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