COMPND    HMDB0040335
HETATM    1  C1  UNL     1       3.939  -0.644   0.703  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.766   0.186   0.220  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.209   0.918  -1.022  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.631  -0.772  -0.054  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.389  -0.099  -0.542  1.00  0.00           C  
HETATM    6  S1  UNL     1      -0.870  -1.371  -0.823  1.00  0.00           S  
HETATM    7  C6  UNL     1      -2.509  -0.793  -0.328  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.404  -2.029  -0.212  1.00  0.00           C  
HETATM    9  N1  UNL     1      -2.544  -0.093   0.876  1.00  0.00           N  
HETATM   10  C8  UNL     1      -1.888   1.146   0.969  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.606   2.138   0.046  1.00  0.00           C  
HETATM   12  S2  UNL     1      -0.132   1.133   0.653  1.00  0.00           S  
HETATM   13  H1  UNL     1       4.898  -0.314   0.229  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.816  -1.706   0.406  1.00  0.00           H  
HETATM   15  H3  UNL     1       4.046  -0.540   1.796  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.498   0.903   1.006  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.922   0.301  -1.892  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.795   1.947  -1.087  1.00  0.00           H  
HETATM   19  H7  UNL     1       4.315   1.040  -0.995  1.00  0.00           H  
HETATM   20  H8  UNL     1       1.955  -1.488  -0.849  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.422  -1.301   0.900  1.00  0.00           H  
HETATM   22  H10 UNL     1       0.587   0.392  -1.525  1.00  0.00           H  
HETATM   23  H11 UNL     1      -2.923  -0.225  -1.210  1.00  0.00           H  
HETATM   24  H12 UNL     1      -3.293  -2.433   0.807  1.00  0.00           H  
HETATM   25  H13 UNL     1      -3.172  -2.773  -1.004  1.00  0.00           H  
HETATM   26  H14 UNL     1      -4.445  -1.650  -0.294  1.00  0.00           H  
HETATM   27  H15 UNL     1      -2.900  -0.529   1.710  1.00  0.00           H  
HETATM   28  H16 UNL     1      -2.048   1.557   2.002  1.00  0.00           H  
HETATM   29  H17 UNL     1      -3.696   1.872   0.003  1.00  0.00           H  
HETATM   30  H18 UNL     1      -2.226   2.074  -0.973  1.00  0.00           H  
HETATM   31  H19 UNL     1      -2.529   3.155   0.486  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    4   16
CONECT    3   17   18   19
CONECT    4    5   20   21
CONECT    5    6   12   22
CONECT    6    7
CONECT    7    8    9   23
CONECT    8   24   25   26
CONECT    9   10   27
CONECT   10   11   12   28
CONECT   11   29   30   31
END