COMPND    HMDB0029864
HETATM    1  C1  UNL     1       4.314  -1.227  -1.265  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.234  -0.350  -0.711  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.558   0.873  -0.169  1.00  0.00           C  
HETATM    4  N1  UNL     1       2.598   1.671   0.332  1.00  0.00           N  
HETATM    5  C4  UNL     1       1.308   1.303   0.320  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.322   2.122   0.834  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.991   1.744   0.820  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.339   0.525   0.283  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.345  -0.280  -0.226  1.00  0.00           C  
HETATM   10  N2  UNL     1      -0.961  -1.400  -0.682  1.00  0.00           N  
HETATM   11  C9  UNL     1      -2.283  -1.289  -0.463  1.00  0.00           C  
HETATM   12  N3  UNL     1      -3.311  -2.235  -0.784  1.00  0.00           N  
HETATM   13  N4  UNL     1      -2.536  -0.112   0.130  1.00  0.00           N  
HETATM   14  C10 UNL     1      -3.814   0.437   0.553  1.00  0.00           C  
HETATM   15  C11 UNL     1       0.990   0.061  -0.232  1.00  0.00           C  
HETATM   16  N5  UNL     1       1.942  -0.746  -0.737  1.00  0.00           N  
HETATM   17  H1  UNL     1       4.552  -2.029  -0.507  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.214  -0.608  -1.431  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.022  -1.695  -2.216  1.00  0.00           H  
HETATM   20  H4  UNL     1       4.589   1.201  -0.142  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.599   3.087   1.259  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.799   2.348   1.209  1.00  0.00           H  
HETATM   23  H7  UNL     1      -4.182  -1.849  -1.208  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.191  -3.251  -0.604  1.00  0.00           H  
HETATM   25  H9  UNL     1      -3.705   1.487   0.822  1.00  0.00           H  
HETATM   26  H10 UNL     1      -4.531   0.397  -0.304  1.00  0.00           H  
HETATM   27  H11 UNL     1      -4.253  -0.186   1.369  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   16
CONECT    3    4   20
CONECT    4    5    5
CONECT    5    6   15
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   13
CONECT    9   10   15
CONECT   10   11   11
CONECT   11   12   13
CONECT   12   23   24
CONECT   13   14
CONECT   14   25   26   27
CONECT   15   16   16
END