COMPND    HMDB0033269
HETATM    1  O1  UNL     1       4.792   2.172  -0.884  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.583   1.128   0.014  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.176   0.763   0.133  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.013   0.472   0.249  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.600   0.132   0.367  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.007  -0.610   1.343  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.330  -0.793   1.245  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.967  -0.231   0.191  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.391  -0.250  -0.190  1.00  0.00           C  
HETATM   10  C9  UNL     1      -4.448  -0.837   0.413  1.00  0.00           C  
HETATM   11  C10 UNL     1      -5.653  -0.694  -0.155  1.00  0.00           C  
HETATM   12  C11 UNL     1      -5.717   0.040  -1.311  1.00  0.00           C  
HETATM   13  S1  UNL     1      -4.089   0.499  -1.553  1.00  0.00           S  
HETATM   14  S2  UNL     1      -0.708   0.547  -0.651  1.00  0.00           S  
HETATM   15  C12 UNL     1       5.362  -0.059  -0.478  1.00  0.00           C  
HETATM   16 CL1  UNL     1       5.180  -1.469   0.583  1.00  0.00          CL  
HETATM   17  H1  UNL     1       3.917   2.525  -1.187  1.00  0.00           H  
HETATM   18  H2  UNL     1       5.010   1.443   0.998  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.609  -1.027   2.166  1.00  0.00           H  
HETATM   20  H4  UNL     1      -1.920  -1.382   1.986  1.00  0.00           H  
HETATM   21  H5  UNL     1      -4.303  -1.417   1.353  1.00  0.00           H  
HETATM   22  H6  UNL     1      -6.593  -1.130   0.250  1.00  0.00           H  
HETATM   23  H7  UNL     1      -6.618   0.262  -1.913  1.00  0.00           H  
HETATM   24  H8  UNL     1       6.442   0.253  -0.490  1.00  0.00           H  
HETATM   25  H9  UNL     1       5.061  -0.336  -1.510  1.00  0.00           H  
CONECT    1    2   17
CONECT    2    3   15   18
CONECT    3    4    4    4
CONECT    4    5
CONECT    5    6    6   14
CONECT    6    7   19
CONECT    7    8    8   20
CONECT    8    9   14
CONECT    9   10   10   13
CONECT   10   11   21
CONECT   11   12   12   22
CONECT   12   13   23
CONECT   15   16   24   25
END