HMDB0060602
     RDKit          3D
N-acetyl-5-aminosalicylic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    4.2224   -0.3136   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7386   -0.2617   -0.7846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3150   -0.3955   -1.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200   -0.0653    0.3408 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059    0.0125    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    0.2133    1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212    0.2981    1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3233    0.1900    0.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7047    0.2755    0.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -0.0071   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4857   -0.1331   -1.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124   -0.3130   -2.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680   -0.0480   -1.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130   -0.0926   -0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -0.4883    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    0.5928   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031   -1.2074   -1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    0.0403    1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649    0.3021    2.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    0.4567    2.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1159    0.4190    1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3435    0.7744   -2.1633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456   -0.2492   -1.7122 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
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  2  0
 14  5  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 13 22  1  0
 14 23  1  0
M  END