29
Coordinates from ORCA-job xbf
  N   1.79705537082052      0.55168073716738      0.16459174510090
  H   2.08767885043693      1.45778777184150      0.49857764416598
  C   0.37509560336670      0.33590997285727      0.06612867466317
  H   0.16913503848023     -0.20842693809537     -0.85493233997194
  C   -0.12489804757906     -0.49069928633099      1.25725967442230
  H   0.07716193487512      0.07226353912031      2.17151967787163
  H   0.48539776436809     -1.39310406276738      1.28771119860448
  C   -1.60251062718683     -0.86366096901323      1.22537066625747
  H   -1.81846534948215     -1.57108937153693      2.02642116620048
  H   -2.23303983107568      0.01146713064882      1.38280112878921
  S   -2.18197113076627     -1.56816315694545     -0.34664398825966
  C   -0.95806880677192     -2.88177596713917     -0.57095750206514
  H   -1.24850484734424     -3.42137234570316     -1.46910845917117
  H   -0.98844747890548     -3.56680240677562      0.27416032654761
  H   0.04748421998827     -2.48528517470966     -0.69777998186083
  C   -0.28469075145532      1.70546852434513      0.03004348447682
  O   0.23462199763774      2.67483877279946      0.57990701254531
  N   -1.46901630572276      1.73482216489672     -0.61633406681710
  H   -1.79430519716876      0.86842409049368     -1.02240584778137
  C   2.67650158031869     -0.42217781968531     -0.16660411711579
  O   2.31021400103576     -1.53032978149674     -0.55504469875742
  C   4.13449031899633     -0.05493243373165     -0.04490092245761
  H   4.57352826583958     -0.04820748285823     -1.04030994381101
  H   4.63932874019568     -0.82398753746827      0.53359750269509
  H   4.29167324085028      0.91448297607574      0.42107439882178
  C   -2.28376560755899      2.92853678557167     -0.69102238058419
  H   -2.42188194656786      3.24102448023212     -1.72417620103564
  H   -3.25929198689225      2.76311494368350     -0.23721708080353
  H   -1.76434701273235      3.71225084452386     -0.14869777066983
