COMPND    HMDB0254835
HETATM    1  O1  UNL     1       3.259   1.379   1.308  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.932   0.329   0.684  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.836  -0.555   0.101  1.00  0.00           C  
HETATM    4  N1  UNL     1       5.243  -0.487   0.074  1.00  0.00           N  
HETATM    5  C3  UNL     1       5.984   0.008  -0.919  1.00  0.00           C  
HETATM    6  C4  UNL     1       7.306  -0.115  -0.546  1.00  0.00           C  
HETATM    7  N2  UNL     1       7.319  -0.677   0.654  1.00  0.00           N  
HETATM    8  N3  UNL     1       6.065  -0.894   1.011  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.029  -1.543  -0.461  1.00  0.00           C  
HETATM   10  N4  UNL     1       1.740  -1.256  -0.223  1.00  0.00           N  
HETATM   11  N5  UNL     1       1.687  -0.124   0.470  1.00  0.00           N  
HETATM   12  C6  UNL     1       0.465   0.469   0.891  1.00  0.00           C  
HETATM   13  C7  UNL     1      -0.736   0.238   0.211  1.00  0.00           C  
HETATM   14  C8  UNL     1      -1.911   0.813   0.621  1.00  0.00           C  
HETATM   15  N6  UNL     1      -3.142   0.601  -0.045  1.00  0.00           N  
HETATM   16  C9  UNL     1      -4.376   1.211   0.455  1.00  0.00           C  
HETATM   17  C10 UNL     1      -5.420   0.115   0.385  1.00  0.00           C  
HETATM   18  O2  UNL     1      -4.859  -1.155   0.343  1.00  0.00           O  
HETATM   19  C11 UNL     1      -4.128  -1.413  -0.799  1.00  0.00           C  
HETATM   20  C12 UNL     1      -3.306  -0.203  -1.233  1.00  0.00           C  
HETATM   21  N7  UNL     1      -1.884   1.621   1.717  1.00  0.00           N  
HETATM   22  C13 UNL     1      -0.743   1.856   2.384  1.00  0.00           C  
HETATM   23  N8  UNL     1       0.391   1.280   1.959  1.00  0.00           N  
HETATM   24  H1  UNL     1       5.693   0.441  -1.867  1.00  0.00           H  
HETATM   25  H2  UNL     1       8.190   0.183  -1.109  1.00  0.00           H  
HETATM   26  H3  UNL     1       3.414  -2.396  -1.000  1.00  0.00           H  
HETATM   27  H4  UNL     1       0.932  -1.842  -0.540  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.705  -0.404  -0.643  1.00  0.00           H  
HETATM   29  H6  UNL     1      -4.250   1.617   1.464  1.00  0.00           H  
HETATM   30  H7  UNL     1      -4.655   1.992  -0.282  1.00  0.00           H  
HETATM   31  H8  UNL     1      -5.995   0.172   1.333  1.00  0.00           H  
HETATM   32  H9  UNL     1      -6.135   0.292  -0.425  1.00  0.00           H  
HETATM   33  H10 UNL     1      -3.375  -2.199  -0.536  1.00  0.00           H  
HETATM   34  H11 UNL     1      -4.716  -1.745  -1.657  1.00  0.00           H  
HETATM   35  H12 UNL     1      -2.390  -0.520  -1.723  1.00  0.00           H  
HETATM   36  H13 UNL     1      -3.960   0.400  -1.935  1.00  0.00           H  
HETATM   37  H14 UNL     1      -0.801   2.510   3.246  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4    9    9
CONECT    4    5    8
CONECT    5    6    6   24
CONECT    6    7   25
CONECT    7    8    8
CONECT    9   10   26
CONECT   10   11   27
CONECT   11   12
CONECT   12   13   13   23
CONECT   13   14   28
CONECT   14   15   21   21
CONECT   15   16   20
CONECT   16   17   29   30
CONECT   17   18   31   32
CONECT   18   19
CONECT   19   20   33   34
CONECT   20   35   36
CONECT   21   22
CONECT   22   23   23   37
END