COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.330  -1.353   0.469  1.00  0.00           C  
HETATM    2  C   UNL     1       0.981  -1.119   0.627  1.00  0.00           C  
HETATM    3  C   UNL     1       0.476   0.164   0.473  1.00  0.00           C  
HETATM    4  C   UNL     1       1.342   1.211   0.159  1.00  0.00           C  
HETATM    5  C   UNL     1       2.697   0.970   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       3.204  -0.317   0.164  1.00  0.00           C  
HETATM    7  C   UNL     1       1.453   3.432   0.963  1.00  0.00           C  
HETATM    8  C   UNL     1       0.835   4.822   0.792  1.00  0.00           C  
HETATM    9  C   UNL     1       3.157  -2.622   0.554  1.00  0.00           C  
HETATM   10  C   UNL     1       4.457  -2.526  -1.616  1.00  0.00           C  
HETATM   11  C   UNL     1       4.478  -2.189  -0.124  1.00  0.00           C  
HETATM   12  O   UNL     1       4.488  -0.765   0.076  1.00  0.00           O  
HETATM   13  N   UNL     1       0.841   2.507  -0.002  1.00  0.00           N  
HETATM   14  O   UNL     1       1.012   5.254  -0.560  1.00  0.00           O  
HETATM   15  C   UNL     1       0.427   4.377  -1.526  1.00  0.00           C  
HETATM   16  C   UNL     1       1.042   2.982  -1.379  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.896   0.407   0.631  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.794  -0.523   0.249  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.413  -1.605  -0.159  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.228  -0.232   0.325  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.818   0.966   0.766  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.117   0.849   0.689  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.443  -0.421   0.199  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.280  -1.097  -0.036  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.298  -2.341  -0.517  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.435  -2.946  -0.779  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.649  -2.286  -0.556  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.639  -1.023  -0.059  1.00  0.00           C  
HETATM   29  C   UNL     1       5.682  -2.840   0.560  1.00  0.00           C  
HETATM   30  O   UNL     1       6.887  -2.373  -0.050  1.00  0.00           O  
HETATM   31  H   UNL     1       0.316  -1.935   0.869  1.00  0.00           H  
HETATM   32  H   UNL     1       3.364   1.784  -0.237  1.00  0.00           H  
HETATM   33  H   UNL     1       2.527   3.487   0.784  1.00  0.00           H  
HETATM   34  H   UNL     1       1.271   3.075   1.976  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.229   4.778   1.023  1.00  0.00           H  
HETATM   36  H   UNL     1       1.326   5.524   1.466  1.00  0.00           H  
HETATM   37  H   UNL     1       3.328  -2.906   1.593  1.00  0.00           H  
HETATM   38  H   UNL     1       2.683  -3.433   0.003  1.00  0.00           H  
HETATM   39  H   UNL     1       5.356  -2.131  -2.091  1.00  0.00           H  
HETATM   40  H   UNL     1       4.425  -3.608  -1.744  1.00  0.00           H  
HETATM   41  H   UNL     1       3.577  -2.079  -2.077  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.649   4.319  -1.362  1.00  0.00           H  
HETATM   43  H   UNL     1       0.623   4.757  -2.529  1.00  0.00           H  
HETATM   44  H   UNL     1       2.109   3.030  -1.595  1.00  0.00           H  
HETATM   45  H   UNL     1       0.559   2.296  -2.075  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.200   1.244   1.016  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.284   1.840   1.111  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.433  -3.954  -1.168  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.586  -2.780  -0.770  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.565  -0.497   0.118  1.00  0.00           H  
HETATM   51  H   UNL     1       5.685  -2.578   1.618  1.00  0.00           H  
HETATM   52  H   UNL     1       5.618  -3.923   0.455  1.00  0.00           H  
HETATM   53  H   UNL     1       7.692  -2.745   0.334  1.00  0.00           H  
CONECT    1    9    6    2    2                                       
CONECT    2    1    1    3   31                                       
CONECT    3    4    4    2   17                                       
CONECT    4    5   13    3    3                                       
CONECT    5    6    6    4   32                                       
CONECT    6   12    5    5    1                                       
CONECT    7    8   13   33   34                                       
CONECT    8    7   14   35   36                                       
CONECT    9   11    1   37   38                                       
CONECT   10   11   39   40   41                                       
CONECT   11   29   10   12    9                                       
CONECT   12   11    6                                                 
CONECT   13    7    4   16                                            
CONECT   14    8   15                                                 
CONECT   15   14   16   42   43                                       
CONECT   16   13   15   44   45                                       
CONECT   17    3   18   46                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   24   24   21                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   23                                            
CONECT   23   24   22   28                                            
CONECT   24   25   20   20   23                                       
CONECT   25   26   26   24                                            
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   23   27   27   50                                       
CONECT   29   30   11   51   52                                       
CONECT   30   29   53                                                 
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
