29
Coordinates from ORCA-job xau
  N   -1.65143304557548      0.10511682628568     -0.30625173033995
  H   -1.51333349275552      0.36258778016134     -1.27642075543907
  C   -0.73395180116410      0.75903914287252      0.59831647778202
  H   -1.29238534402689      1.41997048447844      1.26644979171788
  C   0.03487203171297     -0.26794919896548      1.45075323265712
  C   0.21904758027122      1.57322918097591     -0.27519263942506
  H   0.54440170366313      0.23427576264333      2.27477725702328
  H   -0.70736375482356     -0.92762603501856      1.90142147619397
  C   1.05008778801935     -1.00798665959991      0.65858371603642
  O   0.12803812776873      1.57007882475406     -1.49984937632114
  N   0.73724391315136     -1.79490441757627     -0.42162921672897
  C   2.42862700363064     -1.05978040890839      0.73019312205356
  H   -0.19324566917118     -1.92752803683370     -0.78217881906579
  C   1.90025801012694     -2.27089891130403     -0.94539056636345
  N   2.95121205171697     -1.84640418203685     -0.26365022126121
  H   3.05933284432456     -0.57793711619053      1.45899222542269
  H   1.92512270535329     -2.91217721929850     -1.80931404974058
  C   -2.87712824568035     -0.30126390671954      0.14119134283053
  C   -3.84277226319699     -0.74135637747645     -0.93147282213010
  O   -3.15890967641260     -0.32301668534726      1.33251723489168
  H   -4.67932449130978     -0.04574320938980     -0.94768474084892
  H   -4.23494027365157     -1.72031588000679     -0.66871633005715
  H   -3.39201229765016     -0.78022258107156     -1.91990974806494
  N   1.15074959315858      2.28516106069710      0.39206018720925
  C   2.23420260382517      2.92959104482156     -0.32627031738864
  H   1.25479950970962      2.12282981958166      1.37786567657647
  H   2.71887686631579      3.64477586315944      0.33112481283004
  H   2.96511563582048      2.20115543561326     -0.67680789831941
  H   1.82529638684939      3.45002259969931     -1.18638232173054
