COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.987   0.933   0.766  1.00  0.00           C  
HETATM    2  C   UNL     1       5.519   2.020   1.702  1.00  0.00           C  
HETATM    3  C   UNL     1       6.081   1.888   0.284  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.055  -0.269   0.465  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.473  -1.392  -0.148  1.00  0.00           C  
HETATM    6  C   UNL     1       0.846  -1.338  -0.591  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.293  -2.606  -0.301  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.076  -1.484   0.733  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.998   0.807   1.539  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.659   1.665   0.491  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.976   1.437   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.582   2.224  -0.821  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.871   3.240  -1.431  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.401  -3.776   0.015  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.226  -1.516   1.127  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.371  -0.351   0.897  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.949   2.684  -0.116  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.553   3.468  -1.081  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.308   0.888   0.629  1.00  0.00           C  
HETATM   20  C   UNL     1       1.000   0.927   0.189  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.565  -2.582   0.155  1.00  0.00           N  
HETATM   22  O   UNL     1      -0.837  -3.605  -0.824  1.00  0.00           O  
HETATM   23  C   UNL     1       1.572  -0.177  -0.424  1.00  0.00           C  
HETATM   24  S   UNL     1       3.287  -0.098  -0.998  1.00  0.00           S  
HETATM   25  O   UNL     1       4.860  -0.026  -1.524  1.00  0.00           O  
HETATM   26  O   UNL     1       3.480  -1.708  -0.641  1.00  0.00           O  
HETATM   27  N   UNL     1       3.637   1.114   0.215  1.00  0.00           N  
HETATM   28  C   UNL     1       5.391  -0.513   1.061  1.00  0.00           C  
HETATM   29  H   UNL     1       4.868   2.870   1.908  1.00  0.00           H  
HETATM   30  H   UNL     1       6.157   1.706   2.527  1.00  0.00           H  
HETATM   31  H   UNL     1       7.088   1.487   0.178  1.00  0.00           H  
HETATM   32  H   UNL     1       5.799   2.651  -0.442  1.00  0.00           H  
HETATM   33  H   UNL     1       1.298  -2.198  -1.062  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.238   1.390   2.059  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.747   0.465   2.253  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.532   0.644   0.618  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.612   2.046  -1.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.344   3.855  -2.183  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.829  -4.565  -0.472  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.719  -4.115   1.001  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.278  -3.538  -0.587  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.920   2.865   0.160  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.997   4.262  -1.558  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.748   1.755   1.098  1.00  0.00           H  
HETATM   45  H   UNL     1       1.580   1.828   0.317  1.00  0.00           H  
HETATM   46  H   UNL     1       5.065   0.763  -2.043  1.00  0.00           H  
HETATM   47  H   UNL     1       2.689  -2.128  -0.277  1.00  0.00           H  
HETATM   48  H   UNL     1       2.943   1.104   0.947  1.00  0.00           H  
HETATM   49  H   UNL     1       4.925  -0.838   1.991  1.00  0.00           H  
HETATM   50  H   UNL     1       5.061  -1.156   0.245  1.00  0.00           H  
HETATM   51  H   UNL     1       6.475  -0.574   1.157  1.00  0.00           H  
CONECT    1    2    3   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    1    2   31   32                                       
CONECT    4    5    5   16   19                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5   23   23   33                                       
CONECT    7    5   21   22   22                                       
CONECT    8   15   15   16   21                                       
CONECT    9   10   16   34   35                                       
CONECT   10    9   11   11   17                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   18   38                                       
CONECT   14   21   39   40   41                                       
CONECT   15    8    8                                                 
CONECT   16    4    8    9                                            
CONECT   17   10   18   18   42                                       
CONECT   18   13   17   17   43                                       
CONECT   19    4   20   20   44                                       
CONECT   20   19   19   23   45                                       
CONECT   21    7    8   14                                            
CONECT   22    7    7                                                 
CONECT   23    6    6   20   24                                       
CONECT   24   23   25   26   27                                       
CONECT   25   24   46                                                 
CONECT   26   24   47                                                 
CONECT   27    1   24   48                                            
CONECT   28    1   49   50   51                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
