COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.825  -2.017   0.645  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.133  -1.085   0.283  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.863  -1.176  -0.101  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.170   0.026  -0.505  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.075   1.261  -0.414  1.00  0.00           C  
HETATM    6  S   UNL     1      -5.663   0.598   0.180  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.954   0.230   0.402  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.410   0.358   1.756  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.028  -0.980   0.310  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.425  -1.123  -1.083  1.00  0.00           C  
HETATM   11  O   UNL     1       0.728  -1.997  -1.070  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.017   0.250  -1.629  1.00  0.00           C  
HETATM   13  C   UNL     1       0.043   1.245  -0.470  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.279   1.432   0.035  1.00  0.00           O  
HETATM   15  C   UNL     1       0.630   2.577  -0.937  1.00  0.00           C  
HETATM   16  C   UNL     1       1.699   3.044   0.039  1.00  0.00           C  
HETATM   17  C   UNL     1       3.118   2.623  -0.342  1.00  0.00           C  
HETATM   18  C   UNL     1       3.126   1.457  -1.309  1.00  0.00           C  
HETATM   19  C   UNL     1       3.890   2.359   0.914  1.00  0.00           C  
HETATM   20  C   UNL     1       4.644   1.394   1.288  1.00  0.00           C  
HETATM   21  C   UNL     1       5.058   0.130   0.607  1.00  0.00           C  
HETATM   22  C   UNL     1       4.283  -1.056   1.189  1.00  0.00           C  
HETATM   23  C   UNL     1       4.166  -2.157   0.175  1.00  0.00           C  
HETATM   24  C   UNL     1       5.385  -3.014  -0.110  1.00  0.00           C  
HETATM   25  C   UNL     1       3.049  -2.426  -0.486  1.00  0.00           C  
HETATM   26  C   UNL     1       1.797  -1.682  -0.314  1.00  0.00           C  
HETATM   27  O   UNL     1       1.715  -0.802   0.513  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.410  -2.034  -0.109  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.830  -0.088  -1.534  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.669   1.982   0.296  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.199   1.718  -1.395  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.700   0.491   2.399  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.241  -0.890   1.058  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.607  -1.883   0.539  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.175  -1.556  -1.756  1.00  0.00           H  
HETATM   36  H   UNL     1       0.947   0.174  -2.122  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.763   0.585  -2.354  1.00  0.00           H  
HETATM   38  H   UNL     1       0.667   0.849   0.334  1.00  0.00           H  
HETATM   39  H   UNL     1       0.983   2.516  -1.956  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.188   3.321  -0.929  1.00  0.00           H  
HETATM   41  H   UNL     1       1.667   4.139   0.107  1.00  0.00           H  
HETATM   42  H   UNL     1       1.472   2.648   1.037  1.00  0.00           H  
HETATM   43  H   UNL     1       3.589   3.488  -0.848  1.00  0.00           H  
HETATM   44  H   UNL     1       2.599   1.738  -2.221  1.00  0.00           H  
HETATM   45  H   UNL     1       4.155   1.192  -1.551  1.00  0.00           H  
HETATM   46  H   UNL     1       2.629   0.601  -0.851  1.00  0.00           H  
HETATM   47  H   UNL     1       3.787   3.166   1.681  1.00  0.00           H  
HETATM   48  H   UNL     1       5.069   1.522   2.312  1.00  0.00           H  
HETATM   49  H   UNL     1       4.983   0.155  -0.465  1.00  0.00           H  
HETATM   50  H   UNL     1       6.129  -0.041   0.838  1.00  0.00           H  
HETATM   51  H   UNL     1       4.849  -1.439   2.052  1.00  0.00           H  
HETATM   52  H   UNL     1       3.316  -0.731   1.548  1.00  0.00           H  
HETATM   53  H   UNL     1       5.391  -3.871   0.563  1.00  0.00           H  
HETATM   54  H   UNL     1       5.351  -3.362  -1.142  1.00  0.00           H  
HETATM   55  H   UNL     1       6.288  -2.424   0.045  1.00  0.00           H  
HETATM   56  H   UNL     1       3.066  -3.251  -1.201  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   28                                            
CONECT    4    3    7    5   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    2    5                                                 
CONECT    7    4   14    9    8                                       
CONECT    8    7   32                                                 
CONECT    9    7   10   33   34                                       
CONECT   10    9   12   11   35                                       
CONECT   11   10   26                                                 
CONECT   12   10   13   36   37                                       
CONECT   13   12   15   14   38                                       
CONECT   14    7   13                                                 
CONECT   15   13   16   39   40                                       
CONECT   16   15   17   41   42                                       
CONECT   17   16   19   18   43                                       
CONECT   18   17   44   45   46                                       
CONECT   19   17   20   20   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   23   51   52                                       
CONECT   23   22   25   25   24                                       
CONECT   24   23   53   54   55                                       
CONECT   25   23   23   26   56                                       
CONECT   26   11   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
