109
re-optimised, now a more sensible energy!
  Fe     -0.3180566831     1.6549829802     1.4460036654
  O      -0.6859077264    -0.2640125585     1.6306772633
  O       0.1131349845    -0.3093066097    -0.4339725274
  O      -2.8915571629     2.3501402190     2.7786271280
  O       1.5944967614     1.6631369722     3.7022712050
  O      -0.1595672935     4.4309543238     0.5351774814
  C       0.2668720270     1.1332216992    -0.1733297377
  C      -0.4418676910    -0.9465451587     0.6010003865
  C       0.8970307319     1.8282102740    -1.3318184603
  C       2.1872346199     2.3930109855    -1.1839685336
  C       2.6851655980     3.2436927165    -2.1720664690
  H       3.6763926157     3.6602335875    -2.0455415464
  C       1.9405998022     3.5315607289    -3.3093386208
  H       2.3302209633     4.2032331325    -4.0629635576
  C       0.7048235368     2.9252958086    -3.4844056196
  H       0.1262118109     3.1079661402    -4.3811683172
  C       0.1734098998     2.0662296330    -2.5152586934
  C       3.1004978213     1.9847642783    -0.0706612790
  C       3.6736238172     0.7004195600    -0.1541870211
  C       4.5339560501     0.2712945435     0.8554870751
  H       4.9763946225    -0.7144747829     0.7802822914
  C       4.8497245511     1.0821288888     1.9451798351
  C       4.3228691049     2.3704922777     1.9755432799
  H       4.5775880099     3.0300060496     2.7984259705
  C       3.4647632112     2.8437631331     0.9796024791
  C       3.4074858634    -0.1905337929    -1.3419472400
  H       2.4692703798    -0.7379601150    -1.2334994659
  H       4.2008595999    -0.9256518601    -1.4532914077
  H       3.3448829257     0.3827679299    -2.2670616105
  C       5.7356933575     0.5829233813     3.0589222659
  H       5.1484527137     0.3777697960     3.9575984897
  H       6.4964954650     1.3192248740     3.3244266852
  H       6.2448701860    -0.3393519331     2.7756883491
  C       2.9705588811     4.2671497667     1.0855607011
  H       3.8122277915     4.9529451903     1.2014838691
  H       2.3297455321     4.3942891686     1.9619738637
  H       2.4025183622     4.5795988776     0.2134226330
  C      -1.1367010847     1.4201804463    -2.8540477474
  C      -2.3586680921     2.0624971971    -2.6031357698
  C      -3.5323750975     1.5200272446    -3.1385018512
  H      -4.4726883042     2.0287302642    -2.9550959318
  C      -3.5254532318     0.3525053061    -3.8950970005
  C      -2.3034318748    -0.2924962869    -4.1013710326
  H      -2.2776605663    -1.2114755999    -4.6771920282
  C      -1.1099823133     0.2235100730    -3.6001165138
  C      -2.4379132593     3.3105881306    -1.7615756653
  H      -2.5669854896     3.0433488064    -0.7093049998
  H      -3.2869247084     3.9292650922    -2.0539573448
  H      -1.5342897936     3.9139499496    -1.8349839109
  C      -4.8007139017    -0.2253042298    -4.4566695827
  H      -5.0091128784    -1.2086839178    -4.0272700105
  H      -4.7372579463    -0.3483140085    -5.5399052276
  H      -5.6541532272     0.4190392508    -4.2431225822
  C       0.1960008633    -0.4795899173    -3.8748203884
  H       0.8916537573     0.1645720131    -4.4166007236
  H       0.0331057911    -1.3771795481    -4.4712064340
  H       0.6852920402    -0.7700695219    -2.9432188376
  C      -0.8544960191    -2.3612369321     0.5125383837
  C       0.0022164287    -3.3847735200     0.0729257287
  C      -0.4813273076    -4.6987273244     0.0520534562
  H       0.1929723611    -5.4861192937    -0.2566388829
  C      -1.7755695741    -5.0014493787     0.4453887071
  H      -2.1276392079    -6.0241137423     0.4177407929
  C      -2.6076489284    -3.9863431682     0.8981475075
  H      -3.6169417504    -4.2029341241     1.2218784090
  C      -2.1624785915    -2.6656007427     0.9567012090
  C       1.4486120061    -3.2324195873    -0.2782084819
  C       2.4001312545    -2.9889367899     0.7318035864
  C       3.7523328934    -3.1548267187     0.4323791376
  H       4.4806024198    -3.0071323114     1.2221101740
  C       4.1920791254    -3.5043661693    -0.8439528664
  C       3.2367995764    -3.6775502011    -1.8431815056
  H       3.5568078777    -3.9227903706    -2.8497985202
  C       1.8710395077    -3.5584374095    -1.5799053806
  C       2.0029303424    -2.5612551318     2.1242566418
  H       1.8542613829    -1.4780224433     2.1685375977
  H       2.7886145559    -2.8028163519     2.8397498992
  H       1.0806399684    -3.0363609717     2.4598714358
  C       5.6650467958    -3.6353743132    -1.1381317067
  H       5.8380035107    -4.1788973290    -2.0671769004
  H       6.1842643572    -4.1627750740    -0.3362918704
  H       6.1325086223    -2.6512440473    -1.2388540208
  C       0.8775480451    -3.8056441725    -2.6916261392
  H      -0.0241284744    -3.2065936318    -2.5675773634
  H       0.5701287812    -4.8538401847    -2.7305171368
  H       1.3187438016    -3.5563586353    -3.6570487115
  C      -3.1286677986    -1.6452659243     1.4733092917
  C      -3.9278433995    -0.9302820948     0.5725812805
  C      -4.8818616083    -0.0402746679     1.0732960436
  H      -5.4949019498     0.5178179897     0.3744938165
  C      -5.0601761171     0.1458127437     2.4418077759
  C      -4.2488951922    -0.5777158417     3.3194136389
  H      -4.3630060521    -0.4315733171     4.3877692959
  C      -3.2778703203    -1.4639974861     2.8591869314
  C      -3.7558975908    -1.1048932457    -0.9132237668
  H      -2.8289011906    -0.6460560403    -1.2666451735
  H      -4.5721647143    -0.6295902773    -1.4533802916
  H      -3.7236643449    -2.1581995457    -1.1988475629
  C      -6.0622644777     1.1405252514     2.9681382392
  H      -6.5529999011     0.7721243527     3.8704204592
  H      -6.8333210723     1.3580639858     2.2282389216
  H      -5.5639498117     2.0796407428     3.2196372383
  C      -2.3745253284    -2.1828612577     3.8290057546
  H      -2.4515063841    -3.2680268723     3.7331603895
  H      -2.6165434917    -1.9170553355     4.8578674735
  H      -1.3331628578    -1.9098282056     3.6426754431
  C      -1.8895073127     2.0415301583     2.2837539101
  C       0.8166755367     1.6776648593     2.8413857843
  C      -0.1724432754     3.3330433677     0.9182392373

