COMPND    HMDB0247644
HETATM    1  N1  UNL     1       6.116   1.447   2.185  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.356   1.014   1.446  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.393   0.489   0.521  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.774  -0.102  -0.664  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.819  -0.591  -1.520  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.460  -0.493  -1.198  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.066   0.096  -0.015  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.643   0.211   0.347  1.00  0.00           C  
HETATM    9  N2  UNL     1      -0.425  -0.191  -0.328  1.00  0.00           N  
HETATM   10  C8  UNL     1      -1.514   0.118   0.378  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.916  -0.113   0.067  1.00  0.00           C  
HETATM   12  C10 UNL     1      -3.952   0.259   0.891  1.00  0.00           C  
HETATM   13  C11 UNL     1      -5.277   0.009   0.536  1.00  0.00           C  
HETATM   14  C12 UNL     1      -5.559  -0.617  -0.652  1.00  0.00           C  
HETATM   15  N3  UNL     1      -4.542  -0.978  -1.452  1.00  0.00           N  
HETATM   16  C13 UNL     1      -3.238  -0.739  -1.116  1.00  0.00           C  
HETATM   17  N4  UNL     1      -1.090   0.719   1.503  1.00  0.00           N  
HETATM   18  O1  UNL     1       0.202   0.757   1.450  1.00  0.00           O  
HETATM   19  C14 UNL     1       3.038   0.571   0.812  1.00  0.00           C  
HETATM   20  H1  UNL     1       5.836  -0.192  -0.943  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.133  -1.050  -2.442  1.00  0.00           H  
HETATM   22  H3  UNL     1       1.721  -0.886  -1.887  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.726   0.758   1.837  1.00  0.00           H  
HETATM   24  H5  UNL     1      -6.042   0.319   1.213  1.00  0.00           H  
HETATM   25  H6  UNL     1      -6.606  -0.814  -0.933  1.00  0.00           H  
HETATM   26  H7  UNL     1      -2.444  -1.044  -1.786  1.00  0.00           H  
HETATM   27  H8  UNL     1       2.774   1.042   1.752  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4   19
CONECT    4    5   20
CONECT    5    6    6   21
CONECT    6    7   22
CONECT    7    8   19   19
CONECT    8    9    9   18
CONECT    9   10
CONECT   10   11   17   17
CONECT   11   12   12   16
CONECT   12   13   23
CONECT   13   14   14   24
CONECT   14   15   25
CONECT   15   16   16
CONECT   16   26
CONECT   17   18
CONECT   19   27
END