COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.049   2.279  -0.900  1.00  0.00           S  
HETATM    2  C   UNL     1       0.902   0.993  -0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       2.132   0.799   0.818  1.00  0.00           C  
HETATM    4  C   UNL     1       3.202   1.861   0.522  1.00  0.00           C  
HETATM    5  C   UNL     1       2.393   3.098   0.040  1.00  0.00           C  
HETATM    6  C   UNL     1       2.707  -0.566   0.539  1.00  0.00           C  
HETATM    7  C   UNL     1       2.856  -1.476   1.569  1.00  0.00           C  
HETATM    8  C   UNL     1       3.383  -2.728   1.314  1.00  0.00           C  
HETATM    9  C   UNL     1       3.760  -3.071   0.029  1.00  0.00           C  
HETATM   10  C   UNL     1       3.610  -2.162  -1.001  1.00  0.00           C  
HETATM   11  C   UNL     1       3.079  -0.911  -0.746  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.150   0.194  -0.021  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.203   0.464  -0.818  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.322  -0.386  -0.816  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.184   1.447  -1.541  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.282  -0.430   0.175  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.329  -1.464  -0.170  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.680  -2.348  -1.257  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.658  -1.383  -1.901  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.285   0.368   1.333  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.449   1.245   1.472  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.215   0.163   2.293  1.00  0.00           O  
HETATM   23  H   UNL     1       1.856   0.857   1.870  1.00  0.00           H  
HETATM   24  H   UNL     1       3.762   2.100   1.426  1.00  0.00           H  
HETATM   25  H   UNL     1       3.875   1.516  -0.264  1.00  0.00           H  
HETATM   26  H   UNL     1       2.996   3.734  -0.608  1.00  0.00           H  
HETATM   27  H   UNL     1       1.996   3.662   0.884  1.00  0.00           H  
HETATM   28  H   UNL     1       2.562  -1.208   2.573  1.00  0.00           H  
HETATM   29  H   UNL     1       3.500  -3.439   2.119  1.00  0.00           H  
HETATM   30  H   UNL     1       4.172  -4.049  -0.170  1.00  0.00           H  
HETATM   31  H   UNL     1       3.905  -2.429  -2.005  1.00  0.00           H  
HETATM   32  H   UNL     1       2.958  -0.202  -1.552  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.165  -0.587   0.554  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.573  -2.062   0.708  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.224  -0.980  -0.560  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.179  -3.207  -0.810  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.421  -2.668  -1.989  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.101  -0.875  -2.757  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.763  -1.927  -2.204  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.136   0.760   3.050  1.00  0.00           H  
HETATM   41  H   UNL     1       1.681   1.826  -1.998  1.00  0.00           H  
CONECT    1    2    2    5   41                                       
CONECT    2    1    1    3   12                                       
CONECT    3    2    4    6   23                                       
CONECT    4    3    5   24   25                                       
CONECT    5    1    4   26   27                                       
CONECT    6    3    7    7   11                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   31                                       
CONECT   11    6   10   10   32                                       
CONECT   12    2   13   33                                            
CONECT   13   12   14   15   15                                       
CONECT   14   13   16   16   19                                       
CONECT   15   13   13                                                 
CONECT   16   14   14   17   20                                       
CONECT   17   16   18   34   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   14   18   38   39                                       
CONECT   20   16   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   40                                                 
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41    1                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
