HMDB0003584
     RDKit          3D
Taurocyamine
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.4420   -0.1129   -0.8066 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604    0.1413    0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412    0.8824    1.4148 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689   -0.2579    0.6600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -1.0065   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033   -1.1407   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3841    0.4559    0.1048 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.7559    1.2843    1.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8479    0.1892    0.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455    1.2807   -1.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7418    0.6985   -1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475   -1.0807   -1.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    1.9252    1.3026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8340    0.3685    2.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -2.0452   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0618   -0.4722   -1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -1.6450    0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1538   -1.7102   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590    2.2453   -1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
 10 19  1  0
M  END