COMPND    HMDB0000860
HETATM    1  O1  UNL     1       3.617   0.446   1.382  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.392   0.559   0.422  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.735   0.314   0.594  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.890   0.955  -0.908  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.460   1.151  -0.832  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.618   0.093  -0.450  1.00  0.00           C  
HETATM    7  O3  UNL     1       2.083  -1.024  -0.173  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.166   0.303  -0.375  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.547  -0.961   0.054  1.00  0.00           C  
HETATM   10  C6  UNL     1      -2.017  -0.759   0.133  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.589  -0.335   1.319  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.950  -0.127   1.461  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.742  -0.362   0.350  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.180  -0.785  -0.838  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.823  -0.989  -0.968  1.00  0.00           C  
HETATM   16  H1  UNL     1       6.297   1.099   0.959  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.393   1.886  -1.285  1.00  0.00           H  
HETATM   18  H3  UNL     1       4.152   0.175  -1.684  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.072   2.104  -1.069  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.180   0.572  -1.402  1.00  0.00           H  
HETATM   21  H6  UNL     1      -0.016   1.142   0.329  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.111  -1.315   0.997  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.381  -1.714  -0.754  1.00  0.00           H  
HETATM   24  H9  UNL     1      -1.962  -0.153   2.184  1.00  0.00           H  
HETATM   25  H10 UNL     1      -4.381   0.208   2.408  1.00  0.00           H  
HETATM   26  H11 UNL     1      -5.812  -0.199   0.460  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.819  -0.962  -1.693  1.00  0.00           H  
HETATM   28  H13 UNL     1      -2.367  -1.320  -1.892  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   16
CONECT    4    5   17   18
CONECT    5    6   19
CONECT    6    7    7    8
CONECT    8    9   20   21
CONECT    9   10   22   23
CONECT   10   11   11   15
CONECT   11   12   24
CONECT   12   13   13   25
CONECT   13   14   26
CONECT   14   15   15   27
CONECT   15   28
END