COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.840  12.782  82.586  1.00  0.00           O  
HETATM    2  S   UNL     1       3.156  13.291  83.837  1.00  0.00           S  
HETATM    3  O   UNL     1       3.813  12.748  85.081  1.00  0.00           O  
HETATM    4  N   UNL     1       3.037  14.850  83.767  1.00  0.00           N  
HETATM    5  C   UNL     1       1.493  12.598  83.816  1.00  0.00           C  
HETATM    6  C   UNL     1       1.605  11.100  83.873  1.00  0.00           C  
HETATM    7  C   UNL     1       0.214  10.552  83.685  1.00  0.00           C  
HETATM    8  C   UNL     1       0.140   9.062  83.710  1.00  0.00           C  
HETATM    9  B   UNL     1       1.459   7.955  84.166  1.00  0.00           B  
HETATM   10  B   UNL     1       0.873   8.034  82.466  1.00  0.00           B  
HETATM   11  B   UNL     1       0.720   6.558  84.933  1.00  0.00           B  
HETATM   12  B   UNL     1       1.224   6.476  83.221  1.00  0.00           B  
HETATM   13  B   UNL     1       0.043   8.157  85.232  1.00  0.00           B  
HETATM   14  B   UNL     1      -0.976   6.839  84.871  1.00  0.00           B  
HETATM   15  B   UNL     1      -1.401   8.348  84.213  1.00  0.00           B  
HETATM   16  B   UNL     1      -0.903   8.276  82.509  1.00  0.00           B  
HETATM   17  B   UNL     1      -1.632   6.874  83.275  1.00  0.00           B  
HETATM   18  B   UNL     1      -0.226   6.667  82.201  1.00  0.00           B  
HETATM   19  C   UNL     1      -0.289   5.870  83.717  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.362   4.375  83.537  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.114   3.522  84.505  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.549   3.449  85.889  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.540   2.337  86.885  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.115   2.539  88.245  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.953   2.676  86.617  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.224   0.879  86.391  1.00  0.00           N  
HETATM   27  H   UNL     1       2.585  15.188  84.593  1.00  0.00           H  
HETATM   28  H   UNL     1       3.951  15.251  83.699  1.00  0.00           H  
HETATM   29  H   UNL     1       0.927  12.962  84.686  1.00  0.00           H  
HETATM   30  H   UNL     1       0.977  12.898  82.892  1.00  0.00           H  
HETATM   31  H   UNL     1       2.266  10.739  83.071  1.00  0.00           H  
HETATM   32  H   UNL     1       2.007  10.787  84.848  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.424  10.943  84.491  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.167  10.901  82.714  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.813   4.200  82.549  1.00  0.00           H  
HETATM   36  H   UNL     1       0.675   4.009  83.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.137   3.919  84.579  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.145   2.500  84.100  1.00  0.00           H  
HETATM   39  H   UNL     1       0.485   3.076  85.843  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.558   4.452  86.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.759   0.223  86.923  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.462   0.796  85.423  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   27   28                                            
CONECT    5    2    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7   15   13   16                                       
CONECT    8    9   10                                                 
CONECT    9   11   12   13   10                                       
CONECT    9    8                                                      
CONECT   10   12   16   18    9                                       
CONECT   10    8                                                      
CONECT   11    9   12   13   14                                       
CONECT   11   19                                                      
CONECT   12    9   10   11   18                                       
CONECT   12   19                                                      
CONECT   13    9   11   14   15                                       
CONECT   13    8                                                      
CONECT   14   11   13   15   17                                       
CONECT   14   19                                                      
CONECT   15   13   14   16   17                                       
CONECT   15    8                                                      
CONECT   16   10   15   17   18                                       
CONECT   16    8                                                      
CONECT   17   14   15   16   18                                       
CONECT   17   19                                                      
CONECT   18   10   12   16   17                                       
CONECT   18   19                                                      
CONECT   19   11   12   14   17                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   35   36                                       
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   41   42                                            
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
