COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.244   1.037  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.959   1.098   0.212  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.612   1.296   0.300  1.00  0.00           C  
HETATM    4  C   UNL     1       0.498   2.123   0.158  1.00  0.00           C  
HETATM    5  C   UNL     1       1.762   1.579   0.079  1.00  0.00           C  
HETATM    6  C   UNL     1       1.948   0.206   0.138  1.00  0.00           C  
HETATM    7  C   UNL     1       3.339  -0.369   0.052  1.00  0.00           C  
HETATM    8  C   UNL     1       3.958   0.013  -1.289  1.00  0.00           C  
HETATM    9  C   UNL     1       5.258  -0.766  -1.504  1.00  0.00           C  
HETATM   10  C   UNL     1       5.504  -0.587   1.289  1.00  0.00           C  
HETATM   11  C   UNL     1       4.178   0.172   1.206  1.00  0.00           C  
HETATM   12  C   UNL     1       0.864  -0.633   0.276  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.418  -0.093   0.353  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.607  -0.964   0.484  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.911  -0.309   0.259  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.072  -1.059   0.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.269  -0.372  -0.133  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.531  -1.106  -0.318  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.416   1.728  -0.396  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.117   1.709  -0.007  1.00  0.00           N  
HETATM   21  O   UNL     1      -1.845   1.832   0.390  1.00  0.00           O  
HETATM   22  O   UNL     1       6.700   1.114  -0.338  1.00  0.00           O  
HETATM   23  O   UNL     1       7.552  -1.186  -0.266  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.516  -2.146   0.761  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.563  -2.443  -0.155  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.545  -0.505  -0.617  1.00  0.00           O  
HETATM   27  S   UNL     1       6.457  -0.282  -0.228  1.00  0.00           S  
HETATM   28  H   UNL     1       0.368   3.195   0.110  1.00  0.00           H  
HETATM   29  H   UNL     1       2.617   2.230  -0.031  1.00  0.00           H  
HETATM   30  H   UNL     1       3.283  -1.455   0.126  1.00  0.00           H  
HETATM   31  H   UNL     1       3.259  -0.223  -2.091  1.00  0.00           H  
HETATM   32  H   UNL     1       5.059  -1.835  -1.431  1.00  0.00           H  
HETATM   33  H   UNL     1       6.071  -0.239   2.152  1.00  0.00           H  
HETATM   34  H   UNL     1       5.309  -1.655   1.388  1.00  0.00           H  
HETATM   35  H   UNL     1       4.378   1.231   1.043  1.00  0.00           H  
HETATM   36  H   UNL     1       3.631   0.048   2.141  1.00  0.00           H  
HETATM   37  H   UNL     1       1.007  -1.703   0.323  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.049  -2.138   0.128  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.232   1.245  -0.599  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.424   2.697  -0.347  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.416  -2.881  -0.287  1.00  0.00           H  
HETATM   42  H   UNL     1       4.171   1.082  -1.298  1.00  0.00           H  
HETATM   43  H   UNL     1       5.662  -0.536  -2.490  1.00  0.00           H  
CONECT    1   19   17   17   20                                       
CONECT    2   20   20   15   21                                       
CONECT    3   21   13   13    4                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5   12   12    7                                       
CONECT    7    6   11    8   30                                       
CONECT    8    7    9   31   42                                       
CONECT    9    8   27   32   43                                       
CONECT   10   11   27   33   34                                       
CONECT   11    7   10   35   36                                       
CONECT   12   13    6    6   37                                       
CONECT   13   14    3    3   12                                       
CONECT   14   15   24   24   13                                       
CONECT   15   16   16    2   14                                       
CONECT   16   17   15   15   38                                       
CONECT   17   18    1    1   16                                       
CONECT   18   26   26   25   17                                       
CONECT   19    1   39   40                                            
CONECT   20    1    2    2                                            
CONECT   21    2    3                                                 
CONECT   22   27   27                                                 
CONECT   23   27   27                                                 
CONECT   24   14   14                                                 
CONECT   25   18   41                                                 
CONECT   26   18   18                                                 
CONECT   27   10    9   23   23                                       
CONECT   27   22   22                                                 
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   25                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
