COMPND    HMDB0040823
HETATM    1  C1  UNL     1       3.920  -0.103   0.593  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.493  -0.001   0.191  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.106   0.737  -0.890  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.762   0.797  -1.220  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.203   0.135  -0.488  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.252  -0.596   0.598  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.572  -0.680   0.955  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.755  -1.298   1.375  1.00  0.00           C  
HETATM    9  O1  UNL     1      -0.441  -1.792   2.487  1.00  0.00           O  
HETATM   10  C9  UNL     1      -2.124  -1.446   0.897  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.598  -0.399  -0.038  1.00  0.00           C  
HETATM   12  C11 UNL     1      -1.595   0.246  -0.894  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.949   1.737  -1.001  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.997   0.219   1.647  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.509   0.557  -0.044  1.00  0.00           H  
HETATM   16  H3  UNL     1       4.271  -1.139   0.444  1.00  0.00           H  
HETATM   17  H4  UNL     1       2.871   1.252  -1.458  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.512   1.395  -2.085  1.00  0.00           H  
HETATM   19  H6  UNL     1       1.906  -1.264   1.815  1.00  0.00           H  
HETATM   20  H7  UNL     1      -2.208  -2.480   0.450  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.799  -1.480   1.786  1.00  0.00           H  
HETATM   22  H9  UNL     1      -3.195   0.361   0.549  1.00  0.00           H  
HETATM   23  H10 UNL     1      -3.377  -0.878  -0.704  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.663  -0.125  -1.960  1.00  0.00           H  
HETATM   25  H12 UNL     1      -2.380   2.009  -0.004  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.096   2.351  -1.276  1.00  0.00           H  
HETATM   27  H14 UNL     1      -2.789   1.884  -1.724  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3    7
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   12
CONECT    6    7    7    8
CONECT    7   19
CONECT    8    9    9   10
CONECT   10   11   20   21
CONECT   11   12   22   23
CONECT   12   13   24
CONECT   13   25   26   27
END