COMPND    HMDB0245795
HETATM    1  C1  UNL     1      -3.392   1.030  -0.399  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.123   0.296  -0.216  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.167  -1.064   0.019  1.00  0.00           O  
HETATM    4  N1  UNL     1      -1.004   0.906  -0.275  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.247   0.287  -0.113  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.483  -0.944  -0.711  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.699  -1.587  -0.576  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.674  -0.953   0.180  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.439   0.263   0.770  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.456   0.853   1.519  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.241   0.910   0.646  1.00  0.00           C  
HETATM   12  H1  UNL     1      -3.783   0.914  -1.452  1.00  0.00           H  
HETATM   13  H2  UNL     1      -4.117   0.594   0.335  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.283   2.101  -0.128  1.00  0.00           H  
HETATM   15  H4  UNL     1      -2.726  -1.496   0.751  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.269  -1.452  -1.305  1.00  0.00           H  
HETATM   17  H6  UNL     1       1.880  -2.543  -1.041  1.00  0.00           H  
HETATM   18  H7  UNL     1       3.637  -1.440   0.300  1.00  0.00           H  
HETATM   19  H8  UNL     1       4.088   1.470   0.985  1.00  0.00           H  
HETATM   20  H9  UNL     1       1.019   1.855   1.088  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4    4
CONECT    3   15
CONECT    4    5
CONECT    5    6    6   11
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9   18
CONECT    9   10   11   11
CONECT   10   19
CONECT   11   20
END