COMPND    HMDB0000877
HETATM    1  N1  UNL     1       5.578   0.252  -0.471  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.251   0.031  -0.011  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.244   0.108  -0.904  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.968  -0.092  -0.519  1.00  0.00           C  
HETATM    5  N3  UNL     1       0.931  -0.030  -1.353  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.330  -0.242  -0.902  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.632  -0.527   0.396  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.981  -0.762   0.924  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.129  -0.046   2.131  1.00  0.00           O  
HETATM   10  C6  UNL     1      -3.111  -0.428   0.021  1.00  0.00           C  
HETATM   11  O2  UNL     1      -3.042  -1.108  -1.159  1.00  0.00           O  
HETATM   12  C7  UNL     1      -3.241   1.073  -0.118  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.309   1.676   1.160  1.00  0.00           O  
HETATM   14  N4  UNL     1       0.432  -0.593   1.259  1.00  0.00           N  
HETATM   15  C8  UNL     1       1.695  -0.392   0.868  1.00  0.00           C  
HETATM   16  C9  UNL     1       2.768  -0.457   1.732  1.00  0.00           C  
HETATM   17  O4  UNL     1       2.530  -0.718   2.939  1.00  0.00           O  
HETATM   18  N5  UNL     1       4.017  -0.244   1.272  1.00  0.00           N  
HETATM   19  H1  UNL     1       5.939  -0.411  -1.192  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.184   1.018  -0.131  1.00  0.00           H  
HETATM   21  H3  UNL     1       1.104   0.182  -2.344  1.00  0.00           H  
HETATM   22  H4  UNL     1      -1.087  -0.167  -1.656  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.055  -1.842   1.232  1.00  0.00           H  
HETATM   24  H6  UNL     1      -1.436   0.685   2.156  1.00  0.00           H  
HETATM   25  H7  UNL     1      -4.073  -0.781   0.519  1.00  0.00           H  
HETATM   26  H8  UNL     1      -3.482  -0.677  -1.927  1.00  0.00           H  
HETATM   27  H9  UNL     1      -2.341   1.525  -0.578  1.00  0.00           H  
HETATM   28  H10 UNL     1      -4.176   1.328  -0.658  1.00  0.00           H  
HETATM   29  H11 UNL     1      -4.219   1.641   1.530  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   18   18
CONECT    3    4    4
CONECT    4    5   15
CONECT    5    6   21
CONECT    6    7    7   22
CONECT    7    8   14
CONECT    8    9   10   23
CONECT    9   24
CONECT   10   11   12   25
CONECT   11   26
CONECT   12   13   27   28
CONECT   13   29
CONECT   14   15   15
CONECT   15   16
CONECT   16   17   17   18
END