COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.769   1.378  -1.110  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.219  -0.188   0.384  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.566   1.953  -1.337  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.648   2.034  -0.307  1.00  0.00           C  
HETATM    5  N   UNL     1       0.133   0.528   1.302  1.00  0.00           N  
HETATM    6  C   UNL     1       1.262   1.287   1.160  1.00  0.00           C  
HETATM    7  C   UNL     1       2.261   0.536   0.670  1.00  0.00           C  
HETATM    8  C   UNL     1       1.728  -0.816   0.482  1.00  0.00           C  
HETATM    9  C   UNL     1       0.387  -0.767   0.902  1.00  0.00           C  
HETATM   10  C   UNL     1       1.480  -3.146  -0.039  1.00  0.00           C  
HETATM   11  C   UNL     1       0.151  -3.093   0.372  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.393  -1.918   0.841  1.00  0.00           C  
HETATM   13  C   UNL     1       2.270  -2.015   0.014  1.00  0.00           C  
HETATM   14  O   UNL     1       2.000  -4.314  -0.500  1.00  0.00           O  
HETATM   15  C   UNL     1       1.127  -5.445  -0.532  1.00  0.00           C  
HETATM   16  C   UNL     1       3.664   0.996   0.368  1.00  0.00           C  
HETATM   17  C   UNL     1       5.172   1.839  -1.411  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.319   1.079   1.877  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.479   0.967   0.556  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.130  -0.279  -0.651  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.305   0.792  -1.515  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.741   0.147   2.862  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.145   2.465   2.142  1.00  0.00           O  
HETATM   24  O   UNL     1       6.002   1.859  -0.534  1.00  0.00           O  
HETATM   25  O   UNL     1       5.498   2.226  -2.654  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.208   0.710  -2.527  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.934  -0.515  -2.651  1.00  0.00           C  
HETATM   28  H   UNL     1       3.530   0.512  -1.727  1.00  0.00           H  
HETATM   29  H   UNL     1       3.067   2.184  -1.327  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.082  -1.022   1.056  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.701   2.788  -2.008  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.072   2.937  -0.168  1.00  0.00           H  
HETATM   33  H   UNL     1       1.339   2.336   1.406  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.459  -3.983   0.326  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.424  -1.889   1.161  1.00  0.00           H  
HETATM   36  H   UNL     1       3.301  -2.057  -0.306  1.00  0.00           H  
HETATM   37  H   UNL     1       1.667  -6.310  -0.919  1.00  0.00           H  
HETATM   38  H   UNL     1       0.772  -5.660   0.476  1.00  0.00           H  
HETATM   39  H   UNL     1       0.277  -5.229  -1.179  1.00  0.00           H  
HETATM   40  H   UNL     1       4.365   0.191   0.586  1.00  0.00           H  
HETATM   41  H   UNL     1       3.902   1.862   0.985  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.704  -1.183  -0.788  1.00  0.00           H  
HETATM   43  H   UNL     1       6.410   2.513  -2.799  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.619  -0.448  -3.496  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.236  -1.336  -2.814  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.500  -0.696  -1.737  1.00  0.00           H  
CONECT    1   16   17   28   29                                       
CONECT    2   19   19   20   30                                       
CONECT    3    4    4   21   31                                       
CONECT    4    3    3   19   32                                       
CONECT    5    9    6   18                                            
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   16                                       
CONECT    8    7   13   13    9                                       
CONECT    9    5    8   12   12                                       
CONECT   10   14   11   11   13                                       
CONECT   11   10   10   12   34                                       
CONECT   12    9    9   11   35                                       
CONECT   13    8    8   10   36                                       
CONECT   14   10   15                                                 
CONECT   15   14   37   38   39                                       
CONECT   16    1    7   40   41                                       
CONECT   17    1   24   24   25                                       
CONECT   18    5   23   23   22                                       
CONECT   18   22   19                                                 
CONECT   19    2    2    4   18                                       
CONECT   20    2   21   21   42                                       
CONECT   21    3   20   20   26                                       
CONECT   22   18   18                                                 
CONECT   23   18   18                                                 
CONECT   24   17   17                                                 
CONECT   25   17   43                                                 
CONECT   26   21   27                                                 
CONECT   27   26   44   45   46                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
