HMDB0001972
     RDKit          3D
3-Aminosalicylic acid
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.7485    0.4417    0.0293 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302   -0.1056    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2660   -1.4816   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -2.0336   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113   -1.2248   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    0.1600    0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    1.0155    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    2.2476    0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4155    0.4922    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2985    0.6721    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    2.0476    0.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1860    0.7844   -0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    0.4739    0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1287   -2.1381   -0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -3.1188   -0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1027   -1.6351   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    0.9131    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    2.4896    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10 11  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  9 17  1  0
 11 18  1  0
M  END