COMPND    HMDB0250138
HETATM    1  C1  UNL     1      -1.269   2.024  -1.611  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.156   0.648  -1.454  1.00  0.00           O  
HETATM    3  P1  UNL     1      -1.722   0.112   0.027  1.00  0.00           P  
HETATM    4  S1  UNL     1      -2.144   1.436   1.051  1.00  0.00           S  
HETATM    5  O2  UNL     1      -3.062  -0.901  -0.087  1.00  0.00           O  
HETATM    6  C2  UNL     1      -3.093  -1.883   0.869  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.479  -0.768   0.852  1.00  0.00           O  
HETATM    8  C3  UNL     1       0.866  -0.436   0.645  1.00  0.00           C  
HETATM    9  N1  UNL     1       1.494   0.398   1.487  1.00  0.00           N  
HETATM   10  C4  UNL     1       2.775   0.724   1.301  1.00  0.00           C  
HETATM   11 CL1  UNL     1       3.519   1.812   2.444  1.00  0.00          CL  
HETATM   12  C5  UNL     1       3.525   0.230   0.248  1.00  0.00           C  
HETATM   13 CL2  UNL     1       5.208   0.675   0.017  1.00  0.00          CL  
HETATM   14  C6  UNL     1       2.884  -0.629  -0.621  1.00  0.00           C  
HETATM   15  C7  UNL     1       1.568  -0.952  -0.415  1.00  0.00           C  
HETATM   16 CL3  UNL     1       0.773  -2.045  -1.525  1.00  0.00          CL  
HETATM   17  H1  UNL     1      -0.542   2.590  -1.023  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.044   2.227  -2.688  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.315   2.368  -1.455  1.00  0.00           H  
HETATM   20  H4  UNL     1      -3.429  -2.858   0.419  1.00  0.00           H  
HETATM   21  H5  UNL     1      -2.073  -2.081   1.251  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.739  -1.649   1.735  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.454  -1.041  -1.469  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3
CONECT    3    4    4    5    7
CONECT    5    6
CONECT    6   20   21   22
CONECT    7    8
CONECT    8    9    9   15
CONECT    9   10
CONECT   10   11   12   12
CONECT   12   13   14
CONECT   14   15   15   23
CONECT   15   16
END