21
aspirin with unit cell: ABC [angstrom] 12.42 12.42 12.42
  C         2.2393000126       -0.3790999949        0.2630000114
  C         0.8424000144        1.9230999947       -0.4248999953
  C         2.8708999157        0.8456000090        0.2721999884
  C         2.1751000881        1.9934999943       -0.0702999979
  C        -3.4837999344        0.4952999949       -0.0895999968
  C         0.8909999728       -0.4647000134       -0.0939000025
  C         0.1907999963        0.6991000175       -0.4402000010
  O        -0.9632999897       -1.8424999714       -0.4185000062
  O        -1.6531000137        0.8888999820        1.3406000137
  O         0.8856999874       -2.8882999420        0.2266999930
  C         0.2090000063       -1.7719999552       -0.1068999991
  C        -2.0185000896        0.6852999926        0.2071000040
  O        -1.1188999414        0.6284999847       -0.7886000276
  H         0.3962000012       -3.7218999863        0.2035000026
  H         2.7867000103       -1.2719000578        0.5267999768
  H         0.3068999946        2.8224000931       -0.6911000013
  H         3.9130001068        0.9107999802        0.5482000113
  H         2.6781001091        2.9491999149       -0.0604000017
  H        -3.7360000610       -0.5623000264       -0.0120000001
  H        -4.0763001442        1.0636999607        0.6273000240
  H        -3.6988000870        0.8471000195       -1.0986000299
