HMDB0001309
     RDKit          3D
m-Chlorohippuric acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.6169    1.0852   -1.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3408    0.2650   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6934    0.5104   -0.5027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412   -0.9624    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -0.9790   -0.2145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990    0.0527    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    1.0055    0.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    0.0998    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -0.8935   -0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828   -0.7895   -0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    0.2575   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467    1.2631    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472    2.6065    1.1529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6865    1.1460    0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1438    0.8565    0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454   -1.8611   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962   -0.8854    1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068   -1.7654   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0940   -1.7420   -1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4947   -1.5701   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7777    0.3639   -0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    1.9363    1.1678 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
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  8  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
M  END