COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.395  -0.015  -0.148  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.422  -0.631  -0.353  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.575   0.033  -0.564  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.610   1.423  -0.452  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.434   2.166  -1.291  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.470   3.539  -1.183  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.680   4.184  -0.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.717   5.658  -0.111  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.936   6.293   0.830  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.489   6.356  -0.896  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.854   3.435   0.611  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.826   2.062   0.502  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.405  -2.111  -0.376  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.528  -2.779  -0.605  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.556  -4.098  -0.635  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.729  -4.735  -0.874  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.881  -3.916  -1.082  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.399  -4.848  -0.425  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.206  -4.199  -0.183  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.200  -2.798  -0.161  1.00  0.00           C  
HETATM   21  C   UNL     1       0.053  -2.056   0.094  1.00  0.00           C  
HETATM   22  C   UNL     1       1.107  -2.130  -0.815  1.00  0.00           C  
HETATM   23  C   UNL     1       2.275  -1.439  -0.579  1.00  0.00           C  
HETATM   24  C   UNL     1       0.183  -1.266   1.255  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.931  -1.179   2.219  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.962  -1.787   2.013  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.804  -0.423   3.327  1.00  0.00           O  
HETATM   28  C   UNL     1       1.365  -0.571   1.488  1.00  0.00           C  
HETATM   29  C   UNL     1       2.413  -0.659   0.573  1.00  0.00           C  
HETATM   30  C   UNL     1       3.669   0.079   0.817  1.00  0.00           C  
HETATM   31  O   UNL     1       3.789   0.763   1.816  1.00  0.00           O  
HETATM   32  N   UNL     1       4.683  -0.005  -0.066  1.00  0.00           N  
HETATM   33  CA  UNL     1       5.929   0.726   0.176  1.00  0.00           C  
HETATM   34  C   UNL     1       5.789   2.158  -0.344  1.00  0.00           C  
HETATM   35  O   UNL     1       5.583   2.134  -1.758  1.00  0.00           O  
HETATM   36  C   UNL     1       7.080   0.030  -0.552  1.00  0.00           C  
HETATM   37  C   UNL     1       8.351   0.871  -0.421  1.00  0.00           C  
HETATM   38  C   UNL     1       7.315  -1.349   0.068  1.00  0.00           C  
HETATM   39  C   UNL     1       6.725  -0.130  -2.032  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.381  -0.456  -0.794  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.046   1.667  -2.028  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.110   4.116  -1.834  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.362   5.774   1.414  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.960   7.260   0.908  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.513   7.322  -0.818  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.241   3.932   1.348  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.190   1.482   1.155  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.056  -3.303  -0.198  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.718  -3.271  -1.945  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.750  -4.550  -1.261  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.437  -5.927  -0.449  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.296  -4.758  -0.017  1.00  0.00           H  
HETATM   53  H   UNL     1       1.007  -2.731  -1.707  1.00  0.00           H  
HETATM   54  H   UNL     1       3.088  -1.501  -1.287  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.561  -0.396   3.929  1.00  0.00           H  
HETATM   56  H   UNL     1       1.471   0.036   2.375  1.00  0.00           H  
HETATM   57  H   UNL     1       4.589  -0.550  -0.863  1.00  0.00           H  
HETATM   58  HA  UNL     1       6.136   0.747   1.246  1.00  0.00           H  
HETATM   59  H1  UNL     1       4.938   2.639   0.139  1.00  0.00           H  
HETATM   60  H2  UNL     1       6.698   2.717  -0.119  1.00  0.00           H  
HETATM   61  H   UNL     1       5.485   3.009  -2.157  1.00  0.00           H  
HETATM   62  H   UNL     1       8.604   0.985   0.633  1.00  0.00           H  
HETATM   63  H   UNL     1       9.171   0.375  -0.940  1.00  0.00           H  
HETATM   64  H   UNL     1       8.184   1.854  -0.862  1.00  0.00           H  
HETATM   65  H   UNL     1       6.410  -1.949  -0.026  1.00  0.00           H  
HETATM   66  H   UNL     1       8.135  -1.846  -0.451  1.00  0.00           H  
HETATM   67  H   UNL     1       7.568  -1.235   1.122  1.00  0.00           H  
HETATM   68  H   UNL     1       6.782   0.840  -2.526  1.00  0.00           H  
HETATM   69  H   UNL     1       7.427  -0.819  -2.501  1.00  0.00           H  
HETATM   70  H   UNL     1       5.713  -0.526  -2.122  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   13    3    1    1                                       
CONECT    3    2    4   40                                            
CONECT    4    3   12   12    5                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5    7   42                                       
CONECT    7   11   11    6    8                                       
CONECT    8    7   10   10    9                                       
CONECT    9    8   43   44                                            
CONECT   10    8    8   45                                            
CONECT   11   12    7    7   46                                       
CONECT   12    4    4   11   47                                       
CONECT   13   20   20   14    2                                       
CONECT   14   15   15   13                                            
CONECT   15   18   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   48   49   50                                       
CONECT   18   19   19   15   51                                       
CONECT   19   18   18   20   52                                       
CONECT   20   19   21   13   13                                       
CONECT   21   24   20   22   22                                       
CONECT   22   21   21   23   53                                       
CONECT   23   29   29   22   54                                       
CONECT   24   25   28   28   21                                       
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   55                                                 
CONECT   28   24   24   29   56                                       
CONECT   29   28   30   23   23                                       
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   57                                            
CONECT   33   34   32   36   58                                       
CONECT   34   35   33   59   60                                       
CONECT   35   34   61                                                 
CONECT   36   38   33   39   37                                       
CONECT   37   36   62   63   64                                       
CONECT   38   36   65   66   67                                       
CONECT   39   36   68   69   70                                       
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
