COMPND    HMDB0247356
HETATM    1  N1  UNL     1       3.752   1.419  -1.665  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.852   0.565  -0.959  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.820  -0.053  -1.637  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.941  -0.886  -0.952  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.121  -1.079   0.402  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.215  -1.940   1.167  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.744  -2.963   1.725  1.00  0.00           O  
HETATM    8  N2  UNL     1      -1.163  -1.707   1.315  1.00  0.00           N  
HETATM    9  C6  UNL     1      -1.895  -0.621   0.790  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.273  -0.517   0.998  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.968   0.556   0.483  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.325   1.533  -0.235  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.947   1.409  -0.431  1.00  0.00           C  
HETATM   14  N3  UNL     1      -1.332   0.357   0.086  1.00  0.00           N  
HETATM   15  C11 UNL     1       2.166  -0.455   1.091  1.00  0.00           C  
HETATM   16  C12 UNL     1       3.027   0.367   0.397  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.155   2.267  -1.207  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.024   1.214  -2.648  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.682   0.105  -2.715  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.120  -1.384  -1.496  1.00  0.00           H  
HETATM   21  H5  UNL     1      -1.721  -2.405   1.893  1.00  0.00           H  
HETATM   22  H6  UNL     1      -3.797  -1.268   1.555  1.00  0.00           H  
HETATM   23  H7  UNL     1      -5.050   0.664   0.631  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.867   2.369  -0.635  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.442   2.188  -1.002  1.00  0.00           H  
HETATM   26  H10 UNL     1       2.306  -0.607   2.153  1.00  0.00           H  
HETATM   27  H11 UNL     1       3.855   0.873   0.897  1.00  0.00           H  
CONECT    1    2   17   18
CONECT    2    3    3   16
CONECT    3    4   19
CONECT    4    5    5   20
CONECT    5    6   15
CONECT    6    7    7    8
CONECT    8    9   21
CONECT    9   10   10   14
CONECT   10   11   22
CONECT   11   12   12   23
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   15   16   16   26
CONECT   16   27
END