COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.039   2.022   0.271  1.00  0.00           C  
HETATM    2  C   UNL     1       4.134   2.727  -0.746  1.00  0.00           C  
HETATM    3  C   UNL     1       0.157   1.755  -0.188  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.781  -0.550  -0.141  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.551  -1.809  -0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.997  -4.173   0.053  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.630  -2.971   0.309  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.917  -1.783   0.244  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.763  -0.319  -0.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.390   1.004   0.116  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.806   2.674   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       6.410  -0.917   1.811  1.00  0.00           C  
HETATM   13  S   UNL     1       5.907  -0.554   0.106  1.00  0.00           S  
HETATM   14  O   UNL     1       6.949   0.119  -0.588  1.00  0.00           O  
HETATM   15  O   UNL     1       5.248  -1.674  -0.468  1.00  0.00           O  
HETATM   16  N   UNL     1       4.716   0.586   0.261  1.00  0.00           N  
HETATM   17  O   UNL     1       2.772   2.381  -0.483  1.00  0.00           O  
HETATM   18  C   UNL     1       2.484   0.988  -0.629  1.00  0.00           C  
HETATM   19  C   UNL     1       3.304   0.193   0.393  1.00  0.00           C  
HETATM   20  C   UNL     1       1.015   0.750  -0.390  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.448   1.069   0.059  1.00  0.00           S  
HETATM   22  N   UNL     1       0.499  -0.458  -0.366  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.923  -3.029  -0.319  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.648  -4.202  -0.257  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.557  -0.568   0.491  1.00  0.00           N  
HETATM   26  O   UNL     1      -5.335  -1.185  -0.689  1.00  0.00           O  
HETATM   27  N   UNL     1      -6.604   1.385  -0.384  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.722   3.048   0.723  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.880   2.019   0.780  1.00  0.00           N  
HETATM   30  H   UNL     1       6.083   2.165  -0.006  1.00  0.00           H  
HETATM   31  H   UNL     1       4.863   2.431   1.266  1.00  0.00           H  
HETATM   32  H   UNL     1       4.258   3.807  -0.656  1.00  0.00           H  
HETATM   33  H   UNL     1       4.403   2.412  -1.753  1.00  0.00           H  
HETATM   34  H   UNL     1       0.405   2.806  -0.173  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.556  -5.096   0.105  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.680  -2.957   0.559  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.667   3.284  -0.228  1.00  0.00           H  
HETATM   38  H   UNL     1       6.778  -0.007   2.283  1.00  0.00           H  
HETATM   39  H   UNL     1       5.554  -1.296   2.369  1.00  0.00           H  
HETATM   40  H   UNL     1       7.201  -1.668   1.804  1.00  0.00           H  
HETATM   41  H   UNL     1       2.746   0.666  -1.636  1.00  0.00           H  
HETATM   42  H   UNL     1       3.200  -0.874   0.198  1.00  0.00           H  
HETATM   43  H   UNL     1       2.953   0.418   1.400  1.00  0.00           H  
HETATM   44  H   UNL     1       0.129  -3.056  -0.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.162  -5.146  -0.455  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.133   0.097   1.056  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.207   0.840  -0.913  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.568   4.016   1.175  1.00  0.00           H  
CONECT    1    2   16   30   31                                       
CONECT    2   17    1   32   33                                       
CONECT    3   21   20   20   34                                       
CONECT    4    5   21   22   22                                       
CONECT    5   23   23    8    4                                       
CONECT    6   24   24    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    5   25                                       
CONECT    9   25   26   26   10                                       
CONECT   10    9   27   29   29                                       
CONECT   11   27   28   28   37                                       
CONECT   12   13   38   39   40                                       
CONECT   13   16   15   15   14                                       
CONECT   13   14   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   19    1   13                                            
CONECT   17   18    2                                                 
CONECT   18   20   17   19   41                                       
CONECT   19   18   16   42   43                                       
CONECT   20   22    3    3   18                                       
CONECT   21    4    3                                                 
CONECT   22    4    4   20                                            
CONECT   23   24    5    5   44                                       
CONECT   24    6    6   23   45                                       
CONECT   25    8    9   46                                            
CONECT   26    9    9                                                 
CONECT   27   10   11   47                                            
CONECT   28   29   11   11   48                                       
CONECT   29   10   10   28                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
