COMPND    HMDB0015039
HETATM    1  C1  UNL     1      -2.718   0.507  -0.554  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.713  -0.404   0.395  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.973  -0.829   1.013  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.205  -0.140   0.490  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.469  -1.022   0.865  1.00  0.00           C  
HETATM    6  O1  UNL     1      -1.503  -1.881   1.764  1.00  0.00           O  
HETATM    7  C6  UNL     1      -0.177  -0.650   0.296  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.791   0.029   0.997  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.002   0.399   0.418  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.265   0.087  -0.895  1.00  0.00           C  
HETATM   11  O2  UNL     1       3.458   0.449  -1.491  1.00  0.00           O  
HETATM   12  C10 UNL     1       4.444   1.122  -0.757  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.939   0.258   0.332  1.00  0.00           C  
HETATM   14  O3  UNL     1       5.776   0.663   1.168  1.00  0.00           O  
HETATM   15  O4  UNL     1       4.455  -1.042   0.418  1.00  0.00           O  
HETATM   16  C12 UNL     1       1.305  -0.594  -1.614  1.00  0.00           C  
HETATM   17 CL1  UNL     1       1.667  -0.978  -3.288  1.00  0.00          CL  
HETATM   18  C13 UNL     1       0.103  -0.952  -1.009  1.00  0.00           C  
HETATM   19 CL2  UNL     1      -1.034  -1.836  -1.987  1.00  0.00          CL  
HETATM   20  H1  UNL     1      -3.624   0.955  -0.898  1.00  0.00           H  
HETATM   21  H2  UNL     1      -1.773   0.844  -1.018  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.110  -1.936   1.003  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.881  -0.584   2.106  1.00  0.00           H  
HETATM   24  H5  UNL     1      -6.047  -0.251   1.226  1.00  0.00           H  
HETATM   25  H6  UNL     1      -5.494  -0.492  -0.517  1.00  0.00           H  
HETATM   26  H7  UNL     1      -5.029   0.951   0.452  1.00  0.00           H  
HETATM   27  H8  UNL     1       0.632   0.299   2.041  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.728   0.956   1.035  1.00  0.00           H  
HETATM   29  H10 UNL     1       5.283   1.347  -1.467  1.00  0.00           H  
HETATM   30  H11 UNL     1       4.082   2.100  -0.365  1.00  0.00           H  
HETATM   31  H12 UNL     1       4.819  -1.793  -0.159  1.00  0.00           H  
CONECT    1    2    2   20   21
CONECT    2    3    5
CONECT    3    4   22   23
CONECT    4   24   25   26
CONECT    5    6    6    7
CONECT    7    8    8   18
CONECT    8    9   27
CONECT    9   10   10   28
CONECT   10   11   16
CONECT   11   12
CONECT   12   13   29   30
CONECT   13   14   14   15
CONECT   15   31
CONECT   16   17   18   18
CONECT   18   19
END