COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.309  -2.818  -0.257  1.00  0.00           O  
HETATM    2  C   UNL     1       6.699  -1.744   0.135  1.00  0.00           C  
HETATM    3  O   UNL     1       7.989  -1.581   0.470  1.00  0.00           O  
HETATM    4  C   UNL     1       5.740  -0.587   0.243  1.00  0.00           C  
HETATM    5  C   UNL     1       4.347  -1.036  -0.201  1.00  0.00           C  
HETATM    6  C   UNL     1       3.373   0.139  -0.092  1.00  0.00           C  
HETATM    7  S   UNL     1       1.725  -0.393  -0.618  1.00  0.00           S  
HETATM    8  C   UNL     1       0.833   1.111  -0.397  1.00  0.00           C  
HETATM    9  N   UNL     1       1.349   2.236   0.033  1.00  0.00           N  
HETATM   10  C   UNL     1       0.384   3.191   0.084  1.00  0.00           C  
HETATM   11  C   UNL     1       0.384   4.536   0.459  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.784   5.263   0.401  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.962   4.669  -0.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.979   3.340  -0.402  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.812   2.594  -0.350  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.498   1.279  -0.653  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.423   0.258  -1.152  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.091  -0.427   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.750  -0.193   1.264  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.712  -1.145   2.378  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.615  -1.891   1.066  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.646  -2.837   1.093  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.209  -3.279  -0.080  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.759  -2.790  -1.299  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.757  -1.870  -1.348  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.164  -1.393  -0.159  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.283  -1.352  -2.681  1.00  0.00           C  
HETATM   28  H   UNL     1       8.567  -2.351   0.380  1.00  0.00           H  
HETATM   29  H   UNL     1       5.699  -0.245   1.277  1.00  0.00           H  
HETATM   30  H   UNL     1       6.080   0.228  -0.396  1.00  0.00           H  
HETATM   31  H   UNL     1       4.388  -1.379  -1.235  1.00  0.00           H  
HETATM   32  H   UNL     1       4.007  -1.851   0.438  1.00  0.00           H  
HETATM   33  H   UNL     1       3.332   0.481   0.942  1.00  0.00           H  
HETATM   34  H   UNL     1       3.713   0.953  -0.731  1.00  0.00           H  
HETATM   35  H   UNL     1       1.298   5.005   0.794  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.784   6.303   0.692  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.872   5.249  -0.068  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.899   2.883  -0.734  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.180   0.729  -1.779  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.871  -0.476  -1.739  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.975   0.497   1.565  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.999  -3.220   2.039  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.004  -4.010  -0.053  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.207  -3.143  -2.216  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.797  -0.419  -2.913  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.208  -1.173  -2.641  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.500  -2.088  -3.456  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   28                                                 
CONECT    4    5    2   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6    8                                                 
CONECT    8    9    9    7   16                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14   15   15   13   38                                       
CONECT   15   10   16   14   14                                       
CONECT   16    8   15   17                                            
CONECT   17   16   18   39   40                                       
CONECT   18   17   19   19   26                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21                                                 
CONECT   21   20   26   26   22                                       
CONECT   22   21   23   23   42                                       
CONECT   23   24   22   22   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   26   27   24   24                                       
CONECT   26   18   25   21   21                                       
CONECT   27   25   45   46   47                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
