23
Coordinates from ORCA-job xal
  N   1.04300117836571     -0.67380324328888     -0.32999381663821
  C   -0.04259760971786     -0.35637086872603      0.55050472373084
  C   -1.33782535025144     -0.63492965374641     -0.19751193530046
  O   -1.37787068324798     -0.66560016239507     -1.42344130049138
  C   -0.01319464288037      1.10354850134329      1.03490891245691
  S   0.03402331955909      2.33490906515271     -0.29519822872777
  H   0.82810564974006     -0.66750808830860     -1.31489659932027
  H   0.02820077912947     -0.98714506590305      1.44024841081250
  H   -0.85533713940985      1.29359503174064      1.69890760977366
  H   0.90869591849172      1.25001533904854      1.59497938788645
  C   2.32060232184543     -0.71918292814988      0.12729637378631
  O   2.58900200291959     -0.60042043349984      1.31916045585095
  N   -2.42711885252093     -0.76826331068856      0.59567473297384
  C   -3.75421338365709     -0.98857788196802      0.05840367688636
  H   -4.46292186831110     -0.28736732078319      0.49256263256829
  H   -3.69925318772242     -0.82923931672545     -1.01353442559674
  H   -4.09437824197572     -2.00558212763083      0.24585892383875
  H   -2.28445056144068     -0.81583782780246      1.58932509000452
  C   3.37767106663003     -0.91837422071592     -0.92931664961753
  H   3.87635767260323      0.03356840291718     -1.10294998167265
  H   2.97007594924697     -1.27884667206408     -1.87040187285292
  H   4.11605693885721     -1.62082786974110     -0.55412541043586
  H   -1.08344727625309      1.93975565193501     -0.91799170991561
