COMPND    HMDB0031821
HETATM    1  C1  UNL     1      -4.105   0.700   1.166  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.774   0.343  -0.122  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.558  -0.223  -0.445  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.600  -0.459   0.542  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.281  -1.067   0.224  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.356  -2.275  -0.683  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.613  -1.616  -1.674  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.401  -0.331  -0.936  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.618   0.400  -0.529  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.804   1.737  -0.814  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.952   2.428  -0.430  1.00  0.00           C  
HETATM   12  C12 UNL     1       3.943   1.767   0.258  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.754   0.422   0.543  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.615  -0.257   0.161  1.00  0.00           C  
HETATM   15  C15 UNL     1      -1.932  -0.101   1.832  1.00  0.00           C  
HETATM   16  C16 UNL     1      -3.159   0.470   2.154  1.00  0.00           C  
HETATM   17  H1  UNL     1      -5.054   1.144   1.434  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.506   0.520  -0.892  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.277  -0.512  -1.450  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.338  -1.177   1.112  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.347  -2.464  -1.113  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.110  -3.198  -0.291  1.00  0.00           H  
HETATM   23  H7  UNL     1       0.259  -1.650  -2.721  1.00  0.00           H  
HETATM   24  H8  UNL     1       1.645  -2.020  -1.620  1.00  0.00           H  
HETATM   25  H9  UNL     1      -0.322   0.310  -1.483  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.996   2.234  -1.363  1.00  0.00           H  
HETATM   27  H11 UNL     1       3.015   3.486  -0.698  1.00  0.00           H  
HETATM   28  H12 UNL     1       4.825   2.311   0.549  1.00  0.00           H  
HETATM   29  H13 UNL     1       4.524  -0.102   1.081  1.00  0.00           H  
HETATM   30  H14 UNL     1       2.494  -1.309   0.398  1.00  0.00           H  
HETATM   31  H15 UNL     1      -1.218  -0.264   2.639  1.00  0.00           H  
HETATM   32  H16 UNL     1      -3.414   0.749   3.171  1.00  0.00           H  
CONECT    1    2    2   16   17
CONECT    2    3   18
CONECT    3    4    4   19
CONECT    4    5   15
CONECT    5    6    8   20
CONECT    6    7   21   22
CONECT    7    8   23   24
CONECT    8    9   25
CONECT    9   10   10   14
CONECT   10   11   26
CONECT   11   12   12   27
CONECT   12   13   28
CONECT   13   14   14   29
CONECT   14   30
CONECT   15   16   16   31
CONECT   16   32
END