COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.975   0.605   0.812  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.400   2.443  -2.718  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.344   3.060  -2.271  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.024   4.109  -3.111  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.783   2.806  -1.022  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.122   1.786  -0.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.343   2.094   1.278  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.745   2.165   1.547  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.715   0.410  -0.524  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.451   0.080  -1.889  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.074  -0.638   0.389  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.291  -0.274   1.754  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.716   0.981   2.122  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.985   1.251   3.604  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.670  -0.701   0.130  1.00  0.00           O  
HETATM   16  P   UNL     1      -2.803  -2.044   0.317  1.00  0.00           P  
HETATM   17  O   UNL     1      -3.298  -3.154  -0.739  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.982  -2.559   1.694  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.247  -1.719   0.064  1.00  0.00           O  
HETATM   20  P   UNL     1       0.125  -2.500   0.379  1.00  0.00           P  
HETATM   21  O   UNL     1       0.453  -2.395   1.952  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.019  -3.923  -0.001  1.00  0.00           O  
HETATM   23  O   UNL     1       1.326  -1.838  -0.464  1.00  0.00           O  
HETATM   24  C   UNL     1       2.651  -2.371  -0.482  1.00  0.00           C  
HETATM   25  C   UNL     1       3.538  -1.505  -1.378  1.00  0.00           C  
HETATM   26  O   UNL     1       3.750  -0.207  -0.781  1.00  0.00           O  
HETATM   27  C   UNL     1       4.966  -2.100  -1.472  1.00  0.00           C  
HETATM   28  O   UNL     1       5.043  -3.079  -2.511  1.00  0.00           O  
HETATM   29  C   UNL     1       5.815  -0.854  -1.823  1.00  0.00           C  
HETATM   30  C   UNL     1       4.942   0.338  -1.372  1.00  0.00           C  
HETATM   31  N   UNL     1       5.666   1.140  -0.384  1.00  0.00           N  
HETATM   32  O   UNL     1       5.649  -0.540   1.058  1.00  0.00           O  
HETATM   33  N   UNL     1       6.645   1.318   1.736  1.00  0.00           N  
HETATM   34  C   UNL     1       6.022   2.427  -0.684  1.00  0.00           C  
HETATM   35  C   UNL     1       6.690   3.166   0.227  1.00  0.00           C  
HETATM   36  C   UNL     1       7.090   4.585  -0.086  1.00  0.00           C  
HETATM   37  C   UNL     1       7.014   2.589   1.479  1.00  0.00           C  
HETATM   38  O   UNL     1       7.620   3.235   2.315  1.00  0.00           O  
HETATM   39  H   UNL     1      -5.533   4.172  -4.082  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.071   3.841  -3.250  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.960   5.075  -2.609  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.538   3.300  -0.664  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.053   1.782  -0.421  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.876   3.048   1.526  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.959   2.358   2.470  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.792   0.431  -0.356  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.795  -0.782  -2.159  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.523  -1.612   0.197  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.641   0.955   1.947  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.061   1.277   3.779  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.539   0.458   4.204  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.548   2.209   3.884  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.210  -2.884  -1.663  1.00  0.00           H  
HETATM   54  H   UNL     1       0.560  -1.489   2.272  1.00  0.00           H  
HETATM   55  H   UNL     1       3.054  -2.378   0.531  1.00  0.00           H  
HETATM   56  H   UNL     1       2.628  -3.390  -0.869  1.00  0.00           H  
HETATM   57  H   UNL     1       3.098  -1.404  -2.370  1.00  0.00           H  
HETATM   58  H   UNL     1       5.275  -2.525  -0.517  1.00  0.00           H  
HETATM   59  H   UNL     1       5.917  -3.480  -2.609  1.00  0.00           H  
HETATM   60  H   UNL     1       6.756  -0.866  -1.275  1.00  0.00           H  
HETATM   61  H   UNL     1       5.998  -0.807  -2.897  1.00  0.00           H  
HETATM   62  H   UNL     1       4.681   0.953  -2.233  1.00  0.00           H  
HETATM   63  H   UNL     1       6.863   0.916   2.592  1.00  0.00           H  
HETATM   64  H   UNL     1       5.771   2.848  -1.646  1.00  0.00           H  
HETATM   65  H   UNL     1       6.293   5.263   0.220  1.00  0.00           H  
HETATM   66  H   UNL     1       8.004   4.832   0.453  1.00  0.00           H  
HETATM   67  H   UNL     1       7.261   4.686  -1.158  1.00  0.00           H  
CONECT    1   33   32   32   31                                       
CONECT    2    3    3                                                 
CONECT    3    4    2    2    5                                       
CONECT    4    3   39   40   41                                       
CONECT    5    3    6   42                                            
CONECT    6    9    5    7   43                                       
CONECT    7    6    8   13   44                                       
CONECT    8    7   45                                                 
CONECT    9   10   11    6   46                                       
CONECT   10    9   47                                                 
CONECT   11    9   15   12   48                                       
CONECT   12   11   13                                                 
CONECT   13   12    7   14   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   16   11                                                 
CONECT   16   19   18   18   15                                       
CONECT   16   17                                                      
CONECT   17   16   53                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16                                                 
CONECT   20   23   22   22   19                                       
CONECT   20   21                                                      
CONECT   21   20   54                                                 
CONECT   22   20   20                                                 
CONECT   23   24   20                                                 
CONECT   24   25   23   55   56                                       
CONECT   25   27   26   24   57                                       
CONECT   26   30   25                                                 
CONECT   27   29   28   25   58                                       
CONECT   28   27   59                                                 
CONECT   29   30   27   60   61                                       
CONECT   30   31   29   26   62                                       
CONECT   31    1   34   30                                            
CONECT   32    1    1                                                 
CONECT   33   37    1   63                                            
CONECT   34   35   35   31   64                                       
CONECT   35   37   36   34   34                                       
CONECT   36   35   65   66   67                                       
CONECT   37   38   38   33   35                                       
CONECT   38   37   37                                                 
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
