COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.187  -0.148   2.226  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.339  -0.154   1.595  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.133  -0.377   0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       0.230  -0.527   0.094  1.00  0.00           C  
HETATM    5  N   UNL     1       0.815  -0.380   1.329  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.176  -0.454  -0.760  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.129  -1.441  -1.751  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.122  -1.477  -2.707  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.105  -0.597  -2.696  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.187   0.349  -1.780  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.240   0.454  -0.784  1.00  0.00           C  
HETATM   12  C   UNL     1       0.918  -0.794  -1.184  1.00  0.00           C  
HETATM   13  C   UNL     1       0.595  -0.052  -2.322  1.00  0.00           C  
HETATM   14  C   UNL     1       1.246  -0.304  -3.513  1.00  0.00           C  
HETATM   15  I   UNL     1       0.768   0.810  -5.221  1.00  0.00           I  
HETATM   16  C   UNL     1       2.210  -1.295  -3.582  1.00  0.00           C  
HETATM   17  C   UNL     1       2.531  -2.036  -2.459  1.00  0.00           C  
HETATM   18  C   UNL     1       1.892  -1.792  -1.261  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.006   0.069   3.677  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.772   1.027   4.343  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.599   1.225   5.697  1.00  0.00           C  
HETATM   22  C   UNL     1       0.331   0.476   6.395  1.00  0.00           C  
HETATM   23  C   UNL     1       1.097  -0.470   5.740  1.00  0.00           C  
HETATM   24  C   UNL     1       0.930  -0.682   4.387  1.00  0.00           C  
HETATM   25  S   UNL     1       0.546   0.735   8.124  1.00  0.00           S  
HETATM   26  O   UNL     1       1.858   0.214   8.291  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.661  -0.451   8.774  1.00  0.00           C  
HETATM   28  H   UNL     1       1.763  -0.431   1.526  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.327  -2.164  -1.766  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.094  -2.235  -3.476  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.009   1.049  -1.810  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.314   1.231  -0.037  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.156   0.720  -2.269  1.00  0.00           H  
HETATM   34  H   UNL     1       2.714  -1.490  -4.517  1.00  0.00           H  
HETATM   35  H   UNL     1       3.285  -2.808  -2.520  1.00  0.00           H  
HETATM   36  H   UNL     1       2.145  -2.372  -0.385  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.500   1.612   3.799  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.191   1.966   6.213  1.00  0.00           H  
HETATM   39  H   UNL     1       1.823  -1.051   6.290  1.00  0.00           H  
HETATM   40  H   UNL     1       1.526  -1.425   3.877  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.655  -0.416   9.863  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.655  -0.194   8.408  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.400  -1.455   8.440  1.00  0.00           H  
CONECT    1    2    2    5   19                                       
CONECT    2    1    1    3                                            
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   12                                       
CONECT    5    1    4   28                                            
CONECT    6    3    7    7   11                                       
CONECT    7    6    6    8   29                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   31                                       
CONECT   11    6   10   10   32                                       
CONECT   12    4   13   13   18                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16   14   14   17   34                                       
CONECT   17   16   18   18   35                                       
CONECT   18   12   17   17   36                                       
CONECT   19    1   20   20   24                                       
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22   21   21   23   25                                       
CONECT   23   22   24   24   39                                       
CONECT   24   19   23   23   40                                       
CONECT   25   22   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   41   42   43                                       
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
