COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.417  -0.446   0.913  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.537  -0.710   2.058  1.00  0.00           N1+
HETATM    3  O   UNL     1       0.540  -1.078   1.297  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.423   0.229   2.091  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.198   0.697   0.190  1.00  0.00           N  
HETATM    6  O   UNL     1      -4.168  -2.663  -2.371  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.427   0.051   0.961  1.00  0.00           C  
HETATM    8  N   UNL     1       3.000   6.139   0.153  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.222   0.962   1.204  1.00  0.00           C  
HETATM   10  N   UNL     1       4.559  -5.313   0.629  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.113   1.543  -1.003  1.00  0.00           C  
HETATM   12  C   UNL     1       0.714   2.764  -0.696  1.00  0.00           C  
HETATM   13  C   UNL     1       0.666  -0.324   0.355  1.00  0.00           C  
HETATM   14  C   UNL     1       2.525  -1.799  -0.295  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.067   0.408  -0.384  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.811  -0.810  -0.892  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.299  -1.564  -2.092  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.892  -1.201  -0.290  1.00  0.00           C  
HETATM   19  C   UNL     1       2.061   2.782  -1.009  1.00  0.00           C  
HETATM   20  C   UNL     1       2.822   3.899  -0.729  1.00  0.00           C  
HETATM   21  C   UNL     1       2.234   5.007  -0.132  1.00  0.00           C  
HETATM   22  C   UNL     1       0.880   4.986   0.181  1.00  0.00           C  
HETATM   23  C   UNL     1       0.124   3.867  -0.108  1.00  0.00           C  
HETATM   24  C   UNL     1       2.123  -2.997  -0.857  1.00  0.00           C  
HETATM   25  C   UNL     1       2.795  -4.165  -0.553  1.00  0.00           C  
HETATM   26  C   UNL     1       3.877  -4.134   0.319  1.00  0.00           C  
HETATM   27  C   UNL     1       4.278  -2.929   0.881  1.00  0.00           C  
HETATM   28  C   UNL     1       3.605  -1.765   0.568  1.00  0.00           C  
HETATM   29  C   UNL     1       1.789  -0.528  -0.629  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.427  -0.783   1.143  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.426   0.623   0.698  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.068  -0.623   2.911  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.176  -1.650   1.988  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.822   1.242   2.045  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.897   0.110   3.038  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.899  -3.194  -3.132  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.094  -0.986   0.936  1.00  0.00           H  
HETATM   38  H   UNL     1       3.945   6.152  -0.065  1.00  0.00           H  
HETATM   39  H   UNL     1       2.588   6.912   0.570  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.812   0.766   2.194  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.535   2.004   1.140  1.00  0.00           H  
HETATM   42  H   UNL     1       4.278  -6.154   0.235  1.00  0.00           H  
HETATM   43  H   UNL     1       5.314  -5.291   1.237  1.00  0.00           H  
HETATM   44  H   UNL     1       0.353   0.982  -1.814  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.115   1.849  -1.304  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.763   1.236  -0.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.291   0.688  -1.097  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.296  -1.937  -1.885  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.268  -0.898  -2.954  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.421  -2.070  -0.650  1.00  0.00           H  
HETATM   51  H   UNL     1       2.519   1.920  -1.472  1.00  0.00           H  
HETATM   52  H   UNL     1       3.874   3.912  -0.973  1.00  0.00           H  
HETATM   53  H   UNL     1       0.419   5.846   0.644  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.930   3.852   0.131  1.00  0.00           H  
HETATM   55  H   UNL     1       1.282  -3.020  -1.534  1.00  0.00           H  
HETATM   56  H   UNL     1       2.481  -5.100  -0.992  1.00  0.00           H  
HETATM   57  H   UNL     1       5.121  -2.902   1.556  1.00  0.00           H  
HETATM   58  H   UNL     1       3.916  -0.828   1.005  1.00  0.00           H  
HETATM   59  H   UNL     1       1.379  -0.599  -1.637  1.00  0.00           H  
HETATM   60  H   UNL     1       2.477   0.315  -0.576  1.00  0.00           H  
CONECT    1    2   18   30   31                                       
CONECT    2    1    4   32   33                                       
CONECT    3   13   13                                                 
CONECT    4    2    7   34   35                                       
CONECT    5   13    9   11                                            
CONECT    6   17   36                                                 
CONECT    7    4   15    9   37                                       
CONECT    8   21   38   39                                            
CONECT    9    7    5   40   41                                       
CONECT   10   26   42   43                                            
CONECT   11    5   12   44   45                                       
CONECT   12   11   23   23   19                                       
CONECT   13    3    3   29    5                                       
CONECT   14   28   29   24   24                                       
CONECT   15   16    7   46   47                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16    6   48   49                                       
CONECT   18    1   16   16   50                                       
CONECT   19   12   20   20   51                                       
CONECT   20   19   19   21   52                                       
CONECT   21   22   22   20    8                                       
CONECT   22   23   21   21   53                                       
CONECT   23   12   12   22   54                                       
CONECT   24   14   14   25   55                                       
CONECT   25   26   26   24   56                                       
CONECT   26   27   10   25   25                                       
CONECT   27   28   28   26   57                                       
CONECT   28   27   27   14   58                                       
CONECT   29   13   14   59   60                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
