COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.208   2.709  -0.086  1.00  0.00           C  
HETATM    2  N   UNL     1       8.692   1.339  -0.036  1.00  0.00           N  
HETATM    3  C   UNL     1       7.400   1.126  -0.041  1.00  0.00           C  
HETATM    4  N   UNL     1       6.401   2.062  -0.090  1.00  0.00           N  
HETATM    5  C   UNL     1       5.129   1.602  -0.085  1.00  0.00           C  
HETATM    6  C   UNL     1       3.961   2.552  -0.137  1.00  0.00           C  
HETATM    7  C   UNL     1       4.940   0.274  -0.033  1.00  0.00           C  
HETATM    8  C   UNL     1       3.654  -0.442  -0.018  1.00  0.00           C  
HETATM    9  N   UNL     1       2.503   0.229  -0.058  1.00  0.00           N  
HETATM   10  C   UNL     1       1.345  -0.413  -0.044  1.00  0.00           C  
HETATM   11  N   UNL     1       0.174   0.319  -0.087  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.057  -0.336  -0.191  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.181   0.192   0.430  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.395  -0.457   0.326  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.822   0.212   1.113  1.00  0.00           S  
HETATM   16  N   UNL     1      -5.886   0.640  -0.082  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.887  -0.315  -0.582  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.260   0.366  -0.559  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.176   1.617  -1.247  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.281   2.556  -0.646  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.862   1.988  -0.670  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.427  -0.858   1.825  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.408   1.422   1.734  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.492  -1.633  -0.396  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.819  -2.339  -0.508  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.375  -2.162  -1.015  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.159  -1.514  -0.919  1.00  0.00           C  
HETATM   28  N   UNL     1       1.274  -1.737   0.009  1.00  0.00           N  
HETATM   29  C   UNL     1       2.364  -2.481   0.051  1.00  0.00           C  
HETATM   30  C   UNL     1       3.615  -1.856   0.033  1.00  0.00           C  
HETATM   31  C   UNL     1       4.823  -2.625   0.072  1.00  0.00           C  
HETATM   32  N   UNL     1       5.781  -3.234   0.102  1.00  0.00           N  
HETATM   33  S   UNL     1       6.564  -0.437   0.006  1.00  0.00           S  
HETATM   34  H   UNL     1      10.298   2.687  -0.074  1.00  0.00           H  
HETATM   35  H   UNL     1       8.865   3.193  -1.001  1.00  0.00           H  
HETATM   36  H   UNL     1       8.846   3.266   0.778  1.00  0.00           H  
HETATM   37  H   UNL     1       6.597   3.011  -0.126  1.00  0.00           H  
HETATM   38  H   UNL     1       4.327   3.578  -0.175  1.00  0.00           H  
HETATM   39  H   UNL     1       3.365   2.347  -1.026  1.00  0.00           H  
HETATM   40  H   UNL     1       3.344   2.419   0.752  1.00  0.00           H  
HETATM   41  H   UNL     1       0.206   1.288  -0.046  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.106   1.111   0.994  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.287  -1.925  -1.407  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.639  -0.607  -1.603  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.905  -1.198   0.058  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.201   2.631  -0.089  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.509   1.933  -1.700  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.992  -0.273  -1.053  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.564   0.539   0.474  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.309   3.493  -1.203  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.581   2.736   0.386  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.353  -1.971  -1.383  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.652  -3.412  -0.609  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.410  -2.146   0.387  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.454  -3.080  -1.578  1.00  0.00           H  
HETATM   56  H   UNL     1       2.291  -3.558   0.094  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   33                                       
CONECT    4    3    5   37                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   38   39   40                                       
CONECT    7    5    5    8   33                                       
CONECT    8    7    9   30   30                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   28                                       
CONECT   11   10   12   41                                            
CONECT   12   11   13   27   27                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   24                                       
CONECT   15   14   16   22   22                                       
CONECT   15   23   23                                                 
CONECT   16   15   17   21                                            
CONECT   17   16   18   44   45                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   50   51                                       
CONECT   21   16   20   46   47                                       
CONECT   22   15   15                                                 
CONECT   23   15   15                                                 
CONECT   24   14   25   26   26                                       
CONECT   25   24   52   53   54                                       
CONECT   26   24   24   27   55                                       
CONECT   27   12   12   26   43                                       
CONECT   28   10   29   29                                            
CONECT   29   28   28   30   56                                       
CONECT   30    8    8   29   31                                       
CONECT   31   30   32   32   32                                       
CONECT   32   31   31   31                                            
CONECT   33    3    7                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   27                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
