HMDB0245792
     RDKit          3D
3-[(2,2-Dichlorovinyl)thio]-L-alanine
 18 17  0  0  0  0  0  0  0  0999 V2000
   -1.5582    0.3312   -1.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.2978    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0689   -0.0816    0.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1788    1.0738    0.0421 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722    0.5201    0.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748    0.6054   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8970    1.2739   -1.6962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4006    0.0416    0.5748 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3937   -0.7021    0.7201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4617   -0.8824    1.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890   -1.4373   -0.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742    1.2965   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -0.2611   -1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304    1.3207    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -0.0288    1.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1077   -1.1252    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    0.1010    1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376   -2.3436   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
 11 18  1  0
M  END