COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.763   1.042   0.322  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.357   1.028   0.783  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.557   0.944  -0.968  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.720   1.878  -2.138  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.811   0.634   0.274  1.00  0.00           C  
HETATM    6  C   UNL     1       8.283   1.573   0.648  1.00  0.00           C  
HETATM    7  C   UNL     1       7.905   2.030  -0.762  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.395   0.430   0.666  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.396   0.394  -0.309  1.00  0.00           C  
HETATM   10  C   UNL     1       1.624  -1.473  -0.281  1.00  0.00           C  
HETATM   11  N   UNL     1       2.879  -1.737   0.063  1.00  0.00           N  
HETATM   12  N   UNL     1       3.766  -0.815   0.169  1.00  0.00           N  
HETATM   13  C   UNL     1       3.493   0.467  -0.058  1.00  0.00           C  
HETATM   14  C   UNL     1       2.210   0.851  -0.424  1.00  0.00           C  
HETATM   15  C   UNL     1       1.238  -0.143  -0.542  1.00  0.00           C  
HETATM   16  N   UNL     1       4.495   1.423   0.073  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.063   0.167  -0.903  1.00  0.00           N  
HETATM   18  C   UNL     1       0.641  -2.567  -0.396  1.00  0.00           C  
HETATM   19  N   UNL     1       0.993  -3.827  -0.069  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.487  -2.333  -0.785  1.00  0.00           O  
HETATM   21  C   UNL     1       0.017  -4.913  -0.183  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.070   0.203   0.069  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.747   0.048   1.410  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.739   0.083   2.373  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.056   0.278   2.010  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.717   0.546  -1.621  1.00  0.00           O  
HETATM   27  C   UNL     1       6.865   2.069   0.359  1.00  0.00           C  
HETATM   28  O   UNL     1       6.016  -0.127   0.522  1.00  0.00           O  
HETATM   29  N   UNL     1      -5.834   0.690   1.098  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.978   0.895   0.309  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.260   0.784  -0.979  1.00  0.00           N  
HETATM   32  H   UNL     1      -8.826   0.045   0.820  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.358   1.469   1.780  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.915   1.671   0.102  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.185   1.086  -1.835  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.443   2.480  -1.588  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.727   2.313  -2.028  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.992   1.857  -3.194  1.00  0.00           H  
HETATM   39  H   UNL     1       8.419   0.504   0.811  1.00  0.00           H  
HETATM   40  H   UNL     1       8.936   2.224   1.230  1.00  0.00           H  
HETATM   41  H   UNL     1       8.308   2.982  -1.108  1.00  0.00           H  
HETATM   42  H   UNL     1       7.792   1.262  -1.527  1.00  0.00           H  
HETATM   43  H   UNL     1       1.971   1.887  -0.611  1.00  0.00           H  
HETATM   44  H   UNL     1       4.280   2.365  -0.016  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.276   0.359  -1.830  1.00  0.00           H  
HETATM   46  H   UNL     1       1.893  -4.014   0.241  1.00  0.00           H  
HETATM   47  H   UNL     1       0.480  -5.851   0.122  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.837  -4.703   0.461  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.319  -4.993  -1.217  1.00  0.00           H  
HETATM   50  H   UNL     1       0.282  -0.101   1.702  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.481  -0.039   3.415  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.826   0.309   2.767  1.00  0.00           H  
HETATM   53  H   UNL     1       6.584   3.046   0.752  1.00  0.00           H  
CONECT    1   28   28   16   27                                       
CONECT    2   30   32   33   34                                       
CONECT    3   30   31   31   35                                       
CONECT    4   26   36   37   38                                       
CONECT    5   29   29   31    8                                       
CONECT    6    7   27   39   40                                       
CONECT    7    6   27   41   42                                       
CONECT    8    5   25   25    9                                       
CONECT    9    8   26   22   22                                       
CONECT   10   15   18   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   13   13   11                                            
CONECT   13   14   16   12   12                                       
CONECT   14   15   15   13   43                                       
CONECT   15   17   14   14   10                                       
CONECT   16   13    1   44                                            
CONECT   17   22   15   45                                            
CONECT   18   20   20   10   19                                       
CONECT   19   18   21   46                                            
CONECT   20   18   18                                                 
CONECT   21   19   47   48   49                                       
CONECT   22    9    9   23   17                                       
CONECT   23   24   24   22   50                                       
CONECT   24   25   23   23   51                                       
CONECT   25    8    8   24   52                                       
CONECT   26    4    9                                                 
CONECT   27    6    1    7   53                                       
CONECT   28    1    1                                                 
CONECT   29   30    5    5                                            
CONECT   30    2    3   29                                            
CONECT   31    3    3    5                                            
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
