COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.485  -0.071  -0.157  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.109  -1.393   0.168  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.770  -1.637   0.493  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.914  -0.633   0.484  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.558   0.879  -0.146  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.303   0.598   0.173  1.00  0.00           C  
HETATM    7  C   UNL     1       7.745  -0.536  -2.966  1.00  0.00           C  
HETATM    8  C   UNL     1       6.543  -0.283  -2.054  1.00  0.00           C  
HETATM    9  C   UNL     1       4.787  -1.215   0.934  1.00  0.00           C  
HETATM   10  C   UNL     1       3.359  -0.854   0.510  1.00  0.00           C  
HETATM   11  C   UNL     1       3.870   1.516   0.526  1.00  0.00           C  
HETATM   12  C   UNL     1       5.319   1.252   0.950  1.00  0.00           C  
HETATM   13  C   UNL     1       1.655   0.751   0.839  1.00  0.00           C  
HETATM   14  C   UNL     1       0.850  -0.161   0.170  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.483   0.125  -0.049  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.018   1.325   0.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.213   2.238   1.069  1.00  0.00           C  
HETATM   18  C   UNL     1       1.120   1.952   1.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.191   1.617  -0.709  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.094   1.909  -1.909  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.663   1.973  -0.491  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.098  -2.483   0.165  1.00  0.00           C  
HETATM   23  N   UNL     1       5.682  -0.115   0.547  1.00  0.00           N  
HETATM   24  N   UNL     1       3.005   0.459   1.065  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.371   1.615   0.179  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.791   0.226  -0.486  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.746  -3.713   0.590  1.00  0.00           N  
HETATM   28  O   UNL     1       7.403  -1.747   0.004  1.00  0.00           O  
HETATM   29  O   UNL     1       7.924   0.671   0.019  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.233  -2.274  -0.220  1.00  0.00           O  
HETATM   31  S   UNL     1       7.063  -0.406  -0.321  1.00  0.00           S  
HETATM   32  H   UNL     1      -3.442  -2.634   0.748  1.00  0.00           H  
HETATM   33  H   UNL     1       7.432  -0.462  -4.008  1.00  0.00           H  
HETATM   34  H   UNL     1       8.517   0.207  -2.765  1.00  0.00           H  
HETATM   35  H   UNL     1       8.142  -1.533  -2.776  1.00  0.00           H  
HETATM   36  H   UNL     1       6.146   0.714  -2.244  1.00  0.00           H  
HETATM   37  H   UNL     1       5.771  -1.026  -2.256  1.00  0.00           H  
HETATM   38  H   UNL     1       4.824  -1.355   2.014  1.00  0.00           H  
HETATM   39  H   UNL     1       5.097  -2.133   0.433  1.00  0.00           H  
HETATM   40  H   UNL     1       3.301  -0.817  -0.578  1.00  0.00           H  
HETATM   41  H   UNL     1       2.667  -1.607   0.886  1.00  0.00           H  
HETATM   42  H   UNL     1       3.548   2.483   0.914  1.00  0.00           H  
HETATM   43  H   UNL     1       3.805   1.521  -0.562  1.00  0.00           H  
HETATM   44  H   UNL     1       5.980   1.967   0.460  1.00  0.00           H  
HETATM   45  H   UNL     1       5.408   1.354   2.032  1.00  0.00           H  
HETATM   46  H   UNL     1       1.266  -1.094  -0.180  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.110  -0.585  -0.569  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.629   3.171   1.418  1.00  0.00           H  
HETATM   49  H   UNL     1       1.745   2.659   1.812  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.448   2.369  -0.444  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.944   2.853  -2.434  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.390   1.066  -2.533  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.334   1.171  -0.181  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.888   2.958  -0.082  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.652   2.532   0.029  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.444  -0.486  -0.569  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.841  -3.879   0.897  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.398  -4.431   0.588  1.00  0.00           H  
CONECT    1    2    2    5   26                                       
CONECT    2    3   22    1    1                                       
CONECT    3    4    4    2   32                                       
CONECT    4    3    3    6                                            
CONECT    5    6    6    1                                            
CONECT    6    4   25    5    5                                       
CONECT    7    8   33   34   35                                       
CONECT    8    7   31   36   37                                       
CONECT    9   10   23   38   39                                       
CONECT   10    9   24   40   41                                       
CONECT   11   24   12   42   43                                       
CONECT   12   23   11   44   45                                       
CONECT   13   14   14   18   24                                       
CONECT   14   15   13   13   46                                       
CONECT   15   16   16   14   47                                       
CONECT   16   25   15   15   17                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   13   49                                       
CONECT   19   20   26   21   50                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   19   53   54                                       
CONECT   22   27    2   30   30                                       
CONECT   23    9   31   12                                            
CONECT   24   10   13   11                                            
CONECT   25    6   16   55                                            
CONECT   26    1   19   56                                            
CONECT   27   22   57   58                                            
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30   22   22                                                 
CONECT   31    8   23   29   29                                       
CONECT   31   28   28                                                 
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
