33
Coordinates from ORCA-job xas
  N   -1.40350653280091     -1.20689326306646     -0.33137707070456
  C   -0.50262082889566     -0.28745881746944      0.35169558032453
  C   -0.72293916785469      1.12797084805009     -0.19988147185991
  O   0.02238822266731      1.63206620181937     -1.03481592786583
  C   0.93619736129017     -0.72884290435836      0.17089627780890
  C   1.89325522174621      0.06989806895056      1.04807907379128
  H   -1.06925004048905     -1.67722494790384     -1.15558505063389
  H   -0.78361370165754     -0.30762897933573      1.40578423886914
  H   1.00891074746114     -1.79008817255594      0.42044361724590
  H   1.59294914146053     -0.04817781085075      2.09187384271786
  H   1.79954119088540      1.12921604987475      0.80356410160203
  N   -1.81844764105020      1.73627587771375      0.30688728572997
  H   -2.45700535573696      1.14795207534569      0.82869894061559
  C   -2.26518130430891      3.00853698880880     -0.21884916677282
  H   -2.83564053660718      2.89271557954470     -1.14111422036338
  H   -1.39439702741353      3.62009994352518     -0.43448817161569
  H   -2.88397054015271      3.50611290529841      0.52212968063598
  C   -2.69530158191139     -1.36481001142997      0.04613299598960
  O   -3.18945378675234     -0.73469083866377      0.98160265598890
  C   -3.49121318706760     -2.37652766245590     -0.73800220292450
  H   -4.37169645558889     -1.88543084222163     -1.14473396338705
  H   -3.83139947947208     -3.15027837478620     -0.05375916553279
  H   -2.92698791420981     -2.83548535572795     -1.54579198789493
  H   1.19886385307529     -0.60358999681911     -0.88016904277918
  C   3.34779188483515     -0.36107281242832      0.89125851322205
  H   3.45545937689472     -1.42840212749466      1.09478113849411
  H   3.95525233866481      0.16123143647677      1.63515618688207
  C   3.91957017516948     -0.06469786434464     -0.48594412749307
  H   3.74280301747971      0.99203202102706     -0.72091532454329
  H   3.39179423071002     -0.64735089058250     -1.24060542896844
  N   5.32815549539333     -0.46101463832243     -0.53049685192602
  H   5.70965503497734     -0.27395933587364     -1.44948745427022
  H   5.85693578925882      0.11899665025611      0.11021849961767
