612
Coordinates from ORCA-job run_oniom
  Zn          3.19013613082026      1.68642430090361      9.67909749563443
  S           3.09170811559191      4.84619964197308      6.35594737716625
  S           4.11836102922617     -1.54673981999520      6.49450408142349
  N           4.57404142065750      1.71822884614791     11.20796328490722
  N           4.25403584885123      2.06360952998386     12.47838310131879
  N           6.40396055905653      1.70453487533350     12.36192106269350
  N           7.74814926480669      1.62675170929781     12.60301354959643
  N           1.42065933699051      1.69547203822164     10.75609757274033
  N           0.22957568441056      1.76760388849341     10.10524572488008
  N          -0.12349158369962      1.75454599557552     12.26304263257803
  N          -0.87673865125884      1.73723442796117     13.39398365072478
  N           3.18689178376014      3.32916132685346      8.69539781353171
  N           3.55275416265406      0.07805627761313      8.69575655345832
  O           8.81490554206790      1.52023710780536     16.46960008110416
  H           9.13089424769395      1.58629666809938     17.38935772125973
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  C           5.35588145973500      2.05128876261023     13.16944083060571
  H           5.44008405290128      2.30181453054429     14.22344214132453
  C           5.86595652410709      1.50976374106745     11.13664195973982
  H           6.43538674194122      1.22299219643811     10.25475163875191
  C           8.10842498512673      1.58757262603769     13.83406888573253
  H           7.38852107471904      1.56880347337508     14.66281563502120
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  C          11.87263086152279      1.63468081629453     13.67663803219527
  H          12.67791721473711      1.66041100486717     12.94020729926624
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  C          -2.45788284471396      1.59607584258570     15.77900105335398
  C          -3.12406917900117      1.55970204694066     17.01323281399917
  H          -4.20212307013235      1.38529986706055     17.02257429388380
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  H           0.71183040571366      2.15012207848138     16.95170430296380
  C           3.15793047823327      3.96722517335032      7.69760042776306
  C           3.80596636326542     -0.59959062275577      7.75826170976002
  Zn        -16.30640600000000      1.58266700000000      9.79428900000000
  S         -16.35610800000000      5.01902900000000      6.65538000000000
  S         -15.41586600000000     -1.58023500000000      6.57001300000000
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  C         -16.35102100000000      3.92086300000000      7.82561300000000
  C         -15.80703000000000     -0.63636300000000      7.80756500000000
  Zn         22.82959400000000      1.58266700000000      9.79428900000000
  S          22.77989200000000      5.01902900000000      6.65538000000000
  S          23.72013400000000     -1.58023500000000      6.57001300000000
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  H          17.92014000000000      2.04117300000000     10.80113200000000
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  C          16.34515000000000      1.75101300000000     17.01565400000000
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  C          22.78497900000000      3.92086300000000      7.82561300000000
  C          23.32897000000000     -0.63636300000000      7.80756500000000
  Zn          6.52240600000000      5.17278300000000      9.79428900000000
  S           6.57210800000000      1.73642100000000      6.65538000000000
  S           5.63186600000000      8.33568500000000      6.57001300000000
  N           5.07593900000000      5.16386600000000     11.18795500000000
  N           5.43599000000000      5.08144900000000     12.50906900000000
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  C          13.00685000000000      5.00443700000000     17.01565400000000
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  C          12.28479000000000      5.05307700000000     18.16711700000000
  H          12.81044600000000      5.06100700000000     19.12196400000000
  C          10.89350600000000      5.09496000000000     18.15989799999999
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  C          10.25363200000000      5.10441800000000     16.96151000000000
  H           9.16418400000000      5.13608800000000     16.94671100000000
  C           6.56702100000000      2.83458700000000      7.82561300000000
  C           6.02303000000000      7.39181300000000      7.80756500000000
  Zn         -6.52240600000000     -1.58266700000000     17.27771100000000
  S          -6.57210800000000     -5.01902900000000     20.41662000000000
  S          -5.63186600000000      1.58023500000000     20.50198700000000
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  H          -2.24779600000000     -1.51353200000000     12.48479400000000
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  C           0.29743400000000     -1.64968100000000     11.59764500000000
  C           1.64175500000000     -1.67535200000000     11.24390400000000
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  Zn         13.04559400000000     -1.58266700000000     17.27771100000000
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  N          13.00880600000000     -3.16560400000000     18.37466900000000
  N          13.23579500000000     -0.01486200000000     18.36564500000000
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  H           7.02855200000000     -1.70884500000000     13.14823900000000
  C          15.24738600000000     -1.68210700000000     13.89515500000000
  H          15.31391700000000     -1.75497100000000     12.80962200000000
  C          15.79529000000000     -1.54024300000000     15.93638400000000
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  C          19.86543400000000     -1.64968100000000     11.59764500000000
  C          21.20975500000000     -1.67535200000000     11.24390400000000
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  H          20.20259000000000     -1.39889200000000     14.97751200000000
  C           9.19304600000000     -1.91584600000000     16.03564800000000
  H           8.13614000000000     -2.04117300000000     16.27086800000000
  C          11.00895700000000     -1.67264900000000     14.94193900000000
  H          11.72424500000000     -1.55551000000000     14.12784800000000
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  C           6.56115000000000     -1.75101300000000     10.05634600000000
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  C           7.28321000000000     -1.70237300000000      8.90488300000000
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  C          13.00097900000000     -3.92086300000000     19.24638700000000
  C          13.54497000000000      0.63636300000000     19.26443500000000
  Zn         -3.26159400000000     -1.58266700000000      8.25371100000000
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  S          -4.15213400000000      1.58023500000000     11.47798700000000
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  N          -6.52005800000000     -1.59023300000000      5.68331500000000
  N          -7.91232100000000     -1.58618000000000      5.46673900000000
  N          -1.53608800000000     -1.70777800000000      7.19573800000000
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  N           0.10449300000000     -1.79965200000000      5.76453100000000
  N           0.93339400000000     -1.77398100000000      4.64375000000000
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  N          -3.45179500000000     -0.01486200000000      9.34164500000000
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  O           3.31266700000000     -1.73074600000000      3.35512300000000
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  C          -5.46338600000000     -1.68210700000000      4.87115500000000
  H          -5.52991700000000     -1.75497100000000      3.78562200000000
  C          -6.01129000000000     -1.54024300000000      6.91238400000000
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  C          -8.28117800000000     -1.54834900000000      4.25571800000000
  H          -7.53620400000000     -1.51353200000000      3.46079400000000
  C          -9.71355500000000     -1.55105100000000      3.92002600000000
  C         -10.08143400000000     -1.64968100000000      2.57364500000000
  C         -11.42575500000000     -1.67535200000000      2.21990400000000
  H         -11.72146700000000     -1.74816200000000      1.17331900000000
  C         -12.36893300000000     -1.61049900000000      3.19991000000000
  H         -13.42380500000000     -1.64058800000000      2.92706100000000
  C         -12.02453600000000     -1.50781600000000      4.52643800000000
  H         -12.80316600000000     -1.44773300000000      5.28683700000000
  C         -10.69391200000000     -1.47809200000000      4.90183700000000
  H         -10.41859000000000     -1.39889200000000      5.95351200000000
  C           0.59095400000000     -1.91584600000000      7.01164800000000
  H           1.64786000000000     -2.04117300000000      7.24686800000000
  C          -1.22495700000000     -1.67264900000000      5.91793900000000
  H          -1.94024500000000     -1.55551000000000      5.10384800000000
  C           0.37374900000000     -1.72669300000000      3.51214100000000
  H          -0.71474100000000     -1.72035600000000      3.45494700000000
  C           1.15255500000000     -1.68210700000000      2.28126700000000
  C           2.55166700000000     -1.72939500000000      2.25419500000000
  C           3.22285000000000     -1.75101300000000      1.03234600000000
  H           4.31090900000000     -1.80794800000000      1.00065300000000
  C           2.50079000000000     -1.70237300000000     -0.11911700000000
  H           3.02644600000000     -1.69444300000000     -1.07396400000000
  C           1.10950600000000     -1.66049000000000     -0.11189800000000
  H           0.54725800000000     -1.63514300000000     -1.04534000000000
  C           0.46963200000000     -1.65103200000000      1.08649000000000
  H          -0.61981600000000     -1.61936200000000      1.10128900000000
  C          -3.21697900000000     -3.92086300000000     10.22238700000000
  C          -3.76097000000000      0.63636300000000     10.24043500000000
  Zn         16.30640600000000     -1.58266700000000      8.25371100000000
  S          16.35610800000000     -5.01902900000000     11.39262000000000
  S          15.41586600000000      1.58023500000000     11.47798700000000
  N          14.85993900000000     -1.59158400000000      6.86004500000000
  N          15.21999000000000     -1.67400100000000      5.53893100000000
  N          13.04794200000000     -1.59023300000000      5.68331500000000
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  N          19.20599200000000     -1.85910000000000      7.90682900000000
  N          19.67249300000000     -1.79965200000000      5.76453100000000
  N          20.50139400000000     -1.77398100000000      4.64375000000000
  N          16.34319400000000     -3.16560400000000      9.35066900000000
  N          16.11620500000000     -0.01486200000000      9.34164500000000
  O          10.48238200000000     -1.71453300000000      1.68207400000000
  H          10.11970900000000     -1.79439600000000      0.80766600000000
  O          22.88066700000000     -1.73074600000000      3.35512300000000
  H          22.32344800000000     -1.70884500000000      4.12423900000000
  C          14.10461400000000     -1.68210700000000      4.87115500000000
  H          14.03808300000000     -1.75497100000000      3.78562200000000
  C          13.55671000000000     -1.54024300000000      6.91238400000000
  H          12.96984700000000     -1.46585200000000      7.82790500000000
  C          11.28682200000000     -1.54834900000000      4.25571800000000
  H          12.03179600000000     -1.51353200000000      3.46079400000000
  C           9.85444500000000     -1.55105100000000      3.92002600000000
  C           9.48656600000000     -1.64968100000000      2.57364500000000
  C           8.14224500000000     -1.67535200000000      2.21990400000000
  H           7.84653300000000     -1.74816200000000      1.17331900000000
  C           7.19906700000000     -1.61049900000000      3.19991000000000
  H           6.14419500000000     -1.64058800000000      2.92706100000000
  C           7.54346400000000     -1.50781600000000      4.52643800000000
  H           6.76483400000000     -1.44773300000000      5.28683700000000
  C           8.87408800000000     -1.47809200000000      4.90183700000000
  H           9.14941000000000     -1.39889200000000      5.95351200000000
  C          20.15895400000000     -1.91584600000000      7.01164800000000
  H          21.21586000000000     -2.04117300000000      7.24686800000000
  C          18.34304300000000     -1.67264900000000      5.91793900000000
  H          17.62775500000000     -1.55551000000000      5.10384800000000
  C          19.94174900000000     -1.72669300000000      3.51214100000000
  H          18.85325900000000     -1.72035600000000      3.45494700000000
  C          20.72055500000000     -1.68210700000000      2.28126700000000
  C          22.11966700000000     -1.72939500000000      2.25419500000000
  C          22.79085000000000     -1.75101300000000      1.03234600000000
  H          23.87890900000000     -1.80794800000000      1.00065300000000
  C          22.06879000000000     -1.70237300000000     -0.11911700000000
  H          22.59444600000000     -1.69444300000000     -1.07396400000000
  C          20.67750600000000     -1.66049000000000     -0.11189800000000
  H          20.11525800000000     -1.63514300000000     -1.04534000000000
  C          20.03763200000000     -1.65103200000000      1.08649000000000
  H          18.94818400000000     -1.61936200000000      1.10128900000000
  C          16.35102100000000     -3.92086300000000     10.22238700000000
  C          15.80703000000000      0.63636300000000     10.24043500000000
  Zn          6.52240600000000      1.58266700000000      0.77028900000000
  S           6.57210800000000      5.01902900000000     -2.36862000000000
  S           5.63186600000000     -1.58023500000000     -2.45398700000000
  N           5.07593900000000      1.59158400000000      2.16395500000000
  N           5.43599000000000      1.67400100000000      3.48506900000000
  N           3.26394200000000      1.59023300000000      3.34068500000000
  N           1.87167900000000      1.58618000000000      3.55726100000000
  N           8.24791200000000      1.70777800000000      1.82826200000000
  N           9.42199200000000      1.85910000000000      1.11717100000000
  N           9.88849300000000      1.79965200000000      3.25946900000000
  N          10.71739400000000      1.77398100000000      4.38025000000000
  N           6.55919400000000      3.16560400000000     -0.32666900000000
  N           6.33220500000000      0.01486200000000     -0.31764500000000
  O           0.69838200000000      1.71453300000000      7.34192600000000
  H           0.33570900000000      1.79439600000000      8.21633400000000
  O          13.09666700000000      1.73074600000000      5.66887700000000
  H          12.53944800000000      1.70884500000000      4.89976100000000
  C           4.32061400000000      1.68210700000000      4.15284500000000
  H           4.25408300000000      1.75497100000000      5.23837800000000
  C           3.77271000000000      1.54024300000000      2.11161600000000
  H           3.18584700000000      1.46585200000000      1.19609500000000
  C           1.50282200000000      1.54834900000000      4.76828200000000
  H           2.24779600000000      1.51353200000000      5.56320600000000
  C           0.07044500000000      1.55105100000000      5.10397400000000
  C          -0.29743400000000      1.64968100000000      6.45035500000000
  C          -1.64175500000000      1.67535200000000      6.80409600000000
  H          -1.93746700000000      1.74816200000000      7.85068100000000
  C          -2.58493300000000      1.61049900000000      5.82409000000000
  H          -3.63980500000000      1.64058800000000      6.09693900000000
  C          -2.24053600000000      1.50781600000000      4.49756200000000
  H          -3.01916600000000      1.44773300000000      3.73716300000000
  C          -0.90991200000000      1.47809200000000      4.12216300000000
  H          -0.63459000000000      1.39889200000000      3.07048800000000
  C          10.37495400000000      1.91584600000000      2.01235200000000
  H          11.43186000000000      2.04117300000000      1.77713200000000
  C           8.55904300000000      1.67264900000000      3.10606100000000
  H           7.84375500000000      1.55551000000000      3.92015200000000
  C          10.15774900000000      1.72669300000000      5.51185900000000
  H           9.06925900000000      1.72035600000000      5.56905300000000
  C          10.93655500000000      1.68210700000000      6.74273300000000
  C          12.33566700000000      1.72939500000000      6.76980500000000
  C          13.00685000000000      1.75101300000000      7.99165400000000
  H          14.09490900000000      1.80794800000000      8.02334700000000
  C          12.28479000000000      1.70237300000000      9.14311700000000
  H          12.81044600000000      1.69444300000000     10.09796400000000
  C          10.89350600000000      1.66049000000000      9.13589800000000
  H          10.33125800000000      1.63514300000000     10.06934000000000
  C          10.25363200000000      1.65103200000000      7.93751000000000
  H           9.16418400000000      1.61936200000000      7.92271100000000
  C           6.56702100000000      3.92086300000000     -1.19838700000000
  C           6.02303000000000     -0.63636300000000     -1.21643500000000
  Zn          6.52240600000000      1.58266700000000     18.81828900000000
  S           6.57210800000000      5.01902900000000     15.67938000000000
  S           5.63186600000000     -1.58023500000000     15.59401300000000
  N           5.07593900000000      1.59158400000000     20.21195500000000
  N           5.43599000000000      1.67400100000000     21.53306900000000
  N           3.26394200000000      1.59023300000000     21.38868500000000
  N           1.87167900000000      1.58618000000000     21.60526100000000
  N           8.24791200000000      1.70777800000000     19.87626200000000
  N           9.42199200000000      1.85910000000000     19.16517100000000
  N           9.88849300000000      1.79965200000000     21.30746900000000
  N          10.71739400000000      1.77398100000000     22.42824999999999
  N           6.55919400000000      3.16560400000000     17.72133100000000
  N           6.33220500000000      0.01486200000000     17.73035500000000
  O           0.69838200000000      1.71453300000000     25.38992600000000
  H           0.33570900000000      1.79439600000000     26.26433400000000
  O          13.09666700000000      1.73074600000000     23.71687700000000
  H          12.53944800000000      1.70884500000000     22.94776100000000
  C           4.32061400000000      1.68210700000000     22.20084500000000
  H           4.25408300000000      1.75497100000000     23.28637800000000
  C           3.77271000000000      1.54024300000000     20.15961600000000
  H           3.18584700000000      1.46585200000000     19.24409500000000
  C           1.50282200000000      1.54834900000000     22.81628200000000
  H           2.24779600000000      1.51353200000000     23.61120600000000
  C           0.07044500000000      1.55105100000000     23.15197400000000
  C          -0.29743400000000      1.64968100000000     24.49835500000000
  C          -1.64175500000000      1.67535200000000     24.85209600000000
  H          -1.93746700000000      1.74816200000000     25.89868100000000
  C          -2.58493300000000      1.61049900000000     23.87209000000000
  H          -3.63980500000000      1.64058800000000     24.14493900000000
  C          -2.24053600000000      1.50781600000000     22.54556200000000
  H          -3.01916600000000      1.44773300000000     21.78516300000000
  C          -0.90991200000000      1.47809200000000     22.17016300000000
  H          -0.63459000000000      1.39889200000000     21.11848800000000
  C          10.37495400000000      1.91584600000000     20.06035200000000
  H          11.43186000000000      2.04117300000000     19.82513200000000
  C           8.55904300000000      1.67264900000000     21.15406100000000
  H           7.84375500000000      1.55551000000000     21.96815200000000
  C          10.15774900000000      1.72669300000000     23.55985900000000
  H           9.06925900000000      1.72035600000000     23.61705300000000
  C          10.93655500000000      1.68210700000000     24.79073300000000
  C          12.33566700000000      1.72939500000000     24.81780500000000
  C          13.00685000000000      1.75101300000000     26.03965400000000
  H          14.09490900000000      1.80794800000000     26.07134700000000
  C          12.28479000000000      1.70237300000000     27.19111699999999
  H          12.81044600000000      1.69444300000000     28.14596400000000
  C          10.89350600000000      1.66049000000000     27.18389800000000
  H          10.33125800000000      1.63514300000000     28.11734000000000
  C          10.25363200000000      1.65103200000000     25.98551000000000
  H           9.16418400000000      1.61936200000000     25.97071100000000
  C           6.56702100000000      3.92086300000000     16.84961300000000
  C           6.02303000000000     -0.63636300000000     16.83156500000000
  Zn          3.26159400000000      5.17278300000000      0.77028900000000
  S           3.21189200000000      1.73642100000000     -2.36862000000000
  S           4.15213400000000      8.33568500000000     -2.45398700000000
  N           4.70806100000000      5.16386600000000      2.16395500000000
  N           4.34801000000000      5.08144900000000      3.48506900000000
  N           6.52005800000000      5.16521700000000      3.34068500000000
  N           7.91232100000000      5.16927000000000      3.55726100000000
  N           1.53608800000000      5.04767200000000      1.82826200000000
  N           0.36200800000000      4.89635000000000      1.11717100000000
  N          -0.10449300000000      4.95579800000000      3.25946900000000
  N          -0.93339400000000      4.98146900000000      4.38025000000000
  N           3.22480600000000      3.58984600000000     -0.32666900000000
  N           3.45179500000000      6.74058800000000     -0.31764500000000
  O           9.08561800000000      5.04091700000000      7.34192600000000
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  O          -3.31266700000000      5.02470400000000      5.66887700000000
  H          -2.75544800000000      5.04660500000000      4.89976100000000
  C           5.46338600000000      5.07334300000000      4.15284500000000
  H           5.52991700000000      5.00047900000000      5.23837800000000
  C           6.01129000000000      5.21520700000000      2.11161600000000
  H           6.59815300000000      5.28959800000000      1.19609500000000
  C           8.28117800000000      5.20710100000000      4.76828200000000
  H           7.53620400000000      5.24191800000000      5.56320600000000
  C           9.71355500000000      5.20439900000000      5.10397400000000
  C          10.08143400000000      5.10576900000000      6.45035500000000
  C          11.42575500000000      5.08009800000000      6.80409600000000
  H          11.72146700000000      5.00728800000000      7.85068100000000
  C          12.36893300000000      5.14495100000000      5.82409000000000
  H          13.42380500000000      5.11486200000000      6.09693900000000
  C          12.02453600000000      5.24763400000000      4.49756200000000
  H          12.80316600000000      5.30771700000000      3.73716300000000
  C          10.69391200000000      5.27735800000000      4.12216300000000
  H          10.41859000000000      5.35655800000000      3.07048800000000
  C          -0.59095400000000      4.83960400000000      2.01235200000000
  H          -1.64786000000000      4.71427700000000      1.77713200000000
  C           1.22495700000000      5.08280100000000      3.10606100000000
  H           1.94024500000000      5.19994000000000      3.92015200000000
  C          -0.37374900000000      5.02875700000000      5.51185900000000
  H           0.71474100000000      5.03509400000000      5.56905300000000
  C          -1.15255500000000      5.07334300000000      6.74273300000000
  C          -2.55166700000000      5.02605500000000      6.76980500000000
  C          -3.22285000000000      5.00443700000000      7.99165400000000
  H          -4.31090900000000      4.94750200000000      8.02334700000000
  C          -2.50079000000000      5.05307700000000      9.14311700000000
  H          -3.02644600000000      5.06100700000000     10.09796400000000
  C          -1.10950600000000      5.09496000000000      9.13589800000000
  H          -0.54725800000000      5.12030700000000     10.06934000000000
  C          -0.46963200000000      5.10441800000000      7.93751000000000
  H           0.61981600000000      5.13608800000000      7.92271100000000
  C           3.21697900000000      2.83458700000000     -1.19838700000000
  C           3.76097000000000      7.39181300000000     -1.21643500000000
  Zn          3.26159400000000      5.17278300000000     18.81828900000000
  S           3.21189200000000      1.73642100000000     15.67938000000000
  S           4.15213400000000      8.33568500000000     15.59401300000000
  N           4.70806100000000      5.16386600000000     20.21195500000000
  N           4.34801000000000      5.08144900000000     21.53306900000000
  N           6.52005800000000      5.16521700000000     21.38868500000000
  N           7.91232100000000      5.16927000000000     21.60526100000000
  N           1.53608800000000      5.04767200000000     19.87626200000000
  N           0.36200800000000      4.89635000000000     19.16517100000000
  N          -0.10449300000000      4.95579800000000     21.30746900000000
  N          -0.93339400000000      4.98146900000000     22.42824999999999
  N           3.22480600000000      3.58984600000000     17.72133100000000
  N           3.45179500000000      6.74058800000000     17.73035500000000
  O           9.08561800000000      5.04091700000000     25.38992600000000
  H           9.44829100000000      4.96105400000000     26.26433400000000
  O          -3.31266700000000      5.02470400000000     23.71687700000000
  H          -2.75544800000000      5.04660500000000     22.94776100000000
  C           5.46338600000000      5.07334300000000     22.20084500000000
  H           5.52991700000000      5.00047900000000     23.28637800000000
  C           6.01129000000000      5.21520700000000     20.15961600000000
  H           6.59815300000000      5.28959800000000     19.24409500000000
  C           8.28117800000000      5.20710100000000     22.81628200000000
  H           7.53620400000000      5.24191800000000     23.61120600000000
  C           9.71355500000000      5.20439900000000     23.15197400000000
  C          10.08143400000000      5.10576900000000     24.49835500000000
  C          11.42575500000000      5.08009800000000     24.85209600000000
  H          11.72146700000000      5.00728800000000     25.89868100000000
  C          12.36893300000000      5.14495100000000     23.87209000000000
  H          13.42380500000000      5.11486200000000     24.14493900000000
  C          12.02453600000000      5.24763400000000     22.54556200000000
  H          12.80316600000000      5.30771700000000     21.78516300000000
  C          10.69391200000000      5.27735800000000     22.17016300000000
  H          10.41859000000000      5.35655800000000     21.11848800000000
  C          -0.59095400000000      4.83960400000000     20.06035200000000
  H          -1.64786000000000      4.71427700000000     19.82513200000000
  C           1.22495700000000      5.08280100000000     21.15406100000000
  H           1.94024500000000      5.19994000000000     21.96815200000000
  C          -0.37374900000000      5.02875700000000     23.55985900000000
  H           0.71474100000000      5.03509400000000     23.61705300000000
  C          -1.15255500000000      5.07334300000000     24.79073300000000
  C          -2.55166700000000      5.02605500000000     24.81780500000000
  C          -3.22285000000000      5.00443700000000     26.03965400000000
  H          -4.31090900000000      4.94750200000000     26.07134700000000
  C          -2.50079000000000      5.05307700000000     27.19111699999999
  H          -3.02644600000000      5.06100700000000     28.14596400000000
  C          -1.10950600000000      5.09496000000000     27.18389800000000
  H          -0.54725800000000      5.12030700000000     28.11734000000000
  C          -0.46963200000000      5.10441800000000     25.98551000000000
  H           0.61981600000000      5.13608800000000     25.97071100000000
  C           3.21697900000000      2.83458700000000     16.84961300000000
  C           3.76097000000000      7.39181300000000     16.83156500000000
