COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.301  -0.701   2.682  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.088  -1.358   2.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.898  -0.645   2.650  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.608  -1.423   2.716  1.00  0.00           C  
HETATM    5  C   UNL     1       0.531   0.797   2.981  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.679   1.565   2.452  1.00  0.00           C  
HETATM    7  C   UNL     1       1.183  -0.714  -0.289  1.00  0.00           C  
HETATM    8  C   UNL     1       0.341  -0.199  -2.876  1.00  0.00           C  
HETATM    9  C   UNL     1       1.053   0.766  -2.167  1.00  0.00           C  
HETATM   10  C   UNL     1       1.471   0.503  -0.878  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.111   0.077  -4.262  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.018   1.589  -5.890  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.047  -0.922  -5.230  1.00  0.00           C  
HETATM   14  O   UNL     1       2.812  -0.164   1.588  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.926   0.726   2.543  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.150   1.386   2.514  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.331   0.677   2.584  1.00  0.00           C  
HETATM   18  N   UNL     1       0.516  -0.545   2.378  1.00  0.00           N  
HETATM   19  S   UNL     1       1.720  -1.043   1.355  1.00  0.00           S  
HETATM   20  C   UNL     1       0.481  -1.678  -0.990  1.00  0.00           C  
HETATM   21  C   UNL     1       0.054  -1.424  -2.278  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.605   1.336  -4.598  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.954   0.593  -6.848  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.469  -0.659  -6.518  1.00  0.00           C  
HETATM   25  O   UNL     1       1.765  -2.458   1.472  1.00  0.00           O  
HETATM   26  C   UNL     1       1.798   1.516   2.596  1.00  0.00           C  
HETATM   27  O   UNL     1       1.923   1.965   1.481  1.00  0.00           O  
HETATM   28  O   UNL     1       2.789   1.657   3.491  1.00  0.00           O  
HETATM   29  H   UNL     1      -5.222  -1.261   2.734  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.064  -2.435   2.790  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.471  -1.814   3.724  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.647  -2.252   2.009  1.00  0.00           H  
HETATM   33  H   UNL     1       0.470   0.714   4.066  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.813   2.472   3.041  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.504   1.836   1.411  1.00  0.00           H  
HETATM   36  H   UNL     1       1.278   1.717  -2.625  1.00  0.00           H  
HETATM   37  H   UNL     1       2.023   1.251  -0.327  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.397   2.566  -6.153  1.00  0.00           H  
HETATM   39  H   UNL     1       0.331  -1.900  -4.974  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.175   2.463   2.437  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.276   1.198   2.563  1.00  0.00           H  
HETATM   42  H   UNL     1       0.259  -2.627  -0.526  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.498  -2.176  -2.823  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.657   2.114  -3.851  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.282   0.795  -7.856  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.421  -1.433  -7.270  1.00  0.00           H  
HETATM   47  H   UNL     1       3.602   2.118   3.243  1.00  0.00           H  
CONECT    1    2    2   17   29                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4   15   15                                       
CONECT    4    3   18   31   32                                       
CONECT    5    6   18   26   33                                       
CONECT    6    5   15   34   35                                       
CONECT    7   10   10   19   20                                       
CONECT    8    9    9   11   21                                       
CONECT    9    8    8   10   36                                       
CONECT   10    7    7    9   37                                       
CONECT   11    8   13   13   22                                       
CONECT   12   22   22   23   38                                       
CONECT   13   11   11   24   39                                       
CONECT   14   19   19                                                 
CONECT   15    3    3    6   16                                       
CONECT   16   15   17   17   40                                       
CONECT   17    1   16   16   41                                       
CONECT   18    4    5   19                                            
CONECT   19    7   14   14   18                                       
CONECT   19   25   25                                                 
CONECT   20    7   21   21   42                                       
CONECT   21    8   20   20   43                                       
CONECT   22   11   12   12   44                                       
CONECT   23   12   24   24   45                                       
CONECT   24   13   23   23   46                                       
CONECT   25   19   19                                                 
CONECT   26    5   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   47                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
