COMPND    HMDB0030400
HETATM    1  N1  UNL     1       3.053  -1.613   0.737  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.044  -0.783   0.056  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.000  -0.493   1.101  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.119   0.339   0.594  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.231   1.733   0.715  1.00  0.00           C  
HETATM    6  N2  UNL     1      -1.350   2.145   0.104  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.004   1.085  -0.429  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.202   1.008  -1.143  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.662  -0.216  -1.570  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.909  -1.326  -1.268  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.724  -1.230  -0.559  1.00  0.00           C  
HETATM   12 CL1  UNL     1      -0.792  -2.669  -0.152  1.00  0.00          CL  
HETATM   13  C10 UNL     1      -1.240  -0.025  -0.122  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.736   0.481  -0.309  1.00  0.00           C  
HETATM   15  O1  UNL     1       2.079   1.343  -0.941  1.00  0.00           O  
HETATM   16  O2  UNL     1       4.046   0.729   0.019  1.00  0.00           O  
HETATM   17  H1  UNL     1       4.011  -1.314   0.543  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.845  -2.616   0.682  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.688  -1.307  -0.822  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.527   0.093   1.907  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.641  -1.409   1.614  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.510   2.316   1.236  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.702   3.124   0.025  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.764   1.904  -1.359  1.00  0.00           H  
HETATM   25  H9  UNL     1      -4.596  -0.311  -2.131  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.250  -2.304  -1.594  1.00  0.00           H  
HETATM   27  H11 UNL     1       4.366   1.315   0.776  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3   14   19
CONECT    3    4   20   21
CONECT    4    5    5   13
CONECT    5    6   22
CONECT    6    7   23
CONECT    7    8    8   13
CONECT    8    9   24
CONECT    9   10   10   25
CONECT   10   11   26
CONECT   11   12   13   13
CONECT   14   15   15   16
CONECT   16   27
END