22
Coordinates from ORCA-job xag
  N   -1.04932195871659     -0.36460523670444      0.19912337741819
  H   -0.81511955321440     -1.23374519145901      0.65348633722121
  C   0.05129276645711      0.52611995166611     -0.06344505704287
  H   -0.05239864946665      0.91329637491621     -1.07886297500744
  C   0.07483532624276      1.69843172139556      0.91827096166564
  C   1.32688952133641     -0.29419179870277      0.06576372316682
  H   0.89480356803884      2.38076372389233      0.69742621013267
  H   -0.86435220501831      2.24068812508781      0.84206165872415
  H   0.19462991165235      1.32380674495443      1.93372419568724
  O   1.35590926560102     -1.34258161075494      0.70312782801068
  C   -2.30805617748871     -0.06859566799048     -0.20935717754104
  C   -3.35551572003655     -1.10638219019900      0.11287691357872
  H   -3.82917946600789     -1.41918730095230     -0.81448066802692
  H   -4.12029832258893     -0.64536749053036      0.73339890352989
  H   -2.95272846871421     -1.97649983036504      0.62490158278575
  O   -2.57559649357596      0.97325326730080     -0.79991863137364
  N   2.41286774612931      0.25497519925385     -0.52633826027804
  H   2.28017152240807      1.08127961980756     -1.08221175513593
  C   3.72511614935025     -0.35204329981651     -0.45429593301800
  H   4.46854466996198      0.38065221974504     -0.14918637418416
  H   4.01850599898339     -0.78244311261268     -1.41043379306506
  H   3.67518056866672     -1.14423121793217      0.28551893275213
