COMPND    HMDB0247292
HETATM    1 CL1  UNL     1       4.161   1.233  -0.659  1.00  0.00          CL  
HETATM    2  C1  UNL     1       2.611   0.484  -0.312  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.553  -0.855  -0.007  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.340  -1.430   0.261  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.183  -0.688   0.231  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.231   0.648  -0.072  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.460   1.215  -0.341  1.00  0.00           C  
HETATM    8 CL2  UNL     1       1.520   2.930  -0.730  1.00  0.00          CL  
HETATM    9  C7  UNL     1      -0.992   1.506  -0.120  1.00  0.00           C  
HETATM   10  N1  UNL     1      -2.088   0.767   0.428  1.00  0.00           N  
HETATM   11  C8  UNL     1      -2.195  -0.554  -0.122  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.092  -1.394   0.536  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.450  -1.484   0.028  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.329  -2.507   0.503  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.164   1.728  -1.194  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.841   2.424   0.489  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.968   1.286   0.492  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.898  -0.515  -1.210  1.00  0.00           H  
HETATM   19  H7  UNL     1      -3.177  -1.016  -0.032  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.101  -2.431   0.192  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.322  -1.346   1.639  1.00  0.00           H  
CONECT    1    2
CONECT    2    3    3    7
CONECT    3    4   13
CONECT    4    5    5   14
CONECT    5    6   12
CONECT    6    7    7    9
CONECT    7    8
CONECT    9   10   15   16
CONECT   10   11   17
CONECT   11   12   18   19
CONECT   12   20   21
END