COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.244   0.333   0.138  1.00  0.00           C  
HETATM    2  C   UNL     1       2.610  -0.933   0.915  1.00  0.00           C  
HETATM    3  C   UNL     1       3.803  -1.590   0.271  1.00  0.00           C  
HETATM    4  N   UNL     1       3.333   1.312   0.254  1.00  0.00           N  
HETATM    5  C   UNL     1       5.081  -1.251   0.676  1.00  0.00           C  
HETATM    6  C   UNL     1       6.176  -1.854   0.085  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.526  -2.834  -0.250  1.00  0.00           N  
HETATM    8  C   UNL     1       5.993  -2.796  -0.910  1.00  0.00           C  
HETATM    9  C   UNL     1       4.715  -3.135  -1.314  1.00  0.00           C  
HETATM   10  C   UNL     1       3.620  -2.536  -0.719  1.00  0.00           C  
HETATM   11  C   UNL     1       0.958   0.934   0.715  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.616   1.553  -0.328  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.494   1.314  -1.387  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.544   0.434  -1.223  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.650   3.525  -1.128  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.492   2.499  -0.495  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.806   0.898   0.890  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.860   0.021   1.040  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.727  -0.211  -0.013  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.071  -1.333   0.188  1.00  0.00           S  
HETATM   21  O   UNL     1      -6.049  -0.964  -0.774  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.337  -1.394   1.583  1.00  0.00           O  
HETATM   23  N   UNL     1       0.708   2.224   0.055  1.00  0.00           N  
HETATM   24  C   UNL     1       1.801   3.207   0.011  1.00  0.00           C  
HETATM   25  C   UNL     1       3.054   2.517  -0.539  1.00  0.00           C  
HETATM   26  C   UNL     1       3.585   1.654   1.660  1.00  0.00           C  
HETATM   27  H   UNL     1       2.090   0.084  -0.912  1.00  0.00           H  
HETATM   28  H   UNL     1       2.852  -0.669   1.945  1.00  0.00           H  
HETATM   29  H   UNL     1       1.766  -1.622   0.905  1.00  0.00           H  
HETATM   30  H   UNL     1       5.224  -0.514   1.453  1.00  0.00           H  
HETATM   31  H   UNL     1       7.174  -1.589   0.401  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.902  -3.626   0.164  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.831  -2.921  -0.921  1.00  0.00           H  
HETATM   34  H   UNL     1       6.848  -3.267  -1.371  1.00  0.00           H  
HETATM   35  H   UNL     1       4.572  -3.871  -2.091  1.00  0.00           H  
HETATM   36  H   UNL     1       2.622  -2.801  -1.035  1.00  0.00           H  
HETATM   37  H   UNL     1       0.123   0.259   0.528  1.00  0.00           H  
HETATM   38  H   UNL     1       1.074   1.085   1.788  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.352   1.818  -2.332  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.224   0.249  -2.041  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.130   1.078   1.712  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.008  -0.486   1.982  1.00  0.00           H  
HETATM   43  H   UNL     1       1.523   4.035  -0.642  1.00  0.00           H  
HETATM   44  H   UNL     1       1.997   3.582   1.015  1.00  0.00           H  
HETATM   45  H   UNL     1       3.902   3.199  -0.475  1.00  0.00           H  
HETATM   46  H   UNL     1       2.889   2.237  -1.579  1.00  0.00           H  
HETATM   47  H   UNL     1       3.864   0.755   2.209  1.00  0.00           H  
HETATM   48  H   UNL     1       4.396   2.381   1.718  1.00  0.00           H  
HETATM   49  H   UNL     1       2.683   2.082   2.098  1.00  0.00           H  
CONECT    1    4   11    2   27                                       
CONECT    2    1    3   28   29                                       
CONECT    3   10    2    5    5                                       
CONECT    4   25   26    1                                            
CONECT    5    3    3    6   30                                       
CONECT    6    8    8    5   31                                       
CONECT    7   20   32   33                                            
CONECT    8    9    6    6   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10    9    9    3   36                                       
CONECT   11   23    1   37   38                                       
CONECT   12   16   13   13   17                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   19   19   40                                       
CONECT   15   16   16                                                 
CONECT   16   23   15   15   12                                       
CONECT   17   12   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   14   14   20                                       
CONECT   20   19    7   21   21                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   24   11   16                                            
CONECT   24   25   23   43   44                                       
CONECT   25   24    4   45   46                                       
CONECT   26    4   47   48   49                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
