COMPND    HMDB0252881
HETATM    1  N1  UNL     1       3.847   1.949   0.749  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.421   1.788   0.932  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.994   0.516   0.295  1.00  0.00           C  
HETATM    4  O1  UNL     1       2.838  -0.214  -0.280  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.649   0.074   0.304  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.291  -1.164  -0.327  1.00  0.00           C  
HETATM    7  C4  UNL     1      -0.604  -0.892  -1.516  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.856  -0.200  -1.135  1.00  0.00           C  
HETATM    9  C6  UNL     1      -3.030  -0.825  -0.780  1.00  0.00           C  
HETATM   10  N3  UNL     1      -3.939   0.125  -0.503  1.00  0.00           N  
HETATM   11  C7  UNL     1      -3.377   1.332  -0.672  1.00  0.00           C  
HETATM   12  N4  UNL     1      -2.114   1.114  -1.055  1.00  0.00           N  
HETATM   13  C8  UNL     1      -0.258  -2.164   0.586  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.384  -1.911   1.798  1.00  0.00           O  
HETATM   15  O3  UNL     1      -0.644  -3.397   0.118  1.00  0.00           O  
HETATM   16  H1  UNL     1       4.085   2.973   0.637  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.120   1.401  -0.095  1.00  0.00           H  
HETATM   18  H3  UNL     1       1.892   2.668   0.541  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.165   1.719   2.017  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.042   0.697   0.790  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.226  -1.605  -0.756  1.00  0.00           H  
HETATM   22  H7  UNL     1       0.010  -0.290  -2.234  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.821  -1.852  -2.049  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.212  -1.905  -0.726  1.00  0.00           H  
HETATM   25  H10 UNL     1      -3.876   2.302  -0.519  1.00  0.00           H  
HETATM   26  H11 UNL     1      -1.440   1.885  -1.259  1.00  0.00           H  
HETATM   27  H12 UNL     1       0.060  -4.124   0.077  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3   18   19
CONECT    3    4    4    5
CONECT    5    6   20
CONECT    6    7   13   21
CONECT    7    8   22   23
CONECT    8    9    9   12
CONECT    9   10   24
CONECT   10   11   11
CONECT   11   12   25
CONECT   12   26
CONECT   13   14   14   15
CONECT   15   27
END