54
Coordinates from ORCA-job OWUKID-r2scan-3c E -1940.608433677858
  O           2.28273273163266      2.77311412720150      4.04589496624004
  O           0.27712566094873      1.94265586716284      3.88991748914707
  O           4.11964360769984      8.59467670538853      3.51730440542355
  O           2.91805883333787     10.35928475398420      3.09419886518836
  N           0.71923148308739      5.37760596991666      6.59231126882474
  N           1.46070810019053      4.60576032174468      5.79541777328051
  N           1.08005970431865      2.74848781133333      4.34640152776401
  N           1.47411232839128      7.79703470541957      6.35772069032155
  N           2.48605694475283      7.87111889446757      5.49139119512884
  N           3.14997954484919      9.33764435013949      3.73045011454886
  C           0.59831752882303      3.72512120102716      5.27242328037064
  C          -0.71366456037812      3.90901102739627      5.72424403395374
  H          -1.59703610116231      3.34468375320554      5.47136512920932
  C          -0.58947323176351      4.98844445673685      6.57272635264511
  H          -1.32981598745332      5.50832239325265      7.16465952918488
  C           2.24246490266563      8.97479011388041      4.77338800586737
  C           1.07199327102851      9.63515647269270      5.16467261357187
  H           0.64467035752592     10.54073295587620      4.76447034678686
  C           0.60709643296864      8.83837716861766      6.18918007128007
  H          -0.27170146366096      8.93246276989270      6.81187815566957
  B           1.29710676698064      6.61057982182233      7.36151899016727
  Li          3.49793933493138      4.19635002594795      5.14679979341298
  O           3.43914562330593      5.59947969417665      3.65887642339537
  H           0.47720492200414      6.94598560019656      8.18050531182458
  H           2.36311685721874      6.32794380332625      7.86326992737945
  H           2.56868861551625      5.84644388916180      3.32190652445482
  H           3.96925919047961      5.36067230874760      2.88269504751364
  O           5.58007625902671      8.36612533139704      6.00223067527513
  O           7.58689506676484      9.19245458337384      6.16451921975647
  O           3.74290139119196      2.54434184235547      6.52934185077064
  O           4.94251458622132      0.77795089450184      6.95067985246505
  N           7.14526354946348      5.76059580476913      3.45810667372851
  N           6.40320604608991      6.53328556105259      4.25362702760980
  N           6.78364596939242      8.38856440798155      5.70517143127135
  N           6.38874761553302      3.34150871042855      3.68917897100714
  N           5.37677672963953      3.26765656491887      4.55550624076374
  N           4.71172857095182      1.80052230643927      6.31548173668202
  C           7.26597087631393      7.41174673515284      4.77967386393180
  C           8.57878407530103      7.22559437321103      4.33120886668191
  H           9.46259047876954      7.78798031893992      4.58688351071570
  C           8.45469770733592      6.14708108799149      3.48154520166454
  H           9.19557587833892      5.62621516806985      2.89114816728853
  C           5.61928601052997      2.16308674925349      5.27248265610963
  C           6.78894416272154      1.50177233068264      4.88038413475743
  H           7.21530798774582      0.59533696834218      5.27966425670656
  C           7.25468791959915      2.29911450997761      3.85669059475749
  H           8.13338724109697      2.20473407082258      3.23389896944158
  B           6.56714218842843      4.52902598242535      2.68682114935226
  Li          4.36562494086168      6.94392712986608      4.89939463739986
  O           4.42407477218201      5.53971909919335      6.38826959290739
  H           7.38746161676465      4.19399644219152      1.86808833970737
  H           5.50169638889646      4.81311238276159      2.18478439537468
  H           5.29379933550206      5.29169908060359      6.72631091624674
  H           3.89299123709754      5.77881060058072      7.16371923507130
