COMPND    HMDB0032992
HETATM    1  C1  UNL     1       2.165  -0.861   2.471  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.508  -0.546   1.063  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.847  -0.961  -0.021  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.706  -1.768  -0.071  1.00  0.00           O  
HETATM    5  C4  UNL     1      -0.591  -1.257  -0.161  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.939  -0.434   0.910  1.00  0.00           O  
HETATM    7  C5  UNL     1      -2.330  -0.365   0.927  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.801   0.415   2.152  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.279   1.707   2.109  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.908   0.298  -0.284  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.978   1.698  -0.137  1.00  0.00           O  
HETATM   12  C8  UNL     1      -2.257  -0.093  -1.570  1.00  0.00           C  
HETATM   13  O5  UNL     1      -2.914  -1.188  -2.155  1.00  0.00           O  
HETATM   14  C9  UNL     1      -0.810  -0.467  -1.426  1.00  0.00           C  
HETATM   15  O6  UNL     1      -0.066   0.701  -1.422  1.00  0.00           O  
HETATM   16  C10 UNL     1       2.530  -0.417  -1.191  1.00  0.00           C  
HETATM   17  O7  UNL     1       2.473  -0.796  -2.390  1.00  0.00           O  
HETATM   18  C11 UNL     1       3.337   0.725  -0.632  1.00  0.00           C  
HETATM   19  C12 UNL     1       4.571   0.990  -1.422  1.00  0.00           C  
HETATM   20  O8  UNL     1       3.589   0.241   0.672  1.00  0.00           O  
HETATM   21  H1  UNL     1       3.091  -1.021   3.074  1.00  0.00           H  
HETATM   22  H2  UNL     1       1.629  -0.008   2.962  1.00  0.00           H  
HETATM   23  H3  UNL     1       1.565  -1.789   2.570  1.00  0.00           H  
HETATM   24  H4  UNL     1      -1.299  -2.097  -0.164  1.00  0.00           H  
HETATM   25  H5  UNL     1      -2.745  -1.392   0.991  1.00  0.00           H  
HETATM   26  H6  UNL     1      -3.904   0.498   2.071  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.543  -0.111   3.089  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.487   2.132   2.990  1.00  0.00           H  
HETATM   29  H9  UNL     1      -3.985  -0.033  -0.351  1.00  0.00           H  
HETATM   30  H10 UNL     1      -2.921   2.157  -1.021  1.00  0.00           H  
HETATM   31  H11 UNL     1      -2.389   0.757  -2.283  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.171  -1.782  -1.385  1.00  0.00           H  
HETATM   33  H13 UNL     1      -0.545  -1.102  -2.298  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.393   1.255  -2.183  1.00  0.00           H  
HETATM   35  H15 UNL     1       2.662   1.597  -0.557  1.00  0.00           H  
HETATM   36  H16 UNL     1       5.460   0.434  -1.067  1.00  0.00           H  
HETATM   37  H17 UNL     1       4.344   0.790  -2.498  1.00  0.00           H  
HETATM   38  H18 UNL     1       4.781   2.095  -1.363  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3    3   20
CONECT    3    4   16
CONECT    4    5
CONECT    5    6   14   24
CONECT    6    7
CONECT    7    8   10   25
CONECT    8    9   26   27
CONECT    9   28
CONECT   10   11   12   29
CONECT   11   30
CONECT   12   13   14   31
CONECT   13   32
CONECT   14   15   33
CONECT   15   34
CONECT   16   17   17   18
CONECT   18   19   20   35
CONECT   19   36   37   38
END