HMDB0246328
     RDKit          3D
4-Acetamidobenzoic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.2176   -0.2222    0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642   -0.5486    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4789   -1.6224   -0.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815    0.3745    0.4826 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    0.1493    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535   -1.0905    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394   -1.2189   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627   -0.1162   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907   -0.2766   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -1.4122   -0.4573 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6451    0.8053   -0.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    1.1239    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    1.2678    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5138    0.4514   -0.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8181   -1.1327    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2598    0.3615    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    1.3034    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4480   -1.9948    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456   -2.2110   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3777    1.7524   -0.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0142    0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0187    2.2422    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
M  END