COMPND    HMDB0060559
HETATM    1  C1  UNL     1       4.902  -2.976   1.746  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.282  -1.567   1.642  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.065  -0.532   2.095  1.00  0.00           O  
HETATM    4  N1  UNL     1       3.183  -1.527   1.175  1.00  0.00           N  
HETATM    5  C3  UNL     1       2.112  -0.836   0.793  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.708  -0.766  -0.543  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.604  -0.083  -0.917  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.134   0.556   0.050  1.00  0.00           C  
HETATM    9  S1  UNL     1      -1.599   1.431  -0.418  1.00  0.00           S  
HETATM   10  C7  UNL     1      -2.997   0.251  -0.256  1.00  0.00           C  
HETATM   11  C8  UNL     1      -4.233   1.026  -0.687  1.00  0.00           C  
HETATM   12  N2  UNL     1      -4.008   1.449  -2.055  1.00  0.00           N  
HETATM   13  C9  UNL     1      -4.301   2.215   0.192  1.00  0.00           C  
HETATM   14  O2  UNL     1      -4.457   2.164   1.435  1.00  0.00           O  
HETATM   15  O3  UNL     1      -4.184   3.475  -0.393  1.00  0.00           O  
HETATM   16  C10 UNL     1       0.231   0.511   1.383  1.00  0.00           C  
HETATM   17  C11 UNL     1       1.339  -0.174   1.752  1.00  0.00           C  
HETATM   18  H1  UNL     1       5.429  -2.962   2.718  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.060  -3.671   1.789  1.00  0.00           H  
HETATM   20  H3  UNL     1       5.567  -3.073   0.876  1.00  0.00           H  
HETATM   21  H4  UNL     1       6.088  -0.598   2.067  1.00  0.00           H  
HETATM   22  H5  UNL     1       2.313  -1.294  -1.297  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.281  -0.025  -1.968  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.869  -0.620  -0.926  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.100  -0.046   0.823  1.00  0.00           H  
HETATM   26  H9  UNL     1      -5.144   0.385  -0.605  1.00  0.00           H  
HETATM   27  H10 UNL     1      -3.239   2.154  -2.120  1.00  0.00           H  
HETATM   28  H11 UNL     1      -3.739   0.649  -2.677  1.00  0.00           H  
HETATM   29  H12 UNL     1      -4.398   3.659  -1.378  1.00  0.00           H  
HETATM   30  H13 UNL     1      -0.376   1.029   2.145  1.00  0.00           H  
HETATM   31  H14 UNL     1       1.616  -0.205   2.804  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    4    4
CONECT    3   21
CONECT    4    5
CONECT    5    6    6   17
CONECT    6    7   22
CONECT    7    8    8   23
CONECT    8    9   16
CONECT    9   10
CONECT   10   11   24   25
CONECT   11   12   13   26
CONECT   12   27   28
CONECT   13   14   14   15
CONECT   15   29
CONECT   16   17   17   30
CONECT   17   31
END