COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.991  -1.538   2.703  1.00  0.00           C  
HETATM    2  C   UNL     1       2.691  -0.896   1.347  1.00  0.00           C  
HETATM    3  C   UNL     1       2.429  -1.974   0.270  1.00  0.00           C  
HETATM    4  C   UNL     1       4.451  -1.020  -0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       3.918  -0.195   0.796  1.00  0.00           C  
HETATM    6  C   UNL     1       4.510   1.011   1.101  1.00  0.00           C  
HETATM    7  C   UNL     1       5.644   1.416   0.421  1.00  0.00           C  
HETATM    8  C   UNL     1       6.180   0.607  -0.564  1.00  0.00           C  
HETATM    9  C   UNL     1       5.592  -0.603  -0.868  1.00  0.00           C  
HETATM   10  C   UNL     1       1.452  -1.472  -0.762  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.769  -0.707  -1.411  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.110  -0.477  -0.763  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.502   0.686  -0.206  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.783   0.666   0.326  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.406  -0.524   0.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.767  -0.829   0.655  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.635   1.889  -0.164  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.127   3.121  -0.591  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.316   4.237  -0.550  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.016   4.134  -0.086  1.00  0.00           C  
HETATM   21  C   UNL     1       0.477   2.913   0.338  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.327   1.792   0.306  1.00  0.00           C  
HETATM   23  N   UNL     1       0.181  -1.196  -0.408  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.300  -2.087   0.455  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.472   0.090   1.260  1.00  0.00           N  
HETATM   26  O   UNL     1       3.729  -2.167  -0.311  1.00  0.00           O  
HETATM   27  O   UNL     1       1.809  -1.316  -1.910  1.00  0.00           O  
HETATM   28  S   UNL     1      -3.342  -1.651  -0.641  1.00  0.00           S  
HETATM   29  H   UNL     1       3.277  -0.765   3.417  1.00  0.00           H  
HETATM   30  H   UNL     1       2.103  -2.056   3.064  1.00  0.00           H  
HETATM   31  H   UNL     1       3.808  -2.251   2.594  1.00  0.00           H  
HETATM   32  H   UNL     1       1.850  -0.206   1.423  1.00  0.00           H  
HETATM   33  H   UNL     1       2.069  -2.897   0.727  1.00  0.00           H  
HETATM   34  H   UNL     1       4.088   1.640   1.871  1.00  0.00           H  
HETATM   35  H   UNL     1       6.110   2.361   0.658  1.00  0.00           H  
HETATM   36  H   UNL     1       7.064   0.923  -1.098  1.00  0.00           H  
HETATM   37  H   UNL     1       6.016  -1.229  -1.639  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.871  -1.447  -2.205  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.403   0.229  -1.832  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.238   1.520   0.806  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.141   3.202  -0.953  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.696   5.192  -0.880  1.00  0.00           H  
HETATM   43  H   UNL     1       0.615   5.009  -0.056  1.00  0.00           H  
HETATM   44  H   UNL     1       1.493   2.838   0.698  1.00  0.00           H  
HETATM   45  H   UNL     1       0.060   0.840   0.638  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.105  -1.321   0.510  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.777  -2.769   0.005  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.369  -0.112   1.569  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.198  -2.288   0.763  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    5   32                                       
CONECT    3   10    2   26   33                                       
CONECT    4   26    5    5    9                                       
CONECT    5    2    4    4    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9    4    8    8   37                                       
CONECT   10   27   27   23    3                                       
CONECT   11   12   23   38   39                                       
CONECT   12   13   13   28   11                                       
CONECT   13   17   14   12   12                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16   28                                       
CONECT   16   25   25   15   24                                       
CONECT   17   22   22   18   13                                       
CONECT   18   19   19   17   41                                       
CONECT   19   20   18   18   42                                       
CONECT   20   21   21   19   43                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   17   17   45                                       
CONECT   23   11   10   46                                            
CONECT   24   16   47   49                                            
CONECT   25   16   16   48                                            
CONECT   26    3    4                                                 
CONECT   27   10   10                                                 
CONECT   28   15   12                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
