HMDB0000193
     RDKit          3D
Isocitric acid
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.4382    0.1096    1.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067    0.8823    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9014    1.9199    0.0407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996    0.7439   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549   -0.4730    0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6645   -1.6952   -0.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -2.4499   -1.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -2.1206    0.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.5255   -0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802   -1.7409   -0.0162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216    0.5620   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025    0.2693    0.6803 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1349    1.8906   -0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9676    2.7432    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    0.7684   -1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1390    1.6896   -0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2896   -0.4718    1.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -2.5482   -0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726   -0.5652   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339   -1.6526    0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    2.6642    0.2341 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  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 13 21  1  0
M  END