COMPND    HMDB0248231
HETATM    1  C1  UNL     1      -3.130  -1.371  -0.261  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.888  -0.465  -0.286  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.224  -0.648  -1.532  1.00  0.00           N  
HETATM    4  C3  UNL     1      -1.054  -0.682   0.936  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.158   0.126   1.010  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.356   1.273   1.718  1.00  0.00           C  
HETATM    7  N2  UNL     1       1.606   1.717   1.500  1.00  0.00           N  
HETATM    8  C6  UNL     1       2.260   0.898   0.659  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.527   0.870   0.112  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.930  -0.131  -0.743  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.059  -1.145  -1.075  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.780  -1.111  -0.519  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.354  -0.119   0.338  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.458   0.922  -0.147  1.00  0.00           C  
HETATM   15  O1  UNL     1      -3.049   1.146   0.953  1.00  0.00           O  
HETATM   16  O2  UNL     1      -2.369   1.892  -1.101  1.00  0.00           O  
HETATM   17  H1  UNL     1      -3.701  -1.272  -1.185  1.00  0.00           H  
HETATM   18  H2  UNL     1      -2.743  -2.416  -0.191  1.00  0.00           H  
HETATM   19  H3  UNL     1      -3.743  -1.156   0.635  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.941  -0.768  -2.279  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.558   0.134  -1.737  1.00  0.00           H  
HETATM   22  H6  UNL     1      -0.805  -1.783   0.956  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.624  -0.526   1.879  1.00  0.00           H  
HETATM   24  H8  UNL     1      -0.341   1.795   2.372  1.00  0.00           H  
HETATM   25  H9  UNL     1       2.074   2.579   1.899  1.00  0.00           H  
HETATM   26  H10 UNL     1       4.221   1.662   0.366  1.00  0.00           H  
HETATM   27  H11 UNL     1       4.936  -0.148  -1.173  1.00  0.00           H  
HETATM   28  H12 UNL     1       3.344  -1.948  -1.745  1.00  0.00           H  
HETATM   29  H13 UNL     1       1.101  -1.917  -0.780  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.079   2.595  -1.256  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    4   14
CONECT    3   20   21
CONECT    4    5   22   23
CONECT    5    6    6   13
CONECT    6    7   24
CONECT    7    8   25
CONECT    8    9    9   13
CONECT    9   10   26
CONECT   10   11   11   27
CONECT   11   12   28
CONECT   12   13   13   29
CONECT   14   15   15   16
CONECT   16   30
END