COMPND    HMDB0247090
HETATM    1  C1  UNL     1       3.635  -0.088   0.097  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.178  -0.413  -0.001  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.749  -1.705  -0.216  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.437  -1.987  -0.302  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.513  -1.035  -0.185  1.00  0.00           C  
HETATM    6  N2  UNL     1      -1.824  -1.312  -0.270  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.788  -0.365  -0.154  1.00  0.00           C  
HETATM    8  N3  UNL     1      -4.159  -0.685  -0.248  1.00  0.00           N  
HETATM    9  N4  UNL     1      -2.371   0.914   0.059  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.065   1.222   0.149  1.00  0.00           C  
HETATM   11  N5  UNL     1      -0.644   2.558   0.370  1.00  0.00           N  
HETATM   12  C7  UNL     1      -0.083   0.258   0.030  1.00  0.00           C  
HETATM   13  N6  UNL     1       1.229   0.536   0.116  1.00  0.00           N  
HETATM   14  H1  UNL     1       4.061  -0.599   1.002  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.184  -0.330  -0.815  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.723   0.996   0.302  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.517  -2.487  -0.313  1.00  0.00           H  
HETATM   18  H5  UNL     1      -4.638  -0.666  -1.160  1.00  0.00           H  
HETATM   19  H6  UNL     1      -4.682  -0.940   0.602  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.948   3.369  -0.218  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.001   2.755   1.154  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3   13
CONECT    3    4   17
CONECT    4    5    5
CONECT    5    6   12
CONECT    6    7    7
CONECT    7    8    9
CONECT    8   18   19
CONECT    9   10   10
CONECT   10   11   12
CONECT   11   20   21
CONECT   12   13   13
END