COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -8.330   0.508  -0.508  1.00  0.00           S  
HETATM    2  O   UNL     1      -7.534  -0.140  -1.490  1.00  0.00           O  
HETATM    3  O   UNL     1      -9.706   0.216  -0.306  1.00  0.00           O  
HETATM    4  O   UNL     1      -7.641   0.273   0.828  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.287   0.193   0.745  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.679  -1.037   0.529  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.306  -1.122   0.439  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.517   1.342   0.871  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.143   1.265   0.787  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.526   0.031   0.565  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.100  -0.053   0.472  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.930  -0.121   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       0.496  -0.205   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1       1.276   0.948   0.428  1.00  0.00           C  
HETATM   15  C   UNL     1       2.647   0.860   0.336  1.00  0.00           C  
HETATM   16  C   UNL     1       1.113  -1.440   0.091  1.00  0.00           C  
HETATM   17  C   UNL     1       2.489  -1.523   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1       3.122  -2.872  -0.216  1.00  0.00           C  
HETATM   19  C   UNL     1       3.193  -3.618   1.118  1.00  0.00           C  
HETATM   20  C   UNL     1       2.270  -3.677  -1.199  1.00  0.00           C  
HETATM   21  C   UNL     1       3.257  -0.373   0.119  1.00  0.00           C  
HETATM   22  N   UNL     1       4.653  -0.431   0.023  1.00  0.00           N  
HETATM   23  C   UNL     1       5.317  -1.739   0.102  1.00  0.00           C  
HETATM   24  C   UNL     1       4.533  -2.717  -0.783  1.00  0.00           C  
HETATM   25  C   UNL     1       5.376   0.696  -0.139  1.00  0.00           C  
HETATM   26  O   UNL     1       4.815   1.756  -0.314  1.00  0.00           O  
HETATM   27  C   UNL     1       6.881   0.637  -0.101  1.00  0.00           C  
HETATM   28  C   UNL     1       7.449   2.056  -0.173  1.00  0.00           C  
HETATM   29  C   UNL     1       8.954   1.997  -0.136  1.00  0.00           C  
HETATM   30  O   UNL     1       9.672   3.130  -0.187  1.00  0.00           O  
HETATM   31  O   UNL     1       9.516   0.929  -0.060  1.00  0.00           O  
HETATM   32  H   UNL     1      -6.282  -1.928   0.432  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.834  -2.079   0.272  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.995   2.296   1.034  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.545   2.159   0.885  1.00  0.00           H  
HETATM   36  H   UNL     1       0.804   1.906   0.596  1.00  0.00           H  
HETATM   37  H   UNL     1       3.251   1.750   0.433  1.00  0.00           H  
HETATM   38  H   UNL     1       0.512  -2.333  -0.002  1.00  0.00           H  
HETATM   39  H   UNL     1       2.187  -3.747   1.516  1.00  0.00           H  
HETATM   40  H   UNL     1       3.651  -4.596   0.964  1.00  0.00           H  
HETATM   41  H   UNL     1       3.793  -3.044   1.824  1.00  0.00           H  
HETATM   42  H   UNL     1       1.265  -3.798  -0.795  1.00  0.00           H  
HETATM   43  H   UNL     1       2.217  -3.148  -2.151  1.00  0.00           H  
HETATM   44  H   UNL     1       2.720  -4.657  -1.353  1.00  0.00           H  
HETATM   45  H   UNL     1       6.342  -1.655  -0.259  1.00  0.00           H  
HETATM   46  H   UNL     1       5.317  -2.091   1.134  1.00  0.00           H  
HETATM   47  H   UNL     1       5.033  -3.685  -0.789  1.00  0.00           H  
HETATM   48  H   UNL     1       4.477  -2.326  -1.799  1.00  0.00           H  
HETATM   49  H   UNL     1       7.203   0.163   0.826  1.00  0.00           H  
HETATM   50  H   UNL     1       7.243   0.057  -0.951  1.00  0.00           H  
HETATM   51  H   UNL     1       7.127   2.530  -1.100  1.00  0.00           H  
HETATM   52  H   UNL     1       7.087   2.635   0.676  1.00  0.00           H  
HETATM   53  H   UNL     1      10.634   3.042  -0.160  1.00  0.00           H  
HETATM   54  F   UNL     1      -8.241   2.085  -0.819  1.00  0.00           F  
CONECT    1    3    3    4    2                                       
CONECT    1    2   54                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    5    1                                                 
CONECT    5    6    8    8    4                                       
CONECT    6    7    7    5   32                                       
CONECT    7    6    6   10   33                                       
CONECT    8    9    5    5   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10    7   11    9    9                                       
CONECT   11   12   12   12   10                                       
CONECT   12   13   11   11   11                                       
CONECT   13   16   12   14   14                                       
CONECT   14   13   13   15   36                                       
CONECT   15   21   21   14   37                                       
CONECT   16   17   17   13   38                                       
CONECT   17   18   16   16   21                                       
CONECT   18   20   24   19   17                                       
CONECT   19   18   39   40   41                                       
CONECT   20   18   42   43   44                                       
CONECT   21   17   22   15   15                                       
CONECT   22   25   23   21                                            
CONECT   23   24   22   45   46                                       
CONECT   24   18   23   47   48                                       
CONECT   25   26   26   27   22                                       
CONECT   26   25   25                                                 
CONECT   27   28   25   49   50                                       
CONECT   28   29   27   51   52                                       
CONECT   29   31   31   30   28                                       
CONECT   30   29   53                                                 
CONECT   31   29   29                                                 
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54    1                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
