COMPND    HMDB0304448
HETATM    1  O1  UNL     1       1.162  -1.402   0.113  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.619  -0.470   0.671  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.188   0.788   1.008  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.327   1.310   0.831  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.569   0.949   0.233  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.733   1.705   0.544  1.00  0.00           C  
HETATM    7  C6  UNL     1       5.943   1.456  -0.037  1.00  0.00           C  
HETATM    8  C7  UNL     1       6.120   0.459  -0.961  1.00  0.00           C  
HETATM    9  O2  UNL     1       7.369   0.246  -1.521  1.00  0.00           O  
HETATM   10  C8  UNL     1       5.026  -0.291  -1.288  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.782  -0.036  -0.694  1.00  0.00           C  
HETATM   12  N1  UNL     1      -0.775  -0.690   1.026  1.00  0.00           N  
HETATM   13  C10 UNL     1      -1.371  -1.948   0.697  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.799  -2.062   1.105  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.659  -1.041   0.460  1.00  0.00           C  
HETATM   16  C13 UNL     1      -3.968   0.181   1.011  1.00  0.00           C  
HETATM   17  C14 UNL     1      -4.780   1.104   0.342  1.00  0.00           C  
HETATM   18  C15 UNL     1      -5.305   0.828  -0.900  1.00  0.00           C  
HETATM   19  O3  UNL     1      -6.116   1.748  -1.570  1.00  0.00           O  
HETATM   20  C16 UNL     1      -5.004  -0.393  -1.466  1.00  0.00           C  
HETATM   21  C17 UNL     1      -4.204  -1.299  -0.804  1.00  0.00           C  
HETATM   22  H1  UNL     1       0.433   1.506   1.579  1.00  0.00           H  
HETATM   23  H2  UNL     1       2.356   2.392   1.267  1.00  0.00           H  
HETATM   24  H3  UNL     1       4.596   2.493   1.280  1.00  0.00           H  
HETATM   25  H4  UNL     1       6.816   2.051   0.220  1.00  0.00           H  
HETATM   26  H5  UNL     1       7.677   0.717  -2.380  1.00  0.00           H  
HETATM   27  H6  UNL     1       5.155  -1.078  -2.015  1.00  0.00           H  
HETATM   28  H7  UNL     1       2.976  -0.642  -1.041  1.00  0.00           H  
HETATM   29  H8  UNL     1      -1.298   0.059   1.503  1.00  0.00           H  
HETATM   30  H9  UNL     1      -1.340  -2.101  -0.423  1.00  0.00           H  
HETATM   31  H10 UNL     1      -0.732  -2.736   1.175  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.226  -3.052   0.884  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.826  -1.931   2.228  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.573   0.420   1.993  1.00  0.00           H  
HETATM   35  H14 UNL     1      -4.982   2.049   0.840  1.00  0.00           H  
HETATM   36  H15 UNL     1      -6.510   1.577  -2.469  1.00  0.00           H  
HETATM   37  H16 UNL     1      -5.419  -0.602  -2.439  1.00  0.00           H  
HETATM   38  H17 UNL     1      -3.961  -2.264  -1.241  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   22
CONECT    4    5   23
CONECT    5    6    6   11
CONECT    6    7   24
CONECT    7    8    8   25
CONECT    8    9   10
CONECT    9   26
CONECT   10   11   11   27
CONECT   11   28
CONECT   12   13   29
CONECT   13   14   30   31
CONECT   14   15   32   33
CONECT   15   16   16   21
CONECT   16   17   34
CONECT   17   18   18   35
CONECT   18   19   20
CONECT   19   36
CONECT   20   21   21   37
CONECT   21   38
END