HMDB0029694
     RDKit          3D
S-Methyl benzenecarbothioate
 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.8351    0.5392    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1059    0.5232    0.8852 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0937   -0.0175   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -0.3226   -1.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393   -0.1051   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    0.2257    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676    0.1365    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805   -0.2735    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980   -0.6009   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413   -0.5260   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4501    0.8233    1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1133   -0.4946    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195    1.2128   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882    0.5599    1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    0.3959    2.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620   -0.3567    0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -0.9314   -1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   -0.7884   -2.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END