2.358  -0.090  1.00  0.00           O  
HETATM    4  C   UNL     1       1.215   0.250  -0.997  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.483   0.252   2.402  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.107  -0.775  -1.909  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.873  -0.456  -0.826  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.445  -1.063  -1.925  1.00  0.00           O  
HETATM    9  O   UNL     1       3.165  -4.497   1.324  1.00  0.00           O  
HETATM   10  O   UNL     1       6.480   2.622   0.638  1.00  0.00           O  
HETATM   11  O   UNL     1       4.580   1.316   1.494  1.00  0.00           O  
HETATM   12  C   UNL     1       2.016  -2.425   1.543  1.00  0.00           C  
HETATM   13  C   UNL     1       2.901  -3.102  -0.585  1.00  0.00           C  
HETATM   14  C   UNL     1       1.543  -1.259   0.972  1.00  0.00           C  
HETATM   15  C   UNL     1       2.416  -1.940  -1.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.174   1.238   1.274  1.00  0.00           C  
HETATM   17  C   UNL     1       4.357   2.430  -0.834  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.720   1.436   1.145  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.539   1.138   0.615  1.00  0.00           C  
HETATM   20  N   UNL     1       3.439   1.326  -1.121  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.208  -0.011  -0.969  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.852   0.033  -0.385  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.528  -0.298  -0.985  1.00  0.00           C  
HETATM   24  C   UNL     1       2.697  -3.350   0.765  1.00  0.00           C  
HETATM   25  C   UNL     1       1.743  -1.017  -0.374  1.00  0.00           C  
HETATM   26  B   UNL     1       5.165   2.113   0.474  1.00  0.00           B  
HETATM   27  N   UNL     1      -4.891   0.890   0.658  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.422   0.269  -0.456  1.00  0.00           N  
HETATM   29  H   UNL     1      -0.186   1.164   0.311  1.00  0.00           H  
HETATM   30  H   UNL     1       1.132   0.118  -2.075  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.694   0.301   3.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.437   0.512   2.860  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.537  -0.758   1.997  1.00  0.00           H  
HETATM   34  H   UNL     1       4.063  -4.426   1.675  1.00  0.00           H  
HETATM   35  H   UNL     1       6.897   2.374   1.474  1.00  0.00           H  
HETATM   36  H   UNL     1       5.153   1.175   2.260  1.00  0.00           H  
HETATM   37  H   UNL     1       1.861  -2.614   2.595  1.00  0.00           H  
HETATM   38  H   UNL     1       3.430  -3.820  -1.193  1.00  0.00           H  
HETATM   39  H   UNL     1       1.017  -0.537   1.578  1.00  0.00           H  
HETATM   40  H   UNL     1       2.574  -1.746  -2.204  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.962   1.190   0.522  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.120   2.249   1.679  1.00  0.00           H  
HETATM   43  H   UNL     1       5.049   2.554  -1.667  1.00  0.00           H  
HETATM   44  H   UNL     1       3.788   3.349  -0.695  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.766   2.119   1.980  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.648   1.585   1.031  1.00  0.00           H  
HETATM   47  H   UNL     1       3.751   0.551  -1.614  1.00  0.00           H  
CONECT    1    3    3    4   20                                       
CONECT    2    4   21   29                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   25   30                                       
CONECT    5   16   31   32   33                                       
CONECT    6   21   21                                                 
CONECT    7   22   22                                                 
CONECT    8   23   23                                                 
CONECT    9   24   34                                                 
CONECT   10   26   35                                                 
CONECT   11   26   36                                                 
CONECT   12   24   24   14   37                                       
CONECT   13   24   15   15   38                                       
CONECT   14   12   25   25   39                                       
CONECT   15   13   13   25   40                                       
CONECT   16    5   27   41   42                                       
CONECT   17   20   26   43   44                                       
CONECT   18   27   19   19   45                                       
CONECT   19   18   18   28   46                                       
CONECT   20    1   17   47                                            
CONECT   21    2    6    6   28                                       
CONECT   22    7    7   23   27                                       
CONECT   23    8    8   22   28                                       
CONECT   24    9   12   12   13                                       
CONECT   25    4   14   14   15                                       
CONECT   26   10   11   17                                            
CONECT   27   16   18   22                                            
CONECT   28   19   21   23                                            
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
