COMPND    HMDB0014548
HETATM    1  C1  UNL     1       4.054  -0.321  -1.017  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.320   0.891  -0.633  1.00  0.00           C  
HETATM    3  N1  UNL     1       3.614   2.198  -0.928  1.00  0.00           N  
HETATM    4  N2  UNL     1       2.641   3.000  -0.446  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.735   2.265   0.146  1.00  0.00           C  
HETATM    6  N3  UNL     1       2.176   0.973   0.021  1.00  0.00           N  
HETATM    7  C4  UNL     1       1.506  -0.185   0.557  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.381  -1.114   1.033  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.780  -2.231   1.630  1.00  0.00           C  
HETATM   10  C7  UNL     1       0.389  -2.348   1.718  1.00  0.00           C  
HETATM   11 CL1  UNL     1      -0.372  -3.751   2.463  1.00  0.00          CL  
HETATM   12  C8  UNL     1      -0.455  -1.382   1.227  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.110  -0.288   0.635  1.00  0.00           C  
HETATM   14  C10 UNL     1      -0.864   0.672   0.154  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.097   0.171  -0.407  1.00  0.00           C  
HETATM   16  C12 UNL     1      -2.433  -1.095  -0.716  1.00  0.00           C  
HETATM   17  C13 UNL     1      -3.681  -1.433  -1.158  1.00  0.00           C  
HETATM   18  C14 UNL     1      -4.675  -0.496  -1.318  1.00  0.00           C  
HETATM   19  C15 UNL     1      -4.381   0.831  -1.015  1.00  0.00           C  
HETATM   20  C16 UNL     1      -3.125   1.127  -0.576  1.00  0.00           C  
HETATM   21  N4  UNL     1      -0.668   1.965   0.235  1.00  0.00           N  
HETATM   22  C17 UNL     1       0.486   2.713   0.773  1.00  0.00           C  
HETATM   23  H1  UNL     1       5.025  -0.486  -0.557  1.00  0.00           H  
HETATM   24  H2  UNL     1       3.434  -1.221  -1.218  1.00  0.00           H  
HETATM   25  H3  UNL     1       4.373  -0.089  -2.101  1.00  0.00           H  
HETATM   26  H4  UNL     1       3.425  -0.959   1.004  1.00  0.00           H  
HETATM   27  H5  UNL     1       2.411  -2.992   2.017  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.540  -1.416   1.344  1.00  0.00           H  
HETATM   29  H7  UNL     1      -1.706  -1.888  -0.691  1.00  0.00           H  
HETATM   30  H8  UNL     1      -3.945  -2.472  -1.405  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.670  -0.709  -1.661  1.00  0.00           H  
HETATM   32  H10 UNL     1      -5.149   1.596  -1.134  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.925   2.185  -0.346  1.00  0.00           H  
HETATM   34  H12 UNL     1       0.550   2.528   1.862  1.00  0.00           H  
HETATM   35  H13 UNL     1       0.276   3.759   0.512  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3    3    6
CONECT    3    4
CONECT    4    5    5
CONECT    5    6   22
CONECT    6    7
CONECT    7    8    8   13
CONECT    8    9   26
CONECT    9   10   10   27
CONECT   10   11   12
CONECT   12   13   13   28
CONECT   13   14
CONECT   14   15   21   21
CONECT   15   16   16   20
CONECT   16   17   29
CONECT   17   18   18   30
CONECT   18   19   31
CONECT   19   20   20   32
CONECT   20   33
CONECT   21   22
CONECT   22   34   35
END