260
3a.H2O; Picture 1
Cu   -2.17530    0.62340   17.92455
 N   -0.73496    1.82365   17.40723
 N   -1.60576    0.93282   19.75443
 C   -3.65311   -0.54325   18.13707
 C   -3.55625   -0.34489   16.91307
 C   -0.32090    2.21859   16.21695
 C   -0.07429    2.28560   18.51116
 C   -0.51310    1.80489   19.79538
 C   -2.20798    0.47356   20.85262
 C   -3.94837   -0.97839   19.46872
 C   -3.92369   -0.53432   15.53399
 H   -0.75157    1.87548   15.46766
 C    0.71170    3.11031   16.01999
 C    1.00699    3.18447   18.39221
 C    0.20385    2.22841   20.89598
 O   -1.92133    0.78718   22.03141
 C   -3.28834   -0.52806   20.66400
Fe   -5.29752   -0.18406   20.76665
 C   -4.91529   -1.95500   19.84781
 C   -4.91306   -1.45553   15.20066
 C   -3.32441    0.15100   14.49602
 H    0.95642    3.36943   15.16008
 C    1.36237    3.59906   17.09262
 C    1.66690    3.60621   19.55506
 H   -0.02744    1.91837   21.74143
 C    1.28345    3.12639   20.75201
 C   -3.87105   -1.24377   21.74533
 C   -4.84327   -2.11672   21.24672
 C   -5.55130    1.80132   20.91321
 C   -6.32410    1.32597   19.87561
 C   -7.20766    0.38332   20.36476
 C   -7.01571    0.29396   21.73402
 C   -5.99817    1.15888   22.08977
 H   -5.49203   -2.40533   19.27528
 H   -5.34182   -1.93624   15.87158
 C   -5.25819   -1.65746   13.89458
 C   -3.71201   -0.08220   13.18772
 H   -2.65662    0.77289   14.67649
 H    2.04925    4.21469   16.97589
 H    2.36752    4.21558   19.49948
 H    1.74726    3.39534   21.51168
 H   -3.64165   -1.14727   22.64192
 H   -5.35667   -2.70465   21.75255
 H   -4.86485    2.42588   20.85206
 H   -6.26101    1.59670   18.98809
 H   -7.82162   -0.10365   19.86449
 H   -7.48931   -0.25554   22.31397
 H   -5.66831    1.29380   22.94950
 H   -5.91420   -2.28828   13.70003
 C   -4.68049   -0.96856   12.86180
 H   -3.28961    0.38957   12.50679
 C   -5.07892   -1.22768   11.45622
 H   -4.47552   -1.54935   10.82625
 H   -5.25105   -2.09885   11.18015
 C   -6.44148   -0.95695   11.12085
 C   -5.20390   -0.14207   10.51312
 H   -7.01206   -1.58241   11.57295
 H   -6.55969   -1.04273   10.17219
 H   -6.66580   -0.06344   11.39322
 H   -5.81404    0.51287   10.85775
 H   -5.53470   -0.48071    9.67748
 H   -4.34406    0.26269   10.37600
Cu    5.69689    5.09095    9.86832
 N    4.25655    6.29120   10.38564
 N    5.12735    5.40037    8.03844
 C    7.17470    3.92430    9.65580
 C    7.07784    4.12266   10.87980
 C    3.84249    6.68614   11.57592
 C    3.59588    6.75315    9.28171
 C    4.03469    6.27244    7.99749
 C    5.72958    4.94111    6.94025
 C    7.46996    3.48916    8.32415
 C    7.44528    3.93323   12.25888
 H    4.27316    6.34303   12.32521
 C    2.80990    7.57786   11.77287
 C    2.51460    7.65202    9.40066
 C    3.31774    6.69596    6.89689
 O    5.44292    5.25473    5.76146
 C    6.80993    3.93949    7.12887
Fe    8.81912    4.28349    7.02622
 C    8.43689    2.51255    7.94505
 C    8.43466    3.01202   12.59221
 C    6.84600    4.61855   13.29685
 H    2.56517    7.83698   12.63279
 C    2.15922    8.06661   10.70025
 C    1.85469    8.07376    8.23781
 H    3.54903    6.38592    6.05144
 C    2.23814    7.59394    7.04086
 C    7.39265    3.22378    6.04754
 C    8.36486    2.35083    6.54615
 C    9.07289    6.26887    6.87966
 C    9.84569    5.79352    7.91726
 C   10.72925    4.85087    7.42811
 C   10.53730    4.76151    6.05885
 C    9.51976    5.62643    5.70310
 H    9.01362    2.06222    8.51759
 H    8.86341    2.53131   11.92129
 C    8.77978    2.81009   13.89829
 C    7.23360    4.38535   14.60515
 H    6.17821    5.24044   13.11638
 H    1.47234    8.68224   10.81698
 H    1.15407    8.68313    8.29339
 H    1.77434    7.86289    6.28119
 H    7.16324    3.32028    5.15095
 H    8.87827    1.76289    6.04032
 H    8.38644    6.89343    6.94080
 H    9.78261    6.06425    8.80478
 H   11.34321    4.36390    7.92838
 H   11.01090    4.21201    5.47890
 H    9.18990    5.76135    4.84337
 H    9.43579    2.17927   14.09284
 C    8.20209    3.49899   14.93107
 H    6.81120    4.85712   15.28608
 C    8.60051    3.23987   16.33665
 H    7.99711    2.91820   16.96662
 H    8.77264    2.36870   16.61272
 C    9.96307    3.51060   16.67201
 C    8.72550    4.32548   17.27975
 H   10.53366    2.88514   16.21992
 H   10.08128    3.42482   17.62068
 H   10.18739    4.40411   16.39965
 H    9.33563    4.98042   16.93512
 H    9.05629    3.98684   18.11539
 H    7.86565    4.73024   17.41687
Cu    9.51006    8.31170    0.60403
 N    8.06972    7.11145    1.12135
 N    8.94052    8.00228   -1.22585
 C   10.98787    9.47835    0.39151
 C   10.89101    9.27999    1.61551
 C    7.65566    6.71651    2.31163
 C    7.40905    6.64950    0.01742
 C    7.84786    7.13021   -1.26680
 C    9.54275    8.46154   -2.32404
 C   11.28313    9.91349   -0.94014
 C   11.25845    9.46942    2.99459
 H    8.08633    7.05962    3.06092
 C    6.62306    5.82479    2.50859
 C    6.32777    5.75063    0.13637
 C    7.13091    6.70669   -2.36740
 O    9.25609    8.14792   -3.50283
 C   10.62310    9.46316   -2.13542
Fe   12.63229    9.11916   -2.23807
 C   12.25006   10.89010   -1.31924
 C   12.24783   10.39063    3.32792
 C   10.65917    8.78410    4.03256
 H    6.37834    5.56567    3.36850
 C    5.97239    5.33604    1.43596
 C    5.66786    5.32889   -1.02648
 H    7.36220    7.01673   -3.21286
 C    6.05131    5.80871   -2.22343
 C   11.20581   10.17887   -3.21675
 C   12.17803   11.05182   -2.71814
 C   12.88606    7.13378   -2.38463
 C   13.65886    7.60913   -1.34703
 C   14.54242    8.55178   -1.83618
 C   14.35047    8.64114   -3.20544
 C   13.33293    7.77622   -3.56119
 H   12.82679   11.34043   -0.74670
 H   12.67658   10.87134    2.65700
 C   12.59295   10.59256    4.63400
 C   11.04677    9.01730    5.34086
 H    9.99138    8.16221    3.85209
 H    5.28551    4.72041    1.55269
 H    4.96724    4.71952   -0.97090
 H    5.58750    5.53976   -2.98310
 H   10.97641   10.08237   -4.11334
 H   12.69143   11.63975   -3.22397
 H   12.19961    6.50922   -2.32348
 H   13.59577    7.33840   -0.45951
 H   15.15638    9.03875   -1.33591
 H   14.82407    9.19064   -3.78539
 H   13.00307    7.64130   -4.42092
 H   13.24896   11.22338    4.82855
 C   12.01525    9.90366    5.66678
 H   10.62437    8.54553    6.02179
 C   12.41368   10.16278    7.07236
 H   11.81028   10.48445    7.70233
 H   12.58581   11.03395    7.34843
 C   13.77624    9.89205    7.40773
 C   12.53866    9.07717    8.01546
 H   14.34683   10.51751    6.95563
 H   13.89445    9.97783    8.35639
 H   14.00056    8.99854    7.13536
 H   13.14880    8.42222    7.67083
 H   12.86946    9.41581    8.85110
 H   11.67882    8.67241    8.15258
Cu    1.63787    3.84415    8.66026
 N    3.07821    2.64390    8.14294
 N    2.20741    3.53473   10.49014
 C    0.16006    5.01080    8.87278
 C    0.25692    4.81244    7.64878
 C    3.49227    2.24896    6.95266
 C    3.73888    2.18195    9.24687
 C    3.30007    2.66266   10.53109
 C    1.60518    3.99399   11.58833
 C   -0.13520    5.44594   10.20443
 C   -0.11052    5.00187    6.26970
 H    3.06160    2.59207    6.20337
 C    4.52487    1.35724    6.75570
 C    4.82016    1.28308    9.12792
 C    4.01702    2.23914   11.63169
 O    1.89184    3.68037   12.76712
 C    0.52483    4.99561   11.39971
Fe   -1.48435    4.65161   11.50236
 C   -1.10213    6.42255   10.58352
 C   -1.09990    5.92308    5.93637
 C    0.48876    4.31655    5.23173
 H    4.76959    1.09812    5.89579
 C    5.17554    0.86849    7.82833
 C    5.48007    0.86134   10.29077
 H    3.78573    2.54918   12.47715
 C    5.09662    1.34116   11.48772
 C   -0.05788    5.71132   12.48104
 C   -1.03010    6.58427   11.98243
 C   -1.73813    2.66623   11.64892
 C   -2.51093    3.14158   10.61132
 C   -3.39449    4.08423   11.10047
 C   -3.20254    4.17359   12.46973
 C   -2.18500    3.30867   12.82548
 H   -1.67886    6.87288   10.01099
 H   -1.52865    6.40379    6.60729
 C   -1.44502    6.12501    4.63029
 C    0.10116    4.54975    3.92343
 H    1.15655    3.69466    5.41220
 H    5.86242    0.25286    7.71160
 H    6.18069    0.25197   10.23519
 H    5.56043    1.07221   12.24739
 H    0.17152    5.61482   13.37764
 H   -1.54350    7.17220   12.48826
 H   -1.05168    2.04167   11.58777
 H   -2.44784    2.87085    9.72380
 H   -4.00845    4.57120   10.60020
 H   -3.67614    4.72309   13.04968
 H   -1.85514    3.17375   13.68521
 H   -2.10103    6.75583    4.43574
 C   -0.86732    5.43611    3.59751
 H    0.52356    4.07798    3.24250
 C   -1.26575    5.69523    2.19193
 H   -0.66235    6.01690    1.56196
 H   -1.43788    6.56640    1.91586
 C   -2.62831    5.42450    1.85656
 C   -1.39073    4.60962    1.24883
 H   -3.19890    6.04996    2.30866
 H   -2.74652    5.51028    0.90790
 H   -2.85263    4.53099    2.12893
 H   -2.00087    3.95468    1.59346
 H   -1.72153    4.94826    0.41319
 H   -0.53089    4.20486    1.11171
 O    4.33363    3.46056    3.86969
 H    4.86749    2.81634    3.72054
 H    4.68920    4.00292    4.41907
 O    6.81430    7.92811    5.39460
 H    6.28044    7.28389    5.54375
 H    6.45873    8.47047    4.84522
 O    3.00113    5.47454   14.65889
 H    2.46727    6.11876   14.80804
 H    2.64556    4.93217   14.10951
 O    0.52046    1.00699   13.13398
 H    1.05432    1.65121   12.98483
 H    0.87603    0.46463   13.68336
