HMDB0253469
     RDKit          3D
Indole-5-carboxylic acid
 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.6811   -0.7955    0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8994    0.1044    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3986    1.3192   -0.3646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701   -0.1364    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -1.3300    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3403   -1.5817    0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311   -0.6019    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.6049    0.4577 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    0.5761   -0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887    1.3566   -0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    0.5952   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    0.8458   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9019    1.2690   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -2.1066    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908   -2.5054    1.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -1.3995    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    0.8555   -0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456    2.3477   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8746    1.7923   -0.5535 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
 11  7  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
M  END