COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.218  -0.431   1.164  1.00  0.00           C  
HETATM    2  C   UNL     1       0.482  -3.360  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1       2.645  -2.127  -0.039  1.00  0.00           C  
HETATM    4  C   UNL     1       3.988  -1.530  -0.052  1.00  0.00           C  
HETATM    5  C   UNL     1       3.529   3.848  -1.252  1.00  0.00           C  
HETATM    6  C   UNL     1       1.547   3.897   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.979   0.414  -1.368  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.009   0.888  -0.284  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.737   0.205  -0.441  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.765   0.512   0.441  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.975   1.327   1.317  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.447  -0.142   0.342  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.205  -1.081  -0.667  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.987  -1.693  -0.751  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.979  -1.372   0.160  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.438   0.175   1.257  1.00  0.00           C  
HETATM   17  C   UNL     1       0.345  -2.028   0.061  1.00  0.00           C  
HETATM   18  S   UNL     1       2.125  -3.803  -0.134  1.00  0.00           S  
HETATM   19  C   UNL     1       1.548  -1.302   0.062  1.00  0.00           C  
HETATM   20  O   UNL     1       1.736   0.043   0.148  1.00  0.00           O  
HETATM   21  C   UNL     1       2.946   0.609   0.139  1.00  0.00           C  
HETATM   22  C   UNL     1       4.087  -0.126   0.042  1.00  0.00           C  
HETATM   23  O   UNL     1       4.988  -2.227  -0.140  1.00  0.00           O  
HETATM   24  N   UNL     1       3.041   1.976   0.230  1.00  0.00           N  
HETATM   25  C   UNL     1       4.136   2.705  -0.431  1.00  0.00           C  
HETATM   26  O   UNL     1       2.666   4.622  -0.416  1.00  0.00           O  
HETATM   27  C   UNL     1       2.052   2.756   0.991  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.438  -0.186   1.871  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.340  -4.059  -0.048  1.00  0.00           H  
HETATM   30  H   UNL     1       4.327   4.483  -1.638  1.00  0.00           H  
HETATM   31  H   UNL     1       2.957   3.436  -2.084  1.00  0.00           H  
HETATM   32  H   UNL     1       0.919   4.566   0.688  1.00  0.00           H  
HETATM   33  H   UNL     1       0.967   3.485  -0.725  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.934   0.926  -1.250  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.565   0.640  -2.350  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.130  -0.661  -1.275  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.858   1.963  -0.376  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.423   0.662   0.699  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.984  -1.327  -1.373  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.800  -2.417  -1.530  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.624   0.899   2.036  1.00  0.00           H  
HETATM   42  H   UNL     1       5.052   0.357   0.036  1.00  0.00           H  
HETATM   43  H   UNL     1       4.681   2.029  -1.090  1.00  0.00           H  
HETATM   44  H   UNL     1       4.813   3.112   0.320  1.00  0.00           H  
HETATM   45  H   UNL     1       2.519   3.168   1.886  1.00  0.00           H  
HETATM   46  H   UNL     1       1.218   2.114   1.274  1.00  0.00           H  
CONECT    1   15   15   16   28                                       
CONECT    2   18   17   17   29                                       
CONECT    3   18   19   19    4                                       
CONECT    4    3   23   23   22                                       
CONECT    5   25   26   30   31                                       
CONECT    6   27   26   32   33                                       
CONECT    7    8   34   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10                                                 
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   16   16                                       
CONECT   13   14   14   12   39                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14   17    1    1                                       
CONECT   16   12   12    1   41                                       
CONECT   17    2    2   15   19                                       
CONECT   18    2    3                                                 
CONECT   19   17    3    3   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   24                                       
CONECT   22    4   21   21   42                                       
CONECT   23    4    4                                                 
CONECT   24   21   27   25                                            
CONECT   25   24    5   43   44                                       
CONECT   26    6    5                                                 
CONECT   27   24    6   45   46                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
