COMPND    HMDB0006468
HETATM    1  N1  UNL     1       3.576  -1.209   0.020  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.804  -0.242  -0.351  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.362   0.804  -1.130  1.00  0.00           N  
HETATM    4  N3  UNL     1       1.431  -0.158  -0.028  1.00  0.00           N  
HETATM    5  C2  UNL     1       0.519  -0.943  -0.826  1.00  0.00           C  
HETATM    6  C3  UNL     1      -0.893  -0.541  -0.611  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.786  -0.830  -1.640  1.00  0.00           C  
HETATM    8  C5  UNL     1      -3.104  -0.461  -1.456  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.514   0.176  -0.283  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.614   0.452   0.720  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.290   0.086   0.547  1.00  0.00           C  
HETATM   12  C9  UNL     1      -0.311   0.375   1.619  1.00  0.00           C  
HETATM   13  O1  UNL     1      -0.734   1.459   2.386  1.00  0.00           O  
HETATM   14  C10 UNL     1       1.053   0.696   1.063  1.00  0.00           C  
HETATM   15  H1  UNL     1       3.169  -1.984   0.597  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.853   0.539  -2.011  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.323   1.813  -0.896  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.759  -0.738  -1.890  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.657  -2.022  -0.631  1.00  0.00           H  
HETATM   20  H6  UNL     1      -1.442  -1.329  -2.547  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.848  -0.655  -2.214  1.00  0.00           H  
HETATM   22  H8  UNL     1      -4.551   0.463  -0.148  1.00  0.00           H  
HETATM   23  H9  UNL     1      -2.897   0.949   1.653  1.00  0.00           H  
HETATM   24  H10 UNL     1      -0.240  -0.516   2.282  1.00  0.00           H  
HETATM   25  H11 UNL     1      -0.185   1.525   3.206  1.00  0.00           H  
HETATM   26  H12 UNL     1       1.074   1.740   0.706  1.00  0.00           H  
HETATM   27  H13 UNL     1       1.828   0.551   1.863  1.00  0.00           H  
CONECT    1    2    2   15
CONECT    2    3    4
CONECT    3   16   17
CONECT    4    5   14
CONECT    5    6   18   19
CONECT    6    7    7   11
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   10   22
CONECT   10   11   11   23
CONECT   11   12
CONECT   12   13   14   24
CONECT   13   25
CONECT   14   26   27
END