COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.652  -1.918  -0.274  1.00  0.00           O  
HETATM    2  C   UNL     1       2.894  -0.972  -0.234  1.00  0.00           C  
HETATM    3  C   UNL     1       3.434   0.432  -0.326  1.00  0.00           C  
HETATM    4  C   UNL     1       3.668   0.984   1.082  1.00  0.00           C  
HETATM    5  C   UNL     1       4.274   2.385   0.982  1.00  0.00           C  
HETATM    6  N   UNL     1       5.542   2.320   0.245  1.00  0.00           N  
HETATM    7  C   UNL     1       6.220   3.623   0.249  1.00  0.00           C  
HETATM    8  C   UNL     1       5.336   1.838  -1.126  1.00  0.00           C  
HETATM    9  C   UNL     1       4.762   0.419  -1.088  1.00  0.00           C  
HETATM   10  N   UNL     1       1.567  -1.177  -0.113  1.00  0.00           N  
HETATM   11  C   UNL     1       0.512  -0.158  -0.159  1.00  0.00           C  
HETATM   12  C   UNL     1       0.890  -2.464   0.086  1.00  0.00           C  
HETATM   13  C   UNL     1       1.368  -3.107   1.389  1.00  0.00           C  
HETATM   14  C   UNL     1       1.187  -3.394  -1.092  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.591  -2.189   0.163  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.791  -2.792   0.321  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.781  -1.804   0.279  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.195  -0.644   0.102  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.808  -0.865   0.023  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.838   0.598   0.006  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.181   0.670   0.096  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.833  -0.340   0.261  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.872   2.005  -0.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.384   1.808   0.126  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.076   3.172   0.146  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.899   0.992  -1.061  1.00  0.00           C  
HETATM   27  H   UNL     1       2.718   1.064  -0.851  1.00  0.00           H  
HETATM   28  H   UNL     1       2.719   1.035   1.616  1.00  0.00           H  
HETATM   29  H   UNL     1       4.353   0.329   1.621  1.00  0.00           H  
HETATM   30  H   UNL     1       5.465  -0.244  -0.584  1.00  0.00           H  
HETATM   31  H   UNL     1       4.595   0.068  -2.106  1.00  0.00           H  
HETATM   32  H   UNL     1       3.582   3.043   0.456  1.00  0.00           H  
HETATM   33  H   UNL     1       4.455   2.776   1.983  1.00  0.00           H  
HETATM   34  H   UNL     1       6.428   3.923   1.276  1.00  0.00           H  
HETATM   35  H   UNL     1       7.157   3.547  -0.303  1.00  0.00           H  
HETATM   36  H   UNL     1       5.580   4.368  -0.224  1.00  0.00           H  
HETATM   37  H   UNL     1       4.639   2.498  -1.642  1.00  0.00           H  
HETATM   38  H   UNL     1       6.289   1.830  -1.656  1.00  0.00           H  
HETATM   39  H   UNL     1       0.659   0.563   0.644  1.00  0.00           H  
HETATM   40  H   UNL     1       0.530   0.350  -1.123  1.00  0.00           H  
HETATM   41  H   UNL     1       1.138  -2.446   2.225  1.00  0.00           H  
HETATM   42  H   UNL     1       0.861  -4.061   1.530  1.00  0.00           H  
HETATM   43  H   UNL     1       2.444  -3.270   1.340  1.00  0.00           H  
HETATM   44  H   UNL     1       2.262  -3.560  -1.161  1.00  0.00           H  
HETATM   45  H   UNL     1       0.681  -4.347  -0.938  1.00  0.00           H  
HETATM   46  H   UNL     1       0.830  -2.938  -2.015  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.939  -3.743   0.441  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.317   1.405  -0.126  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.519   2.660   0.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.649   2.456  -0.974  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.600   1.277   1.053  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.859   3.703  -0.781  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.153   3.032   0.242  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.709   3.754   0.992  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.406   0.020  -1.075  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.976   0.852  -0.966  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.682   1.523  -1.988  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    9   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7    8                                            
CONECT    7    6   34   35   36                                       
CONECT    8    6    9   37   38                                       
CONECT    9    3    8   30   31                                       
CONECT   10    2   11   12                                            
CONECT   11   10   19   39   40                                       
CONECT   12   10   13   14   15                                       
CONECT   13   12   41   42   43                                       
CONECT   14   12   44   45   46                                       
CONECT   15   12   16   19   19                                       
CONECT   16   15   17   47                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   20                                       
CONECT   19   11   15   15   18                                       
CONECT   20   18   21   48                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   49   50                                       
CONECT   24   23   25   26   51                                       
CONECT   25   24   52   53   54                                       
CONECT   26   24   55   56   57                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
