COMPND    HMDB0015534
HETATM    1  O1  UNL     1      -1.699  -4.248   0.855  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.574  -3.114   0.319  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.697  -3.004  -0.909  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.392  -2.067  -0.647  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.367  -0.827  -0.197  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.642  -0.199  -0.052  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.898   1.004   0.521  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.154   1.601   0.556  1.00  0.00           C  
HETATM    9  C7  UNL     1       4.234   0.966  -0.012  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.016  -0.256  -0.601  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.769  -0.824  -0.624  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.881  -0.128   0.049  1.00  0.00           C  
HETATM   13  C11 UNL     1      -0.766   1.188  -0.315  1.00  0.00           C  
HETATM   14  C12 UNL     1      -1.852   2.003  -0.087  1.00  0.00           C  
HETATM   15  N2  UNL     1      -1.779   3.373  -0.436  1.00  0.00           N1+
HETATM   16  O2  UNL     1      -0.750   3.827  -0.946  1.00  0.00           O  
HETATM   17  O3  UNL     1      -2.863   4.170  -0.196  1.00  0.00           O1-
HETATM   18  C13 UNL     1      -3.011   1.474   0.490  1.00  0.00           C  
HETATM   19  C14 UNL     1      -3.141   0.148   0.855  1.00  0.00           C  
HETATM   20  C15 UNL     1      -2.048  -0.651   0.622  1.00  0.00           C  
HETATM   21  N3  UNL     1      -2.286  -2.022   0.932  1.00  0.00           N  
HETATM   22  H1  UNL     1      -0.221  -3.970  -1.105  1.00  0.00           H  
HETATM   23  H2  UNL     1      -1.265  -2.645  -1.784  1.00  0.00           H  
HETATM   24  H3  UNL     1       1.125   1.548   1.052  1.00  0.00           H  
HETATM   25  H4  UNL     1       3.321   2.564   1.021  1.00  0.00           H  
HETATM   26  H5  UNL     1       5.236   1.425   0.006  1.00  0.00           H  
HETATM   27  H6  UNL     1       4.876  -0.764  -1.053  1.00  0.00           H  
HETATM   28  H7  UNL     1       2.592  -1.784  -1.085  1.00  0.00           H  
HETATM   29  H8  UNL     1       0.134   1.546  -0.819  1.00  0.00           H  
HETATM   30  H9  UNL     1      -3.862   2.151   0.661  1.00  0.00           H  
HETATM   31  H10 UNL     1      -4.043  -0.252   1.302  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.015  -2.235   1.627  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4   22   23
CONECT    4    5    5
CONECT    5    6   12
CONECT    6    7    7   11
CONECT    7    8   24
CONECT    8    9    9   25
CONECT    9   10   26
CONECT   10   11   11   27
CONECT   11   28
CONECT   12   13   13   20
CONECT   13   14   29
CONECT   14   15   18   18
CONECT   15   16   16   17
CONECT   18   19   30
CONECT   19   20   20   31
CONECT   20   21
CONECT   21   32
END