COMPND    HMDB0014714
HETATM    1 CL1  UNL     1       2.396  -2.503   1.512  1.00  0.00          CL  
HETATM    2  C1  UNL     1       2.423  -1.029   0.539  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.638  -0.485   0.178  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.679   0.662  -0.578  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.474   1.216  -0.942  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.243   0.665  -0.577  1.00  0.00           C  
HETATM    7 CL2  UNL     1      -0.250   1.427  -1.078  1.00  0.00          CL  
HETATM    8  C6  UNL     1       1.204  -0.478   0.177  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.003  -1.093   0.584  1.00  0.00           N  
HETATM   10  C7  UNL     1      -1.288  -0.597   0.259  1.00  0.00           C  
HETATM   11  N2  UNL     1      -2.011  -0.982  -0.734  1.00  0.00           N  
HETATM   12  C8  UNL     1      -3.276  -0.274  -0.786  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.317   0.602   0.436  1.00  0.00           C  
HETATM   14  N3  UNL     1      -1.986   0.409   0.985  1.00  0.00           N  
HETATM   15  H1  UNL     1       4.569  -0.958   0.490  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.634   1.091  -0.863  1.00  0.00           H  
HETATM   17  H3  UNL     1       2.488   2.114  -1.535  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.054  -1.981   1.170  1.00  0.00           H  
HETATM   19  H5  UNL     1      -4.084  -1.052  -0.783  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.377   0.366  -1.668  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.033   0.244   1.193  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.527   1.663   0.214  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.651   0.972   1.809  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3    8
CONECT    3    4   15
CONECT    4    5    5   16
CONECT    5    6   17
CONECT    6    7    8    8
CONECT    8    9
CONECT    9   10   18
CONECT   10   11   11   14
CONECT   11   12
CONECT   12   13   19   20
CONECT   13   14   21   22
CONECT   14   23
END