COMPND    HMDB0028887
HETATM    1  N1  UNL     1       2.163  -1.397  -1.594  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.073  -1.762  -0.192  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.992  -0.923   0.649  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.729   0.524   0.597  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.252   1.468  -0.287  1.00  0.00           C  
HETATM    6  N2  UNL     1       2.739   2.659   0.056  1.00  0.00           N  
HETATM    7  C5  UNL     1       1.932   2.488   1.100  1.00  0.00           C  
HETATM    8  N3  UNL     1       1.921   1.196   1.432  1.00  0.00           N  
HETATM    9  C6  UNL     1       0.682  -1.749   0.309  1.00  0.00           C  
HETATM   10  O1  UNL     1       0.515  -1.913   1.542  1.00  0.00           O  
HETATM   11  N4  UNL     1      -0.434  -1.565  -0.539  1.00  0.00           N  
HETATM   12  C7  UNL     1      -1.756  -1.567   0.012  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.682  -0.536  -0.523  1.00  0.00           C  
HETATM   14  C9  UNL     1      -2.282   0.856  -0.345  1.00  0.00           C  
HETATM   15  C10 UNL     1      -3.095   1.897  -0.818  1.00  0.00           C  
HETATM   16  N5  UNL     1      -2.491   3.046  -0.522  1.00  0.00           N  
HETATM   17  C11 UNL     1      -1.338   2.790   0.114  1.00  0.00           C  
HETATM   18  N6  UNL     1      -1.230   1.457   0.211  1.00  0.00           N  
HETATM   19  C12 UNL     1      -2.355  -2.897  -0.366  1.00  0.00           C  
HETATM   20  O2  UNL     1      -1.720  -3.735  -1.027  1.00  0.00           O  
HETATM   21  O3  UNL     1      -3.641  -3.172   0.041  1.00  0.00           O  
HETATM   22  H1  UNL     1       1.582  -0.523  -1.750  1.00  0.00           H  
HETATM   23  H2  UNL     1       3.190  -1.175  -1.760  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.457  -2.832  -0.102  1.00  0.00           H  
HETATM   25  H4  UNL     1       2.969  -1.237   1.724  1.00  0.00           H  
HETATM   26  H5  UNL     1       4.063  -1.058   0.336  1.00  0.00           H  
HETATM   27  H6  UNL     1       3.937   1.252  -1.083  1.00  0.00           H  
HETATM   28  H7  UNL     1       2.955   3.571  -0.438  1.00  0.00           H  
HETATM   29  H8  UNL     1       1.387   3.310   1.578  1.00  0.00           H  
HETATM   30  H9  UNL     1      -0.239  -1.430  -1.562  1.00  0.00           H  
HETATM   31  H10 UNL     1      -1.688  -1.567   1.136  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.671  -0.668   0.006  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.924  -0.743  -1.591  1.00  0.00           H  
HETATM   34  H13 UNL     1      -4.052   1.810  -1.337  1.00  0.00           H  
HETATM   35  H14 UNL     1      -2.888   3.991  -0.766  1.00  0.00           H  
HETATM   36  H15 UNL     1      -0.689   3.590   0.445  1.00  0.00           H  
HETATM   37  H16 UNL     1      -4.366  -3.455  -0.603  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3    9   24
CONECT    3    4   25   26
CONECT    4    5    5    8
CONECT    5    6   27
CONECT    6    7   28
CONECT    7    8    8   29
CONECT    9   10   10   11
CONECT   11   12   30
CONECT   12   13   19   31
CONECT   13   14   32   33
CONECT   14   15   15   18
CONECT   15   16   34
CONECT   16   17   35
CONECT   17   18   18   36
CONECT   19   20   20   21
CONECT   21   37
END