COMPND    HMDB0060779
HETATM    1  C1  UNL     1      -1.229  -2.799  -0.710  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.699  -1.493  -0.393  1.00  0.00           N  
HETATM    3  C2  UNL     1      -0.812  -0.451  -0.057  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.627  -0.736  -0.038  1.00  0.00           C  
HETATM    5  O1  UNL     1       1.139  -1.993  -0.339  1.00  0.00           O  
HETATM    6  N2  UNL     1       1.488   0.176   0.262  1.00  0.00           N  
HETATM    7  C4  UNL     1       2.905  -0.081   0.287  1.00  0.00           C  
HETATM    8  N3  UNL     1       3.534  -1.185   0.669  1.00  0.00           N  
HETATM    9  C5  UNL     1       4.824  -1.240   0.625  1.00  0.00           C  
HETATM   10  C6  UNL     1       5.495  -0.131   0.177  1.00  0.00           C  
HETATM   11  C7  UNL     1       6.949   0.051   0.036  1.00  0.00           C  
HETATM   12  O2  UNL     1       7.752  -0.859   0.337  1.00  0.00           O  
HETATM   13  O3  UNL     1       7.390   1.268  -0.441  1.00  0.00           O  
HETATM   14  S1  UNL     1       4.207   0.938  -0.159  1.00  0.00           S  
HETATM   15  C8  UNL     1      -1.184   0.780   0.246  1.00  0.00           C  
HETATM   16  O4  UNL     1      -0.195   1.735   0.566  1.00  0.00           O  
HETATM   17  C9  UNL     1      -2.551   1.226   0.274  1.00  0.00           C  
HETATM   18  C10 UNL     1      -2.829   2.562   0.612  1.00  0.00           C  
HETATM   19  C11 UNL     1      -4.098   3.074   0.664  1.00  0.00           C  
HETATM   20  C12 UNL     1      -5.175   2.259   0.375  1.00  0.00           C  
HETATM   21  C13 UNL     1      -4.907   0.929   0.039  1.00  0.00           C  
HETATM   22  C14 UNL     1      -3.647   0.453  -0.004  1.00  0.00           C  
HETATM   23  S2  UNL     1      -3.398  -1.211  -0.431  1.00  0.00           S  
HETATM   24  O5  UNL     1      -3.998  -2.059   0.675  1.00  0.00           O  
HETATM   25  O6  UNL     1      -3.994  -1.556  -1.760  1.00  0.00           O  
HETATM   26  H1  UNL     1      -0.594  -2.837  -1.643  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.072  -3.507  -0.960  1.00  0.00           H  
HETATM   28  H3  UNL     1      -0.713  -3.317   0.143  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.890  -2.128  -1.004  1.00  0.00           H  
HETATM   30  H5  UNL     1       5.392  -2.144   0.935  1.00  0.00           H  
HETATM   31  H6  UNL     1       7.629   2.041   0.186  1.00  0.00           H  
HETATM   32  H7  UNL     1       0.094   1.916   1.510  1.00  0.00           H  
HETATM   33  H8  UNL     1      -2.023   3.256   0.850  1.00  0.00           H  
HETATM   34  H9  UNL     1      -4.268   4.109   0.928  1.00  0.00           H  
HETATM   35  H10 UNL     1      -6.161   2.664   0.418  1.00  0.00           H  
HETATM   36  H11 UNL     1      -5.769   0.291  -0.188  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3   23
CONECT    3    4   15   15
CONECT    4    5    6    6
CONECT    5   29
CONECT    6    7
CONECT    7    8    8   14
CONECT    8    9
CONECT    9   10   10   30
CONECT   10   11   14
CONECT   11   12   12   13
CONECT   13   31
CONECT   15   16   17
CONECT   16   32
CONECT   17   18   18   22
CONECT   18   19   33
CONECT   19   20   20   34
CONECT   20   21   35
CONECT   21   22   22   36
CONECT   22   23
CONECT   23   24   24   25   25
END