78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668052-4MHx/orca
  N   -2.75899823542568     -3.54985351634474      2.41347016029105
  C   -2.20438754763184     -4.51176967160168      1.45601078260456
  C   -2.13741641433514     -5.86176340181684      2.13045157835892
  N   -3.41205375848214     -6.04980806549951      2.85575033458270
  C   -4.47240205770245     -6.39409138915494      1.88647931503595
  C   -5.79332127539030     -6.15334583592257      2.55831128303074
  N   -5.66410915949111     -4.95328753760927      3.40223879516786
  Mo  -4.00661417656849     -4.01265268396809      3.93737891045466
  N   -3.32162092460453     -5.25954050898975      5.33353767063659
  C   -2.70442697111296     -6.57162030037437      5.10919214155193
  C   -3.28445098200244     -7.15149587473362      3.84303545811682
  H   -2.86990127598694     -7.24640707747602      5.95830160621768
  H   -1.61240112937002     -6.42732528237754      5.02103133619251
  H   -4.27651528813674     -7.56816107701168      4.05232837096581
  H   -2.64661199996670     -7.95021261734073      3.43610799074898
  H   -6.58226501750407     -6.00184901633266      1.80579683587378
  H   -6.11100439057444     -7.00739285786868      3.18291372926624
  H   -4.38809361876029     -5.74528864863674      1.00726073674230
  H   -4.36664348445305     -7.44109673209085      1.56466978803830
  H   -1.21068618155308     -4.21760202399810      1.10203353706423
  H   -2.85331835398107     -4.53234328812484      0.56419862674752
  H   -1.31005991111188     -5.87136878438726      2.85204724924365
  H   -1.98724832416371     -6.66998496883785      1.39812841235422
  C   -2.22265505478000     -2.26897341693376      2.28400577779728
  C   -0.86422529830827     -2.05870901117790      2.00236618735298
  C   -0.34237161905149     -0.78352288196467      1.77700345462226
  C   1.11153921930487     -0.67341141553462      1.55448404110535
  O   1.88305462886351     -1.62113978376467      1.48899955335562
  C   1.69123685173350      0.73662867764275      1.39573425549464
  O   2.20007956508751      1.23243070811267      0.44270123235523
  F   1.61029608766210      1.41352514500723      2.59298210365825
  C   -1.19896489058137      0.34756396046448      1.75384250162247
  C   -2.52654592307390      0.18500181596592      2.06248350482650
  C   -3.05525033377658     -1.09173971398010      2.39916128058116
  C   -4.37501908647010     -1.20541816610738      2.85944330590458
  O   -4.81520696995666     -2.28913345682281      3.40588624343205
  C   -7.01088002052107     -4.76084944478641      3.88339616243071
  C   -7.35826708385778     -5.34662628795279      5.10621256835130
  C   -8.64690294290988     -5.22943594345040      5.62426725858144
  C   -8.94489663115806     -5.69464869288177      7.01336179274697
  O   -9.89732827412826     -6.38354057389867      7.32007329821423
  C   -8.03638346436284     -5.05954939757222      8.07049702219802
  O   -7.23205610305711     -4.18464014027814      7.87996692480368
  F   -8.49943206918230     -5.29199581503441      9.32643704700661
  C   -9.64816162518334     -4.59969330998140      4.86630583320014
  C   -9.31657996109425     -4.02114714361382      3.64720569594494
  C   -8.00019760231842     -4.07178080479331      3.14794638377749
  C   -7.66645728122601     -3.38541664733865      1.87760804364479
  O   -8.46915732075919     -2.76803258883363      1.19711084506141
  C   -3.33031198296419     -4.91046899692520      6.69513207978075
  C   -3.92852659106126     -5.75088234852820      7.63113449983588
  C   -3.96494524276843     -5.41242961316125      8.99223895783078
  C   -4.73026604257751     -6.20412183599736      9.98039093147804
  O   -4.42431225010935     -6.25076695749836     11.17655451962371
  C   -5.98178951908184     -6.89679689717008      9.49810198716295
  O   -6.55635092470149     -6.78528241555264      8.43170850574736
  F   -6.55729660631342     -7.63778208633743     10.47419127921461
  C   -3.23033364742397     -4.28270520095292      9.43874454192879
  C   -2.61501313933781     -3.44741402636273      8.52966481754168
  C   -2.70819009969410     -3.69409520069709      7.13241729276554
  C   -2.22261592804321     -2.77994880456503      6.15613705143764
  O   -2.56274304177771     -2.82856244056814      4.92148673723378
  H   -0.14773915720143     -2.88017905338790      2.01302404011099
  H   -0.80555668726592      1.33570479582165      1.51625024924835
  H   -3.19724242333138      1.04438479591201      2.09885562795648
  H   -5.07259701941286     -0.36109166650443      2.79293513888678
  H   -6.60867384585595     -5.90198323230614      5.67037756233304
  H   -10.66373480378007     -4.54464936857284      5.25804867743748
  H   -10.06959391660843     -3.50300072926332      3.05231779056443
  H   -6.59456829818944     -3.45782372294420      1.57743178544816
  H   -4.42204683117092     -6.65952719715214      7.29260017625348
  H   -3.20242780283549     -4.07528003176498     10.50785519568774
  H   -2.09318771188837     -2.55205133101903      8.87082196825837
  H   -1.52831328125791     -1.98216229938460      6.46101744858787
  N   -5.23615156176298     -3.38973688818457      5.62333993619271
  H   -4.88337709197548     -2.52874092960301      6.05909305560151
  H   -5.29276763236596     -4.07723724328856      6.38271089568090
  H   -6.20365623782862     -3.19176458403468      5.36028428281306
