COMPND    HMDB0247721
HETATM    1  C1  UNL     1       3.242   1.108  -0.666  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.554   1.105   0.685  1.00  0.00           C  
HETATM    3  N1  UNL     1       2.744   0.457   1.537  1.00  0.00           N  
HETATM    4  C3  UNL     1       1.637  -0.189   1.118  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.246  -0.237  -0.223  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.192  -0.851  -0.618  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.870  -1.470  -1.017  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.150  -0.893  -0.404  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.100  -0.538   1.037  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.026   0.922   0.636  1.00  0.00           C  
HETATM   11  N2  UNL     1      -2.334   0.509  -0.723  1.00  0.00           N  
HETATM   12  C9  UNL     1       2.117   0.452  -1.093  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.910   1.638  -1.334  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.443   1.626   1.003  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.019  -0.703   1.851  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.912  -2.601  -0.889  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.033  -1.355  -2.151  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.057  -1.505  -0.645  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.301  -0.927   1.660  1.00  0.00           H  
HETATM   20  H8  UNL     1      -3.066  -0.682   1.600  1.00  0.00           H  
HETATM   21  H9  UNL     1      -2.824   1.577   1.042  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.037   1.337   0.820  1.00  0.00           H  
HETATM   23  H11 UNL     1      -3.244   0.782  -1.103  1.00  0.00           H  
HETATM   24  H12 UNL     1       1.849   0.437  -2.125  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4    4
CONECT    4    5   15
CONECT    5    6   12   12
CONECT    6    7
CONECT    7    8   16   17
CONECT    8    9   11   18
CONECT    9   10   19   20
CONECT   10   11   21   22
CONECT   11   23
CONECT   12   24
END