COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.356   0.403   0.288  1.00  0.00           C  
HETATM    2  C   UNL     1       2.194   0.370   1.395  1.00  0.00           C  
HETATM    3  C   UNL     1       3.497  -0.068   1.261  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.229   2.259   0.721  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.362   3.046  -0.584  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.635  -2.964  -0.252  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.444  -1.774  -0.084  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.492  -0.928  -0.002  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.797  -1.497  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.849  -0.392  -0.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.121  -1.277   0.025  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.661   0.406   0.270  1.00  0.00           S  
HETATM   13  C   UNL     1      -1.973  -2.020  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.971  -3.513  -0.236  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.878  -1.318   0.101  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.009  -0.032   0.263  1.00  0.00           C  
HETATM   17  N   UNL     1       0.039   0.851   0.419  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.638   4.494  -0.273  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.719   4.860   0.876  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.793   5.378  -1.271  1.00  0.00           O  
HETATM   21  C   UNL     1       1.833  -0.005  -0.952  1.00  0.00           C  
HETATM   22  C   UNL     1       3.136  -0.442  -1.079  1.00  0.00           C  
HETATM   23  C   UNL     1       3.968  -0.473   0.026  1.00  0.00           C  
HETATM   24  S   UNL     1       5.631  -1.030  -0.141  1.00  0.00           S  
HETATM   25  O   UNL     1       5.982  -0.843  -1.505  1.00  0.00           O  
HETATM   26  O   UNL     1       6.358  -0.453   0.935  1.00  0.00           O  
HETATM   27  N   UNL     1       5.629  -2.666   0.120  1.00  0.00           N  
HETATM   28  H   UNL     1       1.827   0.687   2.360  1.00  0.00           H  
HETATM   29  H   UNL     1       4.148  -0.094   2.122  1.00  0.00           H  
HETATM   30  H   UNL     1       0.593   2.668   1.309  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.156   2.339   1.289  1.00  0.00           H  
HETATM   32  H   UNL     1       0.565   2.966  -1.152  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.184   2.637  -1.172  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.892  -1.988  -1.089  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.948  -2.228   0.673  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.844  -0.827  -0.094  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.753   0.099   0.965  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.698   0.339  -0.798  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.934  -3.735  -1.303  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.100  -3.945   0.256  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.879  -3.939   0.192  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.968   6.295  -1.022  1.00  0.00           H  
HETATM   43  H   UNL     1       1.184   0.019  -1.815  1.00  0.00           H  
HETATM   44  H   UNL     1       3.507  -0.759  -2.042  1.00  0.00           H  
HETATM   45  H   UNL     1       6.284  -3.228  -0.321  1.00  0.00           H  
HETATM   46  H   UNL     1       4.972  -3.061   0.715  1.00  0.00           H  
CONECT    1   17    2    2   21                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2   23   23   29                                       
CONECT    4    5   17   30   31                                       
CONECT    5   18    4   32   33                                       
CONECT    6    7    7                                                 
CONECT    7   11    8    6    6                                       
CONECT    8    7    9                                                 
CONECT    9   10    8   34   35                                       
CONECT   10    9   36   37   38                                       
CONECT   11   13   13   12    7                                       
CONECT   12   16   11                                                 
CONECT   13   14   15   11   11                                       
CONECT   14   13   39   40   41                                       
CONECT   15   13   16   16                                            
CONECT   16   15   15   17   12                                       
CONECT   17    4   16    1                                            
CONECT   18   19   19    5   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   42                                                 
CONECT   21    1   22   22   43                                       
CONECT   22   21   21   23   44                                       
CONECT   23    3    3   22   24                                       
CONECT   24   23   27   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   45   46                                            
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
