HMDB0240253
     RDKit          3D
N-Acetyltaurine
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.1565    0.8073    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -0.2198    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.2480    0.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -0.0584   -0.2160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1533   -1.0801    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5080   -0.8272   -0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912    0.6621    0.1427 S   0  0  0  0  0  6  0  0  0  0  0  0
   -1.3201    1.8460   -0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087    0.4020    1.6183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352    0.9468   -0.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541    0.7613   -0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6907    1.8220    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9971    0.7480    0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    0.7860   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.0311   -0.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1808   -1.2254    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -0.8519   -1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1917   -1.6543   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3959    0.4147    0.0084 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  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
  1 13  1  0
  4 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