COMPND    HMDB0060876
HETATM    1  O1  UNL     1      -3.195   1.892   0.993  1.00  0.00           O  
HETATM    2  P1  UNL     1      -3.208   0.492   0.423  1.00  0.00           P  
HETATM    3  O2  UNL     1      -3.786   0.623  -1.180  1.00  0.00           O  
HETATM    4  O3  UNL     1      -4.312  -0.409   1.335  1.00  0.00           O  
HETATM    5  O4  UNL     1      -1.705  -0.272   0.499  1.00  0.00           O  
HETATM    6  N1  UNL     1      -0.511   0.340   0.292  1.00  0.00           N  
HETATM    7  C1  UNL     1      -0.296   1.657   0.378  1.00  0.00           C  
HETATM    8  N2  UNL     1       1.021   1.881   0.104  1.00  0.00           N  
HETATM    9  C2  UNL     1       1.635   0.702  -0.156  1.00  0.00           C  
HETATM   10  C3  UNL     1       2.929   0.352  -0.484  1.00  0.00           C  
HETATM   11  S1  UNL     1       4.184   1.612  -0.638  1.00  0.00           S  
HETATM   12  N3  UNL     1       3.190  -0.962  -0.677  1.00  0.00           N  
HETATM   13  C4  UNL     1       2.269  -1.911  -0.566  1.00  0.00           C  
HETATM   14  O5  UNL     1       2.574  -3.270  -0.775  1.00  0.00           O  
HETATM   15  N4  UNL     1       1.016  -1.543  -0.246  1.00  0.00           N  
HETATM   16  C5  UNL     1       0.638  -0.268  -0.030  1.00  0.00           C  
HETATM   17  H1  UNL     1      -3.798  -0.317  -1.538  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.075  -1.364   1.379  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.962   2.475   0.612  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.406   2.248   0.618  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.985  -3.959  -0.342  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   17
CONECT    4   18
CONECT    5    6
CONECT    6    7   16
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   20
CONECT   12   13   13
CONECT   13   14   15
CONECT   14   21
CONECT   15   16   16
END