HMDB0040585
     RDKit          3D
(±)-Sulfobutanedioic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
    1.9235   -1.3982   -0.9422 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -0.3893   -0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2965   -0.1449    0.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895    0.4957    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771   -0.0278   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457   -1.2998    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -1.2977    0.6528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801   -2.4755   -0.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872    1.1952   -0.5023 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.8678    0.5413   -1.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    2.3594   -1.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    1.6014    1.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0972   -0.3517   -0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    1.4926   -0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7848    0.7136    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -0.1970   -1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6036   -3.3819    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214    2.5647    1.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  8 17  1  0
 12 18  1  0
M  END