COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.380  -0.080  -2.573  1.00  0.00           C  
HETATM    2  C   UNL     1       3.331  -0.203  -3.952  1.00  0.00           C  
HETATM    3  C   UNL     1       2.149  -0.470  -4.619  1.00  0.00           C  
HETATM    4  C   UNL     1       0.946  -0.631  -3.952  1.00  0.00           C  
HETATM    5  C   UNL     1       0.968  -0.512  -2.564  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.045  -0.623  -1.641  1.00  0.00           N  
HETATM    7  C   UNL     1       0.476  -0.413  -0.373  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.162  -0.410   0.869  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.461  -0.631   1.171  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.660  -0.492   2.543  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.800  -0.605   3.338  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.636  -0.439   4.703  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.403  -0.173   5.271  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.256  -0.055   4.505  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.400  -0.218   3.126  1.00  0.00           C  
HETATM   16  C   UNL     1       0.566  -0.164   2.033  1.00  0.00           C  
HETATM   17  C   UNL     1       1.958   0.070   1.946  1.00  0.00           C  
HETATM   18  C   UNL     1       2.974   0.344   2.974  1.00  0.00           C  
HETATM   19  N   UNL     1       4.181   0.508   2.408  1.00  0.00           N  
HETATM   20  C   UNL     1       4.043   0.350   0.956  1.00  0.00           C  
HETATM   21  C   UNL     1       2.582   0.065   0.702  1.00  0.00           C  
HETATM   22  C   UNL     1       1.854  -0.170  -0.459  1.00  0.00           C  
HETATM   23  C   UNL     1       2.178  -0.238  -1.885  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.447  -0.927  -1.913  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.220   0.304  -2.362  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.506   1.177  -1.133  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.309   0.331  -0.137  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.522  -0.922   0.211  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.085  -1.649  -0.899  1.00  0.00           O  
HETATM   30  O   UNL     1       2.752   0.413   4.168  1.00  0.00           O  
HETATM   31  N   UNL     1      -1.242   1.604  -0.519  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.500   2.900   0.122  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.423   1.060  -3.276  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.327   1.719  -4.164  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.439  -1.847  -3.136  1.00  0.00           C  
HETATM   36  H   UNL     1       4.304   0.128  -2.056  1.00  0.00           H  
HETATM   37  H   UNL     1       4.241  -0.089  -4.522  1.00  0.00           H  
HETATM   38  H   UNL     1       2.165  -0.555  -5.696  1.00  0.00           H  
HETATM   39  H   UNL     1       0.030  -0.839  -4.485  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.769  -0.812   2.908  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.500  -0.521   5.346  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.333  -0.054   6.342  1.00  0.00           H  
HETATM   43  H   UNL     1       0.704   0.153   4.953  1.00  0.00           H  
HETATM   44  H   UNL     1       5.007   0.699   2.880  1.00  0.00           H  
HETATM   45  H   UNL     1       4.653  -0.483   0.610  1.00  0.00           H  
HETATM   46  H   UNL     1       4.339   1.268   0.449  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.143  -0.003  -2.853  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.087   2.051  -1.428  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.490   0.910   0.768  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.262   0.048  -0.585  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.222  -1.572   0.735  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.597   1.778  -1.275  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.587   3.260   0.594  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.828   3.618  -0.629  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.278   2.783   0.876  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.762   2.312  -4.884  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.923   0.976  -4.694  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.986   2.373  -3.593  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.589  -2.526  -3.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.364  -2.423  -3.163  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.358  -1.246  -4.042  1.00  0.00           H  
CONECT    1    2    2   23   36                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6   23   23                                       
CONECT    6    5    7   24                                            
CONECT    7    6    8    8   22                                       
CONECT    8    7    7    9   16                                       
CONECT    9    8   10   28                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14   13   15   15   43                                       
CONECT   15   10   14   14   16                                       
CONECT   16    8   15   17   17                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   30   30                                       
CONECT   19   18   20   44                                            
CONECT   20   19   21   45   46                                       
CONECT   21   17   20   22   22                                       
CONECT   22    7   21   21   23                                       
CONECT   23    1    5    5   22                                       
CONECT   24    6   25   29   35                                       
CONECT   25   24   26   33   47                                       
CONECT   26   25   27   31   48                                       
CONECT   27   26   28   49   50                                       
CONECT   28    9   27   29   51                                       
CONECT   29   24   28                                                 
CONECT   30   18   18                                                 
CONECT   31   26   32   52                                            
CONECT   32   31   53   54   55                                       
CONECT   33   25   34                                                 
CONECT   34   33   56   57   58                                       
CONECT   35   24   59   60   61                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
