COMPND    HMDB0248272
HETATM    1  C1  UNL     1      -4.045  -0.440  -1.517  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.730   0.982  -1.170  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.556   1.749  -2.326  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.478   1.040  -0.365  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.488   0.302   0.914  1.00  0.00           C  
HETATM    6  O2  UNL     1      -3.323   0.062   1.800  1.00  0.00           O  
HETATM    7  N1  UNL     1      -1.107  -0.011   0.671  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.230  -0.299   0.913  1.00  0.00           C  
HETATM    9  C6  UNL     1       0.677  -0.891   2.196  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.178  -1.217   3.084  1.00  0.00           O  
HETATM   11  O4  UNL     1       1.981  -1.126   2.526  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.099   0.021  -0.013  1.00  0.00           C  
HETATM   13  C8  UNL     1       2.553  -0.142  -0.083  1.00  0.00           C  
HETATM   14  C9  UNL     1       3.388   0.924  -0.323  1.00  0.00           C  
HETATM   15  C10 UNL     1       4.752   0.788  -0.437  1.00  0.00           C  
HETATM   16  C11 UNL     1       5.322  -0.461  -0.308  1.00  0.00           C  
HETATM   17  N2  UNL     1       4.508  -1.508  -0.073  1.00  0.00           N  
HETATM   18  C12 UNL     1       3.149  -1.377   0.042  1.00  0.00           C  
HETATM   19  S1  UNL     1       0.116   0.759  -1.350  1.00  0.00           S  
HETATM   20  C13 UNL     1      -1.461   0.023  -0.742  1.00  0.00           C  
HETATM   21  H1  UNL     1      -3.793  -1.055  -0.619  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.397  -0.749  -2.354  1.00  0.00           H  
HETATM   23  H3  UNL     1      -5.115  -0.544  -1.795  1.00  0.00           H  
HETATM   24  H4  UNL     1      -4.554   1.419  -0.571  1.00  0.00           H  
HETATM   25  H5  UNL     1      -4.375   1.858  -2.836  1.00  0.00           H  
HETATM   26  H6  UNL     1      -2.010   2.049  -0.269  1.00  0.00           H  
HETATM   27  H7  UNL     1       2.295  -1.994   2.938  1.00  0.00           H  
HETATM   28  H8  UNL     1       2.954   1.931  -0.431  1.00  0.00           H  
HETATM   29  H9  UNL     1       5.410   1.645  -0.629  1.00  0.00           H  
HETATM   30  H10 UNL     1       6.401  -0.583  -0.396  1.00  0.00           H  
HETATM   31  H11 UNL     1       2.526  -2.242   0.208  1.00  0.00           H  
HETATM   32  H12 UNL     1      -1.750  -0.914  -1.187  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3    4   24
CONECT    3   25
CONECT    4    5   20   26
CONECT    5    6    6    7
CONECT    7    8   20
CONECT    8    9   12   12
CONECT    9   10   10   11
CONECT   11   27
CONECT   12   13   19
CONECT   13   14   14   18
CONECT   14   15   28
CONECT   15   16   16   29
CONECT   16   17   30
CONECT   17   18   18
CONECT   18   31
CONECT   19   20
CONECT   20   32
END