HMDB0000996
     RDKit          3D
3-Sulfinoalanine
 16 15  0  0  0  0  0  0  0  0999 V2000
   -1.0555    1.8671    0.2225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5994    0.5203    0.0073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8802    0.4453    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106   -1.2234    0.0336 S   0  0  0  0  0  4  0  0  0  0  0  0
    3.0039   -1.2015    0.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -1.7275   -1.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -0.3839    0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067    0.0096    1.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1234   -1.7394    0.7952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516    2.5294    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7560    2.1850   -0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7264    0.2167   -1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    0.8308    1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.0910   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -1.0442   -2.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -2.3752    0.1749 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  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  6
  3 13  1  0
  3 14  1  0
  6 15  1  0
  9 16  1  0
M  END