COMPND    HMDB0002377
HETATM    1  C1  UNL     1      -2.044  -3.271  -0.314  1.00  0.00           C  
HETATM    2  S1  UNL     1      -1.965  -2.056   1.026  1.00  0.00           S  
HETATM    3  C2  UNL     1      -1.324  -0.460   0.393  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.215   0.474  -0.038  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.718   0.386  -0.088  1.00  0.00           C  
HETATM    6  O1  UNL     1      -3.973  -0.308  -1.301  1.00  0.00           O  
HETATM    7  C5  UNL     1      -4.297   1.775  -0.276  1.00  0.00           C  
HETATM    8  O2  UNL     1      -4.123   2.561   0.862  1.00  0.00           O  
HETATM    9  S2  UNL     1      -1.222   1.764  -0.550  1.00  0.00           S  
HETATM   10  C6  UNL     1       0.301   1.087  -0.204  1.00  0.00           C  
HETATM   11  N1  UNL     1       1.584   1.537  -0.360  1.00  0.00           N  
HETATM   12  C7  UNL     1       2.625   0.756  -0.002  1.00  0.00           C  
HETATM   13  N2  UNL     1       3.889   1.147  -0.145  1.00  0.00           N  
HETATM   14  C8  UNL     1       4.927   0.364   0.203  1.00  0.00           C  
HETATM   15  N3  UNL     1       6.254   0.815   0.025  1.00  0.00           N  
HETATM   16  N4  UNL     1       4.631  -0.849   0.712  1.00  0.00           N  
HETATM   17  C9  UNL     1       3.382  -1.286   0.875  1.00  0.00           C  
HETATM   18  O3  UNL     1       3.151  -2.421   1.350  1.00  0.00           O  
HETATM   19  C10 UNL     1       2.308  -0.467   0.508  1.00  0.00           C  
HETATM   20  N5  UNL     1       1.066  -0.926   0.670  1.00  0.00           N  
HETATM   21  C11 UNL     1      -0.005  -0.134   0.304  1.00  0.00           C  
HETATM   22  H1  UNL     1      -3.055  -3.583  -0.590  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.518  -4.193   0.088  1.00  0.00           H  
HETATM   24  H3  UNL     1      -1.481  -2.960  -1.223  1.00  0.00           H  
HETATM   25  H4  UNL     1      -4.055  -0.133   0.787  1.00  0.00           H  
HETATM   26  H5  UNL     1      -3.869   0.343  -2.063  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.731   2.280  -1.104  1.00  0.00           H  
HETATM   28  H7  UNL     1      -5.348   1.670  -0.554  1.00  0.00           H  
HETATM   29  H8  UNL     1      -3.785   2.048   1.638  1.00  0.00           H  
HETATM   30  H9  UNL     1       4.090   2.087  -0.539  1.00  0.00           H  
HETATM   31  H10 UNL     1       6.498   1.826   0.048  1.00  0.00           H  
HETATM   32  H11 UNL     1       7.019   0.127  -0.138  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5    9
CONECT    5    6    7   25
CONECT    6   26
CONECT    7    8   27   28
CONECT    8   29
CONECT    9   10
CONECT   10   11   11   21
CONECT   11   12
CONECT   12   13   19   19
CONECT   13   14   30
CONECT   14   15   16   16
CONECT   15   31   32
CONECT   16   17
CONECT   17   18   18   19
CONECT   19   20
CONECT   20   21   21
END