COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.645   1.480   0.291  1.00  0.00           C  
HETATM    2  C   UNL     1       6.295  -0.298  -0.734  1.00  0.00           C  
HETATM    3  C   UNL     1       7.077  -1.401  -1.002  1.00  0.00           C  
HETATM    4  C   UNL     1       6.588  -2.564  -0.559  1.00  0.00           C  
HETATM    5  C   UNL     1       0.811  -0.408  -0.532  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.929   2.450  -0.878  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.455   2.343  -1.092  1.00  0.00           C  
HETATM    8  C   UNL     1       1.873   1.238   0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.913   1.321  -0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       3.569   2.517   1.397  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.025   0.432  -0.588  1.00  0.00           C  
HETATM   12  C   UNL     1       4.536   1.601   1.028  1.00  0.00           C  
HETATM   13  C   UNL     1       4.156   0.438   0.353  1.00  0.00           C  
HETATM   14  C   UNL     1       2.786   0.254   0.076  1.00  0.00           C  
HETATM   15  C   UNL     1       5.157  -0.564  -0.058  1.00  0.00           C  
HETATM   16  N   UNL     1       2.075  -0.720  -0.541  1.00  0.00           N  
HETATM   17  N   UNL     1       0.632   0.792   0.086  1.00  0.00           N  
HETATM   18  N   UNL     1       2.294   2.320   1.125  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.081   3.609  -0.873  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.737   0.535   0.258  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.514  -0.426   0.445  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.073  -2.193   1.612  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.882  -0.811  -0.340  1.00  0.00           O  
HETATM   24  P   UNL     1      -5.692  -1.498   0.210  1.00  0.00           P  
HETATM   25  S   UNL     1       5.051  -2.293   0.251  1.00  0.00           S  
HETATM   26  H   UNL     1      -0.638   2.019   1.238  1.00  0.00           H  
HETATM   27  H   UNL     1       6.574   0.701  -1.036  1.00  0.00           H  
HETATM   28  H   UNL     1       8.015  -1.331  -1.533  1.00  0.00           H  
HETATM   29  H   UNL     1       7.065  -3.525  -0.680  1.00  0.00           H  
HETATM   30  H   UNL     1       0.022  -1.009  -0.958  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.652   3.468  -0.604  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.394   2.135  -1.774  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.675   1.978  -2.095  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.256   1.836   0.870  1.00  0.00           H  
HETATM   35  H   UNL     1       3.865   3.415   1.918  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.839   1.057  -0.957  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.631  -0.171  -1.405  1.00  0.00           H  
HETATM   38  H   UNL     1       5.575   1.783   1.261  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.784   4.304  -1.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.777  -2.852   1.545  1.00  0.00           H  
HETATM   41  O   UNL     1      -5.194  -2.623  -0.829  1.00  0.00           O  
HETATM   42  H   UNL     1      -4.416  -3.115  -0.533  1.00  0.00           H  
CONECT    1    6   17   20   26                                       
CONECT    2   15   15    3   27                                       
CONECT    3    4    4    2   28                                       
CONECT    4   25    3    3   29                                       
CONECT    5   17   16   16   30                                       
CONECT    6    1    7   31   32                                       
CONECT    7    6   19    9   33                                       
CONECT    8   18   18   14   17                                       
CONECT    9    7   20   11   34                                       
CONECT   10   12   12   18   35                                       
CONECT   11    9   21   36   37                                       
CONECT   12   10   10   13   38                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13    8   16                                       
CONECT   15   25   13    2    2                                       
CONECT   16   14    5    5                                            
CONECT   17    8    1    5                                            
CONECT   18   10    8    8                                            
CONECT   19    7   39                                                 
CONECT   20    1    9                                                 
CONECT   21   11   24                                                 
CONECT   22   24   40                                                 
CONECT   23   24   24                                                 
CONECT   24   21   23   23   22                                       
CONECT   24   41                                                      
CONECT   25    4   15                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   19                                                      
CONECT   40   22                                                      
CONECT   41   24   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
