COMPND    HMDB0301847
HETATM    1  C1  UNL     1      -4.328   0.641   3.558  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.526  -0.012   2.322  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.434  -0.136   1.476  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.186   0.352   1.802  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.142   0.193   0.911  1.00  0.00           C  
HETATM    6  O2  UNL     1       0.132   0.560   0.974  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.754   0.192  -0.119  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.070   0.359  -0.489  1.00  0.00           C  
HETATM    9  O3  UNL     1       2.952   1.005   0.363  1.00  0.00           O  
HETATM   10  C7  UNL     1       3.078   2.422   0.227  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.474  -0.128  -1.710  1.00  0.00           C  
HETATM   12  O4  UNL     1       3.790   0.026  -2.104  1.00  0.00           O  
HETATM   13  C9  UNL     1       4.784  -0.945  -1.806  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.593  -0.771  -2.554  1.00  0.00           C  
HETATM   15  O5  UNL     1       1.965  -1.269  -3.780  1.00  0.00           O  
HETATM   16  C11 UNL     1       0.256  -0.942  -2.181  1.00  0.00           C  
HETATM   17  C12 UNL     1      -0.132  -0.449  -0.957  1.00  0.00           C  
HETATM   18  C13 UNL     1      -1.348  -0.446  -0.293  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.591  -0.942  -0.638  1.00  0.00           C  
HETATM   20  C15 UNL     1      -3.620  -0.773   0.265  1.00  0.00           C  
HETATM   21  O6  UNL     1      -4.900  -1.266  -0.055  1.00  0.00           O  
HETATM   22  H1  UNL     1      -5.257   0.646   4.170  1.00  0.00           H  
HETATM   23  H2  UNL     1      -3.973   1.692   3.417  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.568   0.046   4.112  1.00  0.00           H  
HETATM   25  H4  UNL     1      -2.042   0.851   2.751  1.00  0.00           H  
HETATM   26  H5  UNL     1       2.397   2.928   0.941  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.797   2.742  -0.806  1.00  0.00           H  
HETATM   28  H7  UNL     1       4.145   2.729   0.367  1.00  0.00           H  
HETATM   29  H8  UNL     1       4.393  -1.748  -1.165  1.00  0.00           H  
HETATM   30  H9  UNL     1       5.163  -1.342  -2.778  1.00  0.00           H  
HETATM   31  H10 UNL     1       5.634  -0.402  -1.301  1.00  0.00           H  
HETATM   32  H11 UNL     1       2.893  -1.212  -4.165  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.464  -1.432  -2.799  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.711  -1.438  -1.594  1.00  0.00           H  
HETATM   35  H14 UNL     1      -5.050  -1.735  -0.938  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4   20
CONECT    4    5   25
CONECT    5    6   18   18
CONECT    6    7
CONECT    7    8    8   17
CONECT    8    9   11
CONECT    9   10
CONECT   10   26   27   28
CONECT   11   12   14   14
CONECT   12   13
CONECT   13   29   30   31
CONECT   14   15   16
CONECT   15   32
CONECT   16   17   17   33
CONECT   17   18
CONECT   18   19
CONECT   19   20   20   34
CONECT   20   21
CONECT   21   35
END