COMPND    HMDB0015563
HETATM    1  C1  UNL     1       3.621   1.919  -0.360  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.702   1.236   0.028  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.590   0.423   0.520  1.00  0.00           C  
HETATM    4  N1  UNL     1       1.315  -0.578  -0.485  1.00  0.00           N  
HETATM    5  C4  UNL     1       2.392  -1.529  -0.587  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.072  -1.276  -0.241  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.114  -0.440  -0.231  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.216   0.644  -1.066  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.351   1.440  -1.047  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.392   1.161  -0.196  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.297   0.083   0.639  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.162  -0.708   0.616  1.00  0.00           C  
HETATM   13  H1  UNL     1       4.447   2.524  -0.688  1.00  0.00           H  
HETATM   14  H2  UNL     1       0.715   1.117   0.587  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.853  -0.028   1.511  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.186  -2.332   0.179  1.00  0.00           H  
HETATM   17  H5  UNL     1       3.395  -1.080  -0.462  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.312  -1.970  -1.626  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.219  -1.837   0.727  1.00  0.00           H  
HETATM   20  H8  UNL     1       0.003  -2.077  -1.024  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.394   0.890  -1.758  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.381   2.282  -1.723  1.00  0.00           H  
HETATM   23  H11 UNL     1      -4.263   1.822  -0.223  1.00  0.00           H  
HETATM   24  H12 UNL     1      -4.110  -0.142   1.311  1.00  0.00           H  
HETATM   25  H13 UNL     1      -2.144  -1.541   1.294  1.00  0.00           H  
CONECT    1    2    2    2   13
CONECT    2    3
CONECT    3    4   14   15
CONECT    4    5    6
CONECT    5   16   17   18
CONECT    6    7   19   20
CONECT    7    8    8   12
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   23
CONECT   11   12   12   24
CONECT   12   25
END