COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.200   1.474   0.408  1.00  0.00           C  
HETATM    2  C   UNL     1       1.881   1.054   0.573  1.00  0.00           C  
HETATM    3  C   UNL     1       6.669   0.644  -0.391  1.00  0.00           C  
HETATM    4  C   UNL     1       2.456  -1.134   0.077  1.00  0.00           C  
HETATM    5  C   UNL     1       3.788  -0.800  -0.115  1.00  0.00           C  
HETATM    6  C   UNL     1       4.176   0.522   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       7.094  -0.356   0.686  1.00  0.00           C  
HETATM    8  C   UNL     1       6.573  -0.070  -1.741  1.00  0.00           C  
HETATM    9  N   UNL     1       3.835   2.670   0.507  1.00  0.00           N  
HETATM   10  C   UNL     1       6.125   3.620   0.260  1.00  0.00           C  
HETATM   11  C   UNL     1       5.100   2.515   0.248  1.00  0.00           C  
HETATM   12  N   UNL     1       1.559  -0.212   0.405  1.00  0.00           N  
HETATM   13  N   UNL     1       5.363   1.210  -0.044  1.00  0.00           N  
HETATM   14  N   UNL     1       2.050  -2.458  -0.088  1.00  0.00           N  
HETATM   15  C   UNL     1       0.704  -2.784  -0.014  1.00  0.00           C  
HETATM   16  C   UNL     1       0.296  -4.119  -0.061  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.055  -4.397   0.016  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.917  -3.398   0.131  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.501  -2.141   0.172  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.215  -1.832   0.107  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.434  -1.125   0.292  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.298  -0.155  -0.801  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.243   1.025  -0.558  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.683   0.512  -0.482  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.786  -0.533   0.633  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.797  -1.667   0.355  1.00  0.00           C  
HETATM   27  S   UNL     1      -5.801   1.894  -0.122  1.00  0.00           S  
HETATM   28  O   UNL     1      -5.433   2.460   1.129  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.871   2.731  -1.268  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.393   1.048   0.073  1.00  0.00           C  
HETATM   31  H   UNL     1       1.118   1.771   0.840  1.00  0.00           H  
HETATM   32  H   UNL     1       7.406   1.444  -0.455  1.00  0.00           H  
HETATM   33  H   UNL     1       4.511  -1.556  -0.382  1.00  0.00           H  
HETATM   34  H   UNL     1       8.103  -0.710   0.475  1.00  0.00           H  
HETATM   35  H   UNL     1       7.075   0.131   1.661  1.00  0.00           H  
HETATM   36  H   UNL     1       6.405  -1.201   0.689  1.00  0.00           H  
HETATM   37  H   UNL     1       5.835  -0.870  -1.677  1.00  0.00           H  
HETATM   38  H   UNL     1       6.270   0.642  -2.508  1.00  0.00           H  
HETATM   39  H   UNL     1       7.544  -0.491  -1.999  1.00  0.00           H  
HETATM   40  H   UNL     1       6.492   3.765   1.276  1.00  0.00           H  
HETATM   41  H   UNL     1       6.956   3.352  -0.392  1.00  0.00           H  
HETATM   42  H   UNL     1       5.668   4.543  -0.097  1.00  0.00           H  
HETATM   43  H   UNL     1       2.709  -3.150  -0.254  1.00  0.00           H  
HETATM   44  H   UNL     1       1.020  -4.915  -0.154  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.404  -5.419  -0.017  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.270   0.206  -0.842  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.553  -0.634  -1.746  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.980   1.514   0.380  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.153   1.738  -1.378  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.959   0.057  -1.433  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.548  -0.069   1.590  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.800  -0.933   0.664  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.044  -2.140  -0.595  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.858  -2.406   1.154  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.325   0.329   0.890  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.169   1.780   0.298  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.643   0.525  -0.850  1.00  0.00           H  
CONECT    1    6    6    2    9                                       
CONECT    2   12   12    1   31                                       
CONECT    3    7    8   13   32                                       
CONECT    4   14    5    5   12                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5   13    1    1                                       
CONECT    7    3   34   35   36                                       
CONECT    8    3   37   38   39                                       
CONECT    9    1   11   11                                            
CONECT   10   11   40   41   42                                       
CONECT   11   13    9    9   10                                       
CONECT   12    4    2    2                                            
CONECT   13    3    6   11                                            
CONECT   14   15    4   43                                            
CONECT   15   16   16   20   14                                       
CONECT   16   17   15   15   44                                       
CONECT   17   18   18   16   45                                       
CONECT   18   17   17   19                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19   15                                            
CONECT   21   22   19   26                                            
CONECT   22   23   21   46   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   27   25   50                                       
CONECT   25   24   26   51   52                                       
CONECT   26   21   25   53   54                                       
CONECT   27   29   29   30   24                                       
CONECT   27   28   28                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   55   56   57                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
