COMPND    HMDB0041940
HETATM    1  O1  UNL     1      -0.765   2.936   1.468  1.00  0.00           O  
HETATM    2  N1  UNL     1      -0.967   1.730   1.776  1.00  0.00           N  
HETATM    3  N2  UNL     1      -1.225   0.761   0.802  1.00  0.00           N  
HETATM    4  C1  UNL     1      -2.217   0.862  -0.247  1.00  0.00           C  
HETATM    5  C2  UNL     1      -2.450  -0.561  -0.732  1.00  0.00           C  
HETATM    6  C3  UNL     1      -1.242  -1.348  -0.269  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.510  -0.497   0.720  1.00  0.00           C  
HETATM    8  C5  UNL     1       0.911  -0.301   0.352  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.269   0.557  -0.664  1.00  0.00           C  
HETATM   10  C7  UNL     1       2.608   0.699  -0.961  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.535  -0.022  -0.231  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.182  -0.869   0.771  1.00  0.00           N  
HETATM   13  C9  UNL     1       1.878  -1.014   1.068  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.184   1.226   0.194  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.889   1.465  -1.106  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.574  -0.607  -1.830  1.00  0.00           H  
HETATM   17  H4  UNL     1      -3.361  -1.011  -0.283  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.545  -2.336   0.134  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.541  -1.559  -1.113  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.610  -0.979   1.715  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.515   1.095  -1.201  1.00  0.00           H  
HETATM   22  H9  UNL     1       2.961   1.354  -1.744  1.00  0.00           H  
HETATM   23  H10 UNL     1       4.586   0.114  -0.493  1.00  0.00           H  
HETATM   24  H11 UNL     1       1.635  -1.695   1.871  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3
CONECT    3    4    7
CONECT    4    5   14   15
CONECT    5    6   16   17
CONECT    6    7   18   19
CONECT    7    8   20
CONECT    8    9    9   13
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   12   23
CONECT   12   13   13
CONECT   13   24
END