79
Coordinates from ORCA-job /scratch/magstr/orcajob__5661767-jbAW/orca
  N   -2.94813893916224     -3.34982315372682      2.59190427465994
  C   -2.33011372410572     -4.10905239294011      1.49852396260658
  C   -2.14946405284862     -5.55883945558550      1.91600992899437
  N   -3.37385213932172     -6.04318142388856      2.60219988454233
  C   -4.46993443512583     -6.36255829297969      1.65533083322256
  C   -5.80211426977823     -6.24428015382911      2.37713686390850
  N   -5.83228648562513     -4.99179377556582      3.13538177681439
  Mo  -4.07530489539034     -4.36003698791750      3.87436781208657
  N   -3.07845723487544     -5.43669954217800      5.21877082668473
  C   -2.40546468426522     -6.65407669274918      4.76791864357936
  C   -3.09746410376697     -7.17422145832404      3.52181282106021
  H   -2.43426594071422     -7.44626991886283      5.53743740103907
  H   -1.33631528814909     -6.46041394162235      4.56139109844769
  H   -4.06722701771422     -7.60997291883804      3.79764942576164
  H   -2.49831303432351     -7.95198624939601      3.01493194227707
  H   -6.60875647151519     -6.25934498144149      1.62091361593783
  H   -5.97400247938930     -7.12973531490843      3.02201276549790
  H   -4.43172905223528     -5.61784171249122      0.84856309233115
  H   -4.32186121459900     -7.36489827492064      1.21430150677173
  H   -1.33315852527561     -3.70418233385877      1.25284417029848
  H   -2.93432312664205     -4.03912289644987      0.57028944547286
  H   -1.32671788056150     -5.61624124307400      2.64122058961671
  H   -1.90207332331025     -6.20546916471969      1.05503454161375
  C   -5.39467054284904      0.65330686512066      1.56211351527274
  C   -4.00342287201578      0.04931029456336      1.68244325422915
  N   -4.04164701728342     -1.21595667303589      2.40967377036926
  C   -2.74901830571145     -1.90684240878181      2.47116543761241
  C   -1.90919682848746     -1.33944930356936      3.62795257145061
  C   -0.43038803932708     -1.64006969047359      3.56077845240734
  F   -0.15882750081234     -3.02428112253132      3.75335348643959
  C   -8.50880242967855     -0.95014911052564      3.38235846809518
  C   -8.57259933260071     -2.47075665590503      3.41703754651544
  N   -7.22654949848894     -3.04323735884457      3.38186795404394
  C   -7.19763789709642     -4.50230097025585      3.33158239080287
  C   -7.88503795525814     -5.23017719013121      4.52049246363336
  C   -7.29171106116850     -4.88826587980406      5.86845032888580
  F   -7.86143359850736     -5.71871223038178      6.86496834769810
  C   0.70936330450057     -5.00593332450407      7.91864156781037
  C   -0.04994958139860     -5.26099686125731      6.61638080289319
  N   -1.20605701787537     -4.36744199762310      6.46137524343854
  C   -2.57158946948280     -4.87764635362027      6.50088879525579
  C   -2.77620382524083     -5.83930983268687      7.68230845307201
  C   -4.22752232095648     -6.24271920249971      7.83509351724293
  F   -4.36514687003278     -7.08623780735295      8.96068238448196
  H   -5.35930985054098      1.61163826507145      1.02497216534938
  H   -5.83118223024547      0.82329036010669      2.55604174787835
  H   -6.06729749881818     -0.01997269930052      1.00869296922927
  H   -3.34854094342627      0.74812607251673      2.22944094905167
  H   -3.55354333462309     -0.06621213476916      0.66970835286612
  H   -4.72061547999269     -1.84966081442384      1.97851481441329
  H   -2.17994823243173     -1.72129643990119      1.52800314148783
  H   -2.33401027141963     -1.68714746819009      4.58100675260693
  H   -1.99822438992500     -0.23943972259200      3.62494841757891
  H   -0.00542224655183     -1.37790636754276      2.57817831237938
  H   0.12096045777903     -1.10651412625430      4.34931491348385
  H   -8.01536777478121     -0.60047192346421      2.46580076848585
  H   -7.93750853794276     -0.56460927313427      4.24077483210914
  H   -9.51842381760846     -0.51761264565638      3.42718020379105
  H   -9.11985298866551     -2.84713601393215      2.53568567777546
  H   -9.15830201051925     -2.78779827214331      4.30578306642937
  H   -6.69771613983765     -2.70652063162159      4.18794943723128
  H   -7.78699342260765     -4.77254385618899      2.43179814406067
  H   -8.96166307876342     -4.99819625969001      4.52112543674206
  H   -7.79249417788558     -6.31640236722711      4.36027635116761
  H   -6.20505572913236     -5.05949402677072      5.88272683934380
  H   -7.49363244697801     -3.84799982407156      6.16719220665351
  H   1.05334579617539     -3.96263609936211      7.96442907510664
  H   1.58706787206657     -5.66633565403573      8.00043064338266
  H   0.06220005120148     -5.18480867497554      8.78933194756918
  H   0.63014422173112     -5.10734713685493      5.76225104562835
  H   -0.34827187466885     -6.32072369136471      6.57726758113754
  H   -1.09616127150605     -3.78045919200503      5.63485675400650
  H   -3.21434096937494     -4.00659885027200      6.69124256941101
  H   -2.16202375148732     -6.74591780198081      7.57934130801173
  H   -2.44381959607095     -5.32469900192020      8.59579345620396
  H   -4.87695291442776     -5.36831327034551      7.99887526371190
  H   -4.59589925873165     -6.80023531656674      6.96107798045543
  N   -4.61231517305595     -2.89120791337611      5.04932270947587
  N   -4.91535400846564     -2.03982113339186      5.76057119090703
