COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.534  -2.638   0.889  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.815  -1.504   0.116  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.156  -1.235  -0.243  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.113  -2.092   0.178  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.549  -3.436   1.265  1.00  0.00           N  
HETATM    6  C   UNL     1       5.741  -1.742   0.230  1.00  0.00           C  
HETATM    7  C   UNL     1       7.236  -1.429   0.335  1.00  0.00           C  
HETATM    8  N   UNL     1       7.569  -0.330  -0.581  1.00  0.00           N  
HETATM    9  C   UNL     1       9.012  -0.050  -0.564  1.00  0.00           C  
HETATM   10  C   UNL     1       6.795   0.876  -0.256  1.00  0.00           C  
HETATM   11  C   UNL     1       5.301   0.563  -0.361  1.00  0.00           C  
HETATM   12  N   UNL     1       4.967  -0.536   0.555  1.00  0.00           N  
HETATM   13  C   UNL     1       3.597  -0.802   0.539  1.00  0.00           C  
HETATM   14  C   UNL     1       3.142  -2.083   0.247  1.00  0.00           C  
HETATM   15  C   UNL     1       1.791  -2.350   0.231  1.00  0.00           C  
HETATM   16  C   UNL     1       2.690   0.214   0.822  1.00  0.00           C  
HETATM   17  C   UNL     1       1.337  -0.045   0.807  1.00  0.00           C  
HETATM   18  C   UNL     1       0.876  -1.330   0.509  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.572  -1.611   0.492  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.186  -2.683   1.097  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.779  -3.175   0.925  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.515  -1.850  -0.171  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.837  -2.544  -1.497  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.440  -0.257  -0.914  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.533  -0.841  -0.135  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.311   0.403  -0.906  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.765   1.624  -0.408  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.643   0.359  -2.130  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.437   1.521  -2.846  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.891   2.730  -2.355  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.554   2.785  -1.134  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.007   4.012  -0.639  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.982   4.254   0.687  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.649   3.376   1.459  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.356   5.581   1.199  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.332   5.820   2.507  1.00  0.00           C  
HETATM   37  H   UNL     1       5.508  -2.062  -0.786  1.00  0.00           H  
HETATM   38  H   UNL     1       5.486  -2.538   0.929  1.00  0.00           H  
HETATM   39  H   UNL     1       7.475  -1.136   1.358  1.00  0.00           H  
HETATM   40  H   UNL     1       7.812  -2.315   0.067  1.00  0.00           H  
HETATM   41  H   UNL     1       9.558  -0.941  -0.873  1.00  0.00           H  
HETATM   42  H   UNL     1       9.231   0.767  -1.251  1.00  0.00           H  
HETATM   43  H   UNL     1       9.315   0.231   0.444  1.00  0.00           H  
HETATM   44  H   UNL     1       7.029   1.196   0.760  1.00  0.00           H  
HETATM   45  H   UNL     1       7.051   1.672  -0.956  1.00  0.00           H  
HETATM   46  H   UNL     1       4.724   1.449  -0.093  1.00  0.00           H  
HETATM   47  H   UNL     1       5.062   0.270  -1.384  1.00  0.00           H  
HETATM   48  H   UNL     1       3.850  -2.871   0.032  1.00  0.00           H  
HETATM   49  H   UNL     1       1.439  -3.345   0.004  1.00  0.00           H  
HETATM   50  H   UNL     1       3.047   1.207   1.052  1.00  0.00           H  
HETATM   51  H   UNL     1       0.633   0.744   1.027  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.726  -3.371   1.603  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.561  -3.844   1.250  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.159  -2.249   0.613  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.685  -0.779  -0.272  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.667  -3.616  -1.396  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.880  -2.364  -1.757  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.193  -2.146  -2.281  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.280   1.664   0.541  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.286  -0.584  -2.516  1.00  0.00           H  
HETATM   61  H   UNL     1       0.081   1.485  -3.793  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.726   3.636  -2.919  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.339   4.689  -1.249  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.652   6.361   0.513  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.037   5.040   3.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.607   6.794   2.883  1.00  0.00           H  
CONECT    1   20    2    2    5                                       
CONECT    2   25    1    1    3                                       
CONECT    3    2   24   24    4                                       
CONECT    4    3   21   22                                            
CONECT    5    1   21   21                                            
CONECT    6    7   12   37   38                                       
CONECT    7    8    6   39   40                                       
CONECT    8    9    7   10                                            
CONECT    9    8   41   42   43                                       
CONECT   10    8   11   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12    6   11   13                                            
CONECT   13   12   16   16   14                                       
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   18   49                                       
CONECT   16   13   13   17   50                                       
CONECT   17   16   18   18   51                                       
CONECT   18   17   17   15   19                                       
CONECT   19   18   25   25   20                                       
CONECT   20   19    1   52                                            
CONECT   21    5    5    4   53                                       
CONECT   22    4   23   54   55                                       
CONECT   23   22   56   57   58                                       
CONECT   24    3    3                                                 
CONECT   25   26   19   19    2                                       
CONECT   26   27   25   28   28                                       
CONECT   27   31   31   26   59                                       
CONECT   28   26   26   29   60                                       
CONECT   29   30   30   28   61                                       
CONECT   30   31   29   29   62                                       
CONECT   31   32   27   27   30                                       
CONECT   32   33   31   63                                            
CONECT   33   35   34   34   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   33   64                                       
CONECT   36   35   35   65   66                                       
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
