COMPND    HMDB0244053
HETATM    1  C1  UNL     1       3.289   1.136  -0.073  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.379   2.136  -0.302  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.073   1.832  -0.249  1.00  0.00           N  
HETATM    4  C3  UNL     1       0.616   0.598   0.017  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.499  -0.426   0.251  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.848  -0.144   0.203  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.002  -1.675   0.520  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.357  -1.929   0.562  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.252  -0.918   0.330  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.614  -1.130   0.363  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.506  -0.105   0.128  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.969   1.156  -0.143  1.00  0.00           C  
HETATM   13  N2  UNL     1      -1.635   1.335  -0.169  1.00  0.00           N  
HETATM   14  C12 UNL     1      -0.760   0.340   0.059  1.00  0.00           C  
HETATM   15  H1  UNL     1       4.356   1.350  -0.109  1.00  0.00           H  
HETATM   16  H2  UNL     1       2.705   3.149  -0.522  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.549  -0.948   0.387  1.00  0.00           H  
HETATM   18  H4  UNL     1       1.742  -2.461   0.701  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.702  -2.930   0.778  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.023  -2.109   0.573  1.00  0.00           H  
HETATM   21  H7  UNL     1      -4.582  -0.229   0.144  1.00  0.00           H  
HETATM   22  H8  UNL     1      -3.655   1.974  -0.330  1.00  0.00           H  
CONECT    1    2    2    6   15
CONECT    2    3   16
CONECT    3    4    4
CONECT    4    5   14
CONECT    5    6    6    7
CONECT    6   17
CONECT    7    8    8   18
CONECT    8    9   19
CONECT    9   10   10   14
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   13   22
CONECT   13   14   14
END