COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.251  -4.392   0.427  1.00  0.00           N  
HETATM    2  C   UNL     1       3.737  -3.372   1.344  1.00  0.00           C  
HETATM    3  C   UNL     1       4.718  -2.398   0.691  1.00  0.00           C  
HETATM    4  C   UNL     1       4.872  -1.160   1.577  1.00  0.00           C  
HETATM    5  C   UNL     1       6.078  -3.078   0.525  1.00  0.00           C  
HETATM    6  C   UNL     1       4.189  -1.977  -0.683  1.00  0.00           C  
HETATM    7  C   UNL     1       2.699  -1.713  -0.604  1.00  0.00           C  
HETATM    8  C   UNL     1       2.106  -0.452  -0.680  1.00  0.00           C  
HETATM    9  C   UNL     1       2.881   0.781  -0.860  1.00  0.00           C  
HETATM   10  N   UNL     1       3.326   1.460   0.216  1.00  0.00           N  
HETATM   11  C   UNL     1       4.100   2.691   0.036  1.00  0.00           C  
HETATM   12  C   UNL     1       3.144   3.875  -0.131  1.00  0.00           C  
HETATM   13  N   UNL     1       3.918   5.112  -0.290  1.00  0.00           N  
HETATM   14  C   UNL     1       4.739   5.381   0.898  1.00  0.00           C  
HETATM   15  C   UNL     1       5.742   4.243   1.096  1.00  0.00           C  
HETATM   16  C   UNL     1       4.983   2.924   1.265  1.00  0.00           C  
HETATM   17  O   UNL     1       3.120   1.191  -1.980  1.00  0.00           O  
HETATM   18  C   UNL     1       0.732  -0.462  -0.573  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.068   0.657  -0.618  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.441   0.547  -0.375  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.348   1.253  -1.159  1.00  0.00           C  
HETATM   22  F   UNL     1      -1.903   2.047  -2.158  1.00  0.00           F  
HETATM   23  C   UNL     1      -3.704   1.140  -0.915  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.159   0.326   0.107  1.00  0.00           C  
HETATM   25  I   UNL     1      -6.215   0.158   0.472  1.00  0.00           I  
HETATM   26  C   UNL     1      -3.259  -0.377   0.887  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.903  -0.273   0.646  1.00  0.00           C  
HETATM   28  S   UNL     1       0.162  -2.059  -0.378  1.00  0.00           S  
HETATM   29  C   UNL     1       1.787  -2.704  -0.446  1.00  0.00           C  
HETATM   30  C   UNL     1       2.185  -4.124  -0.362  1.00  0.00           C  
HETATM   31  O   UNL     1       1.591  -4.999  -0.964  1.00  0.00           O  
HETATM   32  H   UNL     1       3.690  -5.255   0.378  1.00  0.00           H  
HETATM   33  H   UNL     1       2.886  -2.809   1.726  1.00  0.00           H  
HETATM   34  H   UNL     1       4.235  -3.862   2.181  1.00  0.00           H  
HETATM   35  H   UNL     1       5.252  -1.458   2.555  1.00  0.00           H  
HETATM   36  H   UNL     1       5.571  -0.465   1.112  1.00  0.00           H  
HETATM   37  H   UNL     1       3.903  -0.675   1.697  1.00  0.00           H  
HETATM   38  H   UNL     1       5.969  -3.961  -0.105  1.00  0.00           H  
HETATM   39  H   UNL     1       6.778  -2.384   0.060  1.00  0.00           H  
HETATM   40  H   UNL     1       6.457  -3.375   1.503  1.00  0.00           H  
HETATM   41  H   UNL     1       4.701  -1.071  -1.006  1.00  0.00           H  
HETATM   42  H   UNL     1       4.376  -2.775  -1.402  1.00  0.00           H  
HETATM   43  H   UNL     1       3.135   1.133   1.109  1.00  0.00           H  
HETATM   44  H   UNL     1       4.726   2.601  -0.851  1.00  0.00           H  
HETATM   45  H   UNL     1       2.523   3.719  -1.013  1.00  0.00           H  
HETATM   46  H   UNL     1       2.508   3.955   0.751  1.00  0.00           H  
HETATM   47  H   UNL     1       4.488   5.078  -1.122  1.00  0.00           H  
HETATM   48  H   UNL     1       5.276   6.320   0.763  1.00  0.00           H  
HETATM   49  H   UNL     1       4.095   5.455   1.775  1.00  0.00           H  
HETATM   50  H   UNL     1       6.395   4.178   0.226  1.00  0.00           H  
HETATM   51  H   UNL     1       6.340   4.436   1.986  1.00  0.00           H  
HETATM   52  H   UNL     1       4.359   2.975   2.158  1.00  0.00           H  
HETATM   53  H   UNL     1       5.694   2.104   1.363  1.00  0.00           H  
HETATM   54  H   UNL     1       0.321   1.523  -0.819  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.409   1.689  -1.523  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.618  -1.011   1.685  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.202  -0.822   1.257  1.00  0.00           H  
CONECT    1   30    2   32                                            
CONECT    2    1    3   33   34                                       
CONECT    3    2    5    4    6                                       
CONECT    4    3   35   36   37                                       
CONECT    5    3   38   39   40                                       
CONECT    6    3    7   41   42                                       
CONECT    7    6   29   29    8                                       
CONECT    8    7   18   18    9                                       
CONECT    9    8   17   17   10                                       
CONECT   10    9   11   43                                            
CONECT   11   10   16   12   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   47                                            
CONECT   14   13   15   48   49                                       
CONECT   15   14   16   50   51                                       
CONECT   16   11   15   52   53                                       
CONECT   17    9    9                                                 
CONECT   18    8    8   28   19                                       
CONECT   19   18   20   54                                            
CONECT   20   19   27   27   21                                       
CONECT   21   20   23   23   22                                       
CONECT   22   21                                                      
CONECT   23   21   21   24   55                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   56                                       
CONECT   27   20   20   26   57                                       
CONECT   28   18   29                                                 
CONECT   29    7    7   28   30                                       
CONECT   30    1   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
