HMDB0060002
     RDKit          3D
Indole-3-carboxilic acid-O-sulphate
 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5516   -1.3287    0.0512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -0.5078   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    0.8329   -0.1886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    1.2957   -0.1960 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7601    2.4898    0.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010    1.6980   -1.6133 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5163    0.0583    0.3565 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238   -0.9757   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032   -2.2784    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5477   -2.2528    0.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196   -1.0175   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2766   -0.4311   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3972    0.9299   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826    1.7374   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432    1.1661   -0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9054   -0.1911   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4198    0.0960   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392   -3.1575    0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -3.1053    0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1354   -1.0785   -0.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3947    1.3475   -0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    2.8299   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799    1.8430   -0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
 14 22  1  0
 15 23  1  0
M  END