The atomic coordinates of the optimized computational models

cuo_adsoprtion_1                   
   1.0000000000000000     
    17.2973003387000013    0.0000000000000000    0.0000000000000000
    -5.7788967649999998   18.0456707714000011    0.0000000000000000
     0.0000000000000000    0.0000000000000000   28.2558002471999998
   Cu   O    C    N    H 
   144   144     7     1     7
Direct
  0.1182399988131735  0.0501599982326297  0.0887499973124477  
  0.2849000096560346  0.0501599982326297  0.0887499973124477  
  0.2849000096251473  0.2168200016261537  0.0887499973124477  
  0.1182399988400960  0.2168200016261537  0.0887499973124477  
  0.4515700041955810  0.0501599982326297  0.0887499973124477  
  0.6182399987929372  0.0501599982326297  0.0887499973124477  
  0.6182399988198597  0.2168200016261537  0.0887499973124477  
  0.4515700042225035  0.2168200016261537  0.0887499973124477  
  0.7849000096357983  0.0501599982326297  0.0887499973124477  
  0.9515699147972327  0.0501599982326297  0.0887499973124477  
  0.9515699744288355  0.2168200016261537  0.0887499973124477  
  0.7849000096627279  0.2168200016261537  0.0887499973124477  
  0.1182399987989911  0.3834899961694873  0.0887499973124477  
  0.2849000096418592  0.3834899961694873  0.0887499973124477  
  0.2849000096192640  0.5501599907682362  0.0887499973124477  
  0.1182399988342127  0.5501599907682362  0.0887499973124477  
  0.4515700042392155  0.3834899961694873  0.0887499973124477  
  0.6182399988365717  0.3834899961694873  0.0887499973124477  
  0.6182399988139835  0.5501599907682362  0.0887499973124477  
  0.4515700042166273  0.5501599907682362  0.0887499973124477  
  0.7849000096216230  0.3834899961694873  0.0887499973124477  
  0.9515699744455475  0.3834899961694873  0.0887499973124477  
  0.9515699744229593  0.5501599907682362  0.0887499973124477  
  0.7849000096568446  0.5501599907682362  0.0887499973124477  
  0.1182399839404198  0.7168200015873651  0.0887499973124477  
  0.2849000096410919  0.7168200015873651  0.0887499973124477  
  0.2849000096351375  0.8834900259993574  0.0887499973124477  
  0.1182399987922693  0.8834900259993574  0.0887499973124477  
  0.4515700042384481  0.7168200015873651  0.0887499973124477  
  0.6182399988358114  0.7168200015873651  0.0887499973124477  
  0.6182399988298499  0.8834900259993574  0.0887499973124477  
  0.4515700042324937  0.8834900259993574  0.0887499973124477  
  0.7849000096208556  0.7168200015873651  0.0887499973124477  
  0.9515699744447872  0.7168200015873651  0.0887499973124477  
  0.9515699744388257  0.8834900259993574  0.0887499973124477  
  0.7849000096149013  0.8834900259993574  0.0887499973124477  
  0.0130299990848215  0.1310600042503438  0.1741700023338666  
  0.1796900033948745  0.1310600042503438  0.1741700023338666  
  0.1796900034300961  0.2977299988490927  0.1741700023338666  
  0.0130299953622384  0.2977299988490927  0.1741700023338666  
  0.3463599979922307  0.1310600042503438  0.1741700023338666  
  0.5130299925895940  0.1310600042503438  0.1741700023338666  
  0.5130299925669988  0.2977299988490927  0.1741700023338666  
  0.3463599979696426  0.2977299988490927  0.1741700023338666  
  0.6796900033746454  0.1310600042503438  0.1741700023338666  
  0.8463600278032430  0.1310600042503438  0.1741700023338666  
  0.8463600277806549  0.2977299988490927  0.1741700023338666  
  0.6796900034098670  0.2977299988490927  0.1741700023338666  
  0.0130299925646469  0.4643999934478344  0.1741700023338666  
  0.1796900034075080  0.4643999934478344  0.1741700023338666  
  0.1796900034108262  0.6310600042115553  0.1741700023338666  
  0.0130300037257740  0.6310600042115553  0.1741700023338666  
  0.3463599980048713  0.4643999934478344  0.1741700023338666  
  0.5130299926022275  0.4643999934478344  0.1741700023338666  
  0.5130299925477289  0.6310600042115553  0.1741700023338666  
  0.3463599980081824  0.6310600042115553  0.1741700023338666  
  0.6796900033872788  0.4643999934478344  0.1741700023338666  
  0.8463600278158765  0.4643999934478344  0.1741700023338666  
  0.8463600277613779  0.6310600042115553  0.1741700023338666  
  0.6796900033905899  0.6310600042115553  0.1741700023338666  
  0.0130300167854358  0.7977300286235476  0.1741700023338666  
  0.1796900034048647  0.7977300286235476  0.1741700023338666  
  0.1796899884930880  0.9643999338379743  0.1741700023338666  
  0.0130299935486562  0.9643999338379743  0.1741700023338666  
  0.3463599980022209  0.7977300286235476  0.1741700023338666  
  0.5130299925995772  0.7977300286235476  0.1741700023338666  
  0.5130299926034212  0.9643999338379743  0.1741700023338666  
  0.3463599980060650  0.9643999338379743  0.1741700023338666  
  0.6796900033846285  0.7977300286235476  0.1741700023338666  
  0.8463600278132333  0.7977300286235476  0.1741700023338666  
  0.8463600278170773  0.9643999338379743  0.1741700023338666  
  0.6796900033884725  0.9643999338379743  0.1741700023338666  
  0.2411500215706184  0.2119700014732828  0.2595799863331365  
  0.0744799971420136  0.2119700014732828  0.2595799863331365  
  0.0744799971599619  0.0453100018479731  0.2595799863331365  
  0.2411500066729388  0.0453100018479731  0.2595799863331365  
  0.5744799971795942  0.2119700014732828  0.2595799863331365  
  0.4078199863367331  0.2119700014732828  0.2595799863331365  
  0.4078199863546743  0.0453100018479731  0.2595799863331365  
  0.5744799971975425  0.0453100018479731  0.2595799863331365  
  0.9078199863743137  0.2119700014732828  0.2595799863331365  
  0.7411500215503821  0.2119700014732828  0.2595799863331365  
  0.7411500215683304  0.0453100018479731  0.2595799863331365  
  0.9078199863344452  0.0453100018479731  0.2595799863331365  
  0.2411500066657482  0.5453100204286017  0.2595799863331365  
  0.0744800046105780  0.5453100204286017  0.2595799863331365  
  0.0744799971772423  0.3786399960720246  0.2595799863331365  
  0.2411500066324095  0.3786399960720246  0.2595799863331365  
  0.5744799971325349  0.5453100204286017  0.2595799863331365  
  0.4078199863474836  0.5453100204286017  0.2595799863331365  
  0.4078199863719547  0.3786399960720246  0.2595799863331365  
  0.5744799971570060  0.3786399960720246  0.2595799863331365  
  0.9078199863272474  0.5453100204286017  0.2595799863331365  
  0.7411500215611326  0.5453100204286017  0.2595799863331365  
  0.7411500215856108  0.3786399960720246  0.2595799863331365  
  0.9078199863517185  0.3786399960720246  0.2595799863331365  
  0.2411500066483541  0.8786399960332361  0.2595799863331365  
  0.0744799896775632  0.8786399960332361  0.2595799863331365  
  0.0744799897020343  0.7119699716766590  0.2595799863331365  
  0.2411500066728252  0.7119699716766590  0.2595799863331365  
  0.5744799971729506  0.8786399960332361  0.2595799863331365  
  0.4078199863300895  0.8786399960332361  0.2595799863331365  
  0.4078199863545606  0.7119699716766590  0.2595799863331365  
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  0.9078199863676701  0.8786399960332361  0.2595799863331365  
  0.7411500215437457  0.8786399960332361  0.2595799863331365  
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  0.9078199863343244  0.7119699716766590  0.2595799863331365  
  0.1346414962138429  0.2906550627603839  0.3484397544172096  
  0.3009418759948709  0.2904380382000573  0.3478960215386223  
  0.3017640739348917  0.1302129244763348  0.3439328339324439  
  0.1361361309451349  0.1290351451115637  0.3434002233803142  
  0.4674674614661313  0.2900946498173176  0.3482524830132015  
  0.6349599327299051  0.2908347705485738  0.3485374363454496  
  0.6368262811625033  0.1292052970292616  0.3437064615255515  
  0.4700940821788611  0.1291017377161704  0.3436942488183561  
  0.8018545405411187  0.2908315047181571  0.3486115959244532  
  0.9690122201685112  0.2910138601672486  0.3487935839379045  
  0.9703978431473963  0.1299701479767421  0.3436939588189256  
  0.8036548098322646  0.1295449633012183  0.3436907830240863  
  0.1368319242285387  0.6237311751058920  0.3486883054516706  
  0.3030073819766486  0.6241493855500659  0.3479085127139444  
  0.3006766348445889  0.4621917968193371  0.3441875771151004  
  0.1372483384382901  0.4624510358684686  0.3437285043860754  
  0.4701711186657506  0.6254689025377610  0.3462988086738984  
  0.6378603940564216  0.6260381251912452  0.3470745539728124  
  0.6368951251668648  0.4626526289059140  0.3435015530876733  
  0.4666648938767851  0.4603276154236113  0.3456342313609624  
  0.8026222560021528  0.6238025654548890  0.3488327737614184  
  0.9697183357648326  0.6236649543737980  0.3486412220858531  
  0.9706241219052516  0.4624605996985810  0.3436347562983419  
  0.8036577884450548  0.4624733531643615  0.3436774745075427  
  0.1353262159512025  0.9572903699019581  0.3486431987788439  
  0.3024129751467956  0.9573321594347276  0.3484768410755065  
  0.3036500956124647  0.7956292139227793  0.3436017178600732  
  0.1374293992289530  0.7957302131576042  0.3436001681039684  
  0.4692925991903238  0.9575615415981820  0.3489695867457748  
  0.6360838918217435  0.9577386102257979  0.3487869164265098  
  0.6375819566654701  0.7972133569027559  0.3435470179564262  
  0.4705508164985479  0.7976662771274025  0.3436639021731990  
  0.8036361158392653  0.9581976607982046  0.3487417811775871  
  0.9694157309014378  0.9573311277443314  0.3487471025645827  
  0.9709014389523822  0.7953739476382725  0.3436140389984387  
  0.8037866502697248  0.7972767196200866  0.3436509828775103  
  0.0570399984596932  0.1164699941955618  0.0707800015750095  
  0.2237000018447475  0.1164699941955618  0.0707800015750095  
  0.3903700113577244  0.1164699941955618  0.0707800015750095  
  0.5570399761238392  0.1164699941955618  0.0707800015750095  
  0.7236999869667002  0.1164699941955618  0.0707800015750095  
  0.8903700113374882  0.1164699941955618  0.0707800015750095  
  0.0570400059231773  0.4498000442778931  0.0707800015750095  
  0.2237000018504176  0.4498000442778931  0.0707800015750095  
  0.3903700113055848  0.4498000442778931  0.0707800015750095  
  0.5570399761295093  0.4498000442778931  0.0707800015750095  
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  0.8903700709478386  0.4498000442778931  0.0707800015750095  
  0.0570399985076619  0.7831299901246993  0.0707800015750095  
  0.2237000018349065  0.7831299901246993  0.0707800015750095  
  0.3903700113478834  0.7831299901246993  0.0707800015750095  
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  0.7236999869568592  0.7831299901246993  0.0707800015750095  
  0.8903700113276471  0.7831299901246993  0.0707800015750095  
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  0.1794299930379566  0.3171800076875684  0.1067200005173774  
  0.3461000025509335  0.3171800076875684  0.1067200005173774  
  0.5127699970904800  0.3171800076875684  0.1067200005173774  
  0.6794300079333411  0.3171800076875684  0.1067200005173774  
  0.8460999726994558  0.3171800076875684  0.1067200005173774  
  0.0127700036427640  0.6505100131054462  0.1067200005173774  
  0.1794299930371963  0.6505100131054462  0.1067200005173774  
  0.3461000025501733  0.6505100131054462  0.1067200005173774  
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  0.9690099954644396  0.8123300075513171  0.2775500118697636  
  0.0761925748838839  0.0282704625283006  0.3310287805420338  
  0.2429376917860084  0.0283734851792805  0.3308074193285457  
  0.4096499762295379  0.0281532374523272  0.3308906488912884  
  0.5761149292102793  0.0283819999134769  0.3308842771593353  
  0.7431442233190669  0.0287339060303046  0.3309814384622262  
  0.9102806959888687  0.0288401964108062  0.3307412899405704  
  0.0755360809503495  0.3617936890261074  0.3304115291360639  
  0.2415769965685753  0.3609876988646814  0.3296045548143408  
  0.4074385594432506  0.3587086246739017  0.3286150507312205  
  0.5754656823288334  0.3617485631387802  0.3309316838219261  
  0.7422690059076582  0.3617953819811920  0.3309370146866628  
  0.9090662156619996  0.3617965847210325  0.3310262208198944  
  0.0767692593862330  0.6947249693986310  0.3309465400890776  
  0.2432038186288980  0.6946710313130970  0.3305147269782550  
  0.4100245502855304  0.6966037653109250  0.3310055396159421  
  0.5777575408162609  0.6970530259112536  0.3303152579687512  
  0.7449868808913056  0.6960352537914251  0.3310417001982800  
  0.9100968656743820  0.6946686069390404  0.3308784445059423  
  0.0282521608615049  0.2231077106797053  0.3640633884675817  
  0.1944061021375040  0.2216321576954521  0.3623198877230947  
  0.3608596332644171  0.2224139177185063  0.3642136203494920  
  0.5284130340510944  0.2230155874895972  0.3618712100085936  
  0.6952694630869981  0.2231160098104676  0.3619077757757481  
  0.8622215977179457  0.2233769776087148  0.3619844289595552  
  0.0300641503223401  0.5559263679005239  0.3620562932551009  
  0.1964097031583986  0.5559571258348258  0.3635283453411830  
  0.3638176947361957  0.5570387537990017  0.3607116845641138  
  0.5324208252912093  0.5594612278819667  0.3563241297544704  
  0.6960924911885904  0.5562594397183090  0.3626068282426348  
  0.8630132329891431  0.5560767391446205  0.3620681735298311  
  0.0295368481296142  0.8890321252709507  0.3622364420976106  
  0.1959884576357876  0.8895714660256109  0.3617874902754113  
  0.3625799322857656  0.8894115136408495  0.3617216918715503  
  0.5296603900029948  0.8901919292576189  0.3637680615710306  
  0.6969716668503458  0.8905918907275491  0.3617888240445800  
  0.8630080700706461  0.8900715772115072  0.3629865620113065  
  0.2218530236168723  0.3049477541761798  0.4501214240378517  
  0.1605489635558607  0.3390045624668964  0.4493040841023218  
  0.1807950781236583  0.4161033639670388  0.4452514257926041  
  0.2622350426876008  0.4593656387665430  0.4429915119404898  
  0.3240402948037653  0.4250904859175781  0.4433571977679941  
  0.3032545720849952  0.3474101457897397  0.4464130438449007  
  0.4097851446755827  0.4709256877508361  0.4448750526875260  
  0.4659243737571326  0.4616043296871984  0.4180179872336539  
  0.2061009628249889  0.2448842856120623  0.4520574733670000  
  0.0971059616377720  0.3050374744246221  0.4512638934133579  
  0.1335803683382287  0.4434034733265450  0.4444244802533552  
  0.2778839394009450  0.5193906557006390  0.4397533875351742  
  0.3510343953316853  0.3207997916538176  0.4467308469522553  
  0.4248084504478558  0.5154052907811677  0.4715291674197795  
  0.5210114339788053  0.5004986290389800  0.4243431202011376  


  
cuo_adsoprtion_2                                       
   1.0000000000000000     
    17.2973003387000013    0.0000000000000000    0.0000000000000000
    -5.7788967649999998   18.0456707714000011    0.0000000000000000
     0.0000000000000000    0.0000000000000000   28.2558002471999998
   Cu   O    C    N    H 
   144   144     7     1     7
Direct
  0.1182400000000001  0.0501599999999982  0.0887499999999974   
  0.2849000000000004  0.0501599999999982  0.0887499999999974   
  0.2849000000000004  0.2168199999999985  0.0887499999999974   
  0.1182400000000001  0.2168199999999985  0.0887499999999974   
  0.4515699999999967  0.0501599999999982  0.0887499999999974   
  0.6182400000000001  0.0501599999999982  0.0887499999999974   
  0.6182400000000001  0.2168199999999985  0.0887499999999974   
  0.4515699999999967  0.2168199999999985  0.0887499999999974   
  0.7849000000000004  0.0501599999999982  0.0887499999999974   
  0.9515699999999967  0.0501599999999982  0.0887499999999974   
  0.9515699999999967  0.2168199999999985  0.0887499999999974   
  0.7849000000000004  0.2168199999999985  0.0887499999999974   
  0.1182400000000001  0.3834900000000019  0.0887499999999974   
  0.2849000000000004  0.3834900000000019  0.0887499999999974   
  0.2849000000000004  0.5501599999999982  0.0887499999999974   
  0.1182400000000001  0.5501599999999982  0.0887499999999974   
  0.4515699999999967  0.3834900000000019  0.0887499999999974   
  0.6182400000000001  0.3834900000000019  0.0887499999999974   
  0.6182400000000001  0.5501599999999982  0.0887499999999974   
  0.4515699999999967  0.5501599999999982  0.0887499999999974   
  0.7849000000000004  0.3834900000000019  0.0887499999999974   
  0.9515699999999967  0.3834900000000019  0.0887499999999974   
  0.9515699999999967  0.5501599999999982  0.0887499999999974   
  0.7849000000000004  0.5501599999999982  0.0887499999999974   
  0.1182400000000001  0.7168199999999985  0.0887499999999974   
  0.2849000000000004  0.7168199999999985  0.0887499999999974   
  0.2849000000000004  0.8834900000000019  0.0887499999999974   
  0.1182400000000001  0.8834900000000019  0.0887499999999974   
  0.4515699999999967  0.7168199999999985  0.0887499999999974   
  0.6182400000000001  0.7168199999999985  0.0887499999999974   
  0.6182400000000001  0.8834900000000019  0.0887499999999974   
  0.4515699999999967  0.8834900000000019  0.0887499999999974   
  0.7849000000000004  0.7168199999999985  0.0887499999999974   
  0.9515699999999967  0.7168199999999985  0.0887499999999974   
  0.9515699999999967  0.8834900000000019  0.0887499999999974   
  0.7849000000000004  0.8834900000000019  0.0887499999999974   
  0.0130300000000005  0.1310599999999980  0.1741699999999966   
  0.1796900000000008  0.1310599999999980  0.1741699999999966   
  0.1796900000000008  0.2977300000000014  0.1741699999999966   
  0.0130300000000005  0.2977300000000014  0.1741699999999966   
  0.3463599999999971  0.1310599999999980  0.1741699999999966   
  0.5130300000000005  0.1310599999999980  0.1741699999999966   
  0.5130300000000005  0.2977300000000014  0.1741699999999966   
  0.3463599999999971  0.2977300000000014  0.1741699999999966   
  0.6796900000000008  0.1310599999999980  0.1741699999999966   
  0.8463599999999971  0.1310599999999980  0.1741699999999966   
  0.8463599999999971  0.2977300000000014  0.1741699999999966   
  0.6796900000000008  0.2977300000000014  0.1741699999999966   
  0.0130300000000005  0.4643999999999977  0.1741699999999966   
  0.1796900000000008  0.4643999999999977  0.1741699999999966   
  0.1796900000000008  0.6310599999999980  0.1741699999999966   
  0.0130300000000005  0.6310599999999980  0.1741699999999966   
  0.3463599999999971  0.4643999999999977  0.1741699999999966   
  0.5130300000000005  0.4643999999999977  0.1741699999999966   
  0.5130300000000005  0.6310599999999980  0.1741699999999966   
  0.3463599999999971  0.6310599999999980  0.1741699999999966   
  0.6796900000000008  0.4643999999999977  0.1741699999999966   
  0.8463599999999971  0.4643999999999977  0.1741699999999966   
  0.8463599999999971  0.6310599999999980  0.1741699999999966   
  0.6796900000000008  0.6310599999999980  0.1741699999999966   
  0.0130300000000005  0.7977300000000014  0.1741699999999966   
  0.1796900000000008  0.7977300000000014  0.1741699999999966   
  0.1796900000000008  0.9643999999999977  0.1741699999999966   
  0.0130300000000005  0.9643999999999977  0.1741699999999966   
  0.3463599999999971  0.7977300000000014  0.1741699999999966   
  0.5130300000000005  0.7977300000000014  0.1741699999999966   
  0.5130300000000005  0.9643999999999977  0.1741699999999966   
  0.3463599999999971  0.9643999999999977  0.1741699999999966   
  0.6796900000000008  0.7977300000000014  0.1741699999999966   
  0.8463599999999971  0.7977300000000014  0.1741699999999966   
  0.8463599999999971  0.9643999999999977  0.1741699999999966   
  0.6796900000000008  0.9643999999999977  0.1741699999999966   
  0.2411499999999975  0.2119700000000009  0.2595799999999997   
  0.0744800000000012  0.2119700000000009  0.2595799999999997   
  0.0744800000000012  0.0453100000000006  0.2595799999999997   
  0.2411499999999975  0.0453100000000006  0.2595799999999997   
  0.5744800000000012  0.2119700000000009  0.2595799999999997   
  0.4078200000000010  0.2119700000000009  0.2595799999999997   
  0.4078200000000010  0.0453100000000006  0.2595799999999997   
  0.5744800000000012  0.0453100000000006  0.2595799999999997   
  0.9078200000000010  0.2119700000000009  0.2595799999999997   
  0.7411499999999975  0.2119700000000009  0.2595799999999997   
  0.7411499999999975  0.0453100000000006  0.2595799999999997   
  0.9078200000000010  0.0453100000000006  0.2595799999999997   
  0.2411499999999975  0.5453100000000006  0.2595799999999997   
  0.0744800000000012  0.5453100000000006  0.2595799999999997   
  0.0744800000000012  0.3786399999999972  0.2595799999999997   
  0.2411499999999975  0.3786399999999972  0.2595799999999997   
  0.5744800000000012  0.5453100000000006  0.2595799999999997   
  0.4078200000000010  0.5453100000000006  0.2595799999999997   
  0.4078200000000010  0.3786399999999972  0.2595799999999997   
  0.5744800000000012  0.3786399999999972  0.2595799999999997   
  0.9078200000000010  0.5453100000000006  0.2595799999999997   
  0.7411499999999975  0.5453100000000006  0.2595799999999997   
  0.7411499999999975  0.3786399999999972  0.2595799999999997   
  0.9078200000000010  0.3786399999999972  0.2595799999999997   
  0.2411499999999975  0.8786399999999972  0.2595799999999997   
  0.0744800000000012  0.8786399999999972  0.2595799999999997   
  0.0744800000000012  0.7119700000000009  0.2595799999999997   
  0.2411499999999975  0.7119700000000009  0.2595799999999997   
  0.5744800000000012  0.8786399999999972  0.2595799999999997   
  0.4078200000000010  0.8786399999999972  0.2595799999999997   
  0.4078200000000010  0.7119700000000009  0.2595799999999997   
  0.5744800000000012  0.7119700000000009  0.2595799999999997   
  0.9078200000000010  0.8786399999999972  0.2595799999999997   
  0.7411499999999975  0.8786399999999972  0.2595799999999997   
  0.7411499999999975  0.7119700000000009  0.2595799999999997   
  0.9078200000000010  0.7119700000000009  0.2595799999999997   
  0.1349879459208975  0.2906793602812873  0.3485347600761710   
  0.3020465708712549  0.2905950575530021  0.3479636596799792   
  0.3028843617430667  0.1291148436185543  0.3438375223192297   
  0.1368948431838051  0.1292383062445489  0.3437310418170264   
  0.4678173681925255  0.2898806886489010  0.3474600668501269   
  0.6347416995099819  0.2904134249379037  0.3481707894404263   
  0.6368018257457619  0.1291553229170853  0.3436847867432996   
  0.4688037126301263  0.1298979296962396  0.3437106958132354   
  0.8017444980836981  0.2906891872748529  0.3484403789476525   
  0.9684405042401458  0.2905708296604753  0.3486940925442317   
  0.9703227235114156  0.1290164648401156  0.3436847341794935   
  0.8035745297482688  0.1293986554187996  0.3437746628696806   
  0.1350159334542980  0.6237966528369949  0.3487211180079091   
  0.3017371253854355  0.6240748785259568  0.3490631242509687   
  0.2999905126753333  0.4633728811031602  0.3432569398879246   
  0.1361152711003167  0.4623832210780472  0.3437597118717707   
  0.4694859260083644  0.6250236458224618  0.3478283143347504   
  0.6363749428794173  0.6263387230454457  0.3469064434699062   
  0.6339438076804174  0.4613380327528954  0.3440124668325897   
  0.4645142657260826  0.4626632003560648  0.3464991481013754   
  0.8014704098770422  0.6245902039117838  0.3481251576113868   
  0.9681484931775737  0.6235986094508504  0.3488403621082494   
  0.9698824224185576  0.4622703290814179  0.3437080638257531   
  0.8024680639897140  0.4626653861013011  0.3434133827531157   
  0.1354336532204838  0.9572294734079985  0.3484770965621924   
  0.3021353260693490  0.9575126032058671  0.3486238449441957   
  0.3034576421377428  0.7956391327661162  0.3437084573764308   
  0.1369543158853440  0.7955559530370407  0.3436988970019374   
  0.4687024329563156  0.9572677757877344  0.3484815562902683   
  0.6355281436042443  0.9576958156596431  0.3486276110612205   
  0.6365612686315307  0.7971502888281496  0.3436874115967107   
  0.4698400988337056  0.7957717351084594  0.3436860230339021   
  0.8023054048381226  0.9580296420467239  0.3491486286750274   
  0.9687406535405436  0.9572648710435754  0.3487307623996458   
  0.9706134041316592  0.7953967216995136  0.3435768875509732   
  0.8038792972808811  0.7979288894200790  0.3436581849322546   
  0.0570400000000006  0.1164699999999996  0.0707799999999992   
  0.2237000000000009  0.1164699999999996  0.0707799999999992   
  0.3903699999999972  0.1164699999999996  0.0707799999999992   
  0.5570400000000006  0.1164699999999996  0.0707799999999992   
  0.7237000000000009  0.1164699999999996  0.0707799999999992   
  0.8903699999999972  0.1164699999999996  0.0707799999999992   
  0.0570400000000006  0.4498000000000033  0.0707799999999992   
  0.2237000000000009  0.4498000000000033  0.0707799999999992   
  0.3903699999999972  0.4498000000000033  0.0707799999999992   
  0.5570400000000006  0.4498000000000033  0.0707799999999992   
  0.7237000000000009  0.4498000000000033  0.0707799999999992   
  0.8903699999999972  0.4498000000000033  0.0707799999999992   
  0.0570400000000006  0.7831299999999999  0.0707799999999992   
  0.2237000000000009  0.7831299999999999  0.0707799999999992   
  0.3903699999999972  0.7831299999999999  0.0707799999999992   
  0.5570400000000006  0.7831299999999999  0.0707799999999992   
  0.7237000000000009  0.7831299999999999  0.0707799999999992   
  0.8903699999999972  0.7831299999999999  0.0707799999999992   
  0.0127700000000033  0.3171800000000005  0.1067200000000028   
  0.1794300000000035  0.3171800000000005  0.1067200000000028   
  0.3460999999999999  0.3171800000000005  0.1067200000000028   
  0.5127700000000033  0.3171800000000005  0.1067200000000028   
  0.6794299999999964  0.3171800000000005  0.1067200000000028   
  0.8460999999999999  0.3171800000000005  0.1067200000000028   
  0.0127700000000033  0.6505099999999970  0.1067200000000028   
  0.1794300000000035  0.6505099999999970  0.1067200000000028   
  0.3460999999999999  0.6505099999999970  0.1067200000000028   
  0.5127700000000033  0.6505099999999970  0.1067200000000028   
  0.6794299999999964  0.6505099999999970  0.1067200000000028   
  0.8460999999999999  0.6505099999999970  0.1067200000000028   
  0.0127700000000033  0.9838400000000007  0.1067200000000028   
  0.1794300000000035  0.9838400000000007  0.1067200000000028   
  0.3460999999999999  0.9838400000000007  0.1067200000000028   
  0.5127700000000033  0.9838400000000007  0.1067200000000028   
  0.6794299999999964  0.9838400000000007  0.1067200000000028   
  0.8460999999999999  0.9838400000000007  0.1067200000000028   
  0.2851599999999976  0.1973800000000026  0.1561999999999983   
  0.1184900000000013  0.1973800000000026  0.1561999999999983   
  0.6184900000000013  0.1973800000000026  0.1561999999999983   
  0.4518300000000011  0.1973800000000026  0.1561999999999983   
  0.9518300000000011  0.1973800000000026  0.1561999999999983   
  0.7851599999999976  0.1973800000000026  0.1561999999999983   
  0.2851599999999976  0.5307099999999991  0.1561999999999983   
  0.1184900000000013  0.5307099999999991  0.1561999999999983   
  0.6184900000000013  0.5307099999999991  0.1561999999999983   
  0.4518300000000011  0.5307099999999991  0.1561999999999983   
  0.9518300000000011  0.5307099999999991  0.1561999999999983   
  0.7851599999999976  0.5307099999999991  0.1561999999999983   
  0.2851599999999976  0.8640400000000028  0.1561999999999983   
  0.1184900000000013  0.8640400000000028  0.1561999999999983   
  0.6184900000000013  0.8640400000000028  0.1561999999999983   
  0.4518300000000011  0.8640400000000028  0.1561999999999983   
  0.9518300000000011  0.8640400000000028  0.1561999999999983   
  0.7851599999999976  0.8640400000000028  0.1561999999999983   
  0.2408900000000003  0.0647499999999965  0.1921400000000020   
  0.0742199999999968  0.0647499999999965  0.1921400000000020   
  0.5742199999999968  0.0647499999999965  0.1921400000000020   
  0.4075599999999966  0.0647499999999965  0.1921400000000020   
  0.9075599999999966  0.0647499999999965  0.1921400000000020   
  0.7408900000000003  0.0647499999999965  0.1921400000000020   
  0.2408900000000003  0.3980900000000034  0.1921400000000020   
  0.0742199999999968  0.3980900000000034  0.1921400000000020   
  0.5742199999999968  0.3980900000000034  0.1921400000000020   
  0.4075599999999966  0.3980900000000034  0.1921400000000020   
  0.9075599999999966  0.3980900000000034  0.1921400000000020   
  0.7408900000000003  0.3980900000000034  0.1921400000000020   
  0.2408900000000003  0.7314200000000000  0.1921400000000020   
  0.0742199999999968  0.7314200000000000  0.1921400000000020   
  0.5742199999999968  0.7314200000000000  0.1921400000000020   
  0.4075599999999966  0.7314200000000000  0.1921400000000020   
  0.9075599999999966  0.7314200000000000  0.1921400000000020   
  0.7408900000000003  0.7314200000000000  0.1921400000000020   
  0.1799499999999981  0.2782800000000023  0.2416100000000014   
  0.0132800000000017  0.2782800000000023  0.2416100000000014   
  0.5132800000000017  0.2782800000000023  0.2416100000000014   
  0.3466200000000015  0.2782800000000023  0.2416100000000014   
  0.8466200000000015  0.2782800000000023  0.2416100000000014   
  0.6799499999999981  0.2782800000000023  0.2416100000000014   
  0.1799499999999981  0.6116200000000021  0.2416100000000014   
  0.0132800000000017  0.6116200000000021  0.2416100000000014   
  0.5132800000000017  0.6116200000000021  0.2416100000000014   
  0.3466200000000015  0.6116200000000021  0.2416100000000014   
  0.8466200000000015  0.6116200000000021  0.2416100000000014   
  0.6799499999999981  0.6116200000000021  0.2416100000000014   
  0.1799499999999981  0.9449499999999986  0.2416100000000014   
  0.0132800000000017  0.9449499999999986  0.2416100000000014   
  0.5132800000000017  0.9449499999999986  0.2416100000000014   
  0.3466200000000015  0.9449499999999986  0.2416100000000014   
  0.8466200000000015  0.9449499999999986  0.2416100000000014   
  0.6799499999999981  0.9449499999999986  0.2416100000000014   
  0.1356800000000007  0.1456599999999995  0.2775499999999980   
  0.3023499999999970  0.1456599999999995  0.2775499999999980   
  0.4690099999999973  0.1456599999999995  0.2775499999999980   
  0.6356800000000007  0.1456599999999995  0.2775499999999980   
  0.8023499999999970  0.1456599999999995  0.2775499999999980   
  0.9690099999999973  0.1456599999999995  0.2775499999999980   
  0.1356800000000007  0.4789900000000031  0.2775499999999980   
  0.3023499999999970  0.4789900000000031  0.2775499999999980   
  0.4690099999999973  0.4789900000000031  0.2775499999999980   
  0.6356800000000007  0.4789900000000031  0.2775499999999980   
  0.8023499999999970  0.4789900000000031  0.2775499999999980   
  0.9690099999999973  0.4789900000000031  0.2775499999999980   
  0.1356800000000007  0.8123300000000029  0.2775499999999980   
  0.3023499999999970  0.8123300000000029  0.2775499999999980   
  0.4690099999999973  0.8123300000000029  0.2775499999999980   
  0.6356800000000007  0.8123300000000029  0.2775499999999980   
  0.8023499999999970  0.8123300000000029  0.2775499999999980   
  0.9690099999999973  0.8123300000000029  0.2775499999999980   
  0.0757177745147598  0.0284646088607090  0.3310412188381246   
  0.2421279568382850  0.0284657551222758  0.3309899295764647   
  0.4094177348754905  0.0282630996831684  0.3308663761591900   
  0.5758544499779283  0.0284074335863611  0.3308999372755114   
  0.7426056330561227  0.0287962775567135  0.3310497226726187   
  0.9091394976942327  0.0284301744948937  0.3309392838838097   
  0.0751422176065073  0.3617023994512659  0.3310082818855261   
  0.2414227599386302  0.3621433822974470  0.3309597396715044   
  0.4079549630041300  0.3590489758465449  0.3283111626811906   
  0.5746064910769403  0.3600156691570661  0.3293231715041297   
  0.7422233918234187  0.3614521978238878  0.3305863542423301   
  0.9088347825642346  0.3616544033816506  0.3310150334768055   
  0.0755217333393969  0.6949059283532543  0.3310512494907459   
  0.2419513681848080  0.6949553839512219  0.3310528910710439   
  0.4083284607184155  0.6950710820139264  0.3309977638019644   
  0.5759840977650726  0.6971797849268879  0.3303593903811003   
  0.7440485555519903  0.6970434423219394  0.3308782889967939   
  0.9093758969050547  0.6947133175280708  0.3309096427685926   
  0.0286554747666756  0.2229141447682557  0.3620268476453333   
  0.1954172426155994  0.2232785311977576  0.3619175882361713   
  0.3616361863428275  0.2224074181009322  0.3630363137741989   
  0.5280663825666058  0.2221650291011962  0.3633351636168691   
  0.6953393046544096  0.2229222632943577  0.3623711391797685   
  0.8619218102183612  0.2232032125681130  0.3622879244582120   
  0.0284268579508947  0.5560087442047641  0.3621499568399759   
  0.1950968655039902  0.5559981740761238  0.3623657311592705   
  0.3612943155225572  0.5560693435405905  0.3630038019013704   
  0.5314882545889994  0.5600775885357760  0.3594260212942210   
  0.6955786410545280  0.5574658616143047  0.3601362225363768   
  0.8610255152432047  0.5561046135967886  0.3626480379077977   
  0.0290410238142726  0.8894340934073046  0.3616263128521294   
  0.1956823371357636  0.8895523663104686  0.3617330187511276   
  0.3622547609744502  0.8894517516446914  0.3618949735838124   
  0.5289546412570600  0.8896343652010957  0.3617671038022628   
  0.6958548403846165  0.8905214155941226  0.3622982491522952   
  0.8624054236558372  0.8905808002259383  0.3638237096493757   
  0.6720803340842240  0.4289999053795986  0.4363470726429767   
  0.6733430062854310  0.3571923232386567  0.4474364972275433   
  0.6013026414637157  0.3019368425112692  0.4585758661157558   
  0.5278042407448159  0.3182491255478589  0.4597712200046757   
  0.5257499398622837  0.3892690485566834  0.4473250168064488   
  0.5982312257371185  0.4449310937814034  0.4351933735861844   
  0.4497695377615627  0.4085176763263207  0.4483574547884963   
  0.4294759261912436  0.4447147527123507  0.4146457221672271   
  0.7280730215120678  0.4735460122067176  0.4290276225878452   
  0.7305112810215794  0.3440883234845157  0.4472346299526567   
  0.6022363454775365  0.2457127694115206  0.4656692976730192   
  0.4715880944847463  0.2749478838278996  0.4683509056229891   
  0.5966984476916003  0.5009533469779381  0.4272325556669927   
  0.4113781199856535  0.3928268648469860  0.4800546562109461   
  0.3800494427533725  0.4621915842834439  0.4218931095932449    



cuo_adsoprtion_3                                       
   1.0000000000000000     
    17.2973003387000013    0.0000000000000000    0.0000000000000000
    -5.7788967649999998   18.0456707714000011    0.0000000000000000
     0.0000000000000000    0.0000000000000000   28.2558002471999998
   Cu   O    C    N    H 
   144   144     7     1     7
Direct
  0.1182400000000001  0.0501599999999982  0.0887499999999974  
  0.2849000000000004  0.0501599999999982  0.0887499999999974  
  0.2849000000000004  0.2168199999999985  0.0887499999999974  
  0.1182400000000001  0.2168199999999985  0.0887499999999974  
  0.4515699999999967  0.0501599999999982  0.0887499999999974  
  0.6182400000000001  0.0501599999999982  0.0887499999999974  
  0.6182400000000001  0.2168199999999985  0.0887499999999974  
  0.4515699999999967  0.2168199999999985  0.0887499999999974  
  0.7849000000000004  0.0501599999999982  0.0887499999999974  
  0.9515699999999967  0.0501599999999982  0.0887499999999974  
  0.9515699999999967  0.2168199999999985  0.0887499999999974  
  0.7849000000000004  0.2168199999999985  0.0887499999999974  
  0.1182400000000001  0.3834900000000019  0.0887499999999974  
  0.2849000000000004  0.3834900000000019  0.0887499999999974  
  0.2849000000000004  0.5501599999999982  0.0887499999999974  
  0.1182400000000001  0.5501599999999982  0.0887499999999974  
  0.4515699999999967  0.3834900000000019  0.0887499999999974  
  0.6182400000000001  0.3834900000000019  0.0887499999999974  
  0.6182400000000001  0.5501599999999982  0.0887499999999974  
  0.4515699999999967  0.5501599999999982  0.0887499999999974  
  0.7849000000000004  0.3834900000000019  0.0887499999999974  
  0.9515699999999967  0.3834900000000019  0.0887499999999974  
  0.9515699999999967  0.5501599999999982  0.0887499999999974  
  0.7849000000000004  0.5501599999999982  0.0887499999999974  
  0.1182400000000001  0.7168199999999985  0.0887499999999974  
  0.2849000000000004  0.7168199999999985  0.0887499999999974  
  0.2849000000000004  0.8834900000000019  0.0887499999999974  
  0.1182400000000001  0.8834900000000019  0.0887499999999974  
  0.4515699999999967  0.7168199999999985  0.0887499999999974  
  0.6182400000000001  0.7168199999999985  0.0887499999999974  
  0.6182400000000001  0.8834900000000019  0.0887499999999974  
  0.4515699999999967  0.8834900000000019  0.0887499999999974  
  0.7849000000000004  0.7168199999999985  0.0887499999999974  
  0.9515699999999967  0.7168199999999985  0.0887499999999974  
  0.9515699999999967  0.8834900000000019  0.0887499999999974  
  0.7849000000000004  0.8834900000000019  0.0887499999999974  
  0.0130300000000005  0.1310599999999980  0.1741699999999966  
  0.1796900000000008  0.1310599999999980  0.1741699999999966  
  0.1796900000000008  0.2977300000000014  0.1741699999999966  
  0.0130300000000005  0.2977300000000014  0.1741699999999966  
  0.3463599999999971  0.1310599999999980  0.1741699999999966  
  0.5130300000000005  0.1310599999999980  0.1741699999999966  
  0.5130300000000005  0.2977300000000014  0.1741699999999966  
  0.3463599999999971  0.2977300000000014  0.1741699999999966  
  0.6796900000000008  0.1310599999999980  0.1741699999999966  
  0.8463599999999971  0.1310599999999980  0.1741699999999966  
  0.8463599999999971  0.2977300000000014  0.1741699999999966  
  0.6796900000000008  0.2977300000000014  0.1741699999999966  
  0.0130300000000005  0.4643999999999977  0.1741699999999966  
  0.1796900000000008  0.4643999999999977  0.1741699999999966  
  0.1796900000000008  0.6310599999999980  0.1741699999999966  
  0.0130300000000005  0.6310599999999980  0.1741699999999966  
  0.3463599999999971  0.4643999999999977  0.1741699999999966  
  0.5130300000000005  0.4643999999999977  0.1741699999999966  
  0.5130300000000005  0.6310599999999980  0.1741699999999966  
  0.3463599999999971  0.6310599999999980  0.1741699999999966  
  0.6796900000000008  0.4643999999999977  0.1741699999999966  
  0.8463599999999971  0.4643999999999977  0.1741699999999966  
  0.8463599999999971  0.6310599999999980  0.1741699999999966  
  0.6796900000000008  0.6310599999999980  0.1741699999999966  
  0.0130300000000005  0.7977300000000014  0.1741699999999966  
  0.1796900000000008  0.7977300000000014  0.1741699999999966  
  0.1796900000000008  0.9643999999999977  0.1741699999999966  
  0.0130300000000005  0.9643999999999977  0.1741699999999966  
  0.3463599999999971  0.7977300000000014  0.1741699999999966  
  0.5130300000000005  0.7977300000000014  0.1741699999999966  
  0.5130300000000005  0.9643999999999977  0.1741699999999966  
  0.3463599999999971  0.9643999999999977  0.1741699999999966  
  0.6796900000000008  0.7977300000000014  0.1741699999999966  
  0.8463599999999971  0.7977300000000014  0.1741699999999966  
  0.8463599999999971  0.9643999999999977  0.1741699999999966  
  0.6796900000000008  0.9643999999999977  0.1741699999999966  
  0.2411499999999975  0.2119700000000009  0.2595799999999997  
  0.0744800000000012  0.2119700000000009  0.2595799999999997  
  0.0744800000000012  0.0453100000000006  0.2595799999999997  
  0.2411499999999975  0.0453100000000006  0.2595799999999997  
  0.5744800000000012  0.2119700000000009  0.2595799999999997  
  0.4078200000000010  0.2119700000000009  0.2595799999999997  
  0.4078200000000010  0.0453100000000006  0.2595799999999997  
  0.5744800000000012  0.0453100000000006  0.2595799999999997  
  0.9078200000000010  0.2119700000000009  0.2595799999999997  
  0.7411499999999975  0.2119700000000009  0.2595799999999997  
  0.7411499999999975  0.0453100000000006  0.2595799999999997  
  0.9078200000000010  0.0453100000000006  0.2595799999999997  
  0.2411499999999975  0.5453100000000006  0.2595799999999997  
  0.0744800000000012  0.5453100000000006  0.2595799999999997  
  0.0744800000000012  0.3786399999999972  0.2595799999999997  
  0.2411499999999975  0.3786399999999972  0.2595799999999997  
  0.5744800000000012  0.5453100000000006  0.2595799999999997  
  0.4078200000000010  0.5453100000000006  0.2595799999999997  
  0.4078200000000010  0.3786399999999972  0.2595799999999997  
  0.5744800000000012  0.3786399999999972  0.2595799999999997  
  0.9078200000000010  0.5453100000000006  0.2595799999999997  
  0.7411499999999975  0.5453100000000006  0.2595799999999997  
  0.7411499999999975  0.3786399999999972  0.2595799999999997  
  0.9078200000000010  0.3786399999999972  0.2595799999999997  
  0.2411499999999975  0.8786399999999972  0.2595799999999997  
  0.0744800000000012  0.8786399999999972  0.2595799999999997  
  0.0744800000000012  0.7119700000000009  0.2595799999999997  
  0.2411499999999975  0.7119700000000009  0.2595799999999997  
  0.5744800000000012  0.8786399999999972  0.2595799999999997  
  0.4078200000000010  0.8786399999999972  0.2595799999999997  
  0.4078200000000010  0.7119700000000009  0.2595799999999997  
  0.5744800000000012  0.7119700000000009  0.2595799999999997  
  0.9078200000000010  0.8786399999999972  0.2595799999999997  
  0.7411499999999975  0.8786399999999972  0.2595799999999997  
  0.7411499999999975  0.7119700000000009  0.2595799999999997  
  0.9078200000000010  0.7119700000000009  0.2595799999999997  
  0.1335083980270048  0.2908940201573842  0.3490668224749660  
  0.3001268008535390  0.2901852956642392  0.3481887305542780  
  0.3024730110075010  0.1288188414978879  0.3436707986206142  
  0.1346982150716031  0.1302799774191540  0.3438273023607299  
  0.4664324215695533  0.2899694604519154  0.3472540704352041  
  0.6335720278405922  0.2909474731039516  0.3484917697460160  
  0.6357467743558977  0.1292584640787711  0.3436570863308070  
  0.4684734280218027  0.1303581222474636  0.3438124457863287  
  0.8004564396472726  0.2912739271542739  0.3489194969421779  
  0.9668910852004466  0.2909714505217768  0.3490542166137962  
  0.9679961102548007  0.1304043163639470  0.3438930077592660  
  0.8016300568918007  0.1308780572129766  0.3439124238308420  
  0.1362547372554089  0.6236781499746497  0.3486323925643645  
  0.3028392085418592  0.6238260160464943  0.3483894729017897  
  0.3036799470284451  0.4624083190907611  0.3434473977061854  
  0.1369855160851045  0.4623018189182369  0.3437083886408702  
  0.4703017094978687  0.6255854232904362  0.3451598615967877  
  0.6388921469554570  0.6273043409979935  0.3465046353791272  
  0.6351728655082922  0.4634039811687685  0.3435105666540620  
  0.4692302657145931  0.4618069862113734  0.3456478846181580  
  0.8033806170319484  0.6239912721588385  0.3487388404842152  
  0.9697393799769350  0.6236426682211330  0.3486487327366547  
  0.9701060547155199  0.4622828774565524  0.3436948598987572  
  0.8023782758146586  0.4628859588509269  0.3437378741712427  
  0.1357284391099398  0.9571658054517884  0.3484332427413924  
  0.3026156681237465  0.9574904681330719  0.3486239224244337  
  0.3042897987600674  0.7955943394486399  0.3436700429136389  
  0.1376347471710314  0.7955412860295604  0.3436773886864704  
  0.4691476218768926  0.9571848373813577  0.3486767161750228  
  0.6360416362501164  0.9580506802474850  0.3490575372378720  
  0.6378590075591942  0.7972368997353441  0.3438430720955719  
  0.4710039364035000  0.7960191622419571  0.3437438618141913  
  0.8025529277354115  0.9581936840324353  0.3490256249234928  
  0.9692703354040378  0.9578028585642562  0.3486885888763144  
  0.9712165660317357  0.7955523878206512  0.3436293842777222  
  0.8052706392376678  0.7965845634345282  0.3436913816748436  
  0.0570400000000006  0.1164699999999996  0.0707799999999992  
  0.2237000000000009  0.1164699999999996  0.0707799999999992  
  0.3903699999999972  0.1164699999999996  0.0707799999999992  
  0.5570400000000006  0.1164699999999996  0.0707799999999992  
  0.7237000000000009  0.1164699999999996  0.0707799999999992  
  0.8903699999999972  0.1164699999999996  0.0707799999999992  
  0.0570400000000006  0.4498000000000033  0.0707799999999992  
  0.2237000000000009  0.4498000000000033  0.0707799999999992  
  0.3903699999999972  0.4498000000000033  0.0707799999999992  
  0.5570400000000006  0.4498000000000033  0.0707799999999992  
  0.7237000000000009  0.4498000000000033  0.0707799999999992  
  0.8903699999999972  0.4498000000000033  0.0707799999999992  
  0.0570400000000006  0.7831299999999999  0.0707799999999992  
  0.2237000000000009  0.7831299999999999  0.0707799999999992  
  0.3903699999999972  0.7831299999999999  0.0707799999999992  
  0.5570400000000006  0.7831299999999999  0.0707799999999992  
  0.7237000000000009  0.7831299999999999  0.0707799999999992  
  0.8903699999999972  0.7831299999999999  0.0707799999999992  
  0.0127700000000033  0.3171800000000005  0.1067200000000028  
  0.1794300000000035  0.3171800000000005  0.1067200000000028  
  0.3460999999999999  0.3171800000000005  0.1067200000000028  
  0.5127700000000033  0.3171800000000005  0.1067200000000028  
  0.6794299999999964  0.3171800000000005  0.1067200000000028  
  0.8460999999999999  0.3171800000000005  0.1067200000000028  
  0.0127700000000033  0.6505099999999970  0.1067200000000028  
  0.1794300000000035  0.6505099999999970  0.1067200000000028  
  0.3460999999999999  0.6505099999999970  0.1067200000000028  
  0.5127700000000033  0.6505099999999970  0.1067200000000028  
  0.6794299999999964  0.6505099999999970  0.1067200000000028  
  0.8460999999999999  0.6505099999999970  0.1067200000000028  
  0.0127700000000033  0.9838400000000007  0.1067200000000028  
  0.1794300000000035  0.9838400000000007  0.1067200000000028  
  0.3460999999999999  0.9838400000000007  0.1067200000000028  
  0.5127700000000033  0.9838400000000007  0.1067200000000028  
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  0.2851599999999976  0.1973800000000026  0.1561999999999983  
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  0.4518300000000011  0.8640400000000028  0.1561999999999983  
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  0.3466200000000015  0.6116200000000021  0.2416100000000014  
  0.8466200000000015  0.6116200000000021  0.2416100000000014  
  0.6799499999999981  0.6116200000000021  0.2416100000000014  
  0.1799499999999981  0.9449499999999986  0.2416100000000014  
  0.0132800000000017  0.9449499999999986  0.2416100000000014  
  0.5132800000000017  0.9449499999999986  0.2416100000000014  
  0.3466200000000015  0.9449499999999986  0.2416100000000014  
  0.8466200000000015  0.9449499999999986  0.2416100000000014  
  0.6799499999999981  0.9449499999999986  0.2416100000000014  
  0.1356800000000007  0.1456599999999995  0.2775499999999980  
  0.3023499999999970  0.1456599999999995  0.2775499999999980  
  0.4690099999999973  0.1456599999999995  0.2775499999999980  
  0.6356800000000007  0.1456599999999995  0.2775499999999980  
  0.8023499999999970  0.1456599999999995  0.2775499999999980  
  0.9690099999999973  0.1456599999999995  0.2775499999999980  
  0.1356800000000007  0.4789900000000031  0.2775499999999980  
  0.3023499999999970  0.4789900000000031  0.2775499999999980  
  0.4690099999999973  0.4789900000000031  0.2775499999999980  
  0.6356800000000007  0.4789900000000031  0.2775499999999980  
  0.8023499999999970  0.4789900000000031  0.2775499999999980  
  0.9690099999999973  0.4789900000000031  0.2775499999999980  
  0.1356800000000007  0.8123300000000029  0.2775499999999980  
  0.3023499999999970  0.8123300000000029  0.2775499999999980  
  0.4690099999999973  0.8123300000000029  0.2775499999999980  
  0.6356800000000007  0.8123300000000029  0.2775499999999980  
  0.8023499999999970  0.8123300000000029  0.2775499999999980  
  0.9690099999999973  0.8123300000000029  0.2775499999999980  
  0.0765152981916064  0.0284398931758329  0.3307809529150543  
  0.2425870106075722  0.0280593109813344  0.3308409604079280  
  0.4098905790060670  0.0284451033812946  0.3308756469518461  
  0.5758220311704019  0.0283130869477957  0.3309817919866770  
  0.7431672686559010  0.0291552395103416  0.3310718001320017  
  0.9098800569597080  0.0288033583884280  0.3309693820174679  
  0.0742248456133549  0.3618863631513986  0.3310757025494953  
  0.2407076586403661  0.3618821212731185  0.3311983397893737  
  0.4062908714406016  0.3594883731997875  0.3293593172150975  
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  0.7409553235210411  0.3620995360194604  0.3311402455886375  
  0.9077278706406513  0.3618927609396687  0.3310247860075173  
  0.0765624209697938  0.6947989780168752  0.3310053171325179  
  0.2428822003958941  0.6949020573832972  0.3310275719484505  
  0.4089680190977663  0.6958689479061132  0.3309278007692305  
  0.5776447928583658  0.6979751643006520  0.3298494695956412  
  0.7456860700946503  0.6960013301581581  0.3309280598551548  
  0.9104545589722520  0.6947120256813690  0.3310111373843022  
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  0.3604423023688543  0.2225220339851892  0.3623800097315807  
  0.5270478334327678  0.2233760074668950  0.3634174729567688  
  0.6938662064978760  0.2233282759035645  0.3617728134785227  
  0.8603311588523072  0.2236838481340257  0.3636851830927159  
  0.0297380929526899  0.5558443390336533  0.3619207552769850  
  0.1964638745058654  0.5559632174613034  0.3621132748724478  
  0.3636876640783905  0.5565044256423681  0.3609895193739761  
  0.5338929346956144  0.5607538675905225  0.3510158673505505  
  0.6962716363931892  0.5566744368712558  0.3621692679850502  
  0.8628941410435557  0.5559637979452104  0.3623217204066909  
  0.0292853873843679  0.8895357173362911  0.3617771723998328  
  0.1961339005268744  0.8895235843798853  0.3616840746820170  
  0.3628162107715763  0.8894599672922830  0.3619131762145283  
  0.5296903953444940  0.8896542243177807  0.3623988858543441  
  0.6964796733326709  0.8906694837288399  0.3629234726804679  
  0.8629187376265012  0.8903274940176567  0.3621801660133273  
  0.5014922637125965  0.6722900908828872  0.4481135290919192  
  0.5819982517547871  0.7167874673194770  0.4540202777141026  
  0.6434481255043683  0.6837637032840125  0.4602966977874957  
  0.6245779193869789  0.6066482953085790  0.4608565151322904  
  0.5444758029979554  0.5620759963324217  0.4522591196097566  
  0.4826670530275927  0.5952944269671678  0.4464583460927306  
  0.5280496874404274  0.4817103490411013  0.4483801541146660  
  0.4843322813172454  0.4405280212243131  0.4156640804625265  
  0.4531634859135152  0.6977446742035210  0.4438194157295487  
  0.5967616538671380  0.7770924312601768  0.4538968819086306  
  0.7062145675128355  0.7182585177430412  0.4648789545621498  
  0.6727609056452827  0.5810037967955094  0.4648922055575168  
  0.4207032417099015  0.5609741254156929  0.4392584860257023  
  0.5566468395545778  0.4559099718060983  0.4753748397413838  
  0.4786135080178548  0.3855196294319269  0.4207800862635331  



cuo_adsoprtion_1_-1H
   1.0000000000000000     
    17.2973003387000013    0.0000000000000000    0.0000000000000000
    -5.7788967649999998   18.0456707714000011    0.0000000000000000
     0.0000000000000000    0.0000000000000000   28.2558002471999998
   Cu   O    C    N    H 
   144   144     7     1     6
Direct
  0.1182399999837358  0.0501600000059028  0.0887500000021575  
  0.2849000000156607  0.0501600000059028  0.0887500000021575  
  0.2849000000116888  0.2168200000191192  0.0887500000021575  
  0.1182399999797639  0.2168200000191192  0.0887500000021575  
  0.4515699999895801  0.0501600000059028  0.0887500000021575  
  0.6182400000213093  0.0501600000059028  0.0887500000021575  
  0.6182400000173374  0.2168200000191192  0.0887500000021575  
  0.4515699999856082  0.2168200000191192  0.0887500000021575  
  0.7848999999954245  0.0501600000059028  0.0887500000021575  
  0.9515700000271607  0.0501600000059028  0.0887500000021575  
  0.9515700000231817  0.2168200000191192  0.0887500000021575  
  0.7848999999914525  0.2168200000191192  0.0887500000021575  
  0.1182400000186234  0.3834899999931167  0.0887500000021575  
  0.2848999999927386  0.3834899999931167  0.0887500000021575  
  0.2848999999923123  0.5501600000225295  0.0887500000021575  
  0.1182400000181971  0.5501600000225295  0.0887500000021575  
  0.4515700000244749  0.3834899999931167  0.0887500000021575  
  0.6182399999983943  0.3834899999931167  0.0887500000021575  
  0.6182399999979609  0.5501600000225295  0.0887500000021575  
  0.4515700000240415  0.5501600000225295  0.0887500000021575  
  0.7848999999725095  0.3834899999931167  0.0887500000021575  
  0.9515700000042386  0.3834899999931167  0.0887500000021575  
  0.9515700000038052  0.5501600000225295  0.0887500000021575  
  0.7849000000298858  0.5501600000225295  0.0887500000021575  
  0.1182399999957084  0.7168199999803306  0.0887500000021575  
  0.2848999999698236  0.7168199999803306  0.0887500000021575  
  0.2849000000272000  0.8834900000097434  0.0887500000021575  
  0.1182399999952750  0.8834900000097434  0.0887500000021575  
  0.4515700000015528  0.7168199999803306  0.0887500000021575  
  0.6182399999754722  0.7168199999803306  0.0887500000021575  
  0.6182400000328556  0.8834900000097434  0.0887500000021575  
  0.4515700000011194  0.8834900000097434  0.0887500000021575  
  0.7849000000073971  0.7168199999803306  0.0887500000021575  
  0.9515699999813165  0.7168199999803306  0.0887500000021575  
  0.9515699999808902  0.8834900000097434  0.0887500000021575  
  0.7849000000069708  0.8834900000097434  0.0887500000021575  
  0.0130299999717707  0.1310599999833926  0.1741699999980568  
  0.1796900000036956  0.1310599999833926  0.1741699999980568  
  0.1796900000032622  0.2977300000128054  0.1741699999980568  
  0.0130300000291470  0.2977300000128054  0.1741699999980568  
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  0.5130300000093442  0.1310599999833926  0.1741699999980568  
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  0.3463599999771816  0.2977300000128054  0.1741699999980568  
  0.6796899999834594  0.1310599999833926  0.1741699999980568  
  0.8463600000151956  0.1310599999833926  0.1741699999980568  
  0.8463600000147622  0.2977300000128054  0.1741699999980568  
  0.6796899999830259  0.2977300000128054  0.1741699999980568  
  0.0130300000102039  0.4643999999868029  0.1741699999980568  
  0.1796899999843191  0.4643999999868029  0.1741699999980568  
  0.1796899999803401  0.6310600000000193  0.1741699999980568  
  0.0130300000062320  0.6310600000000193  0.1741699999980568  
  0.3463600000160483  0.4643999999868029  0.1741699999980568  
  0.5130299999899677  0.4643999999868029  0.1741699999980568  
  0.5130299999859957  0.6310600000000193  0.1741699999980568  
  0.3463600000120763  0.6310600000000193  0.1741699999980568  
  0.6796900000218926  0.4643999999868029  0.1741699999980568  
  0.8463599999958120  0.4643999999868029  0.1741699999980568  
  0.8463599999918401  0.6310600000000193  0.1741699999980568  
  0.6796900000179207  0.6310600000000193  0.1741699999980568  
  0.0130299999872818  0.7977299999740168  0.1741699999980568  
  0.1796900000192068  0.7977299999740168  0.1741699999980568  
  0.1796900000187804  0.9644000000034296  0.1741699999980568  
  0.0130299999868484  0.9644000000034296  0.1741699999980568  
  0.3463599999931262  0.7977299999740168  0.1741699999980568  
  0.5130299999670456  0.7977299999740168  0.1741699999980568  
  0.5130300000244290  0.9644000000034296  0.1741699999980568  
  0.3463599999926998  0.9644000000034296  0.1741699999980568  
  0.6796899999989776  0.7977299999740168  0.1741699999980568  
  0.8463599999728970  0.7977299999740168  0.1741699999980568  
  0.8463600000302733  0.9644000000034296  0.1741699999980568  
  0.6796899999985442  0.9644000000034296  0.1741699999980568  
  0.2411499999691884  0.2119699999770788  0.2595799999940454  
  0.0744799999952690  0.2119699999770788  0.2595799999940454  
  0.0744800000177577  0.0453100000192777  0.2595799999940454  
  0.2411499999916771  0.0453100000192777  0.2595799999940454  
  0.5744799999750398  0.2119699999770788  0.2595799999940454  
  0.4078200000009247  0.2119699999770788  0.2595799999940454  
  0.4078200000234062  0.0453100000192777  0.2595799999940454  
  0.5744799999975214  0.0453100000192777  0.2595799999940454  
  0.9078199999806884  0.2119699999770788  0.2595799999940454  
  0.7411500000067690  0.2119699999770788  0.2595799999940454  
  0.7411500000292577  0.0453100000192777  0.2595799999940454  
  0.9078200000031771  0.0453100000192777  0.2595799999940454  
  0.2411500000076217  0.5453099999804891  0.2595799999940454  
  0.0744799999758925  0.5453099999804891  0.2595799999940454  
  0.0744799999948356  0.3786400000064916  0.2595799999940454  
  0.2411500000265718  0.3786400000064916  0.2595799999940454  
  0.5744800000134731  0.5453099999804891  0.2595799999940454  
  0.4078199999815411  0.5453099999804891  0.2595799999940454  
  0.4078200000004912  0.3786400000064916  0.2595799999940454  
  0.5744800000324162  0.3786400000064916  0.2595799999940454  
  0.9078200000191217  0.5453099999804891  0.2595799999940454  
  0.7411499999873925  0.5453099999804891  0.2595799999940454  
  0.7411500000063356  0.3786400000064916  0.2595799999940454  
  0.9078199999802550  0.3786400000064916  0.2595799999940454  
  0.2411500000032163  0.8786400000231112  0.2595799999940454  
  0.0744800000292969  0.8786400000231112  0.2595799999940454  
  0.0744799999719206  0.7119699999936984  0.2595799999940454  
  0.2411500000036497  0.7119699999936984  0.2595799999940454  
  0.5744800000090677  0.8786400000231112  0.2595799999940454  
  0.4078200000349526  0.8786400000231112  0.2595799999940454  
  0.4078199999775691  0.7119699999936984  0.2595799999940454  
  0.5744800000094941  0.7119699999936984  0.2595799999940454  
  0.9078200000147163  0.8786400000231112  0.2595799999940454  
  0.7411499999829871  0.8786400000231112  0.2595799999940454  
  0.7411499999834135  0.7119699999936984  0.2595799999940454  
  0.9078200000151497  0.7119699999936984  0.2595799999940454  
  0.1413846371148466  0.2899263328849671  0.3480914084821052  
  0.3080161847153207  0.2905502678024732  0.3478427285935979  
  0.3066464484043721  0.1288747915900004  0.3434751795832085  
  0.1401228636829401  0.1283927181733233  0.3434478262813911  
  0.4751323984784506  0.2884365137485645  0.3465649784775167  
  0.6408956473806597  0.2884107454348026  0.3473887590960913  
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  0.8076295573739429  0.2897835831962396  0.3482393982413541  
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  0.1347912467454861  0.6237745850217280  0.3489762433901404  
  0.3009933467330299  0.6249430683446136  0.3476261967595562  
  0.3072424129637170  0.4615263155537974  0.3440016771821064  
  0.1393645498233553  0.4622559112624458  0.3435485223151673  
  0.4676190427520552  0.6272405852594360  0.3451798769364416  
  0.6370742891388730  0.6260203846532022  0.3472203259383235  
  0.6289791372834799  0.4606350803476786  0.3464856327119321  
  0.4791925150805696  0.4615893213461177  0.3428298631399755  
  0.8009442577894177  0.6229275317494398  0.3483334263926352  
  0.9681185850314051  0.6236225540752258  0.3486630812533917  
  0.9721648593977363  0.4620985678269847  0.3436142079113935  
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  0.1370296428102336  0.9569071556042843  0.3484852750341005  
  0.3035979930196646  0.9568497354255641  0.3485255821801090  
  0.3037270503673852  0.7956576302709237  0.3437044606551538  
  0.1373448987322377  0.7954104008607175  0.3436762075145197  
  0.4702852693769159  0.9572029487746150  0.3486638232733341  
  0.6371478614344568  0.9576991099884040  0.3487533808545038  
  0.6377980450925307  0.7969440862404227  0.3437529742544072  
  0.4703639859372046  0.7973371671779077  0.3437991286623543  
  0.8039140622668128  0.9575102223299297  0.3486130993957772  
  0.9704856575288687  0.9570450881395445  0.3484841982175766  
  0.9708496128524189  0.7951871729291113  0.3436408117926320  
  0.8048851396466432  0.7960014978879713  0.3436247307253879  
  0.0570399999989490  0.1164700000141323  0.0707799999824203  
  0.2237000000308740  0.1164700000141323  0.0707799999824203  
  0.3903700000047934  0.1164700000141323  0.0707799999824203  
  0.5570399999787128  0.1164700000141323  0.0707799999824203  
  0.7237000000106377  0.1164700000141323  0.0707799999824203  
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  0.0570399999760269  0.4498000000013462  0.0707799999824203  
  0.2237000000079519  0.4498000000013462  0.0707799999824203  
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  0.6184899999792961  0.5307099999950324  0.1562000000137118  
  0.4518300000051809  0.5307099999950324  0.1562000000137118  
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  0.7851599999881103  0.8640399999822392  0.1562000000137118  
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  0.9075599999805988  0.3980899999785734  0.1921399999824089  
  0.7408900000066794  0.3980899999785734  0.1921399999824089  
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  0.0752246727372352  0.6949591493416136  0.3310712641865976  
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  0.2769036731929475  0.3117066338484022  0.4597283830392840  
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  0.2386400701817522  0.2558704581122129  0.4681399379819737  
  0.1761804372112792  0.3559838454874580  0.4541999882047634  
  0.2645196446174012  0.4841035078643685  0.4334594130350240  
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  0.5327683298416304  0.3888811876285061  0.4583181579548444  



cuo_adsoprtion_1_-2H
   1.000
   17.2973003387000013    0.0000000000000000    0.0000000000000000
   -5.7788967649999998   18.0456707714000011    0.0000000000000000
    0.0000000000000000    0.0000000000000000   28.2558002471999998
   Cu   O    C    N    H 
  144  144    7    1    5
Cartesian
    1.7553633303155003    0.9051708458933916    2.5077022719389266    
    4.6381314047632474    0.9051708458933916    2.5077022719389266    
    3.6750204699083460    3.9126623366549209    2.5077022719389266    
    0.7922523954605987    3.9126623366549209    2.5077022719389266    
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    9.4409025648105995    3.9126623366549209    2.5077022719389266    
    6.5579615173594110    3.9126623366549209    2.5077022719389266    
   13.2867815741132489    0.9051708458933916    2.5077022719389266    
   16.1697226215643113    0.9051708458933916    2.5077022719389266    
   15.2066116867094099    3.9126623366549209    2.5077022719389266    
   12.3236706392583457    3.9126623366549209    2.5077022719389266    
   -0.1709163283619710    6.9203342841242206    2.5077022719389266    
    2.7118517460857761    6.9203342841242206    2.5077022719389266    
    1.7486830222632475    9.9280062315933915    2.5077022719389266    
   -1.1340850521844996    9.9280062315933915    2.5077022719389266    
    5.5947927935368416    6.9203342841242206    2.5077022719389266    
    8.4777338409880301    6.9203342841242206    2.5077022719389266    
    7.5145651171655015    9.9280062315933915    2.5077022719389266    
    4.6316240697143130    9.9280062315933915    2.5077022719389266    
   11.3605019154357763    6.9203342841242206    2.5077022719389266    
   14.2434429628868404    6.9203342841242206    2.5077022719389266    
   13.2802742390643118    9.9280062315933915    2.5077022719389266    
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    7.1534830589198135    5.3727375587689474    4.9213127290547281    
    4.2705420114686250    5.3727375587689474    4.9213127290547281    
   10.9994198571901300    2.3650656112996482    4.9213127290547281    
   13.8823609046411960    2.3650656112996482    4.9213127290547281    
   12.9191921808186265    5.3727375587689474    4.9213127290547281    
   10.0362511333675606    5.3727375587689474    4.9213127290547281    
   -2.4583358342527171    8.3804095062381183    4.9213127290547281    
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    9.0730824095450302    8.3804095062381183    4.9213127290547281    
   11.9560234569960961    8.3804095062381183    4.9213127290547281    
   10.9929125221411965   11.3879009969996474    4.9213127290547281    
    8.1099714746901306   11.3879009969996474    4.9213127290547281    
   -4.3846154929301884   14.3955729444689471    4.9213127290547281    
   -1.5018474184824413   14.3955729444689471    4.9213127290547281    
   -2.4650161423049699   17.4032448919381189    4.9213127290547281    
   -5.3477842167527170   17.4032448919381189    4.9213127290547281    
    1.3810936289686246   14.3955729444689471    4.9213127290547281    
    4.2640346764198132   14.3955729444689471    4.9213127290547281    
    3.3008659525972845   17.4032448919381189    4.9213127290547281    
    0.4179249051460960   17.4032448919381189    4.9213127290547281    
    7.1468027508675593   14.3955729444689471    4.9213127290547281    
   10.0297437983186253   14.3955729444689471    4.9213127290547281    
    9.0665750744960967   17.4032448919381189    4.9213127290547281    
    6.1836340270450307   17.4032448919381189    4.9213127290547281    
    2.9462912294004067    3.8251408334136747    7.3346406281681675    
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    1.0264611168042432    0.8176493426521448    7.3346406281681675    
    3.9094021642553085    0.8176493426521448    7.3346406281681675    
    8.7120003512993431    3.8251408334136747    7.3346406281681675    
    5.8292322768515969    3.8251408334136747    7.3346406281681675    
    6.7923432117064992    0.8176493426521448    7.3346406281681675    
    9.6751112861542445    0.8176493426521448    7.3346406281681675    
   14.4778824462015976    3.8251408334136747    7.3346406281681675    
   11.5949413987504091    3.8251408334136747    7.3346406281681675    
   12.5580523336053105    0.8176493426521448    7.3346406281681675    
   15.4409933810564990    0.8176493426521448    7.3346406281681675    
    1.0199537817553086    9.8404847283521466    7.3346406281681675    
   -1.8629872656957567    9.8404847283521466    7.3346406281681675    
   -0.8998185418731868    6.8328127808828460    7.3346406281681675    
    1.9831225055778785    6.8328127808828460    7.3346406281681675    
    6.7856629036542442    9.8404847283521466    7.3346406281681675    
    3.9028948292064989    9.8404847283521466    7.3346406281681675    
    4.8660635530290683    6.8328127808828460    7.3346406281681675    
    7.7488316274768145    6.8328127808828460    7.3346406281681675    
   12.5515449985564977    9.8404847283521466    7.3346406281681675    
    9.6686039511053110    9.8404847283521466    7.3346406281681675    
   10.6317726749278805    6.8328127808828460    7.3346406281681675    
   13.5147137223790690    6.8328127808828460    7.3346406281681675    
   -0.9063258769221214   15.8556481665828457    7.3346406281681675    
   -3.7892669243731865   15.8556481665828457    7.3346406281681675    
   -2.8260982005506579   12.8479762191136739    7.3346406281681675    
    0.0568428469004072   12.8479762191136739    7.3346406281681675    
    4.8593832449768142   15.8556481665828457    7.3346406281681675    
    1.9766151705290689   15.8556481665828457    7.3346406281681675    
    2.9397838943515975   12.8479762191136739    7.3346406281681675    
    5.8225519687993428   12.8479762191136739    7.3346406281681675    
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    8.7054930162504078   12.8479762191136739    7.3346406281681675    
   11.5884340637015981   12.8479762191136739    7.3346406281681675    
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    9.3311747466476671    5.2290586218431772    9.8348261530630197    
   10.2894478351187662    2.3238678989622343    9.7111032633036132    
    7.4090070527006322    2.3194351321902822    9.7123614807404568    
   12.2156933675410428    5.2410673649148825    9.8478403493857947    
   15.1006341610662922    5.2415786714652537    9.8488138179534275    
   16.0549044617385164    2.3284879061489860    9.7108306701830216    
   13.1702848519122533    2.3273945061629200    9.7104596011405047    
   -1.2480407398340825   11.2536172108000123    9.8528165135847043    
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    7.3888843896953000   11.2738969699855573    9.8194990118257479    
    8.3475214238225011    8.3172241724097074    9.7611437351830954    
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   10.2819826454934020   11.2664584430092738    9.8210206428235747    
   13.1668607301350491   11.2569367096387456    9.8460122714961891    
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   11.2397490895363958    8.3389173116756599    9.7071759325421461    
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    2.5968853206094131   17.2688569157474454    9.8469935962685220    
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