COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.579  -0.722   0.723  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.189  -1.881   0.281  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.217  -2.175  -1.069  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.636  -1.310  -1.977  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.027  -0.151  -1.535  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.997   0.142  -0.185  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.333   1.406   0.298  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.919   1.139   0.576  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.983   1.299  -0.420  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.368   1.709  -1.676  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.543   0.744   1.807  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.384   0.613   2.676  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.253   0.491   2.090  1.00  0.00           N  
HETATM   14  C   UNL     1       0.697   0.629   1.145  1.00  0.00           C  
HETATM   15  O   UNL     1       1.865   0.398   1.410  1.00  0.00           O  
HETATM   16  C   UNL     1       0.334   1.046  -0.149  1.00  0.00           C  
HETATM   17  N   UNL     1       1.316   1.203  -1.154  1.00  0.00           N  
HETATM   18  S   UNL     1       2.921   1.042  -0.777  1.00  0.00           S  
HETATM   19  O   UNL     1       3.638   1.225  -1.990  1.00  0.00           O  
HETATM   20  O   UNL     1       3.141   1.832   0.383  1.00  0.00           O  
HETATM   21  C   UNL     1       3.177  -0.633  -0.295  1.00  0.00           C  
HETATM   22  C   UNL     1       2.891  -1.658  -1.177  1.00  0.00           C  
HETATM   23  C   UNL     1       3.092  -2.973  -0.799  1.00  0.00           C  
HETATM   24  C   UNL     1       3.580  -3.262   0.462  1.00  0.00           C  
HETATM   25  C   UNL     1       3.868  -2.237   1.344  1.00  0.00           C  
HETATM   26  C   UNL     1       3.671  -0.923   0.964  1.00  0.00           C  
HETATM   27  H   UNL     1      -4.561  -0.490   1.778  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.643  -2.557   0.990  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.693  -3.081  -1.415  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.657  -1.540  -3.033  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.572   0.525  -2.245  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.412   2.175  -0.471  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.824   1.750   1.208  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.308   1.842  -1.876  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.700   1.864  -2.361  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.004   0.207   2.984  1.00  0.00           H  
HETATM   37  H   UNL     1       1.050   1.405  -2.065  1.00  0.00           H  
HETATM   38  H   UNL     1       2.509  -1.432  -2.162  1.00  0.00           H  
HETATM   39  H   UNL     1       3.899  -0.122   1.651  1.00  0.00           H  
HETATM   40  H   UNL     1       2.867  -3.773  -1.488  1.00  0.00           H  
HETATM   41  H   UNL     1       3.737  -4.289   0.758  1.00  0.00           H  
HETATM   42  H   UNL     1       4.249  -2.463   2.329  1.00  0.00           H  
CONECT    1    2    6    6   27                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7    9   11                                            
CONECT    9    8   10   16   16                                       
CONECT   10    9   34   35                                            
CONECT   11    8   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   36                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16    9    9   14   17                                       
CONECT   17   16   18   37                                            
CONECT   18   17   20   20   19                                       
CONECT   18   19   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   26   26                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   42                                       
CONECT   26   21   21   25   39                                       
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
