COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.957   0.401  -0.420  1.00  0.00           C  
HETATM    2  N   UNL     1       6.848  -0.563  -0.389  1.00  0.00           N  
HETATM    3  O   UNL     1       9.436  -1.330   0.387  1.00  0.00           O  
HETATM    4  S   UNL     1      -0.706  -0.706  -0.021  1.00  0.00           S  
HETATM    5  C   UNL     1       9.274  -0.350  -0.641  1.00  0.00           C  
HETATM    6  C   UNL     1       8.373  -2.286   0.444  1.00  0.00           C  
HETATM    7  C   UNL     1       7.048  -1.555   0.677  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.933   1.131   0.088  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.842   0.071   0.012  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.206   0.370   0.027  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.607   1.705   0.116  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.718   2.675   0.185  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.422   2.437   0.175  1.00  0.00           C  
HETATM   14  C   UNL     1       0.836   0.030   0.043  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.478   0.874   0.082  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.507   1.807   0.155  1.00  0.00           C  
HETATM   17  N   UNL     1       0.716   1.320   0.132  1.00  0.00           N  
HETATM   18  C   UNL     1       5.564   1.479  -0.135  1.00  0.00           C  
HETATM   19  C   UNL     1       4.337   2.088   0.009  1.00  0.00           C  
HETATM   20  N   UNL     1       3.226   1.376   0.050  1.00  0.00           N  
HETATM   21  C   UNL     1       3.240   0.054  -0.043  1.00  0.00           C  
HETATM   22  C   UNL     1       4.437  -0.633  -0.190  1.00  0.00           C  
HETATM   23  C   UNL     1       5.626   0.087  -0.243  1.00  0.00           C  
HETATM   24  N   UNL     1       2.041  -0.652   0.007  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.212  -0.711  -0.051  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.854  -1.870  -0.129  1.00  0.00           O  
HETATM   27  N   UNL     1      -7.526  -0.411  -0.036  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.522  -1.483  -0.113  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.927  -0.876  -0.077  1.00  0.00           C  
HETATM   30  N   UNL     1     -10.926  -1.951  -0.154  1.00  0.00           N  
HETATM   31  H   UNL     1       7.802   1.110  -1.232  1.00  0.00           H  
HETATM   32  H   UNL     1       7.999   0.937   0.528  1.00  0.00           H  
HETATM   33  H   UNL     1       9.253  -0.841  -1.613  1.00  0.00           H  
HETATM   34  H   UNL     1      10.104   0.355  -0.607  1.00  0.00           H  
HETATM   35  H   UNL     1       8.325  -2.835  -0.497  1.00  0.00           H  
HETATM   36  H   UNL     1       8.553  -2.983   1.263  1.00  0.00           H  
HETATM   37  H   UNL     1       7.076  -1.051   1.643  1.00  0.00           H  
HETATM   38  H   UNL     1       6.228  -2.273   0.664  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.498  -0.950  -0.056  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.660   1.946   0.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.728   3.262   0.234  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.715   2.864   0.226  1.00  0.00           H  
HETATM   43  H   UNL     1       6.467   2.070  -0.169  1.00  0.00           H  
HETATM   44  H   UNL     1       4.283   3.164   0.089  1.00  0.00           H  
HETATM   45  H   UNL     1       4.444  -1.710  -0.270  1.00  0.00           H  
HETATM   46  H   UNL     1       2.050  -1.622   0.016  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.812   0.513   0.026  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.389  -2.036  -1.042  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.396  -2.158   0.733  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.060  -0.323   0.852  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.053  -0.201  -0.923  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.789  -2.625   0.583  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.862  -1.576  -0.133  1.00  0.00           H  
CONECT    1    5    2   31   32                                       
CONECT    2    7    1   23                                            
CONECT    3    6    5                                                 
CONECT    4   14   15                                                 
CONECT    5    3    1   33   34                                       
CONECT    6    3    7   35   36                                       
CONECT    7    6    2   37   38                                       
CONECT    8   15   13   13    9                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   11   25                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13   11   11                                            
CONECT   13    8    8   12   41                                       
CONECT   14   24   17   17    4                                       
CONECT   15   16   16    4    8                                       
CONECT   16   17   15   15   42                                       
CONECT   17   14   14   16                                            
CONECT   18   23   19   19   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   21   21   19                                            
CONECT   21   22   24   20   20                                       
CONECT   22   23   23   21   45                                       
CONECT   23    2   22   22   18                                       
CONECT   24   21   14   46                                            
CONECT   25   10   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   47                                            
CONECT   28   27   29   48   49                                       
CONECT   29   28   30   50   51                                       
CONECT   30   29   52   53                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
