23
Coordinates from ORCA-job xag
  N   0.99528496177058     -0.24090217147008     -0.26155277411032
  C   -0.01072962427260      0.18114666376323      0.68660692502391
  C   -1.38532223412491     -0.42957160197480      0.40882442945088
  O   -2.40664489324784      0.10610619851823      0.82849159602564
  C   -0.12370730133687      1.69853242753051      0.75681393472237
  S   -0.54867695471627      2.43944041901139     -0.85167364822726
  H   0.94960007837407      0.20113346630359     -1.16872033489509
  H   0.31744346485625     -0.19551023184090      1.65844059773802
  H   -0.87029122896452      1.98477398181661      1.49079069708100
  H   0.83836279374473      2.12308253325780      1.03818215001381
  C   2.21367867764335     -0.71594557247647      0.16470830908000
  O   2.42883199735979     -1.03261821041171      1.32404660270445
  N   -1.36276791533369     -1.58388942876576     -0.29019169766796
  C   -2.56232665629866     -2.34112013327754     -0.56980164827497
  H   -2.67315669633345     -2.51039869985823     -1.63882548650144
  H   -2.54964540697686     -3.30109857374557     -0.05663245619632
  H   -3.40400830070788     -1.75800344295759     -0.20940440193505
  H   -0.46130814771528     -1.91852143184547     -0.58481986592908
  C   3.25876567937355     -0.83385615761315     -0.91747170428515
  H   3.99944148797729     -0.05016632465619     -0.76848502178232
  H   2.84532316398723     -0.74404255045402     -1.91895182335313
  H   3.76334668864311     -1.78992458249555     -0.81246710095432
  H   -1.81264563370110      1.99932942364167     -0.84933627772768
