COMPND    HMDB0253519
HETATM    1  C1  UNL     1      -3.782  -0.091   0.049  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.374   0.248   0.472  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.993   1.013   1.554  1.00  0.00           C  
HETATM    4  I1  UNL     1      -3.337   1.899   2.886  1.00  0.00           I  
HETATM    5  C4  UNL     1      -0.615   1.042   1.532  1.00  0.00           C  
HETATM    6  O1  UNL     1       0.073   1.647   2.370  1.00  0.00           O  
HETATM    7  N1  UNL     1      -0.169   0.326   0.484  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.199   0.132   0.144  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.038   1.190  -0.188  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.352   1.028  -0.517  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.911  -0.223  -0.534  1.00  0.00           C  
HETATM   12  C9  UNL     1       3.090  -1.297  -0.206  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.760  -1.136   0.128  1.00  0.00           C  
HETATM   14  N2  UNL     1      -1.239  -0.136  -0.131  1.00  0.00           N  
HETATM   15  C11 UNL     1      -1.183  -0.964  -1.322  1.00  0.00           C  
HETATM   16  H1  UNL     1      -4.471   0.623   0.521  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.808   0.146  -1.052  1.00  0.00           H  
HETATM   18  H3  UNL     1      -4.020  -1.149   0.244  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.574   2.171  -0.168  1.00  0.00           H  
HETATM   20  H5  UNL     1       3.979   1.870  -0.771  1.00  0.00           H  
HETATM   21  H6  UNL     1       4.957  -0.385  -0.793  1.00  0.00           H  
HETATM   22  H7  UNL     1       3.504  -2.297  -0.211  1.00  0.00           H  
HETATM   23  H8  UNL     1       1.115  -1.980   0.386  1.00  0.00           H  
HETATM   24  H9  UNL     1      -2.017  -0.762  -2.023  1.00  0.00           H  
HETATM   25  H10 UNL     1      -1.305  -2.026  -0.993  1.00  0.00           H  
HETATM   26  H11 UNL     1      -0.239  -0.885  -1.864  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3    3   14
CONECT    3    4    5
CONECT    5    6    6    7
CONECT    7    8   14
CONECT    8    9    9   13
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   13   22
CONECT   13   23
CONECT   14   15
CONECT   15   24   25   26
END