HMDB0254664
     RDKit          3D
Methylsulfonylpentachlorobenzene
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.5834   -0.0714    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757   -0.5964   -0.3478 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.8253   -2.1140   -0.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4920   -0.0856   -1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0832   -0.1647   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645   -1.0304    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075   -2.5877    0.8112 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002   -0.6829    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3432   -1.8325    0.8557 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243    0.5329   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    0.9794   -0.2842 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002    1.4096   -0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1505    2.9849   -1.4616 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530    1.0666   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    2.1499   -1.4683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8037    0.2473    1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -0.9227    1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    0.7176    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14  5  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
M  END