COMPND    HMDB0094724
HETATM    1  O1  UNL     1       2.309   2.185  -0.008  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.183   1.382   0.406  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.013   1.775   1.435  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.306   0.048  -0.206  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.346  -0.166  -1.264  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.173  -0.585  -0.953  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.866  -0.818   0.369  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.121  -0.829  -2.006  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.060   0.052  -1.723  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.028  -0.171  -2.691  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.627  -0.102  -0.386  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.334   0.838   0.581  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.818   0.777   1.863  1.00  0.00           C  
HETATM   14  C9  UNL     1      -2.644  -0.266   2.237  1.00  0.00           C  
HETATM   15  C10 UNL     1      -2.953  -1.221   1.287  1.00  0.00           C  
HETATM   16  C11 UNL     1      -2.453  -1.141  -0.002  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.519   1.122   2.013  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.211  -0.715   0.609  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.331  -0.123  -0.636  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.267  -0.338   1.154  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.121  -1.888  -2.110  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.574  -0.492  -2.961  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.729   1.116  -1.861  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.808  -0.570  -2.243  1.00  0.00           H  
HETATM   25  H9  UNL     1      -0.686   1.683   0.340  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.594   1.513   2.630  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.043  -0.337   3.253  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.609  -2.056   1.573  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.712  -1.893  -0.700  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5   18   19
CONECT    5    6    6
CONECT    6    7    8
CONECT    7   20
CONECT    8    9   21   22
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   12   16
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15   27
CONECT   15   16   16   28
CONECT   16   29
END