COMPND    HMDB0060761
HETATM    1  N1  UNL     1      -2.893   1.237  -0.003  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.551   0.768   0.130  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.523   1.615   0.560  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.770   1.168   0.689  1.00  0.00           C  
HETATM    5 CL1  UNL     1       2.052   2.228   1.226  1.00  0.00          CL  
HETATM    6  C4  UNL     1       1.071  -0.138   0.393  1.00  0.00           C  
HETATM    7  S1  UNL     1       2.701  -0.750   0.543  1.00  0.00           S  
HETATM    8  N2  UNL     1       3.789   0.135  -0.497  1.00  0.00           N  
HETATM    9  O1  UNL     1       2.779  -2.185   0.103  1.00  0.00           O  
HETATM   10  O2  UNL     1       3.204  -0.644   1.962  1.00  0.00           O  
HETATM   11  C5  UNL     1       0.089  -0.984  -0.028  1.00  0.00           C  
HETATM   12  C6  UNL     1      -1.207  -0.530  -0.156  1.00  0.00           C  
HETATM   13  C7  UNL     1      -2.241  -1.474  -0.614  1.00  0.00           C  
HETATM   14  O3  UNL     1      -1.966  -2.653  -0.881  1.00  0.00           O  
HETATM   15  O4  UNL     1      -3.551  -1.052  -0.753  1.00  0.00           O  
HETATM   16  H1  UNL     1      -3.219   1.793  -0.837  1.00  0.00           H  
HETATM   17  H2  UNL     1      -3.631   1.053   0.725  1.00  0.00           H  
HETATM   18  H3  UNL     1      -0.787   2.631   0.785  1.00  0.00           H  
HETATM   19  H4  UNL     1       4.094   0.991   0.022  1.00  0.00           H  
HETATM   20  H5  UNL     1       4.659  -0.472  -0.549  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.301  -2.024  -0.269  1.00  0.00           H  
HETATM   22  H7  UNL     1      -3.941  -0.713  -1.635  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3    3   12
CONECT    3    4   18
CONECT    4    5    6    6
CONECT    6    7   11
CONECT    7    8    9    9   10
CONECT    7   10
CONECT    8   19   20
CONECT   11   12   12   21
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   22
END