COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.749  -1.983   0.201  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.722  -2.559  -2.007  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.722  -1.594  -1.997  1.00  0.00           O  
HETATM    4  O   UNL     1       0.227   4.003  -1.582  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.511  -0.021   2.364  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.479  -0.817   1.770  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.308   0.208   1.730  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.249  -1.393   0.540  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.189   2.524  -0.371  1.00  0.00           C  
HETATM   10  C   UNL     1       1.170   2.096  -0.520  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.254   0.599   0.705  1.00  0.00           C  
HETATM   12  C   UNL     1      10.668  -0.995  -0.241  1.00  0.00           C  
HETATM   13  C   UNL     1       9.310  -1.450   0.298  1.00  0.00           C  
HETATM   14  C   UNL     1       8.229  -0.462  -0.144  1.00  0.00           C  
HETATM   15  C   UNL     1       6.871  -0.916   0.395  1.00  0.00           C  
HETATM   16  C   UNL     1       5.790   0.071  -0.048  1.00  0.00           C  
HETATM   17  C   UNL     1       4.432  -0.383   0.492  1.00  0.00           C  
HETATM   18  C   UNL     1       3.351   0.604   0.049  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.717   0.998   0.891  1.00  0.00           C  
HETATM   20  O   UNL     1       2.082   0.180   0.553  1.00  0.00           O  
HETATM   21  S   UNL     1      -3.521  -0.073  -0.327  1.00  0.00           S  
HETATM   22  C   UNL     1      -5.780  -1.786  -1.431  1.00  0.00           C  
HETATM   23  C   UNL     1       0.071   2.882  -0.830  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.348   1.384   0.394  1.00  0.00           C  
HETATM   25  C   UNL     1       1.007   0.953   0.248  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.056  -0.364   0.487  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.033  -1.175  -0.115  1.00  0.00           C  
HETATM   28  H   UNL     1      11.784  -2.019   1.290  1.00  0.00           H  
HETATM   29  H   UNL     1      11.517  -2.974  -0.188  1.00  0.00           H  
HETATM   30  H   UNL     1      12.716  -1.659  -0.183  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.510  -2.938  -2.870  1.00  0.00           H  
HETATM   32  H   UNL     1       0.405   4.801  -1.067  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.702   0.425   3.329  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.418  -0.988   2.275  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.562   0.832   2.197  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.006  -2.012   0.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.045   3.138  -0.608  1.00  0.00           H  
HETATM   38  H   UNL     1       2.151   2.373  -0.876  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.382  -0.291   1.303  1.00  0.00           H  
HETATM   40  H   UNL     1      10.900  -0.004   0.148  1.00  0.00           H  
HETATM   41  H   UNL     1      10.632  -0.959  -1.330  1.00  0.00           H  
HETATM   42  H   UNL     1       9.078  -2.441  -0.091  1.00  0.00           H  
HETATM   43  H   UNL     1       9.345  -1.486   1.387  1.00  0.00           H  
HETATM   44  H   UNL     1       8.461   0.529   0.245  1.00  0.00           H  
HETATM   45  H   UNL     1       8.193  -0.426  -1.233  1.00  0.00           H  
HETATM   46  H   UNL     1       6.639  -1.908   0.006  1.00  0.00           H  
HETATM   47  H   UNL     1       6.906  -0.953   1.484  1.00  0.00           H  
HETATM   48  H   UNL     1       6.022   1.063   0.342  1.00  0.00           H  
HETATM   49  H   UNL     1       5.754   0.108  -1.136  1.00  0.00           H  
HETATM   50  H   UNL     1       4.200  -1.375   0.102  1.00  0.00           H  
HETATM   51  H   UNL     1       4.467  -0.420   1.581  1.00  0.00           H  
HETATM   52  H   UNL     1       3.583   1.596   0.438  1.00  0.00           H  
HETATM   53  H   UNL     1       3.315   0.641  -1.040  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.318   1.895   1.038  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.623   0.465   1.837  1.00  0.00           H  
CONECT    1   12   28   29   30                                       
CONECT    2   22   31                                                 
CONECT    3   22   22                                                 
CONECT    4   23   32                                                 
CONECT    5    7    7    6   33                                       
CONECT    6    5    8    8   34                                       
CONECT    7    5    5   26   35                                       
CONECT    8    6    6   27   36                                       
CONECT    9   24   24   23   37                                       
CONECT   10   23   23   25   38                                       
CONECT   11   24   25   25   39                                       
CONECT   12    1   13   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   20   52   53                                       
CONECT   19   21   24   54   55                                       
CONECT   20   18   25                                                 
CONECT   21   19   26                                                 
CONECT   22    2    3    3   27                                       
CONECT   23    4    9   10   10                                       
CONECT   24    9    9   11   19                                       
CONECT   25   10   11   11   20                                       
CONECT   26    7   21   27   27                                       
CONECT   27    8   22   26   26                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
