COMPND    HMDB0033240
HETATM    1  O1  UNL     1       1.553   1.197  -4.901  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.074   0.926  -3.757  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.296   0.987  -3.564  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.843   0.691  -2.308  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.125   0.748  -2.111  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.827   0.459  -0.867  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.586   1.450  -0.232  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.307   1.180   0.908  1.00  0.00           C  
HETATM    9  C7  UNL     1      -4.329  -0.070   1.493  1.00  0.00           C  
HETATM   10  O3  UNL     1      -5.064  -0.322   2.646  1.00  0.00           O  
HETATM   11  C8  UNL     1      -3.588  -1.052   0.879  1.00  0.00           C  
HETATM   12  O4  UNL     1      -3.602  -2.320   1.462  1.00  0.00           O  
HETATM   13  C9  UNL     1      -2.859  -0.784  -0.271  1.00  0.00           C  
HETATM   14  C10 UNL     1       0.050   0.324  -1.217  1.00  0.00           C  
HETATM   15  O5  UNL     1      -0.363   0.051  -0.063  1.00  0.00           O  
HETATM   16  C11 UNL     1       1.506   0.261  -1.431  1.00  0.00           C  
HETATM   17  C12 UNL     1       2.368  -0.103  -0.312  1.00  0.00           C  
HETATM   18  C13 UNL     1       3.556   0.564  -0.125  1.00  0.00           C  
HETATM   19  C14 UNL     1       4.403   0.233   0.931  1.00  0.00           C  
HETATM   20  C15 UNL     1       4.085  -0.770   1.825  1.00  0.00           C  
HETATM   21  O6  UNL     1       4.920  -1.117   2.890  1.00  0.00           O  
HETATM   22  C16 UNL     1       2.887  -1.427   1.619  1.00  0.00           C  
HETATM   23  C17 UNL     1       2.040  -1.116   0.586  1.00  0.00           C  
HETATM   24  C18 UNL     1       1.949   0.551  -2.639  1.00  0.00           C  
HETATM   25  O7  UNL     1       3.301   0.506  -2.892  1.00  0.00           O  
HETATM   26  H1  UNL     1      -2.723   1.049  -2.995  1.00  0.00           H  
HETATM   27  H2  UNL     1      -3.599   2.444  -0.656  1.00  0.00           H  
HETATM   28  H3  UNL     1      -4.906   1.954   1.412  1.00  0.00           H  
HETATM   29  H4  UNL     1      -5.609   0.402   3.095  1.00  0.00           H  
HETATM   30  H5  UNL     1      -3.048  -3.047   1.001  1.00  0.00           H  
HETATM   31  H6  UNL     1      -2.305  -1.601  -0.733  1.00  0.00           H  
HETATM   32  H7  UNL     1       3.821   1.353  -0.810  1.00  0.00           H  
HETATM   33  H8  UNL     1       5.319   0.778   1.039  1.00  0.00           H  
HETATM   34  H9  UNL     1       5.637  -1.837   2.757  1.00  0.00           H  
HETATM   35  H10 UNL     1       2.643  -2.223   2.334  1.00  0.00           H  
HETATM   36  H11 UNL     1       1.115  -1.661   0.467  1.00  0.00           H  
HETATM   37  H12 UNL     1       3.752   1.342  -3.287  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   24
CONECT    3    4
CONECT    4    5    5   14
CONECT    5    6   26
CONECT    6    7    7   13
CONECT    7    8   27
CONECT    8    9    9   28
CONECT    9   10   11
CONECT   10   29
CONECT   11   12   13   13
CONECT   12   30
CONECT   13   31
CONECT   14   15   15   16
CONECT   16   17   24   24
CONECT   17   18   18   23
CONECT   18   19   32
CONECT   19   20   20   33
CONECT   20   21   22
CONECT   21   34
CONECT   22   23   23   35
CONECT   23   36
CONECT   24   25
CONECT   25   37
END