COMPND    HMDB0060555
HETATM    1  O1  UNL     1       4.719  -0.330   0.754  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.425  -0.346   0.197  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.666  -1.486   0.290  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.393  -1.517  -0.253  1.00  0.00           C  
HETATM    5 CL1  UNL     1       0.449  -2.985  -0.119  1.00  0.00          CL  
HETATM    6  C4  UNL     1       0.849  -0.404  -0.903  1.00  0.00           C  
HETATM    7  N1  UNL     1      -0.456  -0.435  -1.460  1.00  0.00           N  
HETATM    8  C5  UNL     1      -1.633  -0.058  -0.705  1.00  0.00           C  
HETATM    9  N2  UNL     1      -2.700  -0.757  -0.562  1.00  0.00           N  
HETATM   10  C6  UNL     1      -3.706  -0.119   0.247  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.232   1.313   0.344  1.00  0.00           C  
HETATM   12  N3  UNL     1      -1.825   1.149   0.014  1.00  0.00           N  
HETATM   13  C8  UNL     1       1.619   0.736  -0.991  1.00  0.00           C  
HETATM   14 CL2  UNL     1       1.039   2.189  -1.783  1.00  0.00          CL  
HETATM   15  C9  UNL     1       2.900   0.748  -0.438  1.00  0.00           C  
HETATM   16  H1  UNL     1       5.110  -1.114   1.216  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.097  -2.347   0.797  1.00  0.00           H  
HETATM   18  H3  UNL     1      -0.546  -0.744  -2.449  1.00  0.00           H  
HETATM   19  H4  UNL     1      -4.672  -0.121  -0.280  1.00  0.00           H  
HETATM   20  H5  UNL     1      -3.772  -0.538   1.272  1.00  0.00           H  
HETATM   21  H6  UNL     1      -3.734   1.968  -0.407  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.399   1.706   1.350  1.00  0.00           H  
HETATM   23  H8  UNL     1      -1.103   1.847   0.290  1.00  0.00           H  
HETATM   24  H9  UNL     1       3.514   1.645  -0.504  1.00  0.00           H  
CONECT    1    2   16
CONECT    2    3    3   15
CONECT    3    4   17
CONECT    4    5    6    6
CONECT    6    7   13
CONECT    7    8   18
CONECT    8    9    9   12
CONECT    9   10
CONECT   10   11   19   20
CONECT   11   12   21   22
CONECT   12   23
CONECT   13   14   15   15
CONECT   15   24
END