HMDB0244383
     RDKit          3D
S-Trichlorovinyl-N-acetylcysteine
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.0038    1.8117    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.0377   -0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314    1.4233   -1.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4195   -0.1132    0.1983 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -0.8122   -0.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457   -0.8959   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6039    0.7097   -0.0988 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979    0.4788    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0072   -1.1089    0.6359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0592    1.5374    0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3952    3.1357    0.4093 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7461    1.3814    1.1276 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0804   -2.2019   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571   -2.5975   -0.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -3.0677   -1.7239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517    2.8810    0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428    1.5335    1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    1.6709    0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272   -0.4084    1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729   -0.2820   -1.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818   -1.4370   -1.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -1.5363    0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281   -3.1400   -2.7123 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  3
 10 11  1  0
 10 12  1  0
  5 13  1  0
 13 14  2  0
 13 15  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
 15 23  1  0
M  END