105

   Fe     -1.5273228688    -1.3105665025    -0.6512262845
   O      -0.2128241593     1.5646377698    -1.5810614624
   O      -1.6175737605    -0.1551457100    -3.3255442854
   C      -0.6889383707     1.8624742108     0.7675362935
   C      -1.9581999061     2.3876312788     1.1234764239
   C      -2.0492627650     3.2663691546     2.2140223725
   H      -3.0169949534     3.6910821282     2.4432675789
   C      -0.9501327908     3.6179689472     2.9754049781
   H      -1.0544767743     4.2881668311     3.8182672566
   C       0.2915038121     3.1397828872     2.5990208919
   H       1.1828243494     3.4498922745     3.1287818008
   C       0.4505543317     2.3086335883     1.4827747981
   C      -3.2844858271     2.1944986921     0.4361566031
   C      -4.3770181375     1.7173983441     1.2018207862
   C      -5.6632521281     1.7391872780     0.6636858577
   H      -6.4883887051     1.3746642811     1.2671017384
   C      -5.9168183490     2.2175890205    -0.6206498423
   C      -4.8397368218     2.7095402343    -1.3508992055
   H      -5.0143502802     3.1261709754    -2.3367313335
   C      -3.5352984386     2.7361550684    -0.8419957639
   C      -4.2354536356     1.2335648398     2.6325061039
   H      -3.2244612822     0.9075136433     2.8691498872
   H      -4.9235453270     0.4079696502     2.8270976935
   H      -4.4828859134     2.0276475664     3.3408559597
   C      -7.3081305758     2.1833442487    -1.2004438362
   H      -7.4371322366     2.9442457456    -1.9708922545
   H      -8.0636975255     2.3515556718    -0.4314124202
   H      -7.5156052664     1.2122558098    -1.6594775397
   C      -2.4812986121     3.4429357663    -1.6576780877
   H      -1.6798783919     3.8338223531    -1.0331390762
   H      -2.9312840044     4.2773104268    -2.1974077793
   H      -2.0134680533     2.7750259938    -2.3785427268
   C       1.8969309898     2.1359869688     1.1089699298
   C       2.7276886730     1.2917578469     1.8616397401
   C       4.1103899776     1.3850165841     1.7060393056
   H       4.7481214508     0.7580669082     2.3180888114
   C       4.6904928636     2.2673866982     0.7984030957
   C       3.8462081547     3.0587154096     0.0226413841
   H       4.2755050339     3.7497621363    -0.6950069013
   C       2.4589321010     3.0268466956     0.1755600846
   C       2.1530107765     0.2717948290     2.8111110121
   H       1.2873428746     0.6528716890     3.3536342329
   H       2.8977066810    -0.0544694577     3.5384543927
   H       1.8212336926    -0.6030601726     2.2449757197
   C       6.1887341335     2.3990627512     0.6844853789
   H       6.5116423836     2.3738999415    -0.3575612239
   H       6.6981698558     1.5913533209     1.2120693140
   H       6.5340400260     3.3435143285     1.1131926566
   C       1.5997477931     3.9777008624    -0.6210553071
   H       0.9485822811     3.4293720400    -1.3028617206
   H       2.2197974652     4.6568348379    -1.2066519646
   H       0.9628380808     4.5805666868     0.0317330861
   C       1.0329923329    -2.4417608776     0.0729652903
   C       2.3990481760    -2.7268506281    -0.0861510682
   C       2.8333446282    -4.0026633433     0.3165743149
   H       3.8670654914    -4.2682755946     0.1442684563
   C       1.9832097169    -4.9275055904     0.9090388095
   H       2.3698911510    -5.8882461781     1.2224352235
   C       0.6271550652    -4.6374103143     1.0585144701
   H      -0.0582463707    -5.3647242345     1.4734028459
   C       0.1604076181    -3.4174782374     0.5996693139
   C       3.4016337839    -1.8113179728    -0.7122048868
   C       4.6036915344    -1.5410029620    -0.0246428651
   C       5.5968382113    -0.7889492130    -0.6514604246
   H       6.5149824121    -0.5850125203    -0.1123527267
   C       5.4359065205    -0.2801525293    -1.9360112070
   C       4.2373985754    -0.5420676608    -2.5940706324
   H       4.0860341930    -0.1517288033    -3.5944973020
   C       3.2194281829    -1.2989799976    -2.0144599490
   C       4.8618005309    -2.0151278004     1.3895680107
   H       3.9537375379    -2.0123227926     1.9918482660
   H       5.5883372218    -1.3624572305     1.8734154216
   H       5.2723019129    -3.0271024391     1.4191299099
   C       6.5149395797     0.5352312748    -2.6019775272
   H       6.1806013894     1.5616389161    -2.7707679403
   H       6.7862303279     0.1157466529    -3.5730937311
   H       7.4179270680     0.5726954740    -1.9913324714
   C       1.9728140539    -1.5276605533    -2.8340770446
   H       1.4497335415    -2.4446297961    -2.5643406831
   H       2.2223768233    -1.5873043263    -3.8937357061
   H       1.2780783442    -0.6940486679    -2.7112964343
   C      -1.2780493289    -3.0539106227     0.4338398546
   C      -1.9011501319    -2.0828055346     1.2833495450
   C      -3.0843273467    -1.4509620971     0.8269643544
   H      -3.5320506997    -0.6793916329     1.4271230503
   C      -3.6740609971    -1.7853011809    -0.4139680821
   C      -3.0539827580    -2.7732446981    -1.2027564871
   H      -3.4632789539    -2.9880032900    -2.1813487718
   C      -1.8583233433    -3.4181779521    -0.8167458536
   C      -1.3058938013    -1.6912100581     2.6090256253
   H      -1.3806588226    -0.6142672715     2.7613993688
   H      -0.2546658603    -1.9651649703     2.6736466349
   H      -1.8332262848    -2.1925125863     3.4240707471
   C      -1.2216141113    -4.4323969918    -1.7294859502
   H      -1.6664829689    -4.3821249579    -2.7226018434
   H      -1.3649998637    -5.4440058589    -1.3430871418
   H      -0.1494225920    -4.2695388124    -1.8277842697
   C      -4.8984450144    -1.0809943225    -0.9268094990
   H      -5.7015955502    -1.0994492722    -0.1897269804
   H      -5.2622597125    -1.5528113751    -1.8394962988
   H      -4.6794897767    -0.0379682962    -1.1478974473
   C      -0.4608827211     1.0428127991    -0.4930319448
   C       0.2764569042    -1.1996205391    -0.2848560766
   C      -1.5239503504    -0.5655131717    -2.2354495661
   O       0.8429089248    -0.0574167856    -0.1117753837

