COMPND    HMDB0035896
HETATM    1  C1  UNL     1       3.072   1.472   0.010  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.715   0.268   0.365  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.750  -0.756   0.617  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.311  -0.048   0.511  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.984  -1.375   0.801  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.240  -2.037   0.721  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.406  -1.609   0.136  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.451  -2.627  -0.139  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.766  -0.332  -0.249  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.927   0.106  -0.796  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.870   1.463  -1.028  1.00  0.00           C  
HETATM   12  C12 UNL     1      -1.636   1.935  -0.623  1.00  0.00           C  
HETATM   13  C13 UNL     1      -1.159   3.299  -0.689  1.00  0.00           C  
HETATM   14  O1  UNL     1      -1.907   4.183  -1.154  1.00  0.00           O  
HETATM   15  C14 UNL     1      -0.919   0.862  -0.134  1.00  0.00           C  
HETATM   16  C15 UNL     1       0.373   0.951   0.366  1.00  0.00           C  
HETATM   17  H1  UNL     1       4.149   1.694  -0.093  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.433   2.307  -0.208  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.736  -0.409   0.216  1.00  0.00           H  
HETATM   20  H4  UNL     1       3.544  -1.711   0.058  1.00  0.00           H  
HETATM   21  H5  UNL     1       3.873  -0.951   1.711  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.830  -1.956   1.137  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.306  -3.015   1.170  1.00  0.00           H  
HETATM   24  H8  UNL     1      -3.351  -2.436   0.492  1.00  0.00           H  
HETATM   25  H9  UNL     1      -2.099  -3.650   0.129  1.00  0.00           H  
HETATM   26  H10 UNL     1      -2.794  -2.590  -1.202  1.00  0.00           H  
HETATM   27  H11 UNL     1      -3.771  -0.570  -1.006  1.00  0.00           H  
HETATM   28  H12 UNL     1      -3.689   2.053  -1.467  1.00  0.00           H  
HETATM   29  H13 UNL     1      -0.180   3.550  -0.344  1.00  0.00           H  
HETATM   30  H14 UNL     1       0.699   1.929   0.690  1.00  0.00           H  
CONECT    1    2    2   17   18
CONECT    2    3    4
CONECT    3   19   20   21
CONECT    4    5    5   16
CONECT    5    6   22
CONECT    6    7    7   23
CONECT    7    8    9
CONECT    8   24   25   26
CONECT    9   10   10   15
CONECT   10   11   27
CONECT   11   12   12   28
CONECT   12   13   15
CONECT   13   14   14   29
CONECT   15   16   16
CONECT   16   30
END