COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.784   1.022  -1.460  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.306  -0.240  -1.159  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.486  -0.428  -0.062  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.293  -1.382  -0.126  1.00  0.00           C  
HETATM    5  O   UNL     1       3.508   2.721   0.078  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.570  -2.035   1.704  1.00  0.00           O  
HETATM    7  C   UNL     1       0.540  -0.078  -1.183  1.00  0.00           C  
HETATM    8  C   UNL     1       2.322   0.469   0.320  1.00  0.00           C  
HETATM    9  C   UNL     1       5.133   0.748   0.061  1.00  0.00           C  
HETATM   10  C   UNL     1       7.397  -0.410  -1.037  1.00  0.00           C  
HETATM   11  C   UNL     1       6.989  -0.758   0.247  1.00  0.00           C  
HETATM   12  C   UNL     1       5.857  -0.176   0.793  1.00  0.00           C  
HETATM   13  C   UNL     1       1.941  -0.569   1.150  1.00  0.00           C  
HETATM   14  C   UNL     1       0.865  -1.368   0.808  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.615   1.912   0.442  1.00  0.00           C  
HETATM   16  S   UNL     1      -4.879  -2.039   0.317  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.786  -2.958  -0.276  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.140   0.645   0.739  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.276   2.968   1.228  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.437   2.102  -0.666  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.906   3.344  -0.961  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.440  -2.221  -0.482  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.018  -1.981  -0.722  1.00  0.00           C  
HETATM   24  C   UNL     1       0.162  -1.118  -0.356  1.00  0.00           C  
HETATM   25  C   UNL     1       1.622   0.714  -0.846  1.00  0.00           C  
HETATM   26  S   UNL     1       3.693   1.487   0.756  1.00  0.00           S  
HETATM   27  O   UNL     1       3.833   1.389   2.167  1.00  0.00           O  
HETATM   28  O   UNL     1       7.698  -1.671   0.963  1.00  0.00           O  
HETATM   29  O   UNL     1       8.508  -0.979  -1.577  1.00  0.00           O  
HETATM   30  C   UNL     1       6.671   0.520  -1.763  1.00  0.00           C  
HETATM   31  C   UNL     1       5.541   1.097  -1.213  1.00  0.00           C  
HETATM   32  H   UNL     1      -7.424   1.166  -2.318  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.574  -1.081  -1.781  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.441  -0.377  -0.521  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.200  -1.336   0.959  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.006   0.114  -2.094  1.00  0.00           H  
HETATM   37  H   UNL     1       5.538  -0.444   1.789  1.00  0.00           H  
HETATM   38  H   UNL     1       2.487  -0.761   2.062  1.00  0.00           H  
HETATM   39  H   UNL     1       0.566  -2.178   1.457  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.503   0.495   1.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.469   3.422   0.951  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.749   3.557  -0.538  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.357  -2.883  -1.186  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.870  -2.986  -0.327  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.111  -2.028  -1.807  1.00  0.00           H  
HETATM   46  H   UNL     1       1.921   1.524  -1.495  1.00  0.00           H  
HETATM   47  H   UNL     1       8.402  -1.287   1.504  1.00  0.00           H  
HETATM   48  H   UNL     1       8.334  -1.795  -2.067  1.00  0.00           H  
HETATM   49  H   UNL     1       6.985   0.792  -2.760  1.00  0.00           H  
HETATM   50  H   UNL     1       4.976   1.822  -1.779  1.00  0.00           H  
CONECT    1   20   20    2   32                                       
CONECT    2    1    3    3   33                                       
CONECT    3    2    2   16   18                                       
CONECT    4   22   23   34   35                                       
CONECT    5   26   26                                                 
CONECT    6   16   16                                                 
CONECT    7   24   24   25   36                                       
CONECT    8   25   25   26   13                                       
CONECT    9   26   31   31   12                                       
CONECT   10   30   30   29   11                                       
CONECT   11   10   28   12   12                                       
CONECT   12   11   11    9   37                                       
CONECT   13    8   14   14   38                                       
CONECT   14   13   13   24   39                                       
CONECT   15   18   18   20   19                                       
CONECT   16    3   17   17   22                                       
CONECT   16    6    6                                                 
CONECT   17   16   16                                                 
CONECT   18    3   15   15   40                                       
CONECT   19   15   41                                                 
CONECT   20   21    1    1   15                                       
CONECT   21   20   42                                                 
CONECT   22   16    4   43                                            
CONECT   23    4   24   44   45                                       
CONECT   24   23    7    7   14                                       
CONECT   25    7    8    8   46                                       
CONECT   26    8    9   27   27                                       
CONECT   26    5    5                                                 
CONECT   27   26   26                                                 
CONECT   28   11   47                                                 
CONECT   29   10   48                                                 
CONECT   30   31   10   10   49                                       
CONECT   31    9    9   30   50                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
