COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       0.663   0.742   6.843  1.00  0.00           N  
HETATM    2  C   UNK     1      -0.668   0.558   6.251  1.00  0.00           C  
HETATM    3  C   UNK     1      -0.553  -0.315   5.000  1.00  0.00           C  
HETATM    4  C   UNK     1       0.365   0.365   3.985  1.00  0.00           C  
HETATM    5  S   UNK     1       0.501  -0.669   2.501  1.00  0.00           S  
HETATM    6  C   UNK     1      -1.573  -0.112   7.251  1.00  0.00           C  
HETATM    7  O   UNK     1      -1.112  -0.872   8.070  1.00  0.00           O  
HETATM    8  O   UNK     1      -2.893   0.132   7.232  1.00  0.00           O  
HETATM    9  C   UNK     1       1.616   0.354   1.503  1.00  0.00           C  
HETATM   10  C   UNK     1       1.883  -0.337   0.164  1.00  0.00           C  
HETATM   11  O   UNK     1       0.652  -0.486  -0.561  1.00  0.00           O  
HETATM   12  C   UNK     1       2.824   0.529  -0.694  1.00  0.00           C  
HETATM   13  O   UNK     1       4.026  -0.179  -1.001  1.00  0.00           O  
HETATM   14  C   UNK     1       2.009   0.800  -1.986  1.00  0.00           C  
HETATM   15  O   UNK     1       2.844   0.710  -3.143  1.00  0.00           O  
HETATM   16  C   UNK     1       0.970  -0.349  -1.963  1.00  0.00           C  
HETATM   17  N   UNK     1      -0.223   0.014  -2.730  1.00  0.00           N  
HETATM   18  C   UNK     1      -1.297   0.715  -2.267  1.00  0.00           C  
HETATM   19  N   UNK     1      -2.176   0.859  -3.215  1.00  0.00           N  
HETATM   20  C   UNK     1      -1.724   0.261  -4.344  1.00  0.00           C  
HETATM   21  C   UNK     1      -2.228   0.098  -5.645  1.00  0.00           C  
HETATM   22  N   UNK     1      -3.462   0.617  -5.997  1.00  0.00           N  
HETATM   23  N   UNK     1      -1.493  -0.566  -6.531  1.00  0.00           N  
HETATM   24  C   UNK     1      -0.314  -1.065  -6.204  1.00  0.00           C  
HETATM   25  N   UNK     1       0.196  -0.936  -4.998  1.00  0.00           N  
HETATM   26  C   UNK     1      -0.463  -0.283  -4.048  1.00  0.00           C  
HETATM   27  H   UNK     1       1.260   1.096   6.110  1.00  0.00           H  
HETATM   28  H   UNK     1       1.006  -0.176   7.077  1.00  0.00           H  
HETATM   29  H   UNK     1      -1.082   1.528   5.979  1.00  0.00           H  
HETATM   30  H   UNK     1      -0.139  -1.286   5.272  1.00  0.00           H  
HETATM   31  H   UNK     1      -1.541  -0.452   4.561  1.00  0.00           H  
HETATM   32  H   UNK     1      -0.048   1.336   3.713  1.00  0.00           H  
HETATM   33  H   UNK     1       1.354   0.502   4.424  1.00  0.00           H  
HETATM   34  H   UNK     1      -3.474  -0.297   7.874  1.00  0.00           H  
HETATM   35  H   UNK     1       1.155   1.325   1.324  1.00  0.00           H  
HETATM   36  H   UNK     1       2.557   0.491   2.035  1.00  0.00           H  
HETATM   37  H   UNK     1       2.333  -1.315   0.336  1.00  0.00           H  
HETATM   38  H   UNK     1       3.052   1.464  -0.184  1.00  0.00           H  
HETATM   39  H   UNK     1       4.544   0.389  -1.587  1.00  0.00           H  
HETATM   40  H   UNK     1       1.516   1.771  -1.940  1.00  0.00           H  
HETATM   41  H   UNK     1       3.465   1.449  -3.098  1.00  0.00           H  
HETATM   42  H   UNK     1       1.407  -1.269  -2.349  1.00  0.00           H  
HETATM   43  H   UNK     1      -1.402   1.095  -1.262  1.00  0.00           H  
HETATM   44  H   UNK     1      -3.799   0.498  -6.899  1.00  0.00           H  
HETATM   45  H   UNK     1      -3.989   1.101  -5.343  1.00  0.00           H  
HETATM   46  H   UNK     1       0.250  -1.598  -6.954  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3    6   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3    5   32   33                                       
CONECT    5    4    9                                                 
CONECT    6    2    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   34                                                 
CONECT    9    5   10   35   36                                       
CONECT   10    9   11   12   37                                       
CONECT   11   10   16                                                 
CONECT   12   10   13   14   38                                       
CONECT   13   12   39                                                 
CONECT   14   12   15   16   40                                       
CONECT   15   14   41                                                 
CONECT   16   11   14   17   42                                       
CONECT   17   16   18   26                                            
CONECT   18   17   19   19   43                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   44   45                                            
CONECT   23   21   21   24                                            
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   26                                            
CONECT   26   17   20   20   25                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
