C H N O 1.0000000000000000 25.6007120228277110 0.0000000000000000 -2.0240257790435305 0.0000000000000000 6.2469956822286852 0.0000000000000000 -19.7887045244908393 0.0000000000000000 12.9333398695539792 C H N O 64 72 8 72 Selective dynamics Cartesian -0.5012126562267508 5.8481838277686577 3.3517580252422809 T T T 16.2075724168090503 5.8481838277686586 1.0908861304911106 T T T 12.2991433551872262 2.7246859866542787 2.3397451357204990 T T T 3.4072164053951948 2.7246859866542779 2.1028990200129130 T T T 6.3132201545636457 0.3988118544600739 7.5575560652680300 T T T -10.3955649184720116 0.3988118544600737 9.8184279600192248 T T T -6.4871358568502275 3.5223096955744118 8.5695689547898208 T T T 2.4047910929416867 3.5223096955744144 8.8064150704974438 T T T 0.1221385913906578 5.3447034215951366 2.2031005828494243 T T T 15.5842211691916130 5.3447034215951419 2.2395435728839681 T T T 12.9224946028045782 2.2212055804807616 1.1910876933276673 T T T 2.7838651577777966 2.2212055804807571 3.2515564624057065 T T T 5.6898689069461952 0.9022922606335670 8.7062135076609124 T T T -9.7722136708548231 0.9022922606335678 8.6697705176261977 T T T -7.1104871044676399 4.0257901017478801 9.7182263971826828 T T T 3.0281423405590653 4.0257901017478712 7.6577576281046102 T T T 0.4664141267524807 0.4480450122481175 1.6695949653061217 T T T 15.2399456338297821 0.4480450122481162 2.7730491904272974 T T T 13.2667701381663399 3.5715428533624696 0.6575820757843448 T T T 2.4395896224159475 3.5715428533624722 3.7850620799490242 T T T 5.3455933715843464 5.7989506699806501 9.2397191252041004 T T T -9.4279381354928251 5.7989506699806501 8.1362649000830931 T T T -7.4547626398295641 2.6754528288662329 10.2517320147259596 T T T 3.3724178759208692 2.6754528288662356 7.1242520105612650 T T T -3.5026586918006637 0.8445296216237183 8.3212902794289434 T T T -0.5796860721079722 0.8445296216237158 9.0546937458582839 T T T 9.2976973196133432 3.9680274627380392 7.3092773899071153 T T T -13.3800420835218894 3.9680274627380370 10.0667066353801324 T T T 9.3146661901375190 5.4024660606050325 2.5880238110813902 T T T 6.3916935704448266 5.4024660606050245 1.8546203446520138 T T T -3.4856898212763867 2.2789682194906451 3.6000367006031362 T T T 19.1920495818584129 2.2789682194906402 0.8426074551302548 T T T -3.7286234197127821 5.7530490408464985 8.8474895225820642 T T T -0.3537213441958196 5.7530490408464994 8.5284945027052093 T T T 9.0717325917011156 2.6295511997322016 7.8354766330605106 T T T -13.1540773556096813 2.6295511997322003 9.5405073922269406 T T T 9.5406309180496436 0.4939466413821574 2.0618245679281615 T T T 6.1657288425327579 0.4939466413821565 2.3808195878052270 T T T -3.2597250933642625 3.6174444824964977 3.0738374574499110 T T T 18.9660848539467537 3.6174444824964969 1.3688066982834795 T T T -3.0998812715313924 5.1987632091377911 7.5639304881910938 T T T -0.9824634923772269 5.1987632091377804 9.8120535370961655 T T T 9.7004747398823650 2.0752653680234263 6.5519175986693252 T T T -13.7828195037912273 2.0752653680234303 10.8240664266179198 T T T 8.9118887698682201 1.0482324730909351 3.3453836023192629 T T T 6.7944709907140908 1.0482324730909338 1.0972605534141389 T T T -3.8884672415456101 4.1717303142053099 4.3573964918410830 T T T 19.5948270021280671 4.1717303142053153 0.0852476638923781 T T T -2.8244805896355070 0.4012576277866990 7.1209387369145123 T T T -1.2578641742731382 0.4012576277866997 10.2550452883727790 T T T 9.9758754217784311 3.5247554689010490 6.1089258473927508 T T T -14.0582201856869577 3.5247554689010454 11.2670581778945902 T T T 8.6364880879723529 5.8457380544420108 3.7883753535958227 T T T 7.0698716726099606 5.8457380544420179 0.6542688021375492 T T T -4.1638679234415248 2.7222402133276384 4.8003882431175802 T T T 19.8702276840239023 2.7222402133276433 -0.3577440873842132 T T T -0.2961096914273091 1.0160852141759609 3.0157010207243351 T T T 16.0024694520095920 1.0160852141759624 1.4269431350090720 T T T 12.5042463199866489 4.1395830552903501 2.0036881312025523 T T T 3.2021134405956988 4.1395830552903394 2.4389560245308344 T T T 6.1081171897642106 5.2309104680527332 7.8936130697860678 T T T -10.1904619536728092 5.2309104680527385 9.4823709555012510 T T T -6.6922388216497435 2.1074126269383480 8.9056259593076952 T T T 2.6098940577410992 2.1074126269383560 8.4703580659795428 T T T -1.6913571539027394 2.3434293633088159 6.4018359521862003 T T T -2.3909876100058440 2.3434293633088208 10.9741480731011301 T T T 11.1089988575111391 5.4669272044232109 5.3898230626644414 T T T -15.1913436214197777 5.4669272044232056 11.9861609626229644 T T T 7.5033646522395916 3.9035663189198844 4.5074781383241644 T T T 8.2029951083426695 3.9035663189198844 -0.0648339825907691 T T T -5.2969913591743412 0.7800684778055383 5.5194910278458984 T T T 21.0033511197566867 0.7800684778055397 -1.0768468721125326 T T T 0.1846219454521190 2.3363559279666379 5.9949090574701129 T T T -4.2669667093606947 2.3363559279666379 11.3810749678172218 T T T 12.9849779568661639 5.4598537690810254 4.9828961679483434 T T T -17.0673227207745697 5.4598537690810165 12.3930878573389514 T T T 5.6273855528847285 3.9106397542620837 4.9144050330402083 T T T 10.0789742076976943 3.9106397542620805 -0.4717608773068416 T T T -7.1729704585291660 0.7871419131477145 5.9264179225619751 T T T 22.8793302191116013 0.7871419131477135 -1.4837737668286086 T T T -0.3517070056405905 3.8209967862562908 7.1542198799355035 T T T -3.7306377582680663 3.8209967862562944 10.2217641453517256 T T T 12.4486490057733707 0.6974989451419488 6.1422069904137260 T T T -16.5309937696816789 0.6974989451419497 11.2337770348735528 T T T 6.1637145039773982 2.4259988959723979 3.7550942105748444 T T T 9.5426452566051054 2.4259988959723970 0.6875499451585775 T T T -6.6366415074364431 5.5494967370867592 4.7671071000965730 T T T 22.3430012680185328 5.5494967370867609 -0.3244629443631895 T T T -0.7936504987656074 3.6888525242743664 5.2862389707813708 T T T 16.5000102593479028 3.6888525242743690 -0.8435948150479875 T T T 12.0067055126483488 0.5653546831600115 4.2742260812595729 T T T 3.6996542479340104 0.5653546831600101 0.1684180744737678 T T T 6.6056579971024920 2.5581431579543175 5.6230751197289521 T T T -10.6880027610112247 2.5581431579543183 11.7529089055583924 T T T -6.1946980143114301 5.6816409990686836 6.6350880092507305 T T T 2.1123532504028097 5.6816409990686800 10.7408960160365510 T T T 13.7921715671640719 0.7927557989079075 -0.9524176578236324 T T T 1.9141881934182197 0.7927557989079088 5.3950618135570174 T T T 0.9918155557502057 3.9162536400222598 0.0595952316981276 T T T 14.7145442048320199 3.9162536400222545 4.3830489240352835 T T T -7.9801640688273148 5.4542398833207608 11.8617317483340301 T T T 3.8978193049186105 5.4542398833207617 5.5142522769533011 T T T 4.8201919425866162 2.3307420422064413 10.8497188588122828 T T T -8.9025367064953436 2.3307420422064400 6.5262651664750777 T T T -4.7341585152221413 0.1377034188443444 11.1448711301991867 T T T 0.6518137513135438 0.1377034188443443 6.2311128950879970 T T T -17.5345145266357996 3.2612012599586988 12.1568840197209838 T T T 13.4521697627274737 3.2612012599587006 5.2191000055662355 T T T 10.5461660135590751 6.1092922633844093 -0.2355570396889094 T T T 5.1601937470233059 6.1092922633844093 4.6782011954223446 T T T 23.3465220249727139 2.9857944222700414 -1.2475699292106790 T T T -7.6401622643906073 2.9857944222700423 5.6902140849440821 T T T -3.3725506969316958 2.8038867039683932 8.0761319737514725 T T T -0.7097940669769308 2.8038867039683897 9.2998520515358738 T T T 9.4278053144823524 5.9273845450826848 7.0641190842296391 T T T -13.5101500783908648 5.9273845450826848 10.3118649410575873 T T T 9.1845581952685578 3.4431089782603199 2.8331821167588163 T T T 6.5218015653138544 3.4431089782603146 1.6094620389745200 T T T -3.6157978161453550 0.3196111371459932 3.8451950062806235 T T T 19.3221575767273954 0.3196111371459942 0.5974491494527675 T T T -0.1416447857851670 3.3836514754621114 2.4973045478757019 T T T 15.8480045463673456 3.3836514754621096 1.9453396078577145 T T T 12.6587112256286858 0.2601536343477771 1.4852916583539248 T T T 3.0476485349535691 0.2601536343477766 2.9573524973795062 T T T 5.9536522841219739 2.8633442067665609 8.4120095426346495 T T T -10.0359970480305307 2.8633442067665600 8.9639744826525352 T T T -6.8467037272918763 5.9868420478809252 9.4240224321564661 T T T 2.7643589633832599 5.9868420478809243 7.9519615931308234 T T T -1.4575371209821866 5.9796013448423286 5.0877650512523163 T T T 17.1638968815647246 5.9796013448423313 -0.6451208955189366 T T T 11.3428188904319054 2.8561035037279643 4.0757521617306001 T T T 4.3635408701505574 2.8561035037279687 0.3668919940028305 T T T 7.2695446193189897 0.2673943373863937 5.8215490392579960 T T T -11.3518893832275847 0.2673943373863926 11.5544349860291433 T T T -5.5308113920948498 3.3908921785007209 6.8335619287797735 T T T 1.4484666281862317 3.3908921785007182 10.5424220965075239 T T T -0.6166399881264077 3.0563624935009366 6.1120120092426182 T T T -3.4657047757822452 3.0563624935009339 11.2639720160446704 T T T 12.1837160232875465 6.1798603346153156 5.0999991197208834 T T T -16.2660607871961709 6.1798603346153138 12.2759849055665349 T T T 6.4286474864632401 3.1906331887277508 4.7973020812677154 T T T 9.2777122741190148 3.1906331887277499 -0.3546579255343026 T T T -6.3717085249506642 0.0671353476134015 5.8093149707894902 T T T 22.0780682855327406 0.0671353476134016 -1.3666708150560660 T T T -0.5655675638094702 2.1658103990205766 3.5512800287478687 T T T 16.2719273243917364 2.1658103990205775 0.8913641269855440 T T T 12.2347884476042665 5.2893082401349369 2.5392671392261041 T T T 3.4715713129779147 5.2893082401349441 1.9033770165073183 T T T 6.3775750621463931 4.0811852832080948 7.3580340617624751 T T T -10.4599198260550015 4.0811852832080966 10.0179499635246696 T T T -6.4227809492675210 0.9576874420937793 8.3700469512843139 T T T 2.3404361853589450 0.9576874420937775 9.0059370740030502 T T T -1.1333544054993021 5.1884404902903851 4.4719775307944367 T T T 16.8397141660814391 5.1884404902903762 -0.0293333750610080 T T T 11.6670016059147272 2.0649426491759866 3.4599646412726410 T T T 4.0393581546677142 2.0649426491759857 0.9826795144607513 T T T 6.9453619038361225 1.0585551919383531 6.4373365597158987 T T T -11.0277066677447362 1.0585551919383551 10.9386474655714672 T T T -5.8549941075777072 4.1820530330526591 7.4493494492376513 T T T 1.7726493436691499 4.1820530330526546 9.9266345760497305 T T T 0.3486400141531210 4.0205901597451330 1.7391766943246556 T T T 15.3577197464291189 4.0205901597451366 2.7034674614087342 T T T 13.1489960255670031 0.8970923186307758 0.7271638048028780 T T T 2.5573637350153042 0.8970923186307775 3.7154803509305010 T T T 5.4633674841837854 2.2264055224835526 9.1701373961856731 T T T -9.5457122480922880 2.2264055224835562 8.2058466291016110 T T T -7.3369885272301811 5.3499033635979263 10.1821502857074453 T T T 3.2546437633215333 5.3499033635979245 7.1938337395798024 T T T 13.9456226587542407 4.0714243698450980 -0.3082098547587181 T T T 1.7607371018281797 4.0714243698450909 4.7508540104920778 T T T 1.1452666473402295 0.9479265287307881 0.7038030347630504 T T T 14.5610931132419790 0.9479265287307888 3.7388411209704184 T T T -8.1336151604173459 2.1755713123835845 11.2175239452690167 T T T 4.0512703965086727 2.1755713123835800 6.1584600800182994 T T T 4.6667408509966410 5.2990691534979355 10.2055110557472428 T T T -8.7490856149051961 5.2990691534979373 7.1704729695400005 T T T -3.7181628915926939 2.1301076623699120 8.8670018419077667 T T T -0.3641818723159646 2.1301076623699124 8.5089821833796417 T T T 9.0821931198210724 5.2536055034843203 7.8549889523859031 T T T -13.1645378837298388 5.2536055034843221 9.5209950729013642 T T T 9.5301703899294790 4.1168880198587203 2.0423122486026193 T T T 6.1761893706528239 4.1168880198587257 2.4003319071307692 T T T -3.2701856214843446 0.9933901787444052 3.0543251381243923 T T T 18.9765453820663730 0.9933901787444053 1.3883190176089972 T T T -4.1306622529552612 5.2439508078779236 10.0303839873956928 T T T 0.0483174890466244 5.2439508078779253 7.3456000378916579 T T T 8.6696937584585640 2.1204529667636036 9.0183710978739509 T T T -12.7520385223672470 2.1204529667636018 8.3576129274134132 T T T 9.9426697512921507 1.0030448743507623 0.8789301031147273 T T T 5.7636900092902303 1.0030448743507598 3.5637140526186797 T T T -2.8576862601218207 4.1265427154650611 1.8909429926364811 T T T 18.5640460207045237 4.1265427154650611 2.5517011630968875 T T T -2.0965737239795557 0.9404939702314279 6.1201045373445675 T T T -1.9857710399290729 0.9404939702314278 11.2558794879427371 T T T 10.7037822874343842 4.0639918113457467 5.1080916478227980 T T T -14.7861270513431009 4.0639918113457583 12.2678923774644879 T T T 7.9085812223163297 5.3065017119972655 4.7892095531657963 T T T 7.7977785382658951 5.3065017119972797 -0.3465653974323855 T T T -4.8917747890974965 2.1830038708829242 5.8012224426875623 T T T 20.5981345496797665 2.1830038708829260 -1.3585782869541518 T T T -2.8045928918415144 4.0271976465299701 7.0991145724397020 T T T -1.2777518720670973 4.0271976465299746 10.2768694528474747 T T T 9.9957631195722652 0.9036998054155271 6.0871016829179014 T T T -14.0781078834808611 0.9036998054155244 11.2888823423692362 T T T 8.6166003901783661 2.2197980356988340 3.8101995180706267 T T T 7.0897593704039563 2.2197980356988269 0.6324446376627800 T T T -4.1837556212355551 5.3432958768131522 4.8222124075923878 T T T 19.8901153818178678 5.3432958768131513 -0.3795682518589867 T T T -5.3103642928879928 1.0244130170280634 11.2598606226776692 T T T 1.2280195289793712 1.0244130170280590 6.1161234026096398 T T T -18.1107203043019709 4.1479108581423665 12.2718735121993472 T T T 14.0283755403931796 4.1479108581423674 5.1041105130878579 T T T 11.1223717912248325 5.2225826652006448 -0.3505465321673118 T T T 4.5839879693574463 5.2225826652006484 4.7931906879007302 T T T 23.9227278026386863 2.0990848240863271 -1.3625594216890846 T T T -8.2163680420563878 2.0990848240863289 5.8052035774225086 T T T