HMDB0062562
     RDKit          3D
Trans-urocanate
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.6947    2.3093   -0.5048 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457    1.6984    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    2.4503    0.4944 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    0.3856    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6669   -0.5682    0.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307   -0.7410    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -1.9480    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154   -1.8027   -0.5173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5953   -0.5926   -1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4269    0.0338   -0.6908 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571    2.0865    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.1264    1.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392   -1.5045    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -2.8183    0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3598   -0.1271   -1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2153    1.0120   -0.9746 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  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  3 11  1  0
  4 12  1  0
  5 13  1  0
  7 14  1  0
  9 15  1  0
 10 16  1  0
M  END