COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.447  -1.219   0.139  1.00  0.00           C  
HETATM    2  O   UNL     1       4.156   0.783  -0.165  1.00  0.00           O  
HETATM    3  C   UNL     1       4.092  -0.523   0.368  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.943  -0.368  -0.042  1.00  0.00           N  
HETATM    5  C   UNL     1       3.822  -0.497   1.875  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.406   1.803   0.049  1.00  0.00           O  
HETATM    7  C   UNL     1       3.008  -1.357  -0.327  1.00  0.00           C  
HETATM    8  C   UNL     1       1.725  -0.548  -0.240  1.00  0.00           C  
HETATM    9  C   UNL     1       1.748   0.791  -0.206  1.00  0.00           C  
HETATM   10  C   UNL     1       3.017   1.614  -0.260  1.00  0.00           C  
HETATM   11  C   UNL     1       3.005   2.649   0.873  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.296   1.356   0.189  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.450   0.650   0.229  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.121  -0.658   0.172  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.846  -0.793   0.100  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.265   0.391   0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.814   0.658   0.036  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.582  -0.117  -0.106  1.00  0.00           C  
HETATM   19  S   UNL     1       0.119   1.435  -0.096  1.00  0.00           S  
HETATM   20  C   UNL     1       3.053   2.372  -1.601  1.00  0.00           C  
HETATM   21  C   UNL     1       0.383  -1.085  -0.189  1.00  0.00           C  
HETATM   22  C   UNL     1       0.075  -2.518  -0.223  1.00  0.00           C  
HETATM   23  O   UNL     1       0.002  -3.150   0.814  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.127  -3.135  -1.404  1.00  0.00           N  
HETATM   25  H   UNL     1       6.234  -0.655   0.639  1.00  0.00           H  
HETATM   26  H   UNL     1       5.409  -2.230   0.546  1.00  0.00           H  
HETATM   27  H   UNL     1       5.655  -1.265  -0.930  1.00  0.00           H  
HETATM   28  H   UNL     1       4.617   0.054   2.377  1.00  0.00           H  
HETATM   29  H   UNL     1       2.866  -0.008   2.064  1.00  0.00           H  
HETATM   30  H   UNL     1       3.789  -1.518   2.256  1.00  0.00           H  
HETATM   31  H   UNL     1       3.278  -1.524  -1.369  1.00  0.00           H  
HETATM   32  H   UNL     1       2.893  -2.309   0.189  1.00  0.00           H  
HETATM   33  H   UNL     1       3.900   3.268   0.810  1.00  0.00           H  
HETATM   34  H   UNL     1       2.120   3.279   0.781  1.00  0.00           H  
HETATM   35  H   UNL     1       2.987   2.135   1.834  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.186   2.430   0.211  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.448   1.058   0.295  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.757  -1.391   0.184  1.00  0.00           H  
HETATM   39  H   UNL     1       3.054   1.657  -2.423  1.00  0.00           H  
HETATM   40  H   UNL     1       2.176   3.015  -1.679  1.00  0.00           H  
HETATM   41  H   UNL     1       3.956   2.982  -1.649  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.069  -2.632  -2.231  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.331  -4.083  -1.427  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.269  -1.281  -0.052  1.00  0.00           H  
CONECT    1    3   25   26   27                                       
CONECT    2    3   10                                                 
CONECT    3    1    2    5    7                                       
CONECT    4   17   18   44                                            
CONECT    5    3   28   29   30                                       
CONECT    6   17   17                                                 
CONECT    7    3    8   31   32                                       
CONECT    8    7    9    9   21                                       
CONECT    9    8    8   10   19                                       
CONECT   10    2    9   11   20                                       
CONECT   11   10   33   34   35                                       
CONECT   12   13   13   16   36                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   38                                            
CONECT   15   14   16   16                                            
CONECT   16   12   15   15   17                                       
CONECT   17    4    6    6   16                                       
CONECT   18    4   19   21   21                                       
CONECT   19    9   18                                                 
CONECT   20   10   39   40   41                                       
CONECT   21    8   18   18   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   42   43                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44    4                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
