29
Coordinates from ORCA-job xbm
  N   1.36869911644979     -1.18086057126592      0.39435796129733
  H   1.09830047204214     -1.64891604721364      1.24288438963404
  C   0.37336847364662     -0.37332336309152     -0.29720737977247
  H   0.61281996787839     -0.43091355424732     -1.36060425651775
  C   -1.01790828177602     -0.91337619015108     -0.02284932246526
  H   -1.25474069613269     -0.72891385601883      1.02513065220450
  H   -1.02992491996783     -1.98980018448036     -0.19610185974891
  C   -2.06030124873146     -0.24541767925144     -0.90833625416149
  H   -1.93896715262743     -0.56528749546379     -1.94378918514196
  H   -1.95660541656579      0.83886207669230     -0.87484532516979
  S   -3.76207073063965     -0.66220255998626     -0.45004138398942
  C   -3.90218020523745      0.38333278862595      1.01781576305499
  H   -4.90662693963553      0.24504462404908      1.41040450583607
  H   -3.75921572770594      1.42886456850671      0.75540637985648
  H   -3.18199774622898      0.10075520534206      1.78094299300182
  C   0.49135508509557      1.08670395320831      0.16561542453945
  O   -0.29022427045054      1.58251201359464      0.97305082102857
  N   1.53312755935374      1.74305199393876     -0.38798044541226
  H   2.20445137285196      1.17659457438002     -0.89332670496763
  C   2.65381978688039     -1.26035325480487     -0.02894399114018
  O   3.06247994957174     -0.63534870708528     -1.00792861573325
  C   3.55146275072719     -2.17810031827994      0.76007117439602
  H   4.42600685598138     -1.61725464795581      1.07951293199267
  H   3.89171013122237     -2.97430303586395      0.10188214638788
  H   3.06408579333038     -2.61535339664906      1.62767110198775
  C   1.88144508480597      3.08051541488941      0.04240985114415
  H   2.42045513584895      3.58578613051456     -0.75364085147538
  H   0.96658419330927      3.62194635730187      0.26260492560434
  H   2.49779860670344      3.07214416076539      0.94184955372968
