HMDB0257424
     RDKit          3D
S-Phenyl thioacetate
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.6306   -0.0161   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -0.4381    0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420   -0.6821    1.5131 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -0.6068    1.8477 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -0.2079    0.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8469    1.0696    0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352    1.3995   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    0.3884   -0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0570   -0.8857   -0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9596   -1.2020    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -0.6970   -1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0491    1.0181   -0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6163   -0.0927   -0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544    1.8370    1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3262    2.4125   -0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4095    0.6027   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5500   -1.6727   -1.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127   -2.2265    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  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