COMPND    HMDB0015377
HETATM    1  C1  UNL     1       6.529   0.265   0.413  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.126   0.246  -0.100  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.004  -0.220   0.584  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.903  -0.060  -0.245  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.515  -0.417   0.081  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.262  -0.883   1.231  1.00  0.00           O  
HETATM    7  N1  UNL     1       0.464  -0.252  -0.855  1.00  0.00           N  
HETATM    8  N2  UNL     1      -0.832  -0.603  -0.473  1.00  0.00           N  
HETATM    9  C6  UNL     1      -1.662   0.594  -0.687  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.006   0.233  -0.214  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.281   0.377   1.123  1.00  0.00           C  
HETATM   12  C9  UNL     1      -4.520   0.055   1.601  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.474  -0.412   0.720  1.00  0.00           C  
HETATM   14  C11 UNL     1      -5.235  -0.569  -0.628  1.00  0.00           C  
HETATM   15  C12 UNL     1      -3.959  -0.230  -1.079  1.00  0.00           C  
HETATM   16  N3  UNL     1       3.389   0.483  -1.369  1.00  0.00           N  
HETATM   17  O2  UNL     1       4.670   0.654  -1.273  1.00  0.00           O  
HETATM   18  H1  UNL     1       6.606   0.856   1.335  1.00  0.00           H  
HETATM   19  H2  UNL     1       7.167   0.657  -0.405  1.00  0.00           H  
HETATM   20  H3  UNL     1       6.892  -0.757   0.636  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.992  -0.634   1.584  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.639   0.116  -1.820  1.00  0.00           H  
HETATM   23  H6  UNL     1      -0.869  -0.828   0.525  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.225   1.445  -0.117  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.633   0.914  -1.752  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.512   0.751   1.819  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.691   0.184   2.658  1.00  0.00           H  
HETATM   28  H11 UNL     1      -6.463  -0.668   1.107  1.00  0.00           H  
HETATM   29  H12 UNL     1      -6.017  -0.940  -1.274  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.782  -0.357  -2.136  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3   17
CONECT    3    4   21
CONECT    4    5   16   16
CONECT    5    6    6    7
CONECT    7    8   22
CONECT    8    9   23
CONECT    9   10   24   25
CONECT   10   11   11   15
CONECT   11   12   26
CONECT   12   13   13   27
CONECT   13   14   28
CONECT   14   15   15   29
CONECT   15   30
CONECT   16   17
END