COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.774  -2.548  -0.639  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.732  -2.014  -0.342  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.979  -2.516   0.649  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.274  -0.788  -1.090  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.288  -0.438  -2.149  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.839   0.637  -2.125  1.00  0.00           O  
HETATM    7  O   UNL     1      -8.577  -1.319  -3.118  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.132   0.381  -0.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.032   0.081   0.873  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.734   0.458   0.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.326  -0.566   2.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.320  -0.843   2.967  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.018  -0.473   2.691  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.720   0.181   1.502  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.404   0.556   1.219  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.156   1.712   0.573  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.070   2.472   0.314  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.780   2.056   0.181  1.00  0.00           C  
HETATM   19  S   UNL     1       0.638   1.062   0.485  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.411   3.194  -0.481  1.00  0.00           C  
HETATM   21  C   UNL     1       0.927   3.298  -0.740  1.00  0.00           C  
HETATM   22  C   UNL     1       1.679   2.244  -0.296  1.00  0.00           C  
HETATM   23  C   UNL     1       3.135   2.117  -0.453  1.00  0.00           C  
HETATM   24  O   UNL     1       3.747   2.930  -1.120  1.00  0.00           O  
HETATM   25  C   UNL     1       3.854   1.003   0.199  1.00  0.00           C  
HETATM   26  C   UNL     1       5.035   0.508  -0.359  1.00  0.00           C  
HETATM   27  C   UNL     1       5.701  -0.532   0.255  1.00  0.00           C  
HETATM   28  I   UNL     1       7.473  -1.276  -0.579  1.00  0.00           I  
HETATM   29  C   UNL     1       5.202  -1.085   1.421  1.00  0.00           C  
HETATM   30  C   UNL     1       4.032  -0.600   1.980  1.00  0.00           C  
HETATM   31  C   UNL     1       3.359   0.444   1.379  1.00  0.00           C  
HETATM   32  H   UNL     1      -7.312  -3.306   1.097  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.312  -0.988  -1.560  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.234  -1.049  -3.775  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.887   1.288  -0.666  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.071   0.524   0.422  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.506   0.967  -0.332  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.343  -0.855   2.278  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.552  -1.348   3.892  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.233  -0.689   3.400  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.668  -0.017   1.488  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.122   3.952  -0.776  1.00  0.00           H  
HETATM   43  H   UNL     1       1.357   4.144  -1.255  1.00  0.00           H  
HETATM   44  H   UNL     1       5.425   0.939  -1.270  1.00  0.00           H  
HETATM   45  H   UNL     1       5.727  -1.900   1.898  1.00  0.00           H  
HETATM   46  H   UNL     1       3.648  -1.036   2.890  1.00  0.00           H  
HETATM   47  H   UNL     1       2.449   0.824   1.818  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   32                                                 
CONECT    4    8    5    2   33                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   34                                                 
CONECT    8    9    4   35   36                                       
CONECT    9   11    8   10   10                                       
CONECT   10    9    9   14   37                                       
CONECT   11   12   12    9   38                                       
CONECT   12   11   11   13   39                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   10   15                                       
CONECT   15   14   16   41                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   20   19                                       
CONECT   19   18   22                                                 
CONECT   20   18   18   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   19   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   31                                       
CONECT   26   25   25   27   44                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27                                                      
CONECT   29   27   27   30   45                                       
CONECT   30   31   31   29   46                                       
CONECT   31   25   30   30   47                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
