COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.671   0.031   0.642  1.00  0.00           C  
HETATM    2  O   UNL     1       4.444  -0.282  -1.267  1.00  0.00           O  
HETATM    3  O   UNL     1       6.243   0.265   0.380  1.00  0.00           O  
HETATM    4  C   UNL     1       2.128  -1.182   0.230  1.00  0.00           C  
HETATM    5  C   UNL     1       0.799  -1.241  -0.149  1.00  0.00           C  
HETATM    6  C   UNL     1       0.005  -0.102  -0.121  1.00  0.00           C  
HETATM    7  S   UNL     1       4.928   0.425  -0.133  1.00  0.00           S  
HETATM    8  N   UNL     1       4.753   2.036  -0.479  1.00  0.00           N  
HETATM    9  O   UNL     1       3.978   0.105   1.012  1.00  0.00           O  
HETATM   10  C   UNL     1       0.539   1.098   0.297  1.00  0.00           C  
HETATM   11  C   UNL     1       1.877   1.162   0.669  1.00  0.00           C  
HETATM   12  O   UNL     1       2.898  -2.302   0.199  1.00  0.00           O  
HETATM   13  C   UNL     1       2.271  -3.510  -0.236  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.423  -0.221  -0.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.575   2.245  -0.402  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.269   2.367   0.381  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.022  -1.571  -0.201  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.487  -1.661  -0.670  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.242  -0.509  -0.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.724  -0.391  -0.381  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.065  -0.546   1.477  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.643   0.816  -0.592  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.672   1.842  -0.108  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.026   1.128  -0.370  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.254   0.936   0.001  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.512  -1.061   0.604  1.00  0.00           O  
HETATM   27  H   UNL     1       2.298   2.103   0.990  1.00  0.00           H  
HETATM   28  H   UNL     1       0.375  -2.181  -0.469  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.443  -0.130  -1.655  1.00  0.00           H  
HETATM   30  H   UNL     1       4.126   2.575   0.028  1.00  0.00           H  
HETATM   31  H   UNL     1       5.278   2.440  -1.187  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.497   2.576   1.426  1.00  0.00           H  
HETATM   33  H   UNL     1       0.317   3.191  -0.028  1.00  0.00           H  
HETATM   34  H   UNL     1       1.438  -3.746   0.427  1.00  0.00           H  
HETATM   35  H   UNL     1       1.900  -3.381  -1.253  1.00  0.00           H  
HETATM   36  H   UNL     1       2.995  -4.324  -0.213  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.443  -2.363  -0.677  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.982  -1.699   0.881  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.293   0.861   1.088  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.227   3.085  -0.164  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.364   2.235  -1.472  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.532  -1.585  -1.757  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.921  -2.608  -0.347  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.919  -0.808  -1.369  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.002  -0.562   1.718  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.523   0.339   1.918  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.542  -1.440   1.877  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.606   0.797  -1.681  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.431   1.436  -1.334  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.734   1.363   0.426  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.464  -1.019   0.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.543   2.046   0.956  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.602   2.762  -0.688  1.00  0.00           H  
CONECT    1    4    9   11   11                                       
CONECT    2    7    7                                                 
CONECT    3    7    7                                                 
CONECT    4    1    5    5   12                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5   10   10   14                                       
CONECT    7    2    2    3    3                                       
CONECT    7    8    9                                                 
CONECT    8    7   30   31                                            
CONECT    9    1    7                                                 
CONECT   10    6    6   11   16                                       
CONECT   11    1    1   10   27                                       
CONECT   12    4   13                                                 
CONECT   13   12   34   35   36                                       
CONECT   14    6   17   25   29                                       
CONECT   15   16   25   40   41                                       
CONECT   16   10   15   32   33                                       
CONECT   17   14   18   37   38                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19   24   26   44                                       
CONECT   21   19   45   46   47                                       
CONECT   22   19   23   25   48                                       
CONECT   23   22   24   52   53                                       
CONECT   24   20   23   49   50                                       
CONECT   25   14   15   22   39                                       
CONECT   26   20   51                                                 
CONECT   27   11                                                      
CONECT   28    5                                                      
CONECT   29   14                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   25                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
