COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.159   0.282  -0.333  1.00  0.00           C  
HETATM    2  O   UNL     1       1.937  -1.041   0.637  1.00  0.00           O  
HETATM    3  C   UNL     1       2.177  -0.049  -0.019  1.00  0.00           C  
HETATM    4  N   UNL     1       1.171   0.641  -0.590  1.00  0.00           N  
HETATM    5  C   UNL     1       1.467   1.768  -1.477  1.00  0.00           C  
HETATM    6  C   UNL     1       1.533   3.040  -0.671  1.00  0.00           C  
HETATM    7  C   UNL     1       2.680   3.528  -0.195  1.00  0.00           C  
HETATM    8  S   UNL     1       2.365   5.015   0.691  1.00  0.00           S  
HETATM    9  C   UNL     1       0.643   4.886   0.354  1.00  0.00           C  
HETATM   10  C   UNL     1       0.410   3.792  -0.373  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.439  -0.840   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.750  -1.194   0.687  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.787  -0.428   0.173  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.116  -0.787   0.429  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.064  -0.575  -0.506  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.470  -0.847  -0.198  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.518  -0.673  -1.058  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.733  -1.007  -0.509  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.685  -1.441   0.756  1.00  0.00           C  
HETATM   20  S   UNL     1      -7.080  -1.458   1.334  1.00  0.00           S  
HETATM   21  O   UNL     1      -4.751  -0.157  -1.605  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.507   0.695  -0.596  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.197   1.052  -0.843  1.00  0.00           C  
HETATM   24  C   UNL     1       3.602   0.410  -0.196  1.00  0.00           C  
HETATM   25  N   UNL     1       4.509  -0.568   0.411  1.00  0.00           N  
HETATM   26  C   UNL     1       5.074  -1.659  -0.206  1.00  0.00           C  
HETATM   27  C   UNL     1       5.005  -2.186  -1.491  1.00  0.00           C  
HETATM   28  C   UNL     1       5.706  -3.318  -1.799  1.00  0.00           C  
HETATM   29  C   UNL     1       6.488  -3.949  -0.839  1.00  0.00           C  
HETATM   30  C   UNL     1       6.572  -3.452   0.428  1.00  0.00           C  
HETATM   31  C   UNL     1       5.863  -2.292   0.770  1.00  0.00           C  
HETATM   32  N   UNL     1       5.752  -1.582   1.910  1.00  0.00           N  
HETATM   33  N   UNL     1       4.976  -0.571   1.733  1.00  0.00           N  
HETATM   34  H   UNL     1       2.424   1.600  -1.971  1.00  0.00           H  
HETATM   35  H   UNL     1       0.682   1.855  -2.229  1.00  0.00           H  
HETATM   36  H   UNL     1       3.652   3.079  -0.332  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.110   5.587   0.682  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.581   3.510  -0.698  1.00  0.00           H  
HETATM   39  H   UNL     1       0.368  -1.436   0.834  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.967  -2.067   1.284  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.355  -1.188   1.279  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.403  -0.308  -2.068  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.660  -0.922  -1.057  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.546  -1.742   1.333  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.314   1.291  -0.996  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.979   1.925  -1.440  1.00  0.00           H  
HETATM   47  H   UNL     1       3.824   0.501  -1.259  1.00  0.00           H  
HETATM   48  H   UNL     1       3.734   1.377   0.287  1.00  0.00           H  
HETATM   49  H   UNL     1       4.399  -1.703  -2.243  1.00  0.00           H  
HETATM   50  H   UNL     1       5.651  -3.727  -2.797  1.00  0.00           H  
HETATM   51  H   UNL     1       7.035  -4.843  -1.100  1.00  0.00           H  
HETATM   52  H   UNL     1       7.183  -3.951   1.166  1.00  0.00           H  
CONECT    1   23   23   11    4                                       
CONECT    2    3    3                                                 
CONECT    3   24    4    2    2                                       
CONECT    4    1    3    5                                            
CONECT    5    6    4   34   35                                       
CONECT    6   10    7    7    5                                       
CONECT    7    8    6    6   36                                       
CONECT    8    9    7                                                 
CONECT    9    8   10   10   37                                       
CONECT   10    9    9    6   38                                       
CONECT   11   12   12    1   39                                       
CONECT   12   13   11   11   40                                       
CONECT   13   14   22   22   12                                       
CONECT   14   15   13   41                                            
CONECT   15   16   14   21   21                                       
CONECT   16   17   17   20   15                                       
CONECT   17   18   16   16   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   16                                                 
CONECT   21   15   15                                                 
CONECT   22   13   13   23   45                                       
CONECT   23   22    1    1   46                                       
CONECT   24   25    3   47   48                                       
CONECT   25   24   33   26                                            
CONECT   26   25   31   31   27                                       
CONECT   27   26   28   28   49                                       
CONECT   28   27   27   29   50                                       
CONECT   29   30   30   28   51                                       
CONECT   30   31   29   29   52                                       
CONECT   31   32   26   26   30                                       
CONECT   32   33   33   31                                            
CONECT   33   25   32   32                                            
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
