COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.004  -2.488   0.072  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.003  -0.295  -0.180  1.00  0.00           N  
HETATM    3  O   UNL     1       0.793  -1.931   0.806  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.099  -1.700  -0.585  1.00  0.00           C  
HETATM    5  C   UNL     1       5.781   1.735   1.639  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.207   0.249  -2.452  1.00  0.00           O  
HETATM    7  O   UNL     1      -0.721   2.072  -0.821  1.00  0.00           O  
HETATM    8  O   UNL     1       1.155  -4.552   0.457  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.806   1.996   0.221  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.370  -0.176   0.742  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.466   1.743   0.446  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.048  -0.506   0.973  1.00  0.00           C  
HETATM   13  C   UNL     1       3.711  -0.072  -0.785  1.00  0.00           C  
HETATM   14  C   UNL     1       3.215   1.672   0.790  1.00  0.00           C  
HETATM   15  C   UNL     1       2.391  -0.075  -1.192  1.00  0.00           C  
HETATM   16  C   UNL     1       1.899   1.672   0.371  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.621   0.151   1.071  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.707   1.045   0.373  1.00  0.00           N  
HETATM   19  N   UNL     1       0.118  -3.811  -0.160  1.00  0.00           N  
HETATM   20  O   UNL     1       5.424   0.808   0.612  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.074   0.470   0.829  1.00  0.00           C  
HETATM   22  C   UNL     1       4.127   0.803   0.209  1.00  0.00           C  
HETATM   23  C   UNL     1       1.486   0.796  -0.615  1.00  0.00           C  
HETATM   24  S   UNL     1      -0.197   0.789  -1.138  1.00  0.00           S  
HETATM   25  H   UNL     1      -1.003  -1.773  -1.668  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.065  -2.101  -0.277  1.00  0.00           H  
HETATM   27  H   UNL     1       5.197   1.526   2.535  1.00  0.00           H  
HETATM   28  H   UNL     1       6.843   1.635   1.866  1.00  0.00           H  
HETATM   29  H   UNL     1       5.576   2.750   1.299  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.120   2.985  -0.077  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.135  -0.930   0.851  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.734   2.528   0.324  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.779  -1.507   1.275  1.00  0.00           H  
HETATM   34  H   UNL     1       4.418  -0.753  -1.236  1.00  0.00           H  
HETATM   35  H   UNL     1       3.537   2.357   1.561  1.00  0.00           H  
HETATM   36  H   UNL     1       2.066  -0.759  -1.963  1.00  0.00           H  
HETATM   37  H   UNL     1       1.192   2.358   0.814  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.542  -0.640   1.817  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.108   1.043   1.432  1.00  0.00           H  
HETATM   40  H   UNL     1       1.155  -5.492   0.230  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.511  -4.255  -0.750  1.00  0.00           H  
CONECT    1    4    3    3   19                                       
CONECT    2   24   17    4                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   25   26                                       
CONECT    5   27   28   29   20                                       
CONECT    6   24   24                                                 
CONECT    7   24   24                                                 
CONECT    8   19   40                                                 
CONECT    9   11   30   18   18                                       
CONECT   10   12   12   18   31                                       
CONECT   11    9   32   21   21                                       
CONECT   12   10   10   21   33                                       
CONECT   13   15   34   22   22                                       
CONECT   14   16   16   35   22                                       
CONECT   15   13   23   23   36                                       
CONECT   16   14   14   23   37                                       
CONECT   17    2   38   39   21                                       
CONECT   18   10    9    9                                            
CONECT   19    8    1   41                                            
CONECT   20    5   22                                                 
CONECT   21   12   11   11   17                                       
CONECT   22   20   13   13   14                                       
CONECT   23   15   15   16   24                                       
CONECT   24    2   23    6    6                                       
CONECT   24    7    7                                                 
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40    8                                                      
CONECT   41   19                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
