COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.302  -2.040  -0.808  1.00  0.00           C  
HETATM    2  C   UNL     1       4.762  -0.479  -1.809  1.00  0.00           C  
HETATM    3  O   UNL     1     -11.573   0.680  -1.027  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.567   0.164  -0.578  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.310   0.917  -0.455  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.186   2.252  -0.838  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.963   2.872  -0.682  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.922   2.229  -0.183  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.980   0.965   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.184   0.252   0.077  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.301  -1.043   0.449  1.00  0.00           N  
HETATM   12  C   UNL     1      -9.424  -1.686   0.329  1.00  0.00           C  
HETATM   13  N   UNL     1     -10.559  -1.126  -0.164  1.00  0.00           N  
HETATM   14  N   UNL     1      -5.846   0.340   0.719  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.836  -0.760   1.587  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.590  -1.059   1.854  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.764  -0.163   1.166  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.556   0.685   0.470  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.257  -0.148   1.193  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.719  -1.036   0.069  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.250  -1.022   0.095  1.00  0.00           N  
HETATM   22  C   UNL     1       1.823  -2.095  -0.647  1.00  0.00           C  
HETATM   23  C   UNL     1       2.416  -0.721  -0.973  1.00  0.00           C  
HETATM   24  C   UNL     1       1.788   0.328  -0.051  1.00  0.00           C  
HETATM   25  C   UNL     1       0.269   0.313  -0.229  1.00  0.00           C  
HETATM   26  C   UNL     1       3.907  -0.753  -0.758  1.00  0.00           C  
HETATM   27  C   UNL     1       4.420  -1.057   0.489  1.00  0.00           C  
HETATM   28  C   UNL     1       5.788  -1.085   0.686  1.00  0.00           C  
HETATM   29  C   UNL     1       6.643  -0.810  -0.364  1.00  0.00           C  
HETATM   30  C   UNL     1       6.130  -0.513  -1.613  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.125  -3.013  -0.563  1.00  0.00           H  
HETATM   32  H   UNL     1       0.055  -1.784  -1.838  1.00  0.00           H  
HETATM   33  H   UNL     1       4.362  -0.242  -2.783  1.00  0.00           H  
HETATM   34  H   UNL     1     -10.029   2.789  -1.248  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.854   3.905  -0.976  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.458  -2.719   0.643  1.00  0.00           H  
HETATM   37  H   UNL     1     -11.368  -1.656  -0.230  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.257  -1.862   2.495  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.223   1.495  -0.162  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.901   0.872   1.051  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.907  -0.525   2.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.075  -2.057   0.211  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.069  -0.659  -0.891  1.00  0.00           H  
HETATM   44  H   UNL     1       2.070  -2.365   0.380  1.00  0.00           H  
HETATM   45  H   UNL     1       2.234  -2.840  -1.328  1.00  0.00           H  
HETATM   46  H   UNL     1       2.201  -0.469  -2.011  1.00  0.00           H  
HETATM   47  H   UNL     1       2.036   0.097   0.985  1.00  0.00           H  
HETATM   48  H   UNL     1       2.175   1.314  -0.306  1.00  0.00           H  
HETATM   49  H   UNL     1       0.022   0.558  -1.262  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.182   1.049   0.437  1.00  0.00           H  
HETATM   51  H   UNL     1       3.751  -1.271   1.310  1.00  0.00           H  
HETATM   52  H   UNL     1       6.188  -1.322   1.661  1.00  0.00           H  
HETATM   53  H   UNL     1       6.799  -0.298  -2.434  1.00  0.00           H  
HETATM   54  C   UNL     1       8.134  -0.847  -0.151  1.00  0.00           C  
HETATM   55  C   UNL     1       8.625   0.543   0.261  1.00  0.00           C  
HETATM   56  N   UNL     1      10.079   0.507   0.468  1.00  0.00           N  
HETATM   57  C   UNL     1      12.290   0.166  -0.524  1.00  0.00           C  
HETATM   58  C   UNL     1      10.786   0.254  -0.796  1.00  0.00           C  
HETATM   59  C   UNL     1      10.553   1.752   1.090  1.00  0.00           C  
HETATM   60  C   UNL     1      12.059   1.648   1.343  1.00  0.00           C  
HETATM   61  O   UNL     1      12.727   1.372   0.109  1.00  0.00           O  
HETATM   62  H   UNL     1       8.372  -1.564   0.635  1.00  0.00           H  
HETATM   63  H   UNL     1       8.627  -1.146  -1.077  1.00  0.00           H  
HETATM   64  H   UNL     1       8.388   1.260  -0.525  1.00  0.00           H  
HETATM   65  H   UNL     1       8.133   0.842   1.186  1.00  0.00           H  
HETATM   66  H   UNL     1      12.492  -0.683   0.130  1.00  0.00           H  
HETATM   67  H   UNL     1      12.823   0.035  -1.466  1.00  0.00           H  
HETATM   68  H   UNL     1      10.438  -0.685  -1.226  1.00  0.00           H  
HETATM   69  H   UNL     1      10.589   1.069  -1.492  1.00  0.00           H  
HETATM   70  H   UNL     1      10.352   2.591   0.424  1.00  0.00           H  
HETATM   71  H   UNL     1      10.035   1.906   2.037  1.00  0.00           H  
HETATM   72  H   UNL     1      12.425   2.590   1.752  1.00  0.00           H  
HETATM   73  H   UNL     1      12.255   0.843   2.051  1.00  0.00           H  
CONECT    1   22   21   31   32                                       
CONECT    2   30   26   26   33                                       
CONECT    3    4    4                                                 
CONECT    4   13    5    3    3                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8    9    7    7                                            
CONECT    9   14   10   10    8                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   36                                       
CONECT   13   12    4   37                                            
CONECT   14   18   15    9                                            
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   38                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17   14   39                                       
CONECT   19   20   17   40   41                                       
CONECT   20   21   19   42   43                                       
CONECT   21   25    1   20                                            
CONECT   22   23    1   44   45                                       
CONECT   23   26   24   22   46                                       
CONECT   24   23   25   47   48                                       
CONECT   25   24   21   49   50                                       
CONECT   26    2    2   27   23                                       
CONECT   27   28   28   26   51                                       
CONECT   28   29   27   27   52                                       
CONECT   29   30   30   28   54                                       
CONECT   30   29   29    2   53                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   29   55   62   63                                       
CONECT   55   54   56   64   65                                       
CONECT   56   55   58   59                                            
CONECT   57   58   61   66   67                                       
CONECT   58   57   56   68   69                                       
CONECT   59   56   60   70   71                                       
CONECT   60   59   61   72   73                                       
CONECT   61   60   57                                                 
CONECT   62   54                                                      
CONECT   63   54                                                      
CONECT   64   55                                                      
CONECT   65   55                                                      
CONECT   66   57                                                      
CONECT   67   57                                                      
CONECT   68   58                                                      
CONECT   69   58                                                      
CONECT   70   59                                                      
CONECT   71   59                                                      
CONECT   72   60                                                      
CONECT   73   60                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
