name
stringlengths 6
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float64 4.31
15.2
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stringlengths 178
8.29k
|
|---|---|---|
POSXUS
| 7.80313
|
Br 3.18820702 -0.48542329 7.29530946
O 10.54632003 3.78890342 5.55755542
O 11.68544501 2.18884489 4.47013367
N 8.48639589 2.14390128 6.01920185
H 8.65693025 3.05794668 6.41372683
C 8.98796148 1.61985166 3.64896068
C 8.02162666 2.47979978 3.19869167
H 7.57512238 3.19801568 3.87093411
C 7.58312747 2.43901818 1.86014243
C 6.58074126 3.30455675 1.37531214
H 6.13524469 4.01527516 2.05657378
C 6.17900859 3.24470164 0.07025056
H 5.40997739 3.91007908 -0.29391251
C 6.75944711 2.31856773 -0.81007774
H 6.42912514 2.28526056 -1.83781661
C 7.73325298 1.46553127 -0.37050946
H 8.18256603 0.75010548 -1.04460724
C 8.16969993 1.50158515 0.96938278
C 9.17200674 0.63759652 1.45882260
H 9.61954990 -0.07589931 0.78180591
C 9.56979634 0.69335470 2.76367721
H 10.33880745 0.02903125 3.13046727
C 9.47145567 1.68107456 5.08978579
H 9.87092596 0.69941275 5.38366052
C 7.29310132 1.53621834 6.27724181
C 6.93956310 0.31034944 5.70418113
H 7.60568833 -0.18013414 5.01261388
C 5.73014652 -0.28312861 6.00572436
H 5.46558319 -1.22863672 5.55730968
C 4.85945131 0.33907008 6.88188578
C 5.18439839 1.55467518 7.46142254
H 4.49735484 2.03383764 8.14216493
C 6.39105470 2.14616343 7.15901727
H 6.65147155 3.09380517 7.60733850
C 10.62423292 2.68359422 5.08771148
C 12.81311150 3.05598783 4.29879703
H 12.45079583 4.07506036 4.12889382
H 13.40036057 3.04745297 5.22347030
C 13.62845049 2.54829053 3.12518931
H 13.02448000 2.55142847 2.22165701
H 13.96510566 1.53306216 3.31552516
H 14.49330841 3.18841210 2.97828490
|
LIZLIS
| 7.43496
|
N 0.79447923 3.63296232 1.75219558
N 0.79933172 3.42981133 3.94632829
N -0.86621019 2.02800277 4.49000334
N 3.06325810 5.28514154 4.08539918
N 3.10007100 5.51628669 1.85873676
C 1.39914294 4.02600135 2.86342112
C -0.20197393 2.78369100 2.08494833
H -0.82402666 2.33992919 1.33583237
C -0.21524800 2.64127129 3.45250310
C -0.23226610 2.41949189 5.64964195
C -0.48345831 2.07910269 6.97001316
H -1.27564713 1.39404074 7.22907547
C 0.32112610 2.64735036 7.94224770
H 0.14574884 2.39771712 8.97805161
C 1.34722593 3.52771081 7.61609863
H 1.95123777 3.94858758 8.40496424
C 1.61230339 3.87495616 6.30151625
H 2.40169895 4.55286975 6.01960879
C 0.81444856 3.31200010 5.32462690
C -1.93850140 1.08358173 4.37505234
H -2.35022341 1.13489300 3.36937524
H -2.72444914 1.32540250 5.09364784
H -1.59032561 0.06324694 4.56527265
C 2.50576743 4.92899626 2.94765279
C 4.07131772 6.14297677 3.75725478
C 4.98216559 6.81936476 4.56243115
H 4.96119108 6.70378119 5.63438825
C 5.90280356 7.63494500 3.93929260
H 6.62368908 8.17433349 4.53635167
C 5.93143265 7.78565878 2.55106888
H 6.67185639 8.43635659 2.10928812
C 5.03741949 7.12404949 1.73298231
H 5.06150804 7.24110461 0.65979571
C 4.10830250 6.30170999 2.35051726
C 2.77066611 5.36937110 0.46908435
H 3.62881580 4.96935722 -0.07641791
H 2.50497083 6.34008202 0.04469528
H 1.92805106 4.68496390 0.38705391
|
SARCUM
| 8.66546
|
Br 4.33260772 2.61729301 3.96757337
Br 6.74877735 -2.10722812 2.00005081
Br 4.42315236 0.13206778 1.87965616
Br 6.65448720 2.91112875 6.30683141
O 9.91666892 -4.02843141 1.51000253
O 9.83311991 -2.71964531 -0.30672644
N 8.86436992 -1.26819098 4.59528034
C 9.40469982 -0.60371478 5.65296199
H 10.29159614 -0.94950868 6.14683112
N 8.75044963 0.45822074 6.00643434
C 7.70529140 0.53979666 5.14109599
C 6.69073885 1.49102966 5.07782940
C 5.72609691 1.35220783 4.09417857
C 5.77019981 0.27758597 3.19173382
C 6.77671576 -0.67991128 3.24613864
C 7.75715462 -0.54797952 4.22430318
C 9.46424923 -2.42559838 3.97829169
H 8.68906764 -3.11273444 3.63547528
H 10.05784976 -2.92471481 4.74714897
C 10.35814971 -2.01644205 2.80384415
H 9.77184770 -1.44136235 2.08380755
H 11.17182602 -1.38313933 3.16165841
C 10.95920981 -3.21887188 2.06404142
H 11.55643129 -2.82340206 1.23097663
C 11.81918609 -4.11568649 2.94343284
H 12.30706512 -4.86982336 2.33185745
H 11.20774319 -4.62615883 3.68170556
H 12.58087550 -3.52536625 3.44444166
C 9.44458159 -3.67957331 0.30253380
C 8.39412090 -4.64613186 -0.16504210
H 8.26279172 -5.44128891 0.56049400
H 8.69162507 -5.05494083 -1.12757641
H 7.45805335 -4.11018518 -0.30446613
|
UDOGEC
| 9.25649
|
Br 3.75655180 3.15272749 1.48795249
S -0.99987337 -3.43395764 4.02932992
O 2.24629688 0.17212772 7.90681667
C 1.13124226 -0.94381326 6.21489127
O 4.33278312 -0.51077962 7.41231025
O -2.25157092 -2.72878206 3.76416204
C 2.95052937 0.59249252 2.45178640
H 3.94679523 0.28385641 2.17581575
C 3.16010483 -0.52176355 7.17358272
C 2.54485804 1.90092679 2.25358990
C 1.26695720 2.31438384 2.59419762
H 0.96465162 3.33664870 2.42787537
N 0.22228641 -2.20377996 4.25608445
C -0.37650120 -4.01577236 2.36934630
C 2.43267807 -1.22516826 6.10180355
H 2.92200276 -1.86505420 5.39708200
C 2.06374749 -0.31063682 3.00707185
H 2.35974097 -1.33678159 3.15340876
C -0.00865994 -1.34616768 5.39373171
H -0.94157186 -1.47653312 5.94096642
C 0.77897670 0.08443012 3.36227856
C 0.95260069 -0.02633511 7.39162156
H 0.52643324 0.94085273 7.10018297
H 0.31641526 -0.46415415 8.16959611
C -0.17682987 -0.85768272 3.98091743
H -1.21815139 -0.72088780 3.68363517
C -1.34606393 -5.12867922 1.99852592
H -1.32109953 -5.92434151 2.74145583
H -1.09383866 -5.55448395 1.02873501
H -2.35987646 -4.73591184 1.95062350
C 0.38829462 1.40260210 3.14620176
H -0.61028468 1.71576599 3.41272655
C -0.44281602 -2.87347086 1.37674715
H -1.42068139 -2.39762925 1.43682145
H -0.30432668 -3.24263703 0.36163021
H 0.32314305 -2.12871555 1.57869212
C 1.02757064 -4.53868136 2.59914130
H 1.67939465 -3.73759169 2.93668847
H 1.43427042 -4.95611716 1.67955015
H 1.02262058 -5.31820510 3.35852333
|
DOXMIO
| 8.54166
|
O 3.34358930 6.11430518 13.16504334
O 4.72553019 4.64015058 12.22466062
H 5.05620843 4.57378637 13.13405340
O 3.52667976 4.56567088 7.35651518
O 0.25018579 6.04892008 6.73040465
O 1.56329716 7.04371229 4.72030847
H 0.66058335 6.73946653 4.92018550
C 3.14138479 5.70062079 10.82878856
C 3.65971903 5.01522806 9.73488940
H 4.49123230 4.34895749 9.88942725
C 3.10319812 5.20527411 8.47772024
C 2.01823622 6.08695866 8.32434176
C 1.48624681 6.75705017 9.42998708
C 2.06256534 6.56263952 10.67507998
H 1.68249026 7.07144437 11.54735781
C 1.40993575 6.28905895 6.98128383
C 2.30486163 6.87273968 5.89643540
H 3.11398482 6.15118016 5.71164001
C 2.92223141 8.20579392 6.35634503
H 2.12170303 8.94464841 6.43204276
H 3.37151770 8.07340132 7.34270767
C 3.96372909 8.68896735 5.35663042
H 3.51914422 8.74627762 4.36686621
H 4.80489001 8.00043843 5.31991231
H 4.33152139 9.67338762 5.63554233
C 4.55975599 3.61223365 7.46762439
H 4.28473669 2.80172518 8.14844977
H 5.49400679 4.07235714 7.80383230
H 4.69525613 3.21137959 6.46486705
C 0.32197124 7.68399539 9.27071009
H -0.54717220 7.13569080 8.91230481
H 0.54375079 8.46082504 8.54074220
H 0.07575593 8.15284421 10.21909888
C 3.71837271 5.52857046 12.18070130
|
GACCIY
| 7.00039
|
P 3.11165469 10.89315501 21.77021805
S 4.63012596 6.84198442 21.57178251
S 5.48598072 8.77651191 18.84456900
C 3.47925955 9.20106612 22.31025737
C 4.22346728 8.54480609 21.36684802
C 5.30223821 6.28933517 19.96063779
H 6.39084044 6.34639409 20.01081889
H 4.99846027 5.24382472 19.88663469
C 4.78100128 7.09632719 18.80107880
H 3.69273761 7.17328020 18.81101690
H 5.10793422 6.66584943 17.85449762
C 4.61724225 9.37772574 20.25548391
C 4.21523734 10.67902494 20.34852447
C 4.44918008 11.73719733 19.38874886
C 5.66076374 11.85366783 18.70671364
H 6.45997845 11.15924599 18.91753680
C 5.85204748 12.87188793 17.79184474
H 6.79421651 12.94979893 17.26953196
C 4.84760176 13.79384897 17.54897435
H 5.00104049 14.58812563 16.83361255
C 3.64590053 13.69884616 18.23430349
H 2.86113619 14.41911348 18.05391217
C 3.44940343 12.68343397 19.14747597
H 2.50879514 12.59652023 19.67776760
C 2.88150479 8.68359976 23.52653458
C 3.49117481 7.70271182 24.31139081
H 4.45644313 7.31299295 24.02908297
C 2.88710335 7.25700025 25.47171510
H 3.37401899 6.49804486 26.06644188
C 1.67129495 7.78096334 25.87818179
H 1.20197163 7.42694324 26.78392447
C 1.06516163 8.77069103 25.11983615
H 0.12169821 9.19255059 25.43421916
C 1.66503247 9.21865625 23.96156861
H 1.19002525 9.98818890 23.36490724
C 4.17267671 11.89958151 22.88077223
C 4.61090533 13.13804156 22.42085099
H 4.36315513 13.46062955 21.41962324
C 5.37330518 13.95068451 23.23832472
H 5.71945907 14.90540582 22.86986662
C 5.68831921 13.54514731 24.52515637
H 6.28275800 14.18174468 25.16363758
C 5.23313503 12.32384976 24.99087657
H 5.46952636 12.00434689 25.99547485
C 4.47300663 11.50167621 24.17721294
H 4.12008051 10.55397775 24.55521099
|
FACVIP
| 8.28559
|
O 2.96055458 2.44418300 12.89929272
N 3.71511277 0.29850241 13.06482931
H 3.43734802 -0.66312106 12.92784291
C 5.00479140 0.46719676 13.59575216
C 5.61606293 1.64004559 13.73090275
H 5.14523053 2.56331478 13.45299280
H 6.60144450 1.68560617 14.15889299
C 5.65701505 -0.80970393 13.96580618
C 6.85861379 -1.14257130 13.38828700
H 7.31672152 -0.45682828 12.69098369
C 7.48527573 -2.36260401 13.67221478
H 8.42624940 -2.59645995 13.19671389
C 6.90163446 -3.25237828 14.52948572
H 7.36908544 -4.20332671 14.74083583
C 5.68177868 -2.94202429 15.16510966
C 5.07794623 -3.83460231 16.07620242
H 5.56144806 -4.78221429 16.26671919
C 3.91514287 -3.50749459 16.71361016
H 3.46070961 -4.19599935 17.41069763
C 3.31205072 -2.26262169 16.47950481
H 2.40804548 -2.00264168 17.01044040
C 3.86501027 -1.37929917 15.59481535
H 3.40697951 -0.41295087 15.44395945
C 5.05054877 -1.69776084 14.89598192
C 2.79064407 1.25594424 12.76208672
C 1.50286015 0.65235141 12.23220334
H 1.70181667 0.07674307 11.33046716
H 0.80350146 1.44990275 12.00065009
H 1.06067733 -0.00638755 12.97731900
|
EZORUH
| 9.5599
|
Br -0.03064419 1.94770465 11.96416976
S -0.39819302 7.70378445 13.48601666
O 0.03700612 8.71481623 14.40249465
O -1.79352213 7.53886416 13.21450767
N 0.14571668 6.26088871 14.09516182
C -0.20062335 5.02269719 13.42694817
C 1.12036441 4.25407419 13.26912682
C 0.96891245 2.75049267 13.45069295
C 2.32296350 2.07810450 13.59377711
C 3.04185621 2.60798604 14.83711554
C 2.81254942 4.07161931 15.11712910
C 1.93072454 4.78824187 14.43225238
C 1.46984999 6.19558685 14.68617889
C 1.80274691 4.63617219 11.95118810
C 3.62036347 4.61512593 16.25633524
C 0.46054379 7.92773592 11.93023147
C 1.69738861 8.54399528 11.91650121
C 2.38997827 8.64982066 10.72238948
C 1.85132905 8.14591234 9.54284093
C 0.59441621 7.54795673 9.57677060
C -0.10302371 7.43864648 10.76630057
C 2.59160949 8.27429888 8.24818637
H -0.68977618 5.23536489 12.47642410
H -0.90683541 4.46424754 14.05492625
H 0.35686597 2.54877324 14.33375684
H 2.91949542 2.26616216 12.70018215
H 2.19527672 0.99664614 13.67775489
H 2.69613010 2.05530739 15.71737025
H 4.11349510 2.41520894 14.74635892
H 1.40022188 6.43021756 15.75174126
H 2.13616849 6.93232796 14.22151816
H 2.81796069 4.24812617 11.90751863
H 1.85653491 5.71839743 11.86355112
H 1.24184609 4.25345890 11.10052464
H 3.44078065 4.02883980 17.15704940
H 3.38145805 5.65372983 16.45853196
H 4.68279773 4.54381923 16.02461981
H 2.08981587 8.95163446 12.83534146
H 3.35686128 9.13147834 10.70475434
H 0.16089137 7.16765847 8.66350958
H -1.08612509 6.99644903 10.80666952
H 3.65908889 8.39007665 8.41755643
H 2.23778469 9.15217125 7.70691841
H 2.42325005 7.40427938 7.61780641
|
GAGKAB
| 11.15258
|
C 8.93980893 3.15417296 11.51081360
H 9.00814832 3.92493690 10.74963490
H 9.96756072 2.95695082 11.80127640
C 5.54281183 3.03645398 12.67520418
C 5.47169780 4.54244816 12.89221090
H 5.00472249 4.69166449 13.87705965
C 4.64398031 5.25083662 11.82767172
H 4.45814304 6.27861994 12.12433306
H 3.69913063 4.72752976 11.70740344
H 5.17741732 5.25543199 10.88134444
C 9.95443298 5.11684103 14.16848710
C 9.52055408 3.99891495 15.12207774
H 9.15529902 4.46114576 16.04760271
C 10.69889929 3.08470684 15.43559974
H 10.37814738 2.26222795 16.06897650
H 11.46643512 3.66258638 15.94152496
H 11.11748146 2.68422911 14.51510891
C 9.10367380 0.65887732 11.25608920
C 8.24572160 -0.53919835 10.82612905
H 8.81899461 -1.45194720 10.99310304
H 7.36077411 -0.57982191 11.46527384
C 7.79662049 -0.46626359 9.37401215
H 8.65114130 -0.52591654 8.69912520
H 7.15269721 -1.31733253 9.15026292
C 7.01993617 0.82354509 9.15545764
H 6.11198565 0.79203376 9.76270560
H 6.71644227 0.90515329 8.11101073
C 7.81130841 2.08569669 9.52935406
C 9.25920849 0.58714179 12.77883708
H 10.04011754 1.24773016 13.13724054
H 9.52200707 -0.42775614 13.06606886
H 8.33757915 0.85969131 13.28383127
C 10.48792521 0.61146932 10.61078816
H 10.99269958 1.57065178 10.67076705
H 10.45310771 0.30610666 9.57133179
H 11.09362516 -0.11506557 11.14627903
C 6.81072517 3.24664622 9.52884390
H 7.28705207 4.20667345 9.69915661
H 6.04841898 3.09650624 10.28796514
H 6.31142622 3.28520372 8.56367992
C 8.92192347 2.37813452 8.52005293
H 9.67340191 3.04150369 8.93625978
H 8.48991854 2.86901127 7.65214704
H 9.41136490 1.47478059 8.17405194
N 8.33505938 1.91860941 10.93372190
H 7.48836503 1.82411598 11.52976772
O 6.73823543 2.57958344 12.87767177
O 6.78307585 5.01233369 12.93969651
O 9.20469579 5.16291830 13.11387029
O 8.46498002 3.30982046 14.51908584
O 4.61219091 2.35441993 12.31361349
O 10.90405788 5.82672159 14.37961865
Si 7.99247218 3.91512451 13.06979943
|
QOJJEF
| 7.65048
|
Se 10.71542374 10.86960674 5.82658810
Se 9.86269468 7.79811060 5.71190460
P 12.15639972 10.44378491 4.32452232
P 11.13042137 7.88322742 3.85936014
N 12.40066934 8.84012009 4.03407845
N 8.25475512 5.71402485 3.05347288
C 11.74893522 11.21553374 2.72175295
C 12.67487985 11.09705042 1.69316659
H 13.62307023 10.61390107 1.88768880
C 12.36887260 11.59394917 0.44095492
H 13.08499853 11.50811257 -0.36350441
C 11.14266344 12.20160159 0.21749416
H 10.90529759 12.58634369 -0.76361071
C 10.22371084 12.32020342 1.24621302
H 9.27090383 12.79706192 1.07008046
C 10.52626907 11.82698306 2.50290225
H 9.82460322 11.91613812 3.32177114
C 13.80236841 11.06685256 4.73197084
C 14.90563387 10.23141909 4.81244285
H 14.78489202 9.17736891 4.60920598
C 16.13705771 10.76474224 5.14987899
H 17.00271841 10.12134759 5.21511908
C 16.26052573 12.12037446 5.40699870
H 17.22368074 12.53145854 5.67228392
C 15.15285963 12.95148746 5.33283851
H 15.25247196 14.00653108 5.54123104
C 13.92027635 12.42523107 4.99735977
H 13.03610369 13.04771484 4.94935963
C 10.10480679 8.37929887 2.44135280
C 10.72564048 8.39569188 1.19761847
H 11.74217304 8.03575997 1.10471228
C 10.03822765 8.88004166 0.10190339
H 10.51296795 8.89169913 -0.86796907
C 8.74472857 9.35565256 0.25092361
H 8.21137222 9.73530535 -0.60774823
C 8.13722711 9.35303643 1.49500299
H 7.13301020 9.73166660 1.61019584
C 8.81841396 8.86819196 2.59684711
H 8.35521588 8.87342202 3.57549520
C 11.84425528 6.24599792 3.58420648
C 11.43613766 5.40538503 2.55831815
H 10.65037377 5.71231112 1.88345587
C 12.03985876 4.16710030 2.42030597
H 11.72842160 3.50822806 1.62377053
C 13.03413786 3.77207367 3.30088791
H 13.49711152 2.80291807 3.18898725
C 13.43613227 4.61431391 4.32662499
H 14.21006663 4.30344524 5.01261630
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H 13.13502516 6.53014309 5.26175307
C 9.26208280 5.88590582 5.40830567
H 10.11761077 5.21895152 5.52682455
H 8.51722706 5.69181948 6.18194144
C 8.69257503 5.76786782 4.11102211
|
AJETOZ
| 7.5996
|
Cl 6.74367404 -2.57134765 2.04277067
N 0.87182157 7.76604584 -0.44842844
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H 4.16241625 1.87908493 2.10550481
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C 6.88722243 -0.04887061 -1.03748974
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C 5.68284080 -0.16324295 1.46075744
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|
GUZWON
| 9.38928
|
P 17.56793829 4.16090606 6.47287704
P 18.59423646 1.73063326 7.41693682
N 18.58722617 3.34246211 7.41638366
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C 16.25615184 5.08492400 8.71214421
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H 18.18815208 4.59399567 9.47885359
C 16.70403779 4.60807123 11.02344725
H 17.40767056 4.33647440 11.79616627
C 15.37234807 4.82518145 11.33664443
H 15.02947849 4.72168085 12.35541540
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C 14.91909569 5.30774799 9.03026543
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C 18.79056744 1.65786612 10.13759504
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H 20.36468135 2.74442896 9.19753189
C 20.67401192 1.10323741 5.81244388
C 20.11255983 1.82506882 4.76346267
H 19.28046220 2.48752910 4.95951659
C 20.61539874 1.70630137 3.48180392
H 20.15947355 2.27061246 2.68166916
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H 22.08922925 0.78590173 2.22975547
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H 22.20875556 -0.28628549 6.36551712
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N 16.54856074 3.34286400 5.52910500
N 18.42164457 5.26733121 5.54554553
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H 21.69574113 5.35564169 2.37973142
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N 16.79590249 1.10277068 4.00225629
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C 16.96926217 1.34004158 1.60645829
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N 14.97388262 1.21423491 5.84701628
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C 15.02292980 1.82744627 8.18328416
H 15.85387652 2.49102238 7.98622010
C 14.52161682 1.70815959 9.46548956
H 14.97764031 2.27315584 10.26508330
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C 12.86717364 0.16944189 8.67539479
H 12.02177427 -0.47652837 8.86215054
C 13.37219267 0.27530351 7.39342747
H 12.92801567 -0.28703840 6.58369951
|
VABMIW
| 6.8521
|
O -5.69825576 8.14125150 5.66126571
N 1.68455412 4.23947923 4.12331932
C -5.75234225 7.21410353 4.87466916
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H -8.50816356 7.99100049 4.88233920
C -9.21601591 6.51378483 3.48080749
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C -8.86785177 5.44469220 2.66632263
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C -7.55656333 4.99521053 2.59613480
H -7.29632163 4.16212446 1.95860359
C -6.59617835 5.63346641 3.35537524
C -5.12778635 5.34026136 3.45438981
H -4.95852488 4.32164907 3.81594699
H -4.64447125 5.43870855 2.47793598
C -4.62557617 6.36896968 4.43071986
C -3.38775035 6.60418437 4.91036137
H -3.33840565 7.43341588 5.61055846
C -2.12668961 5.96018223 4.66444843
C -1.93093475 4.86553212 3.81349479
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C -0.68861963 4.30522454 3.63305222
H -0.59525778 3.48213330 2.94072366
C 0.44906999 4.80000640 4.29235128
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C -0.98956411 6.45374189 5.32213056
H -1.09989699 7.29100381 5.99669283
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H 2.40370181 2.88540870 2.69992375
H 0.94944627 2.36427704 3.57979480
C 2.76371922 2.13225268 4.69855871
H 2.21288452 2.06405434 5.63893911
H 2.94705206 1.11944801 4.33653378
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H 4.67071403 2.86173614 4.01589941
C 3.79887119 4.29850282 5.35838345
H 4.72933968 4.85681183 5.47042434
H 3.27626075 4.30487389 6.31683404
C 2.92045901 4.96428072 4.29886452
H 2.71706832 6.00175849 4.55813489
H 3.46056404 4.96052121 3.33962376
|
ICIMAI
| 7.13046
|
Br 11.47373294 8.42664312 9.77310569
Br 9.23253376 10.77365259 8.59297014
S 9.13299106 6.39932566 9.50299627
S 7.19622993 8.42772330 8.48355155
S 6.94399927 4.07175341 8.99516874
S 5.02764835 6.08497608 7.97537295
S 5.36486126 1.75924537 7.81472912
S 3.20836049 3.94512150 6.79285987
C 7.53102784 6.72964532 8.83665492
C 9.69563233 8.04988101 9.30903614
C 8.82651042 8.96049799 8.85132485
C 6.62678518 5.75866857 8.62733256
C 5.56358642 3.47846270 8.06247531
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C 7.00378705 1.36134147 7.09284911
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H 7.77053103 1.72796812 7.77566929
C 7.17831679 1.92560417 5.68362572
H 8.08684002 1.51141040 5.23557039
H 6.32328360 1.65492027 5.05504103
C 7.29009178 3.35993553 5.67011973
C 3.12663095 5.25229805 5.50979021
H 3.02542594 6.21602991 6.00836439
H 2.21068331 5.02363477 4.96522856
C 4.33930119 5.24507159 4.58258524
H 4.17227705 5.93783863 3.75278817
H 5.24110060 5.55904432 5.11901691
C 4.59137221 3.92945521 4.05432468
N 7.37495998 4.50094775 5.65642088
N 4.80284764 2.87443067 3.66907536
|
NIJQED
| 9.82847
|
O 2.91671664 6.10479885 1.94525334
C -0.75493929 2.99964086 2.54943573
H -1.81893089 2.85066840 2.66611103
C 0.10677911 1.91634525 2.54576067
H -0.28509143 0.91574929 2.65170485
C 1.47302748 2.11487016 2.42248115
H 2.14306344 1.26806454 2.43936416
C 1.98597694 3.39196330 2.28250315
H 3.05121881 3.54926938 2.21132666
C 1.12125851 4.47764817 2.25769678
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C -0.56329739 6.54951130 3.48399943
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C -1.45254581 7.71077114 3.11829944
C -2.01493600 8.71776085 3.86621660
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C -2.77557410 9.67860238 3.20529836
H -3.23572794 10.47409874 3.77242585
C -2.94913583 9.62878787 1.83418817
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C -2.36933786 8.61592744 1.07499679
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C -1.62954915 7.65981070 1.72905312
C -0.85193428 6.46357036 1.24020208
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C -1.07000288 5.51585711 2.44604627
H -2.12933188 5.29009407 2.58990464
C -0.25050628 4.28186725 2.40921138
C 0.80398028 6.94544595 2.91749825
C 0.60371186 6.86683710 1.42908952
H 1.02971418 7.59790957 0.75904669
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|
FESRIG
| 6.65292
|
O -1.16012597 4.70285645 4.60751302
C 0.03346540 5.38013007 4.38337283
C 0.95350246 4.82381473 3.47009533
C 2.01748425 5.60726755 3.06018743
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C 9.11640379 12.37732526 0.22498452
C 0.83453818 3.37179317 3.01038098
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H 1.96356010 1.86338349 1.97448529
C 0.76143032 2.48199090 4.26025830
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H -0.47396953 3.89813535 1.35847628
H -1.31234570 3.16497136 2.73888403
C -0.41383116 7.10841107 6.29158284
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|
ACUNIV
| 9.30004
|
S 2.51737509 0.61095319 11.79753680
S 5.64230888 0.48068031 7.13935834
S 8.23243014 1.33356682 10.78655728
S 4.41527639 2.17083442 14.72394069
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|
WOYJAV
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|
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|
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| 9.19527
|
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|
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| 7.57375
|
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|
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| 8.54328
|
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| 7.43823
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|
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| 7.73048
|
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|
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| 8.48668
|
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C -0.37825143 -0.03204537 7.51266924
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|
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| 9.27717
|
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O 2.36187679 5.61617112 4.48226478
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C 2.47282612 14.85857488 -1.84425007
H 2.66566037 15.83540781 -2.26116641
C 3.03573646 13.73289466 -2.42277350
H 3.66974774 13.82802484 -3.29164379
C 2.78963891 12.48215955 -1.88987201
H 3.23059118 11.60384375 -2.34045150
|
GOTROZ
| 8.64641
|
O 1.24383359 6.61212941 14.91612368
O 1.32141503 3.40072541 15.32127982
O 0.94474581 4.19732138 18.96389143
O 3.19731611 2.98566373 18.23932355
C 1.53428101 4.62938283 17.84089079
C 3.40305941 4.19583752 16.18810542
H 4.45602013 3.89998271 16.22411544
C 1.79612105 6.02450548 15.81692102
C 1.09118284 5.61409009 17.03127564
H 0.13882930 6.09743846 17.19461755
C 3.28096033 5.68767391 15.86458259
H 3.70307346 6.26645629 16.69540212
C 4.07550738 5.99087334 14.58861149
H 5.13359689 5.78413003 14.81140903
C 2.76511227 3.84716183 17.51549677
C 2.72257871 3.36137203 15.08068077
H 3.05940655 2.31268037 15.17396289
C 3.08894073 3.87927699 13.71498675
H 2.83205767 3.23219870 12.88835707
C 3.66161262 5.05125939 13.49817913
H 3.89043799 5.36505732 12.48932728
C -0.24617145 4.81987717 19.38727614
H -0.52612393 4.32302261 20.31450015
H -0.09236914 5.88693304 19.57297064
H -1.04211861 4.69288518 18.64779377
C 0.54005939 2.66151492 14.41554776
H -0.45762622 2.61927442 14.85001573
H 0.48316171 3.14592399 13.43607463
H 0.92823120 1.64317820 14.29538923
C 3.97390897 7.45173131 14.15232133
H 4.28229805 8.10926276 14.96262398
H 4.62206975 7.63124897 13.29739889
H 2.95239139 7.69363018 13.87684752
|
NILDOE
| 6.94951
|
C 14.19926581 6.33200654 7.06052351
C 14.78650127 5.48367017 8.01542654
C 15.70004192 5.98071921 8.93099584
H 16.14556234 5.30877640 9.65217102
C 16.05450075 7.32189105 8.95212313
C 15.46868658 8.16244311 8.02006674
H 15.72260960 9.21398494 8.02104757
C 14.56334452 7.68828731 7.08309219
C 13.96768730 8.66550369 6.11148299
H 14.49166779 8.61023640 5.15775374
H 14.05735968 9.68328922 6.48578921
H 12.91827734 8.45367892 5.92838968
C 14.45989379 4.01895379 8.05100008
H 13.39474176 3.86943526 8.21549245
H 15.00889672 3.52330352 8.84847129
H 14.71990746 3.54129447 7.10839275
C 17.02467367 7.83991303 9.96973358
H 16.55631863 7.86802482 10.95412839
H 17.35242992 8.84582114 9.71844826
H 17.89667517 7.19142051 10.03535686
C 11.90106576 4.97420964 6.41842234
C 10.94964875 5.50154588 7.30716513
C 9.84165731 4.75494276 7.67152363
H 9.12723683 5.17143842 8.36826349
C 9.62579568 3.47879408 7.17179143
C 10.55650558 2.96149068 6.28566784
H 10.41028790 1.96907912 5.88063815
C 11.67974827 3.68427774 5.91128176
C 12.63846342 3.05181671 4.94200509
H 12.34807438 3.29842597 3.92084514
H 12.62434799 1.96791823 5.04164932
H 13.65437580 3.40603622 5.09077420
C 11.09241677 6.89669817 7.83742395
H 12.08598831 7.05724520 8.24947151
H 10.35416971 7.09406133 8.61158707
H 10.94126070 7.61805454 7.03367742
C 8.42486844 2.69116762 7.60025607
H 8.51311046 2.41311445 8.65083594
H 8.32293221 1.78193331 7.01244224
H 7.51796155 3.28599942 7.49295499
C 13.44632463 6.05026618 4.47821243
C 14.75965174 6.06263851 3.99767327
H 15.56919050 5.93059552 4.70286738
C 15.04539312 6.22608718 2.65569582
H 16.07061647 6.22220926 2.31414687
C 14.01196958 6.40569139 1.75015392
H 14.22591349 6.54162575 0.69958609
C 12.70320297 6.41989515 2.19797872
H 11.89080427 6.57700364 1.50310943
C 12.41158452 6.23944099 3.54454433
C 11.01052125 6.24861197 3.99202892
H 10.55467281 5.27585610 4.11244577
C 10.29228522 7.34487540 4.26349197
C 10.68896166 8.74488967 4.10289695
C 11.81150083 9.38462537 3.63588528
H 12.67131382 8.83991380 3.27998640
C 11.83198157 10.79084986 3.62328313
H 12.72324235 11.28217037 3.25850741
C 10.77639043 11.55544193 4.05477440
H 10.83723122 12.63416124 4.03278656
C 9.59993519 10.93425035 4.52679906
C 9.59871566 9.53488409 4.52591101
B 13.17020526 5.79884613 5.99866627
C 4.99235036 6.33245575 1.98813422
C 4.40635441 5.48345989 1.03301419
C 3.49232178 5.97934589 0.11730800
H 3.04777154 5.30683410 -0.60393584
C 3.13599347 7.31999992 0.09625907
C 3.72052298 8.16123359 1.02847690
H 3.46501893 9.21239159 1.02768769
C 4.62632781 7.68822676 1.96558622
C 5.21983277 8.66610987 2.93767069
H 4.69536841 8.60974224 3.89105529
H 5.12873956 9.68384613 2.56357682
H 6.26944453 8.45590188 3.12125575
C 4.73471058 4.01914350 0.99739733
H 5.80008107 3.87090128 0.83316702
H 4.18649815 3.52291727 0.19974018
H 4.47499948 3.54108833 1.93987926
C 2.16508658 7.83674805 -0.92129947
H 2.63340339 7.86564725 -1.90568750
H 1.83588386 8.84215386 -0.66989388
H 1.29401494 7.18701245 -0.98699897
C 7.29147083 4.97643731 2.63133363
C 8.24245934 5.50409163 1.74230150
C 9.35140611 4.75844335 1.37886482
H 10.06548989 5.17512854 0.68188447
C 9.56855260 3.48293585 1.87968698
C 8.63831744 2.96542690 2.76618044
H 8.78561332 1.97356627 3.17217515
C 7.51426490 3.68733890 3.13981760
C 6.55648885 3.05512337 4.11016020
H 6.84692288 3.30341211 5.13089850
H 6.57169642 1.97110723 4.01193211
H 5.54017700 3.40810892 3.96124341
C 8.09800341 6.89845774 1.21043588
H 7.10429107 7.05726333 0.79804471
H 8.83611295 7.09587355 0.43615501
H 8.24812259 7.62092499 2.01336278
C 10.77030513 2.69614558 1.45194704
H 10.68239452 2.41711155 0.40159889
H 10.87313475 1.78752172 2.04053847
H 11.67662124 3.29193729 1.55878041
C 5.74575446 6.05226525 4.57091535
C 4.43264498 6.06319771 5.05206032
H 3.62292768 5.93026354 4.34723876
C 4.14731958 6.22659805 6.39413198
H 3.12224476 6.22184779 6.73611293
C 5.18096521 6.40705998 7.29924064
H 4.96735317 6.54270737 8.34991408
C 6.48954340 6.42205478 6.85091011
H 7.30212965 6.57929807 7.54551601
C 6.78075557 6.24205764 5.50420157
C 8.18180106 6.25018839 5.05655206
H 8.63680255 5.27698185 4.93636929
C 8.90141698 7.34569949 4.78565141
C 8.50717346 8.74621854 4.94809630
C 7.38597267 9.38732658 5.41642314
H 6.52544447 8.84366402 5.77215949
C 7.36785715 10.79356591 5.43062468
H 6.47757221 11.28596334 5.79632514
C 8.42459427 11.55688027 4.99968637
H 8.36562358 12.63567463 5.02304569
B 6.02146694 5.80003825 3.05049580
|
NEKQOK
| 10.16264
|
C 2.60806738 1.75169352 6.71941020
C 1.73061009 2.19666297 7.91563990
C 2.60749687 2.22189046 9.17077091
H 2.06726497 2.65258676 10.01610719
H 3.46792481 2.86386413 8.96676103
C 3.10198071 0.81951104 9.52685543
H 4.00056947 0.92559699 10.14873919
C 3.49289742 0.04211648 8.29980868
H 3.95408676 -0.91723322 8.49025681
C 3.29098106 0.44936662 7.05925770
H 3.60618254 -0.14862387 6.21577174
C 1.72894292 1.60893873 5.46544059
H 2.35967293 1.45486524 4.58565383
H 1.09926830 0.72351944 5.59281160
C 0.86069360 2.81119798 5.27427621
H 0.42850165 2.92817204 4.29037929
C 0.59935319 3.68489664 6.23085993
H -0.03447524 4.53908238 6.03710710
C 1.14198559 3.58623413 7.62382025
H 0.34153355 3.79856501 8.33851528
H 1.91582720 4.34682409 7.76849698
C 0.05325637 1.06332760 9.22334868
H -0.93320366 0.66054684 8.96801080
H -0.10965080 2.03368160 9.71724968
C 0.72591263 0.11006598 10.18728717
C 2.10819925 0.00278615 10.32876024
C 2.62165414 -0.91804740 11.23846840
H 3.69405263 -1.00605543 11.34468212
C 1.79622809 -1.71136125 12.00987251
H 2.22146309 -2.41598749 12.70901387
C 0.42306761 -1.59150987 11.88149631
H -0.23801706 -2.20011355 12.48019367
C -0.09748242 -0.69112502 10.97349442
H -1.16943644 -0.60195337 10.86506353
O 0.70432133 1.21753850 7.98865950
C 3.63738615 2.73423021 6.46079005
N 4.47398332 3.48654891 6.25336923
|
TISXIE
| 8.59253
|
S 8.19656281 6.30190697 0.99637814
O 5.76376589 7.79784872 3.89360647
O 8.65863860 7.60796193 1.47581721
O 5.29819844 3.73110241 2.43829666
O 4.26128697 3.03948921 0.57128267
N 7.83868926 6.98141212 4.48998338
N 6.59242151 6.06155854 1.57332554
H 6.00854109 6.87631583 1.41271547
C 6.64214054 6.96455664 3.84545652
C 8.51977992 5.77643365 4.29093467
C 7.81984828 4.97483328 3.38169612
C 8.28612007 3.73620996 2.99837158
H 7.72355354 3.13934715 2.29897573
C 9.47548703 3.28227324 3.55090333
H 9.86299585 2.31536728 3.27015741
C 10.16042267 4.06217091 4.46719030
H 11.07931606 3.69442859 4.89858949
C 9.69705039 5.31268812 4.85117640
H 10.25821539 5.89544010 5.56011654
C 6.57331384 5.69526539 2.97734432
C 5.27152284 4.88562564 3.27229784
C 4.07433394 5.65200247 2.79594815
H 3.77258866 6.56558359 3.27155951
C 3.56253795 5.05695146 1.71930702
C 4.36850209 3.83409897 1.46468729
C 5.19617344 4.47697028 4.73991747
H 4.29389575 3.89321142 4.90602868
H 5.17136072 5.36174758 5.37110162
H 6.06046753 3.87193100 5.00216047
C 2.41174471 5.42555609 0.85910160
H 2.01451927 6.39780326 1.13783464
H 1.62775921 4.67496689 0.95139709
H 2.72411178 5.43911742 -0.18389376
C 7.70272263 6.57673669 -0.77943392
C 9.03539188 6.83605025 -1.46963850
H 8.89622546 7.00014304 -2.53700501
H 9.70523791 5.98860640 -1.33361968
H 9.50590099 7.71765826 -1.03904592
C 6.78980881 7.78333174 -0.88564418
H 6.78109911 8.16638087 -1.90519407
H 7.15747993 8.57124397 -0.22839032
H 5.76593835 7.53618592 -0.61185169
C 7.06698581 5.28279504 -1.24931429
H 6.16156897 5.06758508 -0.68724060
H 7.75606948 4.45280583 -1.10660458
H 6.81468630 5.34256928 -2.30677173
C 8.20555347 8.00426791 5.48237734
C 9.69301018 8.31750734 5.46614343
C 10.28432562 8.89833510 6.58268553
H 9.69900407 9.07115320 7.47361638
C 11.61652247 9.27050021 6.55908361
H 12.06281030 9.71110958 7.43856846
C 12.36998970 9.08906310 5.41260753
H 13.41030790 9.37848810 5.39488077
C 11.77389255 8.55554993 4.28289334
H 12.34459133 8.43560849 3.37417682
C 10.44253036 8.18082651 4.30180940
H 9.99247144 7.79107693 3.40202220
C 7.63299660 9.37049962 5.11363830
C 7.19221381 10.24140442 6.10046805
H 7.17744598 9.92922383 7.13455931
C 6.76414639 11.51601899 5.77143210
H 6.41576586 12.17838969 6.55073922
C 6.78363805 11.93963537 4.45567825
H 6.44421339 12.93248165 4.19879593
C 7.25244278 11.08529108 3.47187728
H 7.28653435 11.41200777 2.44287691
C 7.68871980 9.81540151 3.79711458
H 8.06749113 9.16995124 3.01946786
C 7.65856532 7.44050863 6.78838421
C 8.45027595 6.74328182 7.69143595
H 9.51487428 6.66246200 7.53658023
C 7.88826469 6.15067381 8.80988730
H 8.52181525 5.61945446 9.50495088
C 6.52626188 6.23138231 9.03494913
H 6.09039407 5.76909957 9.90809870
C 5.72508504 6.90411345 8.12779828
H 4.65854714 6.96565736 8.28782984
C 6.28462395 7.49862980 7.01186774
H 5.65359323 8.01467676 6.30399407
|
NANYIN
| 13.3412
|
O -0.95999864 5.63303834 0.87262162
C -1.34970693 1.63408833 1.43896858
H -2.23361211 2.25572653 1.57056652
H -1.40658581 0.78887226 2.11928725
H -1.33561547 1.26849706 0.41541617
O -0.08176858 3.57341312 0.81084860
C -0.08198753 2.45224117 1.70708075
O -0.87865876 4.36220850 2.72022702
C 1.16244056 1.59392116 1.48409757
H 1.28503890 1.47097680 0.40790437
H 0.97759514 0.61180525 1.92110930
O 4.22849116 1.84979380 6.36481550
C 2.19102166 2.45251927 3.57992638
H 1.78853533 1.53418681 4.02583910
C 3.30634603 2.79882089 5.86956836
H 3.53629745 3.77359777 6.30344924
H 2.29923861 2.49305885 6.17141294
O 5.56742791 0.28496810 5.48312884
C 2.42566399 2.19058482 2.09158424
H 2.66663508 3.12299927 1.58044063
H 3.25592703 1.49689656 1.96232817
O 4.37191843 1.64016102 4.16709285
C 1.15772826 3.56658891 3.70608667
H 0.98217170 3.84740764 4.74494506
H 1.51615570 4.45313501 3.17832160
C 3.50124721 2.76472613 4.33169482
C -0.18469989 3.17012182 3.07302300
H -0.80611708 2.61258179 3.77679385
C 4.22845625 4.01238594 3.83604938
H 4.48094162 3.90789474 2.78539648
H 5.15456064 4.13545197 4.39452115
H 3.61305649 4.89513730 3.97840305
C 4.79791891 1.17610064 5.34978836
C -0.66646326 4.61849241 1.41086260
|
QOPTIA
| 7.86219
|
C 0.08474970 -1.08208446 1.94641355
C 0.28650589 -0.89862316 4.18102703
C 1.13208865 0.19733693 4.03655610
H 1.56176273 0.72293711 4.87047071
C 1.39164514 0.57800949 2.72129373
C 2.25991521 1.70834462 2.44930247
C 3.53281417 3.36037463 2.58853112
C 4.34886638 4.41538012 3.15105562
C 4.46398298 4.53900432 4.53393614
H 3.93941716 3.84206554 5.16874364
C 5.24336170 5.54609474 5.07078668
H 5.33367107 5.64317556 6.14247203
C 5.90837006 6.43060645 4.23647389
H 6.51651847 7.21627310 4.65982698
C 5.79458436 6.30892838 2.85970464
H 6.31372627 6.99969738 2.21224563
C 5.01825314 5.30584965 2.31276938
H 4.91796825 5.19559784 1.24455355
Cl -0.58423085 -1.90624237 0.62875835
Cl -0.12824433 -1.48734123 5.72433410
N 0.86876550 -0.06095588 1.67705934
N -0.23336427 -1.53462552 3.14804954
N 3.36560929 3.15531056 1.30047952
N 2.84297114 2.45624912 3.34262830
O 2.54599218 2.09213705 1.20182797
|
TOKXIB
| 10.1863
|
P 4.72501288 3.81764670 4.89469043
O 4.62025536 4.68180499 6.08023990
N 5.44005985 4.64469029 3.64545139
H 5.30552998 5.64261631 3.71183421
N 3.28562270 3.13901082 4.30784945
H 3.00013177 2.32798508 4.84215270
N 5.69977759 2.45369474 4.99355260
H 5.23526993 1.57822637 5.18479674
C 5.50526294 4.09872001 2.30684455
H 5.68002102 3.02758633 2.42204009
H 6.36920425 4.54805538 1.79933653
C 4.26298189 4.32187890 1.48218610
C 3.65285773 3.26574076 0.82067853
H 4.07261901 2.27348495 0.90378083
C 2.51722684 3.47192874 0.05792321
H 2.05500825 2.64133391 -0.45456791
C 1.96700104 4.73717846 -0.04190699
H 1.07460101 4.89713927 -0.62812455
C 2.56637386 5.79718441 0.61565653
H 2.14444805 6.78902866 0.54014527
C 3.71098371 5.59163553 1.36402958
H 4.18074499 6.43139972 1.85953181
C 2.21259846 4.11537047 4.21398464
H 2.66224310 5.05356002 3.86912200
H 1.76881636 4.32411239 5.19893772
C 1.12663211 3.71398636 3.25214140
C 0.16616755 4.65398098 2.89585886
H 0.22412785 5.65130666 3.30858117
C -0.85288463 4.32511697 2.02277625
H -1.59008847 5.06744708 1.75276522
C -0.92853411 3.04737890 1.49389591
H -1.72557251 2.78827397 0.81226158
C 0.02355467 2.10734124 1.84244562
H -0.02758347 1.10873303 1.43253290
C 1.04683807 2.43872310 2.71466345
H 1.79558367 1.70338629 2.96476581
C 6.92179978 2.64357419 5.76407406
H 6.76147011 2.47997752 6.83678550
H 7.20534764 3.69138837 5.62236670
C 8.00341180 1.73594485 5.24679124
C 8.46902183 1.89471279 3.94674264
H 8.05886078 2.68804436 3.33971780
C 9.44293604 1.05405598 3.44145458
H 9.79911605 1.18717230 2.43002460
C 9.96657533 0.04439711 4.23259580
H 10.72996145 -0.61169377 3.84047577
C 9.50992282 -0.11961823 5.52832216
H 9.91607131 -0.90471082 6.14968074
C 8.53031062 0.72006006 6.03134282
H 8.17650118 0.58820751 7.04447208
|
LIPTOV
| 7.78627
|
O 6.20090530 3.70236421 0.43933455
N 10.89638634 -0.92282181 1.61486778
N 9.13232110 -1.85406683 0.30572476
N 9.28169144 0.43854459 0.96521800
N 10.10743916 1.18384485 1.68130898
N 6.34140405 2.38012166 0.47443961
N 7.38281380 4.31595603 0.30580255
C 11.06944627 0.33447105 2.05662146
C 9.77427821 -0.88747743 0.93247194
C 7.99955295 -1.54514178 -0.27425011
H 7.49296056 -2.36039254 -0.77093542
C 7.44817705 -0.25705366 -0.27631994
H 6.51228165 -0.04389042 -0.76306983
C 8.12603645 0.76521031 0.35811061
C 12.19880509 0.73711531 2.86813103
C 13.19879578 -0.18991628 3.15859943
H 13.10310448 -1.19120965 2.76932242
C 14.28128589 0.18488861 3.93020276
H 15.05626052 -0.53258084 4.15549408
C 14.37439784 1.47994645 4.41652620
H 15.22189995 1.77019356 5.01991858
C 13.38008303 2.40327187 4.13205064
H 13.45351569 3.41048768 4.51494878
C 12.29376705 2.03777716 3.36119006
H 11.50899981 2.74444394 3.13943502
C 7.62425372 2.12829040 0.38130351
C 8.30371165 3.39412259 0.26485452
C 9.73690050 3.68421685 0.07258489
H 9.89590594 4.75748984 0.10886909
H 10.06325223 3.30457043 -0.89564738
H 10.31896650 3.18282385 0.84469145
|
ADEXAJ
| 7.47605
|
Cl 2.84862010 4.89030047 15.32730443
O 5.98823896 8.10730639 10.56831618
O 5.54982575 10.64807898 10.46841277
O 11.01757424 8.21337577 4.39398474
N 9.39626074 7.12604868 6.87013297
N 11.71237862 6.01241911 4.34455600
N 11.39989606 4.84472844 5.03582867
C 5.66832266 6.65373052 13.14334408
H 6.50881225 7.31079309 13.30697284
C 4.89676377 6.24694578 14.21566792
H 5.13005337 6.57350197 15.21703770
C 3.81463276 5.41082335 13.99246203
C 3.49727520 4.98742309 12.71277399
H 2.64894285 4.34063433 12.55196711
C 4.27462601 5.40813785 11.64801418
H 4.02496586 5.08409797 10.64850458
C 5.36842046 6.23647031 11.85250516
C 6.20936750 6.71663618 10.69981515
H 7.27350327 6.52411172 10.90391429
H 5.92765017 6.19398283 9.77559960
C 6.68214927 8.78033014 9.60746915
C 7.56902815 8.21109113 8.72064946
H 7.77992493 7.15480500 8.72729163
C 8.23524904 8.99013967 7.76417761
C 7.98741403 10.35661164 7.71972592
H 8.49162361 10.96935100 6.98766038
C 7.09733900 10.94006865 8.60556279
H 6.92319210 12.00309768 8.54799039
C 6.43762529 10.17418456 9.55395988
C 5.25908466 12.02301406 10.46995985
H 6.15091735 12.62540309 10.67176589
H 4.53798195 12.16743034 11.27364050
H 4.81293180 12.34342034 9.52273665
C 9.16381345 8.38425055 6.83748509
H 9.64376360 9.05675311 6.12519669
C 10.26641482 6.52833490 6.00174240
C 10.58733964 5.19558016 6.07652441
C 10.14781187 4.21151100 7.09487327
H 9.68990512 3.34313474 6.62348654
H 9.42246252 4.69787375 7.74024006
H 10.98880498 3.87063481 7.69915800
C 12.40260976 3.81261341 5.15061554
H 13.09753561 4.01269392 5.97297758
H 12.96759908 3.75378710 4.22248539
H 11.90762098 2.85856805 5.32629192
C 10.99209631 7.09306900 4.86787034
C 12.26124429 5.97503699 3.05684615
C 11.99465110 4.91357738 2.19480634
H 11.33968406 4.11432045 2.51025411
C 12.54778408 4.90228022 0.92815250
H 12.34114621 4.07545082 0.26438272
C 13.34816834 5.94965987 0.50481161
H 13.77322074 5.93788341 -0.48756057
C 13.59091091 7.01613476 1.35438204
H 14.20429288 7.84087664 1.02361973
C 13.06033139 7.03155923 2.63052906
H 13.23819651 7.86102161 3.29472459
|
COJHEP
| 7.95634
|
O 4.54753908 10.36953190 3.58894064
N 4.36491498 11.73346614 3.66182207
C 3.63396067 9.64409378 4.45697530
H 3.83139605 9.98288745 5.48477509
C 2.20735002 9.99779339 4.12505303
C 1.46296581 10.71549628 5.05217917
H 1.88715533 10.93388424 6.02332482
C 0.18752883 11.15530274 4.74619985
H -0.38161905 11.70961287 5.47764117
C -0.34466231 10.89195418 3.49656472
H -1.33523257 11.24110488 3.24453421
C 0.39548012 10.18134243 2.56864901
H -0.01932340 9.98013215 1.59161582
C 1.67345536 9.73118856 2.86632808
C 2.45952313 8.92132489 1.88508922
H 3.44938839 9.35455451 1.74140880
H 1.94618029 8.92115049 0.92236022
C 2.59049399 7.48274145 2.38597110
H 1.61585318 7.14952693 2.76194815
H 2.84386087 6.83918303 1.53980333
C 3.61925723 7.25014830 3.46087282
C 4.13942774 5.95780195 3.53922246
H 3.78530633 5.21682078 2.83600419
C 5.08848344 5.59989973 4.47346418
H 5.46944028 4.58971006 4.50029633
C 5.55203434 6.55062155 5.36614828
H 6.30338286 6.29727258 6.09875659
C 5.04042409 7.83020051 5.31146483
H 5.40237430 8.57388719 6.00642889
C 4.07007917 8.19773277 4.37893229
C 3.73227667 12.46542958 2.65787123
O 3.31355104 12.02560666 1.62208099
C 3.72189254 13.85652163 3.17161032
C 4.31432018 13.86867238 4.43815375
C 4.71758956 12.48385974 4.77932956
O 5.21930991 12.05165627 5.78383927
C 3.24142298 15.01439985 2.59779549
H 2.78553605 14.99655365 1.62032690
C 3.36661427 16.19603798 3.32316042
H 2.99870876 17.11919403 2.90111620
C 3.95554942 16.20820127 4.57756381
H 4.03936461 17.14057146 5.11548544
C 4.44050116 15.03886900 5.15654431
H 4.90004428 15.04085878 6.13264763
|
VOZKIH
| 8.64886
|
Br 0.56912134 4.96092508 4.04799485
Cl 0.45158945 0.67654080 9.23482107
P 0.53311161 3.59199543 5.70511725
C -0.19658161 3.27606799 8.18398564
C -0.75449124 3.62804832 9.40591720
H -0.74813508 2.90266498 10.20574989
C -1.30897763 4.88188855 9.60044171
H -1.73689889 5.13180949 10.56025247
C -1.32449813 5.82469666 8.58190053
H -1.75976272 6.79861295 8.74657134
C -0.77948403 5.51465019 7.34963583
H -0.78052792 6.23435698 6.54130721
C -0.23075323 4.25273221 7.18116519
C -0.31655217 1.27220035 6.52534782
C -0.96691346 0.04799766 6.44304081
H -0.95643721 -0.60245306 7.30485996
C -1.61735668 -0.33591721 5.28253095
H -2.11564753 -1.29347631 5.24319711
C -1.64008705 0.48962940 4.16687121
H -2.15062876 0.17876793 3.26812595
C -1.00474563 1.71698600 4.20690903
H -1.01075513 2.37717973 3.34923719
C -0.36139090 2.07753273 5.38079497
C 1.99644029 2.16837261 7.31907227
C 3.16493476 1.64991787 7.86159555
H 3.08977342 0.96537244 8.69329174
C 4.40357709 1.99949511 7.35079914
H 5.29788644 1.58254134 7.79024405
C 4.51606930 2.87774957 6.28186589
H 5.48778660 3.14193289 5.89304812
C 3.37767320 3.41707122 5.71201712
H 3.44156330 4.10350345 4.87774274
C 2.15023276 3.05062441 6.24233618
B 0.48426545 1.85168224 7.81141202
|
VAXLEN
| 8.04259
|
O 0.69591919 5.97553204 12.13233711
O 2.28998838 3.88856456 11.03547119
N 0.74354766 5.97479925 5.62506985
N 2.39720453 4.56777287 6.16631272
C -0.09730853 7.01226117 12.65402948
H 0.31201772 7.99785897 12.40946514
H -0.07814550 6.87425109 13.73430651
H -1.13121471 6.94676919 12.30065194
C 0.86346686 5.89085332 10.77424715
C 0.26792372 6.77435895 9.87967294
H -0.34442742 7.58080842 10.24798814
C 0.43077322 6.63271583 8.51688648
H -0.03637165 7.31331851 7.82488874
C 1.20169248 5.59182119 8.01998130
C 1.40738519 5.41096017 6.60185372
C 1.31428149 5.50228111 4.47577973
C 1.00899936 5.76571130 3.14452749
H 0.20279065 6.43558709 2.89272638
C 1.76935728 5.14518178 2.17649837
H 1.55770084 5.33040285 1.13367740
C 2.81357080 4.27790844 2.50626009
H 3.38251242 3.81578593 1.71289905
C 3.13519591 3.99866717 3.81926082
H 3.94439570 3.32763106 4.06811231
C 2.37553528 4.61669504 4.79955778
C 3.34038549 3.93057708 7.04989468
H 3.71404855 3.02614206 6.55405540
C 2.60928823 3.54526491 8.33939498
H 1.91656840 2.72343111 8.13153861
H 3.32381758 3.19330805 9.08304003
C 1.82150435 4.69900473 8.89944855
C 1.66400578 4.84186971 10.27773500
C 2.66633686 4.16687887 12.36678171
H 3.13717849 5.14901584 12.45413103
H 3.39078117 3.39406430 12.62586870
H 1.81676627 4.11285168 13.04965943
C 4.51321985 4.87440563 7.32864161
H 4.98408663 5.17617855 6.39545342
H 5.25376893 4.37889357 7.95092204
H 4.15905257 5.76451664 7.84407301
|
TIDDEQ
| 7.9517
|
C 9.18017759 6.67134137 8.51031880
H 8.42475489 7.40078586 8.80490593
H 10.08471353 7.21049992 8.24056374
H 9.38619655 6.03966404 9.37199472
C 8.68089914 5.85303840 7.35982058
C 9.14103776 6.07471433 6.06776892
H 9.88342043 6.83911569 5.88927235
C 8.66821003 5.32178840 5.00977127
H 9.03953853 5.48679274 4.00949546
C 7.70355081 4.34276921 5.21917515
C 7.24803246 4.10555177 6.51237516
H 6.52782536 3.32160561 6.69726506
C 7.73579502 4.85358290 7.56660244
H 7.37950480 4.65894997 8.56806777
C 7.26226009 3.51510905 4.06324158
C 5.41679313 2.53355903 2.80836232
H 6.27717231 1.96881758 2.44084342
C 4.81329350 3.37461227 1.66617829
H 3.93022944 3.88823231 2.05375719
H 4.47894558 2.68848909 0.88554433
C 5.76946955 4.40639800 1.05914563
H 6.17229324 5.03005916 1.86537249
C 6.93705532 3.74209111 0.33397992
H 7.54816070 4.49569605 -0.15818520
H 7.57191109 3.20587928 1.03413465
H 6.57422818 3.04759876 -0.42113098
C 4.99053764 5.30620326 0.10124216
H 4.57925903 4.71852833 -0.71698338
H 4.16816349 5.79666056 0.61725938
H 5.63944500 6.07177701 -0.31820684
C 4.34434963 1.61387146 3.34217372
C 4.29121136 0.23117368 2.75733239
H 4.58447780 0.30383917 1.70336829
C 5.31944606 -0.65114441 3.47726191
H 6.31466479 -0.21717561 3.41874376
H 5.34696297 -1.64056923 3.02724847
H 5.05151244 -0.75445401 4.52654530
C 2.90466863 -0.40323498 2.83052548
H 2.16116632 0.25405381 2.38656631
H 2.62418305 -0.60569535 3.86085971
H 2.90079370 -1.34633898 2.28880632
C 3.51448310 2.10152555 4.26949966
H 2.67453484 1.55293129 4.66232420
C 3.75777885 3.41932192 4.81619768
C 4.94991469 4.01486088 4.65207003
H 5.19933992 4.95799244 5.11249627
C 1.71869424 4.53211474 4.85656115
C 0.66672430 5.09935514 5.72478521
C 0.77109242 5.10013554 7.11292862
H 1.64573374 4.67721690 7.58194350
C -0.24183723 5.64233900 7.87969762
H -0.15290987 5.64116528 8.95659456
C -1.37355500 6.19093646 7.28639821
C -1.47035156 6.18569852 5.89723579
H -2.34529055 6.60889689 5.42554208
C -0.46446088 5.64794132 5.12254104
H -0.53125553 5.64200232 4.04523386
C -2.47953823 6.76128467 8.11788887
H -2.14896004 6.93956510 9.13791344
H -3.31641443 6.06293921 8.14937299
H -2.84071568 7.69443423 7.69088558
N 5.91443773 3.38376647 3.88252505
O 8.06337551 2.97659192 3.31858534
O 2.75543861 4.03338810 5.56465504
O 1.67533010 4.50845949 3.65094023
|
REQLEF
| 9.77296
|
S 0.41329031 3.15343460 8.66786199
N -1.25671041 3.01493599 10.64913422
O -0.46262034 4.24569327 15.23181737
C -0.73273500 4.91372771 12.09907294
C -2.27816611 3.69391824 8.50111306
O -0.38636307 6.07475268 12.07855442
O -3.10916527 1.80329049 11.12877222
N -1.66454079 4.41236365 12.93701760
C -2.20430718 2.52827322 11.47239060
C -1.30415188 2.80585804 9.22200007
H -1.51676202 1.75339082 9.01137371
C -2.76085786 4.86726674 9.06529390
H -2.47243762 5.15794245 10.06525888
C -1.50349030 5.07490005 15.32206038
C -2.20451387 5.24788124 13.97730809
H -3.27281119 5.05824556 14.11310914
H -2.07197569 6.29232132 13.67277955
C -2.67387610 3.34288257 7.21497402
H -2.29137402 2.43375283 6.77472865
C -1.99582227 3.00437146 12.91209396
H -2.91623300 2.83597730 13.47114712
H -1.19471946 2.40538281 13.36774292
C -3.63229122 5.67350886 8.35329914
H -4.00309702 6.58234353 8.80331503
C -3.54138784 4.15086144 6.50599023
H -3.84387266 3.86827018 5.50891269
O -1.85733591 5.61684376 16.33171741
C 0.53310425 4.44062726 9.94408780
H 1.57977847 4.65440465 10.13842308
H 0.03305641 5.34425949 9.59336305
C -0.17794907 3.84760868 11.14991296
H 0.51848536 3.22113783 11.73120288
C -4.02310947 5.31945539 7.07448268
H -4.70233360 5.95091255 6.52159296
C 0.29111936 4.05091511 16.42337403
H -0.37765089 3.85824435 17.26413888
H 0.88430485 4.94132561 16.63815032
H 0.94012211 3.19841828 16.24223203
|
HAXPUS
| 7.4181
|
C -0.18469402 9.08598885 5.25286575
C 0.13116869 8.23608697 4.01907043
H -0.21695152 7.20505945 4.08138650
C 1.67994449 8.31944879 3.83531181
H 1.96951105 8.47257109 2.79277016
N 2.23951989 10.58164743 3.81760903
C 2.07187165 11.74720019 4.31234800
H 2.29691744 12.57574849 3.65756276
C 1.61641894 13.26279292 6.24093185
H 1.90815014 14.11469539 5.64381736
C 1.22162567 13.42475910 7.55470645
H 1.19698256 14.41188676 7.99235974
C 0.86116474 12.32291684 8.31359138
H 0.56422931 12.45056749 9.34394549
C 0.87714239 11.05523417 7.75511863
H 0.59904794 10.19696709 8.34946564
C 1.22941375 9.53870490 5.77619689
H 1.59039178 8.76587142 6.46409839
N 2.06294390 9.49241215 4.58512560
C 1.63925542 11.99338141 5.67255304
C 1.25567603 10.88507111 6.43586182
C -1.01388542 8.39713870 6.32645450
H -1.26536869 9.11388548 7.10478534
H -0.45572452 7.57224531 6.76517963
H -1.94064484 8.01049926 5.90553737
C -0.50423178 8.96264431 2.84970898
N -1.02495862 10.14532589 3.31966962
C -0.92868260 10.28863871 4.69835961
O -0.52524776 8.58223862 1.70780371
O -1.36314169 11.21852151 5.32161851
C -1.58128867 11.14377259 2.47466871
C -0.87028739 11.56278874 1.35947064
H 0.09363043 11.12882031 1.14333577
C -1.40793224 12.53485205 0.53843663
H -0.85590546 12.85934694 -0.33157965
C -2.64343425 13.10685308 0.81925400
C -3.33427223 12.68036513 1.94676076
H -4.29384631 13.11720377 2.18175117
C -2.81495813 11.70144857 2.77314142
H -3.35592202 11.37733543 3.64821750
C -3.22568084 14.14503496 -0.08921430
H -2.44335209 14.75769278 -0.53123759
H -3.91903622 14.78808798 0.44722281
H -3.77167750 13.66303656 -0.90105430
C 2.32386014 7.04619008 4.37291338
O 2.82995586 6.99921278 5.46998802
C 2.26846298 5.86235857 3.48152249
C 2.96074512 4.72209480 3.89949920
H 3.49037740 4.76065986 4.83976598
C 2.97490935 3.57561552 3.13392995
H 3.51529236 2.69990919 3.45899452
C 2.28061131 3.56518633 1.93358616
C 1.58044413 4.68033592 1.49982699
H 1.04215084 4.65218453 0.56492753
C 1.57597617 5.82855973 2.26900460
H 1.01730685 6.67845561 1.90941982
Br 2.28672607 1.99394838 0.86583381
|
DEFZIY
| 7.05592
|
O -2.27047227 2.86861932 6.86335613
O 3.36762203 4.58837469 2.45733314
O 5.03504353 5.77034855 3.92782186
O 4.54217104 6.17692557 6.73456853
C -0.92565215 2.97222374 10.16555624
H 0.11047640 2.80532710 9.90919190
C -1.32242501 2.90908957 11.48895868
H -0.59077990 2.71650118 12.26029303
C -2.65346426 3.09028470 11.82791066
H -2.95719945 3.04846087 12.86362753
C -3.59528276 3.31459583 10.83665691
H -4.63479369 3.44637237 11.09845005
C -3.20456254 3.36210093 9.51226564
H -3.92612299 3.52417662 8.72540394
C -1.86446953 3.20744578 9.16462952
C -1.49728758 3.26078351 7.72168770
C -0.18684925 3.83448805 7.40594102
H 0.36824281 4.27634033 8.21813823
C 0.26975455 3.82885119 6.14076619
H -0.37441974 3.36350546 5.40326646
C 1.51489153 4.35596683 5.64133565
C 1.80870387 4.20717870 4.28252207
H 1.09504353 3.70323310 3.65183745
C 2.99180432 4.69069334 3.76140856
C 3.92930067 5.34924455 4.59042059
C 3.62768721 5.51184175 5.95361513
C 2.43688467 5.01097470 6.45688754
H 2.20710504 5.13601015 7.50033536
C 2.48998717 3.95713447 1.55790585
H 2.98673048 3.99773732 0.58994266
H 1.53094704 4.48150916 1.49381081
H 2.31533987 2.91090877 1.83019141
C 6.16108306 6.27623930 4.60679966
H 6.91559929 6.41554670 3.83243559
H 6.53350981 5.57407414 5.35527311
H 5.94946875 7.23508077 5.08497431
C 4.26917557 6.34498444 8.10297936
H 5.12468074 6.88890560 8.50131605
H 4.18175237 5.38392085 8.62012360
H 3.36077575 6.93390000 8.26576187
|
NUSTAY
| 8.64287
|
O -3.35078364 5.42005147 1.30993142
O 0.41932440 9.47013956 1.92572590
S -2.50162200 4.46045670 1.96640218
N -0.29065050 7.32936667 2.00772345
N 0.02589086 3.79334757 1.54724428
C 2.46639249 6.55163881 1.64600153
H 3.31437111 6.18986554 1.05577257
C 1.35230735 5.55613729 1.62463723
C -0.79113220 4.87423406 1.75417905
C 1.87871006 7.80608744 0.99172088
H 2.59332158 8.62604059 0.95406906
H 1.58935637 7.56382468 -0.03582601
C -1.57211598 7.73322321 2.54995136
H -2.35414066 7.10586417 2.11083867
H -1.73446585 8.76688921 2.22893794
C 0.62854814 8.29755826 1.69749193
C 0.01566891 5.99407370 1.81498659
O -2.58338514 3.08086370 1.54757479
C 1.31362752 4.19566619 1.44950697
H 2.11062260 3.50319191 1.26645896
C 2.95444281 6.81323307 3.08908075
H 2.10596971 7.17531632 3.67982942
C -2.80390699 4.53041095 3.72991084
C -1.63998238 7.67832936 4.05604130
C -2.00935212 3.77538850 4.57146008
H -1.21970603 3.16808480 4.15650745
C -0.77714774 6.89830177 4.81209482
H -0.02354234 6.29506069 4.32787787
C 4.04968596 7.87728593 3.12328525
H 4.47058180 7.94211906 4.12397140
H 3.65566209 8.85569753 2.86510124
H 4.85066576 7.62459923 2.43128665
C -3.27407238 4.58721104 6.45663052
C -2.24668497 3.80656145 5.93179911
H -1.63165872 3.22103596 6.59925668
C -3.82967815 5.30758894 4.22583425
H -4.43302613 5.87713186 3.53700589
C 3.47125812 5.51910880 3.71469161
H 4.32696892 5.14595432 3.15582208
H 2.70017274 4.75266492 3.71710673
H 3.78322840 5.69572234 4.74126128
C -4.06270059 5.33284946 5.58962510
H -4.86377713 5.94001986 5.98312587
C -0.86655446 6.88599428 6.19342301
H -0.17945044 6.28011387 6.76608208
C -2.60232743 8.43754562 4.71201406
H -3.27654298 9.05031918 4.13211308
C -1.82416765 7.64747368 6.83726795
H -1.88828958 7.64443771 7.91522736
C -2.69680956 8.42083362 6.09046229
H -3.44628187 9.02075348 6.58530561
C -3.51520494 4.60820219 7.93339057
H -3.77928242 3.61256178 8.28714764
H -4.31913595 5.29310649 8.18709317
H -2.61252699 4.91817559 8.45662306
H -0.36697174 2.87708562 1.39371515
|
TUPJAP
| 10.02385
|
C 7.77618974 5.73078906 7.07689691
C 6.58067314 5.83772209 8.01870985
C 5.76769900 4.55037267 7.99084002
C 6.67188760 3.39293393 8.37355604
C 7.84995889 3.20549661 7.39266137
C 8.77682797 2.06653061 7.85737682
C 10.06892550 1.99705537 7.05191662
C 10.85203052 3.30370365 7.16972505
C 10.02233009 4.51527530 6.66952264
C 8.66429515 4.52983400 7.43380904
C 10.79858535 5.82732798 6.95562705
C 11.01110084 6.21079865 8.42803524
C 11.85421852 7.43340514 8.52493173
C 11.50107151 8.68303498 8.83051605
C 12.69852405 9.54221810 8.78296655
C 13.33272308 7.42374072 8.26223649
C 12.20260426 3.11914605 6.47643335
C 6.75686111 3.07461565 9.80495355
C 7.25495958 2.84661158 6.00616074
C 9.85282042 4.47530830 5.14636707
C 5.92952094 0.89185656 5.81161512
C 4.59162742 0.33758988 6.21946119
C 8.21297574 -0.04102289 8.76758258
C 7.34988608 -1.24746826 8.53126193
O 13.75603978 8.75579788 8.44528947
O 12.79841348 10.71763242 8.98898828
O 6.03633476 2.26871205 8.91117412
O 6.00504955 2.18439384 6.14487710
O 6.79770109 0.28208232 5.24670575
O 8.07404459 0.83197324 7.76866256
O 8.92841962 0.13769190 9.71995578
H 7.41033044 5.65462134 6.05374930
H 8.35339481 6.65126850 7.14989004
H 6.93245783 6.02105589 9.03706086
H 5.95393167 6.68080018 7.72330007
H 4.93602367 4.60012285 8.69540974
H 5.35002846 4.37765359 6.99959613
H 9.06300247 2.22467393 8.90498561
H 9.86408456 1.75058431 6.01124449
H 10.66729012 1.18009444 7.46209919
H 11.04368326 3.46083984 8.23685595
H 8.92527194 4.63814963 8.49373956
H 11.77525954 5.74124773 6.48062086
H 10.28939592 6.65409987 6.45888181
H 11.50609690 5.39582562 8.95854020
H 10.05553622 6.41649913 8.90887126
H 10.53298585 9.06917120 9.08251403
H 13.57967961 7.11138390 7.24142035
H 13.87347747 6.77463538 8.96047477
H 12.72023383 2.27469244 6.92650520
H 12.84476614 3.98850764 6.58406492
H 12.07561671 2.90495034 5.41938355
H 6.14888544 3.64697411 10.49907221
H 7.62946377 2.61840532 10.25286459
H 7.91912726 2.17441061 5.45937554
H 7.06832967 3.74214668 5.41259514
H 9.47213419 3.52376066 4.79768660
H 10.81121481 4.65063189 4.66371909
H 9.17746744 5.25802706 4.81371234
H 4.54673243 -0.72523386 6.00565960
H 3.80421596 0.85870378 5.68018700
H 4.45536129 0.52613145 7.28175040
H 7.59263500 -2.02658609 9.24662447
H 7.48876645 -1.59635559 7.51140178
H 6.31061954 -0.94775311 8.64692731
|
LONJAA
| 7.89974
|
C 4.12021912 -0.42101159 3.65436923
C 2.34915623 -0.11737492 1.98659828
C 2.15260393 -1.83784069 3.68685668
C 1.62138745 -1.19337609 2.57536255
C 3.36981018 -1.48858153 4.24335468
C 3.60131214 0.26852078 2.51798187
N 5.36099018 -0.05505347 4.19472909
N 1.81692466 0.58297426 0.86629920
O 4.25070605 1.24539402 1.93892565
O 0.46082903 -1.61581007 2.13110663
O 3.77260400 -2.17050729 5.29608234
O 5.79134290 -0.66450083 5.16997990
O 5.99943111 0.86503446 3.68801236
O 0.76197661 0.15288223 0.38767348
O 2.37687841 1.55119318 0.42405951
H 1.59371492 -2.64474516 4.13042173
H 5.11506174 1.41734359 2.39871076
H 4.65531844 -1.84094156 5.60042098
H 0.20583289 -1.08319932 1.32655507
|
ULELED
| 9.74058
|
C 6.05073949 2.56261543 1.58960669
C 7.09827580 1.95670502 0.91972461
C 8.39371720 2.42318531 1.09592201
H 9.20793759 1.94407935 0.57553389
C 8.61765174 3.49462473 1.94336479
H 9.62569555 3.85518057 2.08264207
C 7.56569641 4.09995559 2.61430601
H 7.75116238 4.93045603 3.27724190
C 6.27612146 3.63030815 2.43610357
H 5.42784065 4.05577398 2.94706413
C 5.07785615 -0.01205143 3.00541643
C 5.08265121 -1.50520104 3.29426364
H 4.14383753 -1.93975520 2.93598555
C 5.22711446 -1.74672798 4.79283124
H 4.36960342 -1.34505539 5.32656526
H 6.11972609 -1.24756955 5.16051714
H 5.30288777 -2.81157418 4.99852226
C 6.25350584 -2.11935690 2.51952365
H 7.19020245 -1.67938491 2.85425233
H 6.15407322 -1.94400171 1.45061668
H 6.29201225 -3.19221993 2.69384520
Cl 6.78517111 0.63022511 -0.11684994
N 4.45129618 0.34806967 1.85063807
H 4.02863706 -0.32911119 1.23680886
O 4.03359512 1.92627037 -0.01895032
O 3.50512433 2.69028779 2.24709038
O 5.62803601 0.81822977 3.68872890
S 4.37663151 1.98544253 1.36768499
|
SULAMD12
| 9.43663
|
S 13.41085320 1.34526731 8.17498736
O 13.02043613 2.69257866 8.45916421
O 14.68017099 0.85832332 8.62078051
N 12.25644894 0.36087894 8.88584943
N 12.70853658 0.19446603 2.41212209
C 13.23297959 1.03069157 6.43065871
C 13.95665160 0.00646648 5.84899305
C 13.80055971 -0.26105991 4.50506733
C 12.91323246 0.49730567 3.73164337
C 12.19281288 1.53186176 4.34131539
C 12.35415814 1.79439748 5.68572012
H 14.64750542 -0.55486945 6.45812786
H 11.82567453 2.59861238 6.17308177
H 11.51262363 2.12403393 3.74682978
H 14.36504532 -1.05403833 4.03677191
H 11.30998081 0.61512384 8.66077876
H 13.39327188 -0.37996882 1.95065136
H 12.25684085 0.88489911 1.83676222
H 12.43971733 -0.62136998 8.77299476
|
NUBYER
| 8.03743
|
S -0.03617481 7.58142712 3.28550172
O 1.64329676 6.95241050 5.98774898
N 2.51166417 7.46112349 5.31498743
C 1.18307358 9.51104386 4.81744872
C 2.41076783 8.87775016 5.03584253
O 3.49196665 6.89066231 4.89476553
C -0.09810778 8.75817479 4.69509479
H -0.94138380 9.43147885 4.54275567
H -0.28273681 8.12323462 5.56026322
C 1.20030559 10.88792346 4.61910909
H 0.26282196 11.40141740 4.46386174
C 3.60240991 9.59166995 5.02379991
H 4.52651685 9.05685862 5.18372501
C 2.38278036 11.60724220 4.63004926
H 2.35970403 12.67600526 4.48042905
C 3.59182203 10.95812947 4.82049875
H 4.51738375 11.51145973 4.81557681
O -1.71648400 6.95288311 0.57941390
N -2.58348089 7.46076927 1.25454394
C -1.25503695 9.51061502 1.75271054
C -2.48267201 8.87734208 1.53391793
O -3.56526418 6.89093921 1.67212805
C 0.02609439 8.75774450 1.87556772
H 0.86935259 9.43107014 2.02790944
H 0.21090107 8.12254491 1.01062793
C -1.27232881 10.88749486 1.95104520
H -0.33488983 11.40097690 2.10659726
C -3.67431890 9.59126599 1.54566787
H -4.59837866 9.05646742 1.38542625
C -2.45479857 11.60682196 1.93980052
H -2.43175752 12.67558133 2.08945188
C -3.66379372 10.95771824 1.74902921
H -4.58935427 11.51105329 1.75370418
|
HISHOH
| 8.146
|
O 4.25853614 4.54198648 5.83503103
H 3.82976821 3.83439619 5.32494947
O 7.24609741 2.62452373 6.01232537
N 4.45360557 2.51731255 4.02977903
N 5.46964885 1.67260322 1.58777534
C 3.92972313 1.43307359 3.41444015
C 2.86351551 0.73097646 4.00482919
H 2.46981083 1.07837303 4.94792502
C 2.34965225 -0.36955958 3.37405951
H 1.53313532 -0.91526614 3.82212504
C 2.87160946 -0.80307242 2.14412957
H 2.44412452 -1.67538971 1.67298818
C 3.90441518 -0.13476877 1.54549036
H 4.31833472 -0.44829481 0.60051611
C 4.45467160 0.99980269 2.17077236
C 5.96446172 2.71591112 2.19731881
C 5.44801468 3.14854798 3.45848273
C 7.08871505 3.43305116 1.52847228
H 7.99399293 3.34981777 2.12864670
H 7.26624413 2.98600714 0.55473220
H 6.85556347 4.48972446 1.40908551
C 6.02561332 4.33830440 4.16519622
H 5.67070581 5.25490138 3.68369233
H 7.11354273 4.31040298 4.08673791
C 5.64103852 4.36599024 5.65790252
C 6.34584604 5.52759677 6.36942107
H 6.06489864 6.46495862 5.89713751
H 7.42415146 5.40254621 6.32300031
H 6.03292897 5.55639575 7.40939262
C 6.15798723 3.06310429 6.29667320
C 5.23614375 2.41227409 7.28471558
H 4.53230299 1.79532934 6.72650704
H 4.67122761 3.16258708 7.83040297
H 5.79857225 1.77215269 7.95854676
|
LUCSEJ
| 6.9789
|
S -1.27873148 6.91901208 13.11777909
N -2.64023953 9.16748074 12.83932588
N -0.97077748 10.46896140 14.55980311
C -2.10348778 11.02454441 14.23317107
N -0.66740891 9.29447398 14.04544735
C -1.57240838 8.51675850 13.34008558
C -3.97395881 11.08041371 12.48107236
C -2.90774513 10.38741551 13.19962071
C -6.08628880 10.97883123 11.33428824
H -6.93896078 10.40985414 10.99497993
C -3.89210690 12.44424929 12.19872982
H -3.02622707 13.01083958 12.50753867
C -5.07098246 10.34859909 12.02634403
H -5.10862013 9.29072038 12.23516330
C -2.49303770 12.24471889 14.93703152
C -3.82813313 12.48619925 15.25841130
H -4.58646377 11.76565294 14.98893956
C -6.00861556 12.33739186 11.07085080
H -6.80230688 12.82948238 10.52861672
C -4.17876446 13.63501491 15.94120848
H -5.21455144 13.81336718 16.18888522
C -3.20863894 14.55310100 16.30968492
H -3.48868054 15.45272572 16.83701938
C -1.51890126 13.16117327 15.33065957
H -0.48651460 12.95975094 15.08921889
C -1.87825396 14.31054616 16.00735035
H -1.11892266 15.01999377 16.30127789
C -4.90624519 13.06327047 11.49372170
H -4.83493697 14.11765136 11.27150128
H 0.21531068 8.88540587 14.33427326
|
GIPMAT
| 5.52364
|
N 8.26884104 3.85646567 8.73784464
C 7.83881784 4.89717212 8.95705282
C 7.32317414 6.17700195 9.25069719
C 7.05990736 6.36536162 10.62039169
N 6.85894985 6.40574032 11.75053159
C 7.06287892 7.09831133 8.25642352
C 6.51792376 8.40651684 8.56529035
C 6.13532689 9.23575642 7.55394392
C 6.30025036 8.86589566 6.19048968
C 6.90058464 7.59979502 5.88847117
C 7.26877788 6.76277289 6.87987442
C 5.89835771 9.72005001 5.17167029
C 6.06196397 9.40625908 3.81117166
N 6.19646694 9.16136648 2.69762419
C 5.29801609 10.96244480 5.44188971
N 4.80552459 11.97146676 5.68312626
O 6.46169618 8.68671311 9.87857228
C 5.67155885 9.75594262 10.35679991
C 4.17164835 9.47189923 10.21044819
O 3.78579103 8.38347556 11.03599969
C 3.89778696 7.14584840 10.52740346
O 4.24371117 6.92270808 9.39491421
C 3.54660597 6.11503423 11.55516120
H 5.70260637 10.20330735 7.75937510
H 7.04016204 7.32991601 4.85217726
H 7.70643274 5.80098915 6.65584628
H 5.92607616 9.82222420 11.41733614
H 5.92722687 10.69844559 9.86075233
H 3.92452362 9.23785203 9.16861188
H 3.59723756 10.33460267 10.55080466
H 3.22855771 5.19801099 11.06870854
H 2.77722303 6.49390823 12.22029764
H 4.44369343 5.91184558 12.14039812
|
DAGJOK
| 7.66408
|
N 7.49832418 0.16968907 -1.05297284
N 7.48669707 -0.38757985 0.17886531
C 7.57004417 0.53503891 1.06833213
C 7.56790348 1.92861102 0.47241159
C 7.75000060 1.61830674 -1.02910768
C 7.48871771 -0.56935243 -2.21468664
O 7.52811448 -0.04401204 -3.30670785
N 7.40130210 -1.90517402 -1.99997081
C 7.69008468 0.31012141 2.48861993
C 8.44548083 1.37386462 3.24489880
C 8.26465784 2.78041284 2.66871770
C 8.58414588 2.81652357 1.17584198
C 9.12250346 1.93352522 -1.56475461
C 9.32301633 3.05398153 -2.35786102
C 10.58531223 3.35785981 -2.83443723
C 11.66013037 2.54283982 -2.52361149
C 11.46714548 1.42191806 -1.73463498
C 10.20571962 1.11955217 -1.25545067
C 7.15263013 -0.79425419 3.03836417
C 7.18250893 -1.21120709 4.43155010
C 8.29912521 -1.04945561 5.25288886
C 8.27176468 -1.46841312 6.57040958
C 7.13283395 -2.05353588 7.09676588
C 6.02353173 -2.24035750 6.28713546
C 6.05232250 -1.83452473 4.96809662
H 6.57036648 2.35692455 0.63630037
H 6.99728855 2.11676298 -1.64570920
H 7.43561542 -2.25932586 -1.06093599
H 7.37933182 -2.52225458 -2.78972924
H 8.13698598 1.36608491 4.29178801
H 9.51167299 1.12521976 3.20684613
H 8.91968132 3.46810425 3.20678085
H 7.23452486 3.10927678 2.82643094
H 9.59664893 2.44716138 1.00166711
H 8.52821702 3.83817600 0.79454456
H 8.48320946 3.68547133 -2.60932816
H 10.73159163 4.22948298 -3.45566374
H 12.64510043 2.77778319 -2.89983216
H 12.30242681 0.78027378 -1.49328990
H 10.06270195 0.23968374 -0.64314870
H 6.57996563 -1.43480080 2.37937796
H 9.20706117 -0.63241412 4.84661533
H 9.14787755 -1.34003743 7.18998534
H 7.11300736 -2.37352024 8.12816220
H 5.13602501 -2.70953745 6.68684534
H 5.18578200 -1.98319352 4.33929066
|
MOPQUF
| 7.137
|
N 11.66628654 -0.08038412 2.91985033
N 9.40123692 1.22311202 2.16172163
N 6.05610685 2.71622053 2.47613467
H 5.80697498 3.23917003 1.65473737
N 6.11308508 -2.66591170 -1.77426423
O 10.37620554 -1.37415784 4.24573949
O 10.45066840 1.82977777 0.25538616
O 6.49376248 -3.79623339 -1.55484661
O 5.32995337 -2.35941603 -2.64877756
C 12.96238696 0.79292657 1.17342087
H 12.56321587 0.31029084 0.28032366
H 13.50483582 1.68302157 0.86589360
C 13.81360786 -0.18320703 1.98569673
H 14.44053746 -0.80774783 1.35362854
H 14.45432602 0.36262695 2.67907461
C 12.77925509 -0.99935399 2.75816686
H 12.45072943 -1.88319996 2.20192748
H 13.13062453 -1.32825988 3.73856861
C 10.56161754 -0.34964266 3.62236441
C 9.54012527 0.80205146 3.55264402
H 9.95633071 1.64655106 4.12701376
C 8.22764453 0.36486786 4.21642730
H 7.97652218 -0.64792051 3.88724872
H 8.38253326 0.32055181 5.29410845
C 7.14859865 1.31766352 3.84903449
C 6.05014270 1.86830920 4.56975603
C 5.56375143 1.71839645 5.86818329
H 6.05773962 1.05644782 6.56302856
C 4.44349344 2.42851129 6.23468784
H 4.04931490 2.32888858 7.23493824
C 3.79600073 3.28233200 5.33673498
H 2.91922886 3.82070421 5.66400770
C 4.25303483 3.44927419 4.04717860
H 3.75167032 4.10805748 3.35390066
C 5.38435345 2.73882665 3.66937364
C 7.11448879 1.85433090 2.59629510
C 8.11924469 1.54518785 1.54176483
H 8.28924264 2.42074896 0.89861041
C 10.49750851 1.43038568 1.40108752
C 11.80676389 1.11700546 2.11985727
H 12.05106005 1.97867645 2.76291871
C 7.61801993 0.41393303 0.66483961
C 8.00048341 -0.90487644 0.88717147
H 8.69387063 -1.14473843 1.67740835
C 7.50959404 -1.91949663 0.08944574
H 7.79851179 -2.94759408 0.24536933
C 6.62487680 -1.61201172 -0.93634055
C 6.23185676 -0.29940746 -1.17093307
H 5.54933380 -0.09105093 -1.98050409
C 6.73201495 0.70470324 -0.36921564
H 6.44202774 1.72775921 -0.55528789
|
VEBRIG
| 8.96452
|
O 4.15119264 5.83656489 3.80226798
O 0.12841677 5.52887805 2.65021596
O -1.51121267 5.01727989 4.88756402
O -0.31656237 6.03802981 6.47698104
O 0.42791308 2.92066271 1.63576899
N 2.75667302 4.18331740 1.85678771
N 3.27626588 3.81020375 0.93378356
C 2.27524884 4.63817591 2.93539044
C 2.99036222 5.50532352 3.85328183
C 1.98044193 5.92211983 4.91385823
H 1.57807396 6.89281385 4.61526479
H 2.44636601 6.02553985 5.89187954
C 0.89983134 4.83791163 4.85878645
C 1.35628132 3.63092632 5.69850525
H 2.41718933 3.45848696 5.50214942
H 1.24705005 3.88156816 6.75552246
C 0.57895250 2.36599178 5.36189725
H -0.48505114 2.51393769 5.55886017
H 0.92928497 1.54461187 5.98877295
C 0.78005853 2.02212004 3.89253941
H 0.27981037 1.08287159 3.65306404
H 1.84336126 1.90647672 3.67122274
C 0.20371934 3.13615008 3.01439592
H -0.87990024 3.21327669 3.20801383
C 0.82065322 4.51087505 3.33886046
C -0.42165997 1.97983545 1.02960047
H -0.20549770 2.02663006 -0.03576614
H -1.47537552 2.22858099 1.20177477
H -0.23282317 0.96338712 1.39061177
C -0.44745339 5.30431782 5.38322259
C -1.52324302 6.51015591 7.08719989
H -2.18695258 5.65643205 7.26147467
H -2.02293823 7.19242869 6.39122502
C -1.15973890 7.20981411 8.38151709
H -2.05849856 7.60189307 8.84824881
H -0.47522846 8.02968731 8.18183475
H -0.67908006 6.51416537 9.06412058
H -0.81863059 5.42465801 2.81310132
|
WANSIQ
| 10.25107
|
O 3.90394615 2.74464772 16.92135634
O -0.89729812 2.33577361 17.15931658
C 3.16013498 6.00686600 7.91107846
H 3.43636284 7.05260951 8.06473869
C 4.28002404 5.27124186 7.15086246
H 3.95026401 4.23361119 7.04090712
C 2.71062875 4.38989988 4.58993441
H 2.49430586 3.79940459 5.47865848
H 1.79452412 4.43471400 3.99821452
C 3.15264881 5.81071696 4.95128454
H 3.31218681 6.34335465 4.00482221
C 4.49085024 5.84216651 5.72659600
C 5.34924895 4.63327735 9.38243180
H 6.29904778 4.66137578 9.91562365
H 5.06277056 3.58416276 9.27170781
N 2.15435042 4.07372887 16.42816280
H 1.77013708 4.78392951 15.82369015
C 4.25287756 5.37220040 10.15131085
C 4.50915281 4.80107996 12.73181104
H 4.52995585 5.85544913 13.02533134
C 2.99117124 5.32660670 9.26589788
H 2.78765514 4.26660585 9.06689931
C 1.21853696 3.39340812 17.28189035
H 1.65907374 2.42865280 17.55634476
O -0.37443877 3.74844053 15.51235933
C 5.56130519 5.24544908 7.99370921
H 6.32239877 4.65263856 7.48442033
H 5.95301557 6.25562745 8.10703628
C 3.43950587 3.66602318 16.28639702
C 5.51928472 5.03138619 4.91235825
H 5.68592389 5.56154525 3.97012877
H 6.47509653 5.00527963 5.43633068
C 2.23403513 4.43248497 19.29742601
C 5.94634053 4.29942623 12.60009160
H 6.55577218 4.98127473 12.01538647
H 5.96422146 3.32173274 12.12437152
H 6.40669030 4.20823037 13.58049398
C 3.71238722 4.66659538 11.42219875
H 3.64394776 3.59659421 11.19572469
C 3.77191141 3.64382436 3.78941743
H 3.94575721 4.16941819 2.83405519
C 5.07853153 3.61124968 4.58099223
H 5.85776074 3.11615812 3.99299329
H 4.92836400 3.02623607 5.48970568
O 3.27442131 2.34499541 3.52875051
H 3.95693602 1.83584260 3.07959215
C -0.08348153 3.18689033 16.53534157
C 4.21280470 4.45950966 15.25292738
H 5.27442253 4.28350058 15.42154251
H 4.00714711 5.52458229 15.37604467
C 3.80240042 4.00834751 13.84588131
H 2.72243447 4.12088213 13.75320636
H 4.03348626 2.94739395 13.73145464
C 0.93831191 4.20186376 18.57485500
H 0.47685705 5.15353148 18.30155489
H 0.24328489 3.63219095 19.19218722
C 1.88709667 5.82570830 10.19186354
H 0.90181569 5.48644762 9.87558090
H 1.87280192 6.91562650 10.21734362
C 2.72848125 3.47675038 20.17468592
H 2.15122633 2.58461448 20.37130423
C 5.02353341 7.28211617 5.77173416
H 6.05539043 7.29582932 6.11411067
H 4.43821587 7.91609561 6.42908861
H 4.99926680 7.71985714 4.77543392
C 2.04311023 6.53597894 5.71599595
H 2.28495296 7.59805259 5.78467857
H 1.10781200 6.45056201 5.15797327
C 4.70031219 4.79329057 20.53175968
H 5.66057081 4.93012930 21.00692135
C 1.85351062 5.97330262 7.11938082
H 1.48846949 4.94649413 7.06242310
H 1.09603462 6.56105530 7.64161828
C 2.27639572 5.23664507 11.55917358
H 1.57588812 4.45366969 11.84688459
H 2.24609303 6.00558067 12.33194950
C 2.98867097 5.56980792 19.04438048
H 2.61322238 6.31994870 18.36225939
C 4.69672089 6.79753969 10.48826452
H 4.83661212 7.39551014 9.59346859
H 5.64343538 6.77814100 11.02240761
H 3.96415588 7.29743763 11.11381522
C 3.95294975 3.65712625 20.79083082
H 4.32919118 2.90623625 21.47002308
C 4.21507536 5.75044247 19.65824104
H 4.79479440 6.63820706 19.45042787
H -1.73129944 2.23786723 16.67217062
|
COKQUR
| 7.25973
|
F 0.48864944 6.15299547 3.31610618
F 1.23084193 6.66799117 1.24479456
N 2.66532057 7.13605975 3.10692734
N 0.61888113 8.46556747 2.70331320
N 3.30902306 10.57951403 4.01296391
H 4.27667578 10.42813879 4.28760175
N 5.24794647 12.07995783 4.79591089
C 3.53549262 6.12809238 3.20280911
H 3.25277282 5.13735965 2.90472227
C 4.74074238 6.59277958 3.71289176
H 5.61748175 6.00365176 3.89895263
C 4.58559156 7.95200375 3.93102247
H 5.33087263 8.61974095 4.32165049
C 3.27546927 8.28105316 3.54632667
C 2.60633817 9.53460160 3.57497310
C 1.25547954 9.60112556 3.15072501
C 0.32567125 10.65560745 3.08275113
H 0.47620142 11.68011640 3.35556309
C -0.85768749 10.12955506 2.59399150
H -1.77457215 10.65763786 2.41868153
C -0.63299557 8.77828088 2.37062321
H -1.29775788 8.02492596 1.99484194
C 2.92807055 11.95355235 4.14476137
H 2.60670286 12.36346971 3.17792077
H 2.09680108 12.06459914 4.85315668
C 4.11201626 12.74677205 4.64459673
C 4.00360779 14.10385782 4.92764505
H 3.06308414 14.61609071 4.79206256
C 5.12429140 14.77444322 5.38572109
H 5.07374685 15.82861809 5.61602473
C 6.31022559 14.07306512 5.54544709
H 7.20425017 14.55996942 5.90118483
C 6.31642147 12.72405560 5.23451510
H 7.20982565 12.12221643 5.33477391
B 1.22541749 7.05183383 2.57184635
|
AFANUT
| 8.40395
|
C 7.87611898 3.05775424 8.81939160
C 6.77430923 2.44904092 9.67569471
H 6.50869012 3.20234218 10.42385694
H 7.18067062 1.58502207 10.20338921
C 5.53147712 2.06292599 8.87480190
H 4.79462983 1.60829235 9.53886334
H 5.80795483 1.32231335 8.12082100
C 4.92427519 3.28484152 8.18022710
H 4.11846081 2.99518829 7.50139693
H 4.50119050 3.96850829 8.92431857
C 6.01222477 3.97253282 7.44537996
C 7.11365579 5.23835661 5.96963848
C 8.05377215 4.66831920 6.77759124
H 9.11632850 4.79117077 6.72281014
C 7.36183212 3.86115955 7.72207299
C 3.72983976 5.59159422 5.25035136
C 2.57229214 6.06800837 4.60157029
C 1.32037904 5.51747044 4.87861025
H 1.23725798 4.71743584 5.59969990
C 0.19948319 6.00076595 4.23176327
H -0.76943202 5.57471344 4.44737296
C 0.31603476 7.02901123 3.30972925
H -0.56317198 7.40381457 2.80702909
C 1.55957526 7.57746858 3.03523274
H 1.64930027 8.38069603 2.31943756
C 2.69033594 7.10459106 3.67294165
H 3.65955619 7.53597390 3.47348478
C 7.24193217 6.19569552 4.83074751
H 6.34588308 6.13412613 4.20506782
H 8.11109666 5.92700268 4.22325651
C 7.39225244 7.64266063 5.28340586
C 8.68575913 8.80098576 2.95582780
C 6.71954103 9.83467861 7.18837918
F 9.66790247 9.07094377 3.81492878
F 8.92464775 7.59958659 2.43285582
F 8.68652028 9.70146240 1.99343368
F 6.63883572 9.73652892 8.50981508
F 8.00523368 10.00461697 6.87727704
F 6.01731895 10.87489300 6.80337420
N 5.86490196 4.79914535 6.38068067
C 4.71347375 5.18965962 5.82023853
O 9.05280771 2.90365964 9.06432159
O 6.06543383 8.23806047 3.02747915
O 6.88473352 10.09242237 4.44890120
O 5.98929487 7.30755261 7.57396510
O 4.90944819 8.44119494 5.68656718
S 7.02871943 8.78416260 3.91448614
S 6.07658443 8.17921711 6.45132786
H 8.36113782 7.87533253 5.71788605
|
GIJLUG
| 9.90385
|
S 1.80837823 16.51567754 0.85989444
O 0.88722874 18.14063334 2.62792877
O 3.10312350 16.25744696 0.30984949
O 1.18878618 15.50978619 1.66492638
N 1.91568251 18.03007195 1.66244233
C 2.20756817 18.02589898 3.05662518
C 2.84414373 19.27494701 3.58943731
C 2.61817897 20.48614167 2.94591828
C 3.18826613 21.64744135 3.43338721
C 3.98422307 21.60856056 4.56577559
C 4.20741016 20.40372750 5.21035235
C 3.64046702 19.23750962 4.72724864
C 2.62238868 16.74432787 3.69690254
C 3.84154245 16.17498604 3.35103374
C 4.22545369 14.98172700 3.93477908
C 3.40301559 14.36264254 4.86153341
C 2.19186838 14.93606723 5.20739748
C 1.79807565 16.12842359 4.62698574
C 0.68121287 17.02412827 -0.45025591
H 3.81435593 18.30048280 5.23430823
H 4.82530643 20.36924575 6.09506291
H 4.42814491 22.51602231 4.94715086
H 3.01118347 22.58521403 2.92829088
H 1.99618203 20.50388526 2.06466787
H 4.46852730 16.65798290 2.61689470
H 5.16686367 14.53195112 3.65779325
H 3.70389213 13.42772859 5.31082345
H 1.54584952 14.45293358 5.92497889
H 0.84921298 16.58089710 4.87299964
H -0.22492453 17.37527651 0.02534112
H 1.17010568 17.81056452 -1.00835771
H 0.47998678 16.16507032 -1.07681612
|
XETYUT
| 10.3874
|
C 2.62027127 8.87200097 4.47309347
H 3.47015013 8.55937966 5.08830402
C 2.20547899 10.32649804 4.79200695
H 3.13113184 10.91946584 4.77512493
C 1.31276080 10.84866506 3.70182642
H 0.76420162 11.74893615 3.93433335
C 1.22244806 10.27927856 2.51080046
H 0.57351854 10.67652301 1.74603626
C 1.98171088 9.04390273 2.13718804
H 1.29208092 8.18993407 2.05808908
H 2.45151376 9.15821393 1.16006892
N 3.03518697 8.79121883 3.10151923
O 3.79514294 6.92269898 1.55192022
O 4.57295700 6.95082864 3.90215351
S 4.22706825 7.65696719 2.70295194
C 1.50879668 7.85625237 4.79394510
C 1.61920024 10.43962450 6.18106346
C 0.24952756 10.49174068 6.40106365
H -0.43275093 10.45717082 5.56565325
C -0.24885048 10.57323372 7.68998371
H -1.31600055 10.61025708 7.84713273
C 0.61426283 10.60107041 8.77107417
H 0.22347924 10.66163975 9.77580612
C 1.98168926 10.54831536 8.56012289
H 2.66131596 10.56799934 9.39849744
C 2.47950608 10.46966831 7.27303852
H 3.54772878 10.42950889 7.11192375
C 5.66757443 8.70738107 2.23807332
C 5.27023067 9.53950514 1.03649471
H 6.13974624 10.05011845 0.62557973
H 4.53018169 10.28577181 1.31485791
H 4.85297189 8.89074323 0.27023157
C 6.00940095 9.54278734 3.45438194
H 6.94041439 10.08451284 3.29670256
H 6.12487627 8.89215286 4.31769594
H 5.21732864 10.25990277 3.65523073
F 1.46538150 7.56925438 6.10352390
F 0.26941042 8.25344468 4.46109747
F 1.69888979 6.69765791 4.15371702
C 6.75638827 7.70291609 1.90390955
H 7.67697398 8.20907596 1.61830534
H 6.42927519 7.06845670 1.08386624
H 6.94942902 7.07162588 2.76771050
|
BUCYAC
| 9.02466
|
Br -0.41851746 4.55030776 11.74830199
S 4.51808752 1.81251520 10.13878244
Cl -1.74751999 3.28042783 7.52773381
F 2.78052115 5.99721113 10.44998402
F 3.70984647 5.75806846 8.53318136
O 3.85064797 0.95936902 11.07443710
F 1.84652853 6.81177356 8.69561575
O 4.72750024 1.30668872 8.81503855
N 5.16072201 3.87502575 12.45163825
N 3.59962557 3.25144602 10.01662002
H 4.18824050 4.03503752 9.77969734
C 5.98446720 2.68287459 12.31834118
H 5.54370987 1.80824840 12.82760061
C 2.35395682 3.25715691 9.40470434
C 2.75158869 2.83550640 13.80525799
C 6.11187525 2.34122663 10.83814359
H 6.69318018 1.42327705 10.72064990
C 4.81585591 4.30073559 13.79309906
H 4.28844932 5.25081459 13.67809982
H 5.73192707 4.50000411 14.35278967
C 1.76979772 4.45394339 8.96332778
C 6.74521660 3.46262680 10.04010947
H 6.76858018 3.19407603 8.98278856
H 6.16879557 4.38008613 10.16759469
C 3.93719701 3.31790411 14.59456440
H 4.53458479 2.45977668 14.90764502
H 3.59376190 3.82991378 15.49721942
C 7.40628532 2.92632240 12.84820629
H 7.97843277 2.00250449 12.74349169
H 7.37375002 3.17507208 13.90850179
C 1.62713363 2.07536875 9.26300103
H 2.06529245 1.15599747 9.61167556
C 8.08283084 4.04974885 12.06684765
H 7.50513486 4.96465687 12.19934580
H 9.08733452 4.21549500 12.45912917
C 2.50268485 5.74776414 9.15417367
C 8.15527108 3.71207640 10.58002726
H 8.76903647 2.82100833 10.43218721
H 8.61731003 4.53437186 10.03277239
C 1.87389890 3.74715978 13.22749796
H 2.02736889 4.80941405 13.34329674
C 0.37331016 2.08178397 8.68844972
H -0.17609191 1.15988841 8.58116549
C 0.50782167 4.46318743 8.38497743
H 0.06848426 5.39345380 8.06182992
C -0.18468741 3.27399323 8.24520870
C 0.79091513 3.28623160 12.50546609
C 2.51199554 1.47801777 13.63640971
H 3.18425706 0.75729827 14.07659305
C 0.54937741 1.93574393 12.33277019
H -0.30509717 1.60223572 11.76487194
C 1.42326344 1.03256279 12.90869831
H 1.25625509 -0.02555969 12.78476377
H 4.29560552 3.72476018 11.94097534
|
BESSUO
| 6.62107
|
N 4.62673251 2.13838942 -0.61369342
C 5.10173063 1.29170509 -1.50297732
C 6.23535294 1.56077713 -2.28769746
H 6.57348553 0.80961835 -2.98437383
C 6.85807700 2.77480323 -2.14730789
H 7.72269692 3.03211082 -2.74370743
C 6.35738245 3.70425847 -1.21912534
C 6.92457780 4.99705414 -1.03540611
H 7.78010303 5.26730029 -1.63819380
C 6.40232461 5.86911058 -0.13969619
H 6.82827905 6.85449987 -0.01221360
C 5.28440645 5.51240615 0.66578291
C 4.71370250 6.37900777 1.61438682
H 5.12088112 7.37335904 1.73694435
C 3.65441131 5.94861465 2.37336781
H 3.17804630 6.57177804 3.11408491
C 3.18598394 4.63838367 2.18781223
N 3.69117000 3.81844124 1.28996987
C 4.70538742 4.22691406 0.52958682
C 5.23188323 3.31563685 -0.45209812
C 4.35753098 0.00295536 -1.69661403
O 4.74812596 -0.85622277 -2.46215641
N 3.23043412 -0.04649224 -0.94359765
H 3.06383286 0.76803973 -0.35764261
C 2.21624400 -0.99241493 -0.94523047
N 1.16624410 -0.63589536 -0.21061244
C 0.11620573 -1.44676326 -0.15327209
C 0.07400320 -2.66628753 -0.84122926
H -0.79870234 -3.29745462 -0.77499622
C 1.17288276 -3.02440475 -1.59595858
H 1.17547801 -3.95710809 -2.14114771
C 2.27547027 -2.18549463 -1.65918519
H 3.14349794 -2.42890910 -2.24582443
N -0.90476956 -1.05696529 0.67548144
H -0.85439614 -0.09882400 0.98306140
H -1.82476001 -1.41204157 0.47623118
C 2.07321640 4.09644400 3.03982236
O 1.43467232 4.79218003 3.80427219
N 1.92327717 2.76573018 2.84120305
H 2.56644788 2.36145085 2.16307723
C 1.05562675 1.85767786 3.42912444
N 1.28014138 0.60844279 3.03569127
C 0.52164150 -0.36613360 3.52338905
C -0.52060048 -0.11363982 4.42744447
H -1.12336274 -0.92772616 4.79935814
C -0.74153585 1.18930443 4.82439598
H -1.53502284 1.41735268 5.52148266
C 0.05518706 2.21158464 4.32715154
H -0.08165552 3.23874021 4.61710430
N 0.85932503 -1.63704500 3.14519293
H 1.45782622 -1.67396080 2.33458445
H 0.13357911 -2.33338811 3.17855379
|
PORHIN
| 8.4826
|
S -4.99888874 6.90911857 6.27436122
C -4.12705035 8.49288897 6.53068842
C -4.39415847 9.48181076 5.42024344
S -3.59275650 11.09507185 5.71848668
C -1.81356841 10.68576342 5.74018815
C -1.32003700 10.00973366 4.46430842
C -4.27480391 6.27553937 4.72287461
O -1.67541639 10.79162714 3.33267256
C -2.47016721 10.22748385 2.41295480
O -2.89370002 9.09088757 2.50864363
C -2.76711784 11.12531541 1.29046683
C -3.60500692 10.67184576 0.26839370
C -3.90363518 11.48472022 -0.79719371
C -3.37127556 12.77746499 -0.87217189
C -2.53395887 13.23110690 0.14696050
C -2.23742780 12.41033781 1.21612687
O -3.72643051 13.49638658 -1.96116720
C -3.23195822 14.80790672 -2.10644938
H -3.06531000 8.28011731 6.65172301
H -4.51730168 8.86354799 7.47872825
H -5.45693841 9.71748149 5.36173920
H -4.06586200 9.11459616 4.44828019
H -1.59796253 10.05445894 6.60136429
H -1.32858209 11.65317694 5.86632398
H -1.79720429 9.02809014 4.36569439
H -4.53909590 6.94070545 3.90173115
H -4.76458977 5.31231203 4.58403571
H -4.01133338 9.67405622 0.33325731
H -4.54870551 11.15167834 -1.59451751
H -2.10947876 14.22192007 0.11396573
H -1.58933561 12.76330053 2.00226305
H -3.65038055 15.17721130 -3.04116060
H -3.55793659 15.45255188 -1.28450018
H -2.13953920 14.81967587 -2.16957202
C 0.19489231 9.83096619 4.51958284
C -2.75994557 6.09609986 4.77814291
S 0.91915153 9.19691640 2.96836376
H 0.45950760 9.16634231 5.34106149
H 0.68428429 10.79447165 4.65787818
C -2.26662212 5.42085836 3.50177419
O -2.40496065 5.31314779 5.90918681
H -2.28237393 7.07746861 4.87752625
C 0.04675565 7.61348200 2.71187042
S -0.48755339 5.01101064 3.52313460
H -2.48204244 6.05287470 2.64107260
H -2.75189879 4.45368477 3.37491688
C -1.60973121 5.87601677 6.82927161
C 0.31439984 6.62395180 3.82163507
H -1.01502180 7.82656637 2.59167039
H 0.43626727 7.24320258 1.76337818
O -1.18544203 7.01240663 6.73446919
C -1.31364767 4.97724163 7.95122918
H 1.37716574 6.38801306 3.87931069
H -0.01315642 6.99076926 4.79399529
C -0.47555338 5.42940523 8.97371311
C -1.84434923 3.69258471 8.02466970
C -0.17770395 4.61561297 10.03881752
H -0.06844145 6.42691964 8.90954742
C -1.54860216 2.87089701 9.09334700
H -2.49260416 3.34063077 7.23821580
C -0.71107612 3.32323305 10.11288813
H 0.46751413 4.94764028 10.83644496
H -1.97385505 1.88039227 9.12564497
O -0.35663152 2.60333566 11.20146845
C -0.85214317 1.29210676 11.34583796
H -0.43413780 0.92187568 12.28036923
H -0.52655069 0.64773764 10.52351971
H -1.94457950 1.28114671 11.40880190
|
GUYTEA
| 9.30465
|
C -2.37000531 2.81830045 8.39719991
C -3.04081248 1.67208177 8.13086116
C -1.55247787 1.40614116 9.96630236
C -2.30734520 1.49496113 11.27570114
C -2.05575301 2.27435581 12.38596056
H -1.21758066 2.95203206 12.40866598
C -2.91835046 2.19123795 13.47074394
H -2.72943699 2.79333922 14.34652717
C -4.01789438 1.34999604 13.43486872
H -4.67414807 1.29204126 14.29010506
C -4.30894604 0.59820109 12.30733711
H -5.17918759 -0.03389649 12.25659342
C -3.45220325 0.69539589 11.22513123
C -2.54213111 0.60351225 9.07443021
C -4.52932986 -0.79178855 9.58150065
C -5.31029099 -2.01790562 7.74957813
H -4.97628062 -2.23856940 6.73939091
H -6.26997750 -1.49980168 7.72555649
H -5.41117853 -2.93263987 8.33714195
C -4.01674880 1.48142582 7.15551355
C -1.70357951 5.05198977 8.22647361
H -1.98374329 5.90610455 7.61424914
H -0.64405034 4.82384402 8.08987297
H -1.89084774 5.26642148 9.28093800
C -0.13247438 0.78808955 10.06253902
C 0.49348565 0.71929058 8.66515427
H 0.56771316 1.71463769 8.23324519
H -0.08232942 0.09321899 7.98850678
H 1.49540581 0.30265474 8.73528201
C 0.76442462 1.65769500 10.94864362
H 0.47500353 1.57506503 11.99184279
H 0.70777078 2.69885150 10.64201802
H 1.79644800 1.32666448 10.85834595
C -0.22933457 -0.61256821 10.67018359
H -0.69775162 -0.57196584 11.65126981
H 0.76866471 -1.02932540 10.78161260
H -0.80867232 -1.28548021 10.04319637
N -3.56481333 0.08891998 9.97833065
N -4.82475061 1.31607167 6.35559153
O -1.45691843 2.72201050 9.38126245
O -2.51472933 3.97939204 7.77646552
O -5.43104118 -1.19098931 10.27217641
O -4.31325099 -1.17579490 8.30851092
H -2.10525053 -0.23911801 8.53267914
|
WADVED
| 9.14492
|
O 2.85099586 -0.33595338 2.23103841
N 0.74773462 2.75205296 4.05153112
N 1.48760385 2.77482518 5.15563244
F 1.49878079 1.68893597 0.93768885
F 0.18061725 0.25446096 1.85501859
O 4.14494386 -0.34886154 4.06884445
F -0.41135065 2.31038784 1.69080432
C 2.35319918 1.18634999 3.90317783
C 1.19183240 3.69639373 6.17482470
C 1.24311267 1.80544782 3.28053035
C 2.46742366 1.85263188 5.11090738
C 1.85082932 3.65741002 7.39851992
C 3.21949764 0.09316878 3.43268919
C -0.09744329 5.57653858 6.92020887
C 0.21393315 4.65717791 5.93663430
C 0.63372086 1.51536541 1.95029224
C 3.61233132 -1.39951849 1.65766548
C 0.56035230 5.54466236 8.13918021
C 3.01308487 -1.72250160 0.30296886
C 1.53081508 4.58484406 8.37378736
H 3.19072604 1.69699830 5.88285897
H 2.60223952 2.91091590 7.59915092
H -0.85600372 6.32083469 6.73299885
H -0.28654598 4.66426733 4.98207333
H 3.57508608 -2.26193933 2.33290225
H 4.65652213 -1.07773100 1.57250053
H 0.31692678 6.26407567 8.90585659
H 1.97142915 -2.00923016 0.41863013
H 3.56254295 -2.53890019 -0.15630313
H 3.06015990 -0.84891181 -0.34134304
H 2.04280243 4.55400215 9.32342972
|
YUJCUB
| 9.55554
|
O -1.35977026 0.46892527 9.57355165
O 3.35365623 1.18559512 6.79210121
O 3.34434111 3.44283155 6.82261504
C -0.51939937 0.17079695 12.54340748
C -0.72520438 -1.32628715 12.33756681
C 0.40753538 -2.13558368 12.88085048
C 1.56400608 -1.64488703 13.30464466
C 1.82811908 -0.14392858 13.35123464
C 3.29846065 0.15159864 13.02926351
C 3.55074000 1.64317071 12.87844312
C 2.72070601 2.23236820 11.73869802
C 1.19960235 2.01872000 11.94104170
C 0.94471138 0.51701814 12.25741307
C 0.45033363 2.39496104 10.62143163
C 0.63891337 2.96727170 13.00733318
C 3.12908525 3.69358408 11.54233478
C 1.53149648 0.28320165 14.79793988
C 2.63745678 -2.56753822 13.80753812
C 0.74582968 1.57326258 9.39965890
C -0.16451076 0.61449689 8.93397250
C 0.13357123 -0.15399109 7.81594509
C 1.30895351 0.03618342 7.11645492
C 2.18016833 1.03077588 7.52938882
C 1.89883444 1.78802421 8.65619125
C 3.84651366 2.39978678 6.50446617
C 5.11437560 2.26251545 5.70061757
H -1.88873778 -0.19638842 9.11777719
H -0.78492231 0.43861336 13.56480565
H -1.18781223 0.70856297 11.87602750
H -0.81054563 -1.53815810 11.26572507
H -1.66356512 -1.64890332 12.79878556
H 0.24341493 -3.20664979 12.88380425
H 3.56431679 -0.34284664 12.09067497
H 3.94313081 -0.24543610 13.81465256
H 4.60919892 1.80042248 12.65260414
H 3.34593084 2.16427721 13.81360202
H 2.99762729 1.67201892 10.83999732
H 1.21610189 -0.00684418 11.33140012
H 0.69063018 3.43341450 10.39271766
H -0.62046604 2.34569095 10.81261398
H 0.56876512 3.97793132 12.61125125
H 1.26730932 3.00295650 13.89022775
H -0.35799202 2.65994362 13.30800885
H 2.59848227 4.16435034 10.71965151
H 2.94909899 4.27264920 12.44455341
H 4.19370053 3.74566911 11.32005568
H 2.19073269 -0.25964387 15.47300603
H 0.51070420 0.04375191 15.07944778
H 1.69558352 1.34175446 14.95813448
H 3.00802120 -2.25307277 14.78129178
H 2.25066096 -3.57976187 13.89956932
H 3.48189879 -2.58833030 13.11939256
H -0.57252859 -0.90317958 7.48113886
H 1.54280657 -0.55948309 6.24856131
H 2.57599373 2.57680421 8.93675786
H 4.87021508 2.38797525 4.64716072
H 5.81010326 3.04714444 5.98399595
H 5.55441636 1.28159477 5.84970271
|
NIZYUS
| 9.40724
|
Cl 0.14893866 6.25111131 -0.38503937
N -0.72196737 2.44329585 0.37531082
H 0.00157230 1.84988800 -0.00010194
S -1.66972689 1.68705257 1.51383050
O 1.90118117 2.83934111 0.92160826
O -2.61922360 2.65526534 1.97545010
O -2.13150169 0.47365464 0.91290441
C 1.02612685 3.80473950 1.46322465
H 1.48106359 4.80479466 1.42247827
H 0.81292257 3.56562426 2.51556468
C -0.27578017 3.78549046 0.64686136
H -1.07810132 4.25582180 1.22235714
C -0.11108200 4.50877173 -0.69866174
H 0.79356455 4.14914618 -1.19564013
C -1.31602136 4.32164437 -1.57028801
C -1.19736408 3.66777302 -2.78904616
H -0.22959879 3.31450654 -3.11511199
C -2.31127506 3.46291883 -3.58361673
H -2.20898374 2.95085871 -4.52891448
C -3.55217815 3.91204912 -3.16723634
H -4.42185511 3.75034300 -3.78655537
C -3.67490908 4.57058146 -1.95524863
H -4.64048841 4.92348280 -1.62614305
C -2.56336708 4.77592437 -1.15978228
H -2.66450879 5.29383128 -0.21846542
C 3.09738365 2.71963666 1.64814910
H 3.65025836 3.66620868 1.65939256
H 3.69032759 1.95800547 1.14657508
H 2.90019991 2.41036782 2.68232140
C -0.55031345 1.27834065 2.84962006
C -0.63263483 1.95423514 4.05148283
H -1.41113554 2.68973893 4.17978927
C 0.27711946 1.66677083 5.05315728
H 0.22073607 2.18691775 5.99813440
C 1.27151771 0.71135442 4.85610083
C 1.32980909 0.04037300 3.63906204
H 2.09317337 -0.70649462 3.47754040
C 0.41874453 0.31984249 2.63449557
H 0.44229796 -0.20156052 1.69089291
C 2.25909759 0.42390985 5.94447406
H 2.90219858 -0.41068583 5.67923052
H 1.74220586 0.18723132 6.87254836
H 2.88347710 1.29789706 6.12809476
|
GIMWIL
| 9.41867
|
N 7.81088712 3.98223815 8.79172990
O 9.27644278 6.21984175 8.13697429
C 7.40443900 5.44109771 6.83466673
C 6.40609344 5.74680363 5.92197763
C 6.67729999 4.52849765 9.52888497
C 9.25338781 1.99411826 8.45954880
C 8.29151737 6.44533079 7.23211826
O 10.85013571 3.61554126 9.27834568
C 8.17510730 7.73417451 6.70010940
C 7.17160237 7.99798881 5.78449088
C 9.02867986 0.87544201 7.66849315
C 6.27351526 7.01817760 5.38488786
C 7.55186402 4.03210492 7.35224587
C 8.11614179 2.61725390 9.22662339
O 9.35394014 5.27680454 10.93669285
C 10.54370815 2.52352076 8.53618915
C 11.58692034 1.92919377 7.81515395
C 10.04932355 0.27093552 6.95281624
C 6.98545865 4.89292524 10.98201696
C 11.32342778 0.81564005 7.03806456
C 8.10548035 5.92064837 11.11668901
C 5.19102991 7.31355419 4.39065447
C 9.77994057 -0.95026822 6.12523753
C 9.14361481 8.78891503 7.13947479
C 12.95669064 2.52431659 7.90762630
H 8.40607624 3.55855813 6.85383171
H 6.35923120 5.43643911 9.00805563
H 8.37417561 2.65986914 10.28976607
H 5.71913936 4.96826718 5.61943027
H 8.02866604 0.46764991 7.61097335
H 7.22487954 1.97388518 9.12425159
H 7.97024709 6.71540451 10.37474199
H 7.26017825 4.00888667 11.55802641
H 6.07563021 5.30889330 11.41778242
H 5.82788711 3.82197319 9.51568775
H 6.65186652 3.45094441 7.08934666
H 7.08654819 8.99529388 5.37629690
H 10.16409335 8.45548025 6.95761190
H 8.97019858 9.72060959 6.60806089
H 12.13263971 0.36085724 6.48426332
H 9.12629609 5.34036176 8.53828569
H 10.08058895 3.93250439 9.78017996
H 8.07067366 6.37035935 12.11981703
H 13.67409615 1.94811186 7.32868858
H 8.83014969 -0.86072919 5.60139936
H 13.28040929 2.55631062 8.94700824
H 12.94250602 3.54985387 7.54205328
H 10.57137779 -1.10816080 5.39740542
H 9.72509608 -1.83284895 6.76476842
H 5.37391255 6.77737135 3.45953403
H 5.14593939 8.37735490 4.16826385
H 10.01954041 5.93663130 10.71680135
H 9.04781227 8.96777534 8.21015454
H 4.22059591 6.99859571 4.77190079
|
NEQJOJ
| 9.93188
|
Si 1.24466536 7.63397804 1.87375689
O 1.28007766 7.92209146 3.49679088
O -0.20177354 7.30441587 1.18621396
O 1.32003943 9.15915011 1.28727949
N 0.88677118 5.43466002 2.73870796
C 0.59939985 5.70343701 4.12171597
H 0.88255013 4.87109577 4.77686154
H -0.46988262 5.87641427 4.23195153
C 1.32873483 7.00694027 4.54272313
H 0.76728653 7.44992638 5.38066897
C 2.74397376 6.76860650 5.03267147
C 3.81077314 7.48560113 4.50871282
H 3.61823663 8.22250896 3.74573619
C 5.09874050 7.26886823 4.96559510
H 5.91837730 7.83159422 4.54327097
C 5.33634367 6.33972020 5.96317119
H 6.34102921 6.16722699 6.31955786
C 4.27413151 5.64388340 6.51546610
H 4.44840201 4.93160502 7.30875096
C 2.98659797 5.86146316 6.05951532
H 2.16450473 5.32618662 6.51336491
C -1.05086342 6.29756276 1.61737312
H -1.78309597 6.10028815 0.82806562
H -1.58628640 6.64356505 2.50897677
C -0.24001291 5.02774095 1.91122615
H 0.18698189 4.72099705 0.95229708
C -1.02533066 3.86351655 2.47037484
C -0.61919411 2.57224400 2.14463050
H 0.20380331 2.43044383 1.45823360
C -1.25929336 1.46581187 2.67298509
H -0.92421399 0.47391882 2.40759955
C -2.33043801 1.63078710 3.53335033
H -2.83445484 0.76988032 3.94641626
C -2.75816325 2.90780378 3.85004451
H -3.60228308 3.04730357 4.50921050
C -2.11174662 4.01374229 3.32504264
H -2.47792410 4.99688236 3.57771126
C 2.12993634 4.73125842 2.49551444
H 1.98795450 3.64078962 2.50193147
H 2.81937661 4.98771941 3.30202416
C 2.73154574 5.20764051 1.17493017
H 2.12303187 4.86402331 0.33677177
H 3.72648266 4.77345070 1.05617995
C 2.79249761 6.73206561 1.16816667
H 2.95602330 7.07699309 0.14760595
H 3.66692237 7.04362067 1.74029480
C 2.35551117 10.06151875 1.51447475
H 2.47988768 10.24644494 2.58428032
H 2.10494621 10.99761966 1.01483415
H 3.29942019 9.68169323 1.11207036
|
QABPER
| 8.17021
|
O 1.56572123 2.47329609 2.11274573
O 3.88746292 2.98999092 3.20554240
O 2.82236870 1.44472349 4.44720083
O 4.07956714 6.32306096 6.49701074
O -0.00218001 5.62044367 4.00843417
C 1.26377198 3.60687991 2.42311546
C 0.23722297 4.36641842 1.62303439
H 0.14211764 3.90014358 0.64506961
H 0.50673115 5.41304508 1.52175791
H -0.72098223 4.30555492 2.13386170
C 3.47122650 1.71508224 3.47154566
C 1.91418303 4.32331290 3.54875755
C 3.23683937 3.99190677 3.89134326
C 3.93879290 4.67413107 4.86100529
H 4.95639133 4.40611514 5.08943145
C 3.32029350 5.70539391 5.56459540
C 1.99566958 6.02269459 5.28661431
H 1.50498261 6.79986115 5.84671669
C 1.29536863 5.34977418 4.29062133
C 3.51197197 7.34998001 7.27639547
H 4.30049560 7.67543318 7.95244596
H 2.66254173 6.98618141 7.86271345
H 3.19612962 8.19600285 6.65761808
C -0.70282380 6.56224424 4.78665331
H -1.71866798 6.56397789 4.39462007
H -0.27877964 7.56639174 4.68522069
H -0.72605052 6.27667154 5.84256539
C 4.04782145 0.76063413 2.49756722
C 5.25765473 1.05816946 1.91146482
H 5.75202567 1.98603601 2.15496355
C 5.86490756 0.16805834 1.01913101
H 6.81983720 0.42347367 0.58351543
C 5.25284194 -1.01389632 0.70744866
H 5.71627061 -1.70979825 0.02187435
C 3.35691099 -2.55909138 0.93845972
H 3.84272098 -3.23136147 0.24491723
C 2.14105513 -2.87135379 1.47636570
H 1.65044437 -3.79888450 1.21799438
C 1.51773424 -1.98148427 2.36386239
H 0.55070742 -2.23519702 2.77316901
C 2.11908832 -0.80286587 2.70929360
H 1.63451310 -0.12098093 3.38716693
C 3.38023737 -0.45573634 2.18278258
C 4.00396300 -1.34923332 1.26888714
|
SULXEF
| 9.12071
|
S 6.14261148 2.05369350 10.54360226
S 2.39665118 -1.87045973 9.07549997
N 4.96762778 0.88519759 10.60292498
O 5.46392681 3.31886448 10.54043547
C 6.39664989 2.37291492 7.82273794
H 5.50503497 2.97352766 7.90766548
C 5.36531820 -0.50589252 10.49656927
H 5.59560392 -0.73871730 9.43890246
C 6.94956981 1.82306169 8.96237608
O 7.11268849 1.83699002 11.57722852
C 3.77141481 1.19317648 9.85557309
H 3.89909987 0.92443442 8.79319048
H 3.61173434 2.26586437 9.93311632
N 2.92250316 -1.00584816 10.38685981
B 6.51365301 -0.18790816 12.81834608
C 6.54425386 -0.81983254 11.37848794
C 8.72006900 0.87205130 7.67663778
H 9.63005135 0.29267776 7.62001021
O 5.37734895 0.33372887 13.35973942
C 8.10509102 1.06770461 8.89920080
H 8.50761825 0.66193052 9.81391014
C 7.53461301 -1.58229842 10.93008820
H 7.55555544 -1.97436555 9.92295061
H 8.35899441 -1.83981476 11.57098167
C 7.02148325 2.17672624 6.60227882
H 6.60402097 2.62442264 5.71246110
O 7.55964132 -0.18228601 13.68222107
C 4.18187778 -1.37805426 10.97195085
H 4.35621102 -2.42406432 10.71953506
H 4.11165048 -1.27837132 12.05760437
O 1.04984274 -1.45489811 8.81315408
C 8.19086538 1.43028759 6.51566538
C 3.39558555 -1.40539598 7.65659364
C 5.66137156 0.84415579 14.66208407
C 2.59862400 0.40397875 10.44734940
H 1.70774752 0.53091779 9.82482602
O 2.65765000 -3.25175921 9.35706324
C 4.92337635 -0.68966030 5.45684289
C 8.90527817 1.25310055 5.21152008
H 8.30506135 1.60975712 4.37942575
H 9.15492356 0.20677542 5.04733207
H 9.83903824 1.81453660 5.22486733
C 4.60031085 -2.04023869 7.42825575
H 4.91039727 -2.83057499 8.09378732
C 2.27621478 0.82920517 11.89307844
H 3.18438347 0.70502494 12.48821511
C 2.94135446 -0.41814227 6.80275796
H 1.98421912 0.03902452 6.99911061
C 3.70542280 -0.06310034 5.70618228
H 3.35039168 0.69839733 5.02731478
C 5.36462132 -1.67535113 6.33221522
H 6.30509943 -2.17306687 6.14605716
C 4.81249928 0.04100699 15.65508654
H 3.76268897 0.18220979 15.40805429
H 4.98159951 0.37657463 16.67371571
H 5.03416573 -1.02010974 15.57824775
C 7.21851413 0.61816989 14.81759662
C 5.22270475 2.30890187 14.69440213
H 5.68059488 2.85370755 13.87452013
H 5.48223263 2.77149456 15.64237362
H 4.14380290 2.35386039 14.56515538
C 8.03727077 1.90775921 14.70485007
H 9.09300377 1.65242966 14.75890779
H 7.80109706 2.60178531 15.50541853
H 7.85209601 2.36485072 13.73711805
C 1.16508560 -0.05996712 12.44792183
H 0.24467555 0.09714495 11.88947719
H 0.97992247 0.17076625 13.49462248
H 1.43497912 -1.10864832 12.36152620
C 1.85808649 2.29785008 11.95328162
H 2.69968520 2.95545355 11.75338254
H 1.48084845 2.52956986 12.94710286
H 1.06700431 2.50374676 11.23459501
C 5.70959437 -0.33583506 4.23343666
H 5.22163843 -0.75028596 3.35132917
H 6.71762104 -0.73603683 4.28642669
H 5.75979886 0.74288810 4.10693532
C 7.63312911 -0.13359211 16.08337986
H 7.17313911 -1.11567916 16.12820129
H 7.36332171 0.43599855 16.96804997
H 8.71165235 -0.26924206 16.06899985
|
DOKNUN
| 8.13539
|
O 3.20499875 1.35627344 5.67473463
O -1.99307396 -0.50513902 2.50393247
O 1.45938186 0.09475009 2.25032034
O -1.91472349 5.09555030 4.05107820
O 1.26206217 5.40611830 4.87297610
C -0.25173888 3.63969759 3.32333410
O -0.35832745 5.95770322 2.68381342
C -1.14812134 1.35540354 3.64848486
C -0.20974301 0.97028578 4.66142022
O 1.06301087 2.00159521 1.14194552
O -2.20240487 3.97797975 1.45489210
O -1.23017054 0.72274029 6.75148263
C 1.04471478 3.43060047 3.63696135
C 1.09873754 1.31343452 4.65152600
O -0.82986524 -1.14814336 5.56848954
C 1.34554032 1.41346571 2.14846187
C -1.16681943 2.56307877 3.01578022
C 1.95410908 0.91421044 5.79438523
C 1.66939082 2.07610957 3.48970246
H 2.75682728 2.16652789 3.57762788
C -0.76358097 0.03924688 5.72385396
O 1.55900529 0.25942927 6.72890982
C -2.28449152 0.36986751 3.45411126
C -0.81938008 5.03507687 3.29492323
O -3.08224608 1.94233402 1.75181736
O -3.25008586 0.34171989 4.16591959
C -2.25873982 2.78130696 2.02739105
C 1.93804177 4.50191199 4.16292316
O 3.13192047 4.51268799 4.00913877
C 1.14224914 -0.66339272 1.08741857
H 1.51848791 -1.66682479 1.26774090
H 1.61350561 -0.22166592 0.20751126
H 0.05978254 -0.68100049 0.95074415
C -3.17395726 4.24307786 0.45212763
H -2.97545097 5.25231397 0.10092497
H -4.18022931 4.16535550 0.86979709
H -3.07352422 3.52700093 -0.36550726
C 2.00853305 6.51928780 5.34963166
H 1.39437135 6.99893149 6.10750490
H 2.20660245 7.20854770 4.52681118
H 2.95742212 6.18429908 5.77330255
C -2.97933807 -1.50668783 2.27449918
H -2.61582035 -2.10917564 1.44621953
H -3.93013959 -1.03442389 2.02280928
H -3.10250242 -2.11756084 3.17058569
C 4.09440253 1.01163558 6.72791560
H 5.06712335 1.40137271 6.44022183
H 4.13095427 -0.07237305 6.85182957
H 3.76264877 1.46215213 7.66556503
C -1.79593062 -0.05418688 7.80253108
H -2.18087349 0.65535136 8.52977997
H -1.02456182 -0.68548652 8.24684409
H -2.59888296 -0.68140778 7.41138379
C -2.56401772 6.35920090 4.09957526
H -3.42719053 6.23265732 4.74763690
H -2.87415867 6.66139455 3.09736654
H -1.88733354 7.11518361 4.50249175
|
XEHHUO
| 9.22057
|
C 2.75455399 1.94264155 10.53709743
H 2.54786988 0.89307095 10.35790011
H 2.46161909 2.22072333 11.54472826
C 2.12899352 2.84432449 9.49210690
H 2.76243453 2.83142348 8.59407201
C 0.68118135 2.45658770 9.08916620
C -0.20967876 2.36734662 10.32985979
H -0.15019878 3.29031642 10.90170263
H 0.08782302 1.54036507 10.96913399
H -1.24389692 2.21283333 10.03175413
C 0.70304025 1.11796186 8.34880949
H -0.29044412 0.89605773 7.96635129
H 0.99868477 0.30070612 9.00105561
H 1.39400700 1.15619003 7.51053468
C 0.12831736 3.53041376 8.14611033
H -0.84523211 3.22703809 7.76849651
H 0.79646427 3.68145881 7.30171431
H 0.00860266 4.47946863 8.66466476
C 2.58865939 5.17289802 9.26312324
C 2.53871221 6.48803097 9.96077116
C 2.30497574 6.57590766 11.26536126
H 2.27947049 7.52878822 11.76721650
H 2.12927218 5.70228462 11.86769585
C 2.79475313 7.66359718 9.07414612
H 2.79449606 8.58839206 9.64327875
H 2.03194473 7.71581047 8.29895549
H 3.75406216 7.53964236 8.57492280
C 4.95745549 3.78728552 10.77475439
H 4.73831057 4.11099069 11.77643246
C 5.51090331 4.53148208 9.82563054
H 5.68863372 4.06754154 8.86405097
C 5.88036631 5.92025385 9.97271890
H 5.70569085 6.36544783 10.94343963
C 6.39723342 6.63585843 8.97857344
H 6.56689905 6.20149133 8.00754841
H 6.66347605 7.67197422 9.10052061
O 2.14984200 4.17029140 10.03688011
O 2.98110940 5.03201491 8.13201699
O 4.97550806 1.75589875 9.10415788
O 5.11120798 1.28216882 11.52095466
S 4.57557667 2.07782110 10.44659141
|
PEPFAU
| 8.03279
|
Cl 7.26388844 0.54608505 7.71898572
O 6.87972657 4.46453444 4.34003167
N 7.45328558 4.01482069 1.76495904
H 6.94022100 4.57310549 2.43201617
H 7.52039748 4.33238099 0.81443815
N 7.31116038 2.70012067 5.70560581
H 7.76732629 1.79720420 5.76974596
N 5.63973977 2.18388193 8.88563631
C 8.41797393 3.19538781 2.24787602
C 9.34589578 2.61500174 1.36928154
H 9.28599959 2.86670503 0.31986882
C 7.49584816 3.43109726 4.55792124
C 6.48882007 2.97680933 6.77975265
C 8.47807591 2.85124115 3.62001656
C 4.93975764 3.30032006 9.02115285
H 4.34820738 3.37072619 9.92220602
C 10.40931337 1.45681151 3.17731865
H 11.19008602 0.80667348 3.53931749
C 9.49595622 1.99709365 4.05536805
H 9.60430485 1.77842410 5.10816855
C 5.74894910 4.14838830 6.94109518
H 5.79498717 4.90841077 6.17888815
C 4.96662455 4.30862849 8.07339317
H 4.38852179 5.20816948 8.21111341
C 6.37618354 2.03503256 7.81633254
C 10.32014199 1.75957246 1.82279012
H 11.02770742 1.33317315 1.12732017
|
TABVIB
| 8.04858
|
Se 2.27883910 1.87875546 17.25366320
Se 3.78666452 0.14089312 16.78222932
Se 0.62154416 -0.70606964 15.66272232
N 2.12152836 -2.17418322 17.88517669
N 0.98266862 2.08950274 14.48047454
B 2.45170928 -1.43708272 16.43219930
B 0.69587533 1.38044587 15.96438891
C 1.39549417 -1.27038326 18.80310082
H 0.39849299 -1.12265871 18.38898382
H 1.90153945 -0.30392733 18.81736634
C 1.32042746 -1.84994572 20.21651854
H 0.33482193 -1.65770826 20.64161375
H 2.05945981 -1.38387941 20.87029168
C 1.58816246 -3.34871196 20.11910827
H 1.36587122 -3.85051030 21.06359044
C 0.72299467 -3.90317519 18.98905425
H -0.31145233 -3.58770752 19.13062413
H 0.73958515 -4.99361305 18.98469081
C 1.28272468 -3.37167467 17.66515745
H 1.90552031 -4.12583788 17.18442672
H 0.47862690 -3.10320769 16.97511342
C 3.36389353 -2.59586055 18.56478971
H 3.86853779 -1.69281527 18.91454442
H 4.01725489 -3.08138674 17.84001062
C 3.05444379 -3.53720589 19.73438310
H 3.23019772 -4.57758154 19.45446162
H 3.70727169 -3.30656374 20.57667158
C 3.13117482 -2.49397454 15.40467455
H 2.48254279 -3.36312099 15.26166424
H 4.07946539 -2.86562418 15.80832727
C 3.42951292 -1.93426747 14.01261957
H 3.93013255 -2.67963333 13.39708067
H 2.50030200 -1.65759566 13.51755160
H 4.07251652 -1.05781266 14.08116897
C 1.07066970 3.55617996 14.61261397
H 1.94167551 3.77957424 15.23345362
H 0.18459679 3.90598922 15.14138359
C 1.17919714 4.23863265 13.24154548
H 2.00429368 4.95176879 13.24243358
H 0.26541253 4.79034612 13.01407040
C 1.41471740 3.16913167 12.17876877
H 1.59208783 3.63134252 11.20440197
C 0.19390878 2.25568367 12.12376760
H 0.39681843 1.41265532 11.46206300
H -0.66435076 2.79440705 11.71982594
C -0.11468787 1.76939534 13.54502906
H -1.02080249 2.24280379 13.92232871
H -0.26929753 0.68779666 13.56606513
C 2.24959788 1.60000165 13.90024358
H 2.13273005 0.53070146 13.72505717
H 3.03978956 1.73560829 14.64018158
C 2.61348531 2.33132980 12.60617216
H 3.48078288 2.97582147 12.75743762
H 2.86901829 1.61060964 11.82842279
C -0.67687915 1.95342375 16.61542524
H -1.50950807 1.88777975 15.90904044
H -0.55520142 3.01239278 16.87000831
C -1.12392860 1.24379653 17.89458896
H -2.02545502 1.70372498 18.29543221
H -1.34095428 0.19809403 17.68441078
H -0.34416121 1.30083078 18.65258569
|
QUQTOM
| 8.746
|
Cl -1.72059580 -1.27896526 14.38117835
O 3.65304226 4.61406499 10.84276282
H 4.36866626 5.18544118 10.53367652
O 5.12447542 2.99057183 11.57432020
O 4.22914331 -0.59954534 9.82656013
O 2.05157157 -0.33810174 10.11705193
O 5.38155491 5.81889381 12.40469041
C 2.90042103 3.16817320 12.57087417
H 2.14710883 3.90328073 12.85071991
H 3.24898540 2.66168939 13.47203129
C 3.45535646 1.36153105 10.98151161
C 1.30389018 1.28417153 12.25246361
C 4.08566728 3.89596034 11.94721156
C 2.32166918 2.16217320 11.56830748
H 1.83198332 2.71782052 10.76033666
C 5.49503168 -0.17916536 9.93766899
C 3.15036500 0.12057411 10.30776431
C 5.80316006 1.00103909 10.51791250
H 6.81546346 1.35355900 10.59660164
O 4.81627038 4.55668133 14.17125602
C 4.74382789 1.80230147 11.04121759
C -0.05048119 1.42977138 11.99187412
H -0.38148278 2.15566724 11.26448188
C -0.98642112 0.64560683 12.64139383
H -2.03841817 0.75741960 12.43048296
C 1.71072329 0.33865544 13.18571331
H 2.76267896 0.20824735 13.39647682
C 6.48869815 -1.12874940 9.35681506
H 7.49238658 -0.72314295 9.42495774
H 6.24192731 -1.32658452 8.31541784
H 6.44284579 -2.07751471 9.88894935
C 4.79257264 4.79006485 12.99534918
C 0.78817564 -0.45392552 13.84119378
H 1.10931202 -1.19284588 14.55868630
C -0.55926986 -0.29361194 13.56404090
C 6.10707792 6.72724785 13.24678018
H 7.05204316 6.25168996 13.52871016
H 5.52275880 6.89957227 14.15626983
C 6.34021071 8.01207327 12.47617720
H 6.91790877 7.81448735 11.57729401
H 6.88604413 8.71341887 13.10022210
H 5.39095118 8.45740360 12.19049577
|
QERTOX
| 8.25212
|
Br 4.61525503 6.65385645 4.22508063
S 7.78479119 8.18802721 2.48521730
O 7.07619676 8.74737822 3.59094520
O 8.53509226 9.06680943 1.64674412
O 2.40929727 6.90721018 0.92273108
O 3.08738469 5.63124924 -0.78840436
N 6.62308942 7.41472764 1.48084727
C 5.25114283 7.35292991 1.57844145
C 4.73235355 6.66624766 0.49846228
C 5.84346589 6.28673535 -0.33155558
C 5.96473605 5.59776259 -1.53534717
H 5.08840286 5.21736392 -2.03329540
C 7.22550101 5.42033853 -2.06354809
H 7.34205602 4.88839129 -2.99588291
C 8.35884879 5.92130782 -1.42316805
H 9.32892238 5.77205864 -1.87232994
C 8.26554665 6.60826537 -0.22857776
H 9.13742513 7.01719831 0.25313788
C 7.00041705 6.77986532 0.30908095
C 8.81163249 6.82367462 3.00673415
C 8.25043590 5.74105785 3.65373361
H 7.19173167 5.71051118 3.85170840
C 9.07566199 4.70308037 4.05685248
H 8.65067077 3.85083344 4.56360767
C 10.43866955 4.76448739 3.81317422
H 11.07753016 3.95371513 4.12965389
C 10.98866385 5.86340641 3.17138443
H 12.05136495 5.91207111 2.98966936
C 10.16985516 6.90347529 2.76439874
H 10.56156523 7.77726083 2.26718367
C 4.51035319 7.90298924 2.72736362
H 3.45130449 7.98983007 2.48977128
H 4.93558277 8.83145447 3.09927232
C 3.30766295 6.43358819 0.26288660
C 1.72496568 5.36226451 -1.08163119
H 1.72624567 4.65008803 -1.90284171
H 1.21012963 6.28066950 -1.37158006
H 1.22404906 4.94141931 -0.20752039
|
VERJUA
| 7.69049
|
Cl 4.08840527 3.78405314 8.47978661
N 5.07646213 10.53191258 12.45478408
N 5.10798496 9.42077569 11.85323619
C 5.47825999 10.87251087 13.62121709
C 6.30796619 10.13362945 14.57545308
C 6.84000204 8.85934588 14.51183901
H 6.66476164 8.22417850 13.65569871
C 7.59992011 8.40859776 15.58233809
H 8.02463909 7.41597890 15.55344336
C 7.82018498 9.21496813 16.68893620
H 8.41580971 8.83949965 17.50829994
C 7.28425813 10.49330027 16.76226125
H 7.45764430 11.11165522 17.63035517
C 6.52512864 10.95424591 15.70317572
C 5.83408646 12.21718959 15.48896429
C 5.73323289 13.35007867 16.27521948
H 6.21974897 13.40121113 17.23788232
C 4.99144565 14.42267240 15.80117017
H 4.90185264 15.31547537 16.40280139
C 4.36253909 14.36762363 14.56537183
H 3.79131597 15.21750730 14.22183066
C 4.45803073 13.23755702 13.76667815
H 3.96968999 13.19075412 12.80527269
C 5.19371023 12.16390725 14.23300544
C 5.81868347 8.96213147 10.89730465
C 7.06143281 9.66857817 10.42360810
H 7.15532277 10.62526362 10.93331358
H 7.01291168 9.84652478 9.35059495
H 7.94539853 9.06900495 10.63847441
C 5.40789474 7.70011395 10.29430973
C 6.18774063 7.05984467 9.32845401
H 7.12011511 7.49434124 9.00572899
C 5.78645727 5.86066275 8.77203488
H 6.39536965 5.37393841 8.02658405
C 4.59371142 5.28379603 9.17704628
C 3.80151663 5.89771258 10.13635729
H 2.87511299 5.43925803 10.44449416
C 4.20977066 7.09375902 10.68662518
H 3.60038186 7.58044188 11.43214881
|
FUGPEE
| 8.82492
|
Se 8.71779643 9.29207507 0.37568990
Se 5.84087044 4.72643826 3.98918015
P 7.71468890 5.52555701 3.52323971
P 6.74108906 8.66937929 0.63851127
C 8.95174513 5.48503833 4.91514917
H 8.60312304 4.65419766 5.54516970
C 4.29802609 9.78715587 0.47766229
H 3.69441214 8.96705257 0.86862465
H 3.69442637 10.69561434 0.50492440
C 5.57256894 9.96765472 1.30032901
H 6.04701079 10.92059841 1.02927129
C 7.37689152 3.21604671 -0.86924198
H 7.33774435 3.45042690 -1.92282742
C 5.50888704 9.86426130 2.79349624
C 7.55715684 7.23746451 2.88645423
H 7.14899180 7.86987467 3.67872956
H 8.53525452 7.62973031 2.58987977
C 8.84625423 4.69197704 2.27996745
H 9.30186398 5.50656003 1.70057990
C 8.12954593 3.76540294 1.35180308
C 8.05826889 4.05564519 -0.00693948
H 8.54324203 4.94191725 -0.39661456
C 10.26764595 5.08380709 4.24757930
H 10.74614386 5.94628480 3.78198154
H 10.95783600 4.66987632 4.98423994
C 6.62532505 7.16191685 1.68845315
H 5.59360042 7.00055006 2.00944583
H 6.91668124 6.32829490 1.03458778
C 5.68142209 8.25020991 -0.84693440
H 5.10163718 7.36362745 -0.55652809
C 8.90970572 6.74726469 5.71988821
C 9.91959847 4.05860633 3.17071180
H 9.53170713 3.15160871 3.63986327
H 10.79460650 3.78695268 2.57804137
C 6.46973118 10.53997399 3.54229982
H 7.19211541 11.16488302 3.03604474
C 6.80922645 1.78901084 0.96715346
H 6.31559652 0.91054659 1.35464392
C 9.53476660 9.03835745 6.12144361
H 10.09374525 9.91373146 5.82512522
C 9.61146407 7.89055747 5.35380970
H 10.23088953 7.89505686 4.46934906
C 4.73725743 9.45151897 -0.94650969
H 5.26104345 10.30858986 -1.37546375
H 3.88538788 9.21876164 -1.58698422
C 7.49666042 2.62347592 1.82928588
H 7.53010105 2.38983672 2.88318602
C 6.50969420 7.92935804 -2.04868076
C 6.74917982 2.08130275 -0.38437681
H 6.21340861 1.42898472 -1.05788313
C 8.10728170 6.79295132 6.85563635
H 7.54048556 5.91761639 7.13985485
C 8.74816400 9.06713773 7.25979161
H 8.69514520 9.96239668 7.86169565
C 4.59402670 9.05527654 3.45837349
H 3.83078195 8.52120183 2.91207647
C 8.02744263 7.94179671 7.62045455
H 7.40556227 7.95462137 8.50348455
C 7.24932886 8.91140624 -2.69788746
H 7.21398241 9.93336328 -2.35024276
C 7.39150868 6.29517838 -3.58253615
H 7.44731397 5.27185558 -3.92460347
C 6.59576175 6.61641615 -2.49812771
H 6.03517588 5.84131533 -1.99229469
C 5.60723180 9.59087493 5.56773813
H 5.65055423 9.47732592 6.63987805
C 4.64495661 8.91899214 4.83493555
H 3.93499290 8.27549188 5.33186011
C 8.04624994 8.58892597 -3.78095537
H 8.61912676 9.36164230 -4.27125181
C 8.11821317 7.28104371 -4.22762031
H 8.74299627 7.02898033 -5.07149587
C 6.51668267 10.40804777 4.91741831
H 7.26879814 10.93822704 5.48130680
|
MEXJAD
| 8.78818
|
C 2.18740281 1.22836370 10.44260265
H 1.66069267 0.30992190 10.61406185
C 3.06885340 1.48032568 9.40448620
N 3.51667626 2.76129360 9.55170096
H 4.17565404 3.18155881 8.91729551
C 2.94843274 3.32067686 10.63919840
H 3.16345913 4.32851553 10.93729745
C 2.11524756 2.39160421 11.21854815
H 1.52169734 2.53514098 12.09997377
C 3.51081078 0.64940671 8.32594032
H 3.09264546 -0.36779130 8.30141598
N 4.33948036 1.07754500 7.46763797
C 4.75483860 0.23304020 6.39063262
H 4.33357115 -0.78295992 6.46869345
H 5.84726585 0.17171182 6.43089167
C 4.33699250 0.87442473 5.06525127
H 3.24629677 0.97554124 5.05970032
H 4.74772597 1.88810506 5.03631259
C 4.75512272 0.13879039 3.82140714
C 5.50572624 -0.95322563 3.80518934
H 5.89134283 -1.37322504 4.72281455
C 4.21829196 0.74741728 2.55101550
H 4.27674121 1.83688552 2.61686349
H 3.15789796 0.48852733 2.45889245
C 4.97142163 0.25683100 1.31891366
H 5.97632884 0.68417238 1.31177831
H 4.45757387 0.58546390 0.41322157
C 5.90878316 -1.68465917 2.55951400
H 5.81588525 -2.76137370 2.72532085
H 6.96790253 -1.48335717 2.36249775
C 5.07281168 -1.26259605 1.35595362
H 4.07004701 -1.68667528 1.44096255
H 5.52237971 -1.64080057 0.43571407
|
RITMUE
| 9.17812
|
S -1.30120290 7.89909115 7.71953937
O -7.06619391 13.01140043 6.40211234
N -4.37437917 12.89485740 6.72378254
N -3.14091253 11.29603769 8.69536316
N -3.36227642 8.92020467 9.12193323
N -4.65328315 8.63825030 9.40392381
N -3.83884787 7.04731557 8.13287236
C -6.31245058 13.86128145 5.62899612
C -6.85286588 14.72682681 4.69417155
H -7.92052976 14.77590750 4.54782372
C -6.03486801 15.53167894 3.91353446
H -6.47878490 16.19317503 3.18515794
C -4.66708254 15.47338514 4.07117103
H -4.02012152 16.09378905 3.46912124
C -4.11601114 14.62408203 5.01669974
H -3.04473718 14.60829759 5.14044265
C -4.91117733 13.80771549 5.81494892
C -8.45409602 12.96847713 6.19604263
H -8.82746581 12.20545599 6.87886876
H -8.70383427 12.68591933 5.16808274
H -8.93192942 13.92527399 6.43346880
C -2.98070700 12.52952386 6.60702805
H -2.31810775 13.27214870 7.07982754
H -2.72033650 12.43058708 5.55225468
C -2.76979878 11.18235903 7.29695269
H -3.37617334 10.42320202 6.77528427
H -1.71990606 10.89119095 7.23180958
C -4.54160243 11.66036385 8.80854886
H -4.79736293 11.74131634 9.86678577
H -5.19944679 10.90847259 8.34590940
C -4.76023796 13.00162531 8.11599896
H -5.80907456 13.28077013 8.18287699
H -4.14942295 13.76558223 8.62511441
C -2.75144273 10.17976628 9.50076372
C -2.82943282 7.96431904 8.32538889
C -4.93439465 7.51638136 8.81827386
C -3.59946185 5.84328960 7.37564188
H -2.96262815 6.12711405 6.53082782
H -4.54517429 5.45880600 6.99476684
C -2.87100433 4.79527187 8.21162768
H -2.71161440 3.89987321 7.61733073
H -3.44124385 4.53434759 9.10031589
H -1.90335280 5.18417892 8.51852542
C -6.31398369 6.93186667 8.87084353
C -6.96558846 7.00715681 7.48031315
H -6.97550299 8.04665708 7.14378500
H -6.39558900 6.42853552 6.75081831
C -8.39369334 6.46740089 7.55281897
H -8.84107844 6.51223211 6.55349863
C -8.37130421 5.01787893 8.03612758
H -9.38891783 4.62314787 8.06854872
H -7.79742602 4.39998940 7.34094231
C -7.74701654 4.95579967 9.42969251
H -7.72998586 3.91607777 9.77554938
C -6.31192328 5.47994324 9.36766111
H -5.73376160 4.84035242 8.70139103
H -5.85545214 5.43814382 10.35968036
C -7.15102975 7.77854482 9.84196069
H -7.14593146 8.81685883 9.50923962
H -6.69100896 7.75220337 10.83062159
C -8.58114082 7.24933980 9.90813239
H -9.15883507 7.86648730 10.60455164
C -8.56915778 5.80294212 10.39758933
H -8.13554486 5.75172224 11.39867896
H -9.58950954 5.41776261 10.45437690
C -9.21572261 7.31576317 8.52040831
H -9.24653830 8.35111268 8.17416971
H -10.24207443 6.94460642 8.55999223
H -1.66995296 10.03675866 9.41313715
H -3.02965285 10.37980304 10.53935986
|
IVEXUC
| 7.83689
|
S -0.08834679 -1.65153752 1.47032240
O 2.15922401 -2.14361619 -0.59641733
C -0.56993163 -0.51071653 2.66943892
C 0.30750574 0.55260299 2.75846264
C 1.36339112 0.44110943 1.83035817
C 1.30828943 -0.69785124 1.06555026
C 0.15764620 1.69023106 3.65706826
C 0.31550816 3.08769753 3.11749698
C -0.00000450 4.01051927 4.30775123
C 2.23268061 -1.12411214 0.04622645
C -1.82819720 -0.73124965 3.42630850
H 2.15433854 1.16421931 1.73800317
H -0.36463914 3.25099812 2.27865824
H 1.32966025 3.24408885 2.74427480
H -0.84891885 4.65400746 4.08206533
H 3.06322897 -0.40367935 -0.10570203
H -1.65492256 -1.37727900 4.28775426
H -2.56912285 -1.21449514 2.79309687
H -2.22105338 0.21653619 3.78724621
C -0.15764446 1.69023072 4.95843669
C -0.30750519 0.55260179 5.85704121
C 0.56993066 -0.51071918 5.94606249
S 0.08834535 -1.65154128 7.14517777
C -1.30829053 -0.69785487 7.54995078
C -1.36339078 0.44110750 6.78514527
H -2.15433799 1.16421752 6.87750101
C -2.23268272 -1.12411736 8.56927301
O -2.15922384 -2.14361988 9.21191898
H -3.06322664 -0.40368077 8.72120780
C 1.82819480 -0.73125329 5.18919079
H 1.65491836 -1.37728285 4.32774555
H 2.56912122 -1.21449904 5.82240134
H 2.22105091 0.21653219 4.82825214
C -0.31550133 3.08769684 5.49800995
H 0.84889768 4.65402380 4.53343616
H 0.36465686 3.25099727 6.33683993
H -1.32964849 3.24408744 5.87124577
|
PIHPEB01
| 9.3354
|
Si 5.78503358 3.35472337 3.39679991
Si 6.48744061 6.29519959 3.92636187
Si 7.59264776 5.67284307 6.76760025
O 5.60690688 4.96893696 3.64595999
O 6.81286767 6.36995342 5.52541967
O 7.12243282 4.10286179 6.94918040
H 6.34009835 3.89467187 7.45689520
O 6.35441462 2.63715299 4.73623423
H 6.67504964 3.18698982 5.46577516
C 5.42197285 7.78945477 3.53057863
C 4.42006939 7.72279937 2.56814074
H 4.23926108 6.78293853 2.06804096
C 3.65497760 8.83224345 2.25596525
H 2.87885842 8.76119539 1.50728125
C 3.88448008 10.03518597 2.90265623
H 3.28830507 10.90350529 2.66138316
C 4.88042617 10.12031780 3.86138768
H 5.06305476 11.05699839 4.36878134
C 5.64164940 9.00666745 4.16739578
H 6.41769447 9.07182881 4.91578959
C 8.11111138 6.21022554 2.96592645
C 8.98893395 5.15489708 3.20017323
H 8.74168463 4.41860923 3.95039868
C 10.16673394 5.03009481 2.48866545
H 10.83029285 4.20175693 2.68817001
C 10.49002722 5.96520062 1.52054179
H 11.40819579 5.86970505 0.95904607
C 9.63141826 7.02207339 1.27301269
H 9.87861416 7.75426111 0.51739376
C 8.45400266 7.14060188 1.99048791
H 7.78548158 7.96696434 1.79214636
C 4.04563486 2.75033354 2.98661461
C 3.85468216 1.46662763 2.48394755
H 4.71460549 0.83000343 2.33752030
C 2.59043673 0.99960645 2.17417001
H 2.46312440 -0.00128359 1.78608904
C 1.48606322 1.81452176 2.35759744
H 0.49740317 1.45281548 2.11395075
C 1.65778805 3.09655165 2.85234617
H 0.79904920 3.73774967 2.99584255
C 2.92456380 3.55670579 3.16253956
H 3.05828785 4.55746420 3.54549350
C 6.99082977 3.12250235 1.95963074
C 6.98350124 3.99690587 0.87621461
H 6.25423826 4.79351102 0.84991380
C 7.90309969 3.87581424 -0.14855137
H 7.88768795 4.57273936 -0.97414745
C 8.84827938 2.86458343 -0.11322434
H 9.57167025 2.77013864 -0.91034335
C 8.86081004 1.97528240 0.94735640
H 9.59495227 1.18223251 0.97765139
C 7.93955541 2.10448598 1.97078667
H 7.95629748 1.41575843 2.80225006
C 9.43794552 5.58128750 6.39809895
C 10.06572158 6.64370546 5.75085002
H 9.48413063 7.51395273 5.48540326
C 11.40894077 6.59144227 5.43017385
H 11.87379774 7.42138957 4.91816296
C 12.15548825 5.47189762 5.75738827
H 13.20470097 5.42631186 5.50396142
C 11.55072761 4.41119231 6.40964686
H 12.12952555 3.53593972 6.66853350
C 10.20567781 4.46817102 6.72772896
H 9.73502089 3.63478720 7.22697612
C 7.12495589 6.70425110 8.27788415
C 6.12694353 7.67386851 8.21981974
H 5.61472483 7.83863712 7.28374962
C 5.79193413 8.41889168 9.33592037
H 5.01390160 9.16610491 9.27226009
C 6.45314424 8.20850821 10.53439738
H 6.19417683 8.79039664 11.40716064
C 7.45152051 7.25177422 10.60981167
H 7.97297202 7.08680297 11.54157100
C 7.78220132 6.51030433 9.48970745
H 8.56514948 5.76787476 9.54935543
|
GICYIB
| 10.37379
|
C 3.07976647 11.32980315 8.38763298
C 3.50109653 9.97292989 9.02903154
H 4.45675497 10.15826938 9.54586833
C 2.48776979 9.48676351 10.07790014
H 2.12924385 10.34136432 10.64880557
H 3.01755697 8.81907376 10.75957025
C 1.31526290 8.70508803 9.48634314
H 0.82558398 8.16032217 10.29632298
H 1.72944013 7.97011733 8.79434227
C 0.25241411 9.54113388 8.75419626
C -0.71017262 8.55477564 8.06434085
H -1.24839465 7.97837815 8.81892786
H -0.13411671 7.86154060 7.44605001
C -1.69929349 9.25189882 7.16590346
C -1.03857717 10.10542103 6.11028017
H -1.79911943 10.62289777 5.52373856
H -0.47382332 9.44696822 5.44550536
C -0.09237920 11.10693721 6.76738882
H -0.65741745 11.82562634 7.36137809
H 0.44489536 11.66827962 6.00032368
C 0.93032976 10.42719529 7.68329432
H 1.58519600 9.78586755 7.08167627
C 3.51718050 12.47659187 9.30629762
H 3.14110273 12.32254943 10.31347222
H 3.10440137 13.40742309 8.92753609
H 4.60001861 12.55167654 9.33882166
C 3.73803789 11.52228199 7.01066443
H 3.39719816 10.77321792 6.30009159
H 3.46662703 12.50255320 6.62724572
H 4.82115014 11.46827257 7.09718655
C -0.53516240 10.40556249 9.74287310
H -0.79354183 9.82870715 10.62745207
H 0.05629984 11.26671741 10.04063240
H -1.45794516 10.76160558 9.29119297
O 1.67320789 11.47160253 8.29192220
O 3.69198204 8.93510277 8.08625766
H 4.46122007 9.14434893 7.54777350
O -2.89399365 9.13823487 7.27425931
|
HUTMUF
| 10.08861
|
C 10.41076904 6.65839300 9.36827927
H 10.00395354 5.76493761 8.89406671
H 10.65843546 6.44291410 10.41776198
C 11.67354717 7.13030705 8.65128668
H 11.43079435 7.30456652 7.60356149
H 12.44132746 6.36103762 8.72214449
C 12.17447995 8.44208474 9.27900931
C 11.03333825 9.47676266 9.20449407
H 11.33879509 10.40204153 9.69733632
H 10.81764805 9.69402476 8.16015103
C 9.78223773 8.92888037 9.88772154
H 9.99048332 8.78467070 10.95981086
H 8.94207313 9.61309091 9.76878143
C 13.42311513 8.99562495 8.48515416
C 14.57935563 8.00929481 8.36576179
C 14.84703600 7.01012547 9.29405622
H 14.20823920 6.87931750 10.15289000
C 15.93690794 6.17256004 9.12567308
H 16.12708479 5.39770815 9.85396872
C 16.78010305 6.32427303 8.03969065
H 17.62913789 5.66900212 7.91415125
C 16.53109651 7.32850798 7.12044262
H 17.18828106 7.46601048 6.27455267
C 15.44209647 8.16372482 7.28459504
H 15.25844217 8.95607143 6.57365380
C 13.94127175 10.24620418 9.18415665
C 14.75751075 10.15079817 10.30673695
H 15.07378957 9.18324112 10.66712807
C 15.19359494 11.29438469 10.95357604
H 15.82646391 11.20532121 11.82431320
C 14.82990751 12.54452210 10.48420680
H 15.17508127 13.43503966 10.98797060
C 14.03014958 12.64494100 9.35892738
H 13.74909078 13.61615033 8.97950046
C 13.58531227 11.50434023 8.71481620
H 12.96759039 11.57948053 7.83495446
C 7.60406723 6.73752882 11.16392819
H 7.77209931 7.61068081 11.77980035
H 8.29889459 5.94211948 11.39730628
H 6.58477019 6.39113579 11.26996020
N 9.40460984 7.68464262 9.26777959
O 12.48966571 8.17565413 10.63012894
H 12.79541052 8.99605846 11.03711686
O 12.98600552 9.38079996 7.19256378
H 12.88467416 8.58713406 6.65649222
O 7.65253187 6.03776324 8.62075857
O 7.00695746 8.35466785 9.16734232
S 7.82947253 7.21105917 9.42204070
|
VAXTIA
| 13.78365
|
C 6.17683089 5.36256658 3.06469206
F 7.45813177 5.85071996 3.06470418
H 5.65596264 7.33785716 3.06469972
H 4.33401765 6.20674009 3.06470355
N 5.32195534 6.38964028 3.06469822
O 5.97060171 4.19997593 3.06470228
|
EWUQUK
| 9.07363
|
S 10.37283181 7.83841271 8.76033682
O 9.79485763 7.17435809 7.62976788
O 11.75550105 7.62372968 9.06688413
N 9.50322600 7.38340843 10.09261531
C 8.05699223 7.37088512 9.97108859
H 7.86058432 7.09633188 8.93002807
C 7.46610081 8.75750262 10.25724000
H 6.42156070 8.64703142 10.56123200
H 7.46745930 9.34471224 9.33377226
C 8.20704908 9.54462389 11.31062356
C 9.35713016 9.12459237 11.83162177
C 9.99005270 7.83459231 11.37011476
H 11.07117712 7.94457175 11.26901184
H 9.80375149 7.04380644 12.11011781
C 7.51648864 10.83098604 11.66269090
H 6.62938700 10.63375783 12.26550712
H 8.15919480 11.51235279 12.20928891
H 7.19181964 11.33047372 10.75075110
C 10.13223015 9.80361362 12.92200540
H 10.40087514 9.07089454 13.68189381
H 9.56945520 10.59880943 13.39859560
H 11.05728200 10.22184574 12.52589003
C 7.52317492 6.26757978 10.85876839
C 7.08425334 6.49892256 12.15536730
H 7.09163562 7.49926216 12.56088376
C 6.64043429 5.44897660 12.94207034
H 6.29992777 5.64351414 13.94881135
C 6.63642184 4.15759913 12.44602960
H 6.28912885 3.34088044 13.06143769
C 7.08408699 3.91733826 11.15735330
H 7.08807281 2.91076278 10.76613134
C 7.52482674 4.96582727 10.37105049
H 7.88136997 4.78265055 9.36818407
C 10.12016857 9.60872737 8.55541045
C 9.18053037 10.05903697 7.64777085
H 8.67268302 9.33833600 7.02579591
C 8.92405838 11.41537736 7.54104748
H 8.19486406 11.78556423 6.83746333
C 9.61630619 12.29952435 8.35731046
C 10.57937216 11.84991160 9.25010034
H 11.11934918 12.55639239 9.86034283
C 10.83265454 10.49269132 9.34153619
H 11.59390489 10.11223814 10.00221089
Cl 9.28236854 13.98769397 8.25004596
|
AFESAG
| 9.66848
|
S 5.76099138 6.58827475 2.37741444
O 8.03828674 6.79509536 0.92346430
O 9.63174669 3.90962128 2.46941901
O 11.68949258 4.31794965 3.27848861
O 9.61361923 5.90091649 4.63317182
O 8.95452199 3.90285163 5.41743352
O 9.37675856 8.11440365 3.11858460
O 9.25343706 8.81463787 5.25347273
C 8.43336481 5.44407826 1.08876994
H 7.54279024 4.82444804 1.28158779
C 9.37084953 5.29482667 2.29672485
H 10.31350054 5.83405171 2.13425901
C 8.69114639 5.85541635 3.55695039
H 7.83916176 5.21666775 3.82834001
C 8.23003867 7.29440156 3.29262981
H 7.65714335 7.66418618 4.15269554
C 7.39963247 7.36112580 2.01255971
H 7.20779960 8.40363233 1.74373790
C 9.10687007 5.00688831 -0.20280052
H 8.40897914 5.10093677 -1.02947679
H 9.42494985 3.97267377 -0.11625424
H 9.96911627 5.63893627 -0.39827092
C 10.79967932 3.54939589 3.02961728
C 10.81420745 2.07338363 3.29655391
H 11.81684125 1.75250579 3.55965463
H 10.44879836 1.53230747 2.42883104
H 10.13520226 1.88434122 4.12718189
C 9.66783366 4.86705299 5.48695189
C 10.74722647 5.09756881 6.50228598
H 10.74156254 4.29497577 7.23323311
H 10.58847667 6.05816986 6.98561449
H 11.70468171 5.12782978 5.98621801
C 9.83302209 8.77304295 4.20529653
C 11.14344296 9.43506936 3.89465758
H 11.38460373 10.15672880 4.66853697
H 11.09530294 9.91401776 2.92090997
H 11.91393055 8.66720798 3.86074919
C 4.72133725 7.35821534 1.15418140
C 3.37964021 7.52747153 1.47255363
H 3.02276713 7.20674918 2.43860861
C 2.52442523 8.10110772 0.55124654
H 1.48214689 8.23297854 0.79981781
C 3.00410859 8.51330474 -0.68195162
H 2.33668395 8.96737486 -1.39870164
C 4.34081325 8.33619230 -0.99381685
H 4.71988972 8.64764636 -1.95586422
C 5.20491263 7.74980434 -0.08464872
H 6.24106624 7.59863657 -0.34361894
|
KIRFUO
| 9.315
|
C 7.03753285 6.02641062 0.90378806
H 6.59527932 5.04212177 0.71707048
H 6.41476580 6.78247090 0.42523673
C 7.12470502 6.27995568 2.42326591
H 7.01212857 7.35377989 2.60897162
C 8.45863648 5.87177046 3.00461974
C 8.68633999 6.10134360 4.35788008
H 7.90100335 6.54699817 4.95150905
C 9.88993562 5.76388724 4.94345273
H 10.04820649 5.94662564 5.99618557
C 10.89226314 5.19008839 4.17795935
H 11.83626582 4.92227657 4.62897879
C 10.68087084 4.96870245 2.83153182
H 11.45947584 4.53036895 2.22320022
C 9.47122438 5.30832219 2.23572113
C 9.27058018 5.10436959 0.75622269
H 10.20646829 5.31107866 0.22356248
C 6.00696317 5.55329669 3.13395617
C 4.97375470 6.25009819 3.74311805
H 4.96621678 7.33098701 3.71253274
C 3.95184868 5.57381174 4.38747316
H 3.15277819 6.12891542 4.85715424
C 3.95346434 4.19126656 4.42980991
H 3.15669953 3.66302229 4.93254207
C 4.98193846 3.48769185 3.82512808
H 4.98948981 2.40783421 3.85455215
C 6.00219541 4.16355279 3.18213487
H 6.80405006 3.61048764 2.71433779
C 8.82878579 3.69765883 0.39136785
C 8.38981298 3.45882932 -0.90671154
H 8.38037729 4.27733645 -1.61030139
C 7.96538453 2.20132186 -1.28973974
H 7.62396848 2.01951841 -2.29692001
C 7.98405012 1.16793032 -0.36527128
C 8.42651167 1.38495794 0.92775396
H 8.44098795 0.57316168 1.63862723
C 8.84693155 2.65088688 1.30157587
H 9.19457785 2.81396055 2.31128637
C 9.48357986 8.34369736 1.29435408
C 10.73681118 8.05252391 1.79676940
H 11.40024749 7.42530405 1.22300968
C 11.11817717 8.58404709 3.01390959
H 12.09227360 8.35347439 3.41941788
C 10.25598335 9.40997293 3.72989683
C 9.01730560 9.72419733 3.18404344
H 8.35058478 10.38705019 3.71669192
C 8.62849214 9.19306252 1.96579606
H 7.67757751 9.43724882 1.51685660
C 10.67174846 9.94501390 5.06454977
H 10.77891841 9.12536771 5.77429514
H 9.93867496 10.64676383 5.45270724
H 11.63442445 10.44770741 4.99134066
Cl 7.45191540 -0.40885053 -0.83293199
N 8.31302420 6.06029846 0.23919443
O 10.07225689 7.26589632 -1.02677036
O 7.83697536 8.28819301 -0.75968422
S 8.92815988 7.54153391 -0.20810918
|
ASAXUP
| 8.23443
|
S 1.51128406 2.88720684 23.07504363
N 6.09139179 3.72754394 18.50598593
N 4.38256595 3.71167497 20.76707044
N 2.42776812 2.89119962 21.70668919
N 10.50383851 3.68214331 11.78633338
H 10.59179854 4.66931525 11.60421294
O 11.13103653 1.60083332 11.18665088
C 7.68373056 3.87939508 15.02552983
H 7.65776622 4.97309124 14.95029519
C 9.12157234 3.44134496 15.31044523
H 9.15110982 2.35386667 15.40222922
H 9.46870598 3.86647147 16.25313166
C 10.06175923 3.87651340 14.19044038
H 10.06483410 4.96795470 14.11785448
H 11.08009091 3.54931375 14.40820876
C 9.60981784 3.28644417 12.85420966
H 9.66434935 2.19381346 12.89357230
C 8.17431852 3.72112856 12.55497979
H 7.84870628 3.28047829 11.61092777
H 8.14410741 4.80942629 12.44930406
C 7.24198367 3.29095710 13.68283112
H 6.22379748 3.61272749 13.45408380
H 7.24006477 2.20146107 13.75358779
C 6.71900047 3.44895705 16.13622474
H 5.69890021 3.53957455 15.75991967
H 6.88839124 2.40143877 16.38863302
C 6.86484970 4.28324387 17.40935510
H 7.91215931 4.27614763 17.71840740
H 6.58393770 5.33144411 17.20240857
C 4.66750759 3.98346287 18.38073622
H 4.32404290 3.61947309 17.41246453
H 4.45166822 5.06590143 18.44613371
C 3.89963226 3.25522055 19.47940161
H 2.83407090 3.47486192 19.41246199
H 4.04021997 2.17146768 19.37056179
C 5.79989319 3.43972380 20.89723588
H 5.98692927 2.36269074 20.76707257
H 6.15824601 3.73498869 21.88112111
C 6.54880530 4.19290742 19.80156246
H 6.38342376 5.27846437 19.93024006
H 7.61865790 3.99088550 19.89249306
C 3.54602096 3.55543597 21.84044736
C 3.74523285 4.16062938 23.13908719
C 4.72747219 5.02104769 23.63424419
H 5.53566854 5.35481023 23.00194820
C 4.63685947 5.47320303 24.93147521
H 5.39354211 6.14014418 25.31755924
C 3.57770015 5.09309059 25.75813015
H 3.53888255 5.45818721 26.77352867
C 2.57242648 4.27980469 25.28466276
H 1.73258424 4.00176568 25.90180233
C 2.65879913 3.83073610 23.97388857
C 11.19526453 2.80008437 11.02761390
C 12.05600986 3.46210670 9.96922090
H 12.57994051 2.69758595 9.40362950
H 12.78251918 4.12264246 10.43759107
H 11.43484336 4.04566678 9.29311983
|
DITYAG
| 9.12044
|
Cl 0.57313998 1.64433310 4.66650336
C 5.05220315 1.27281697 4.92997918
C 4.39435751 2.35186721 5.51889341
C 3.02000239 2.46587867 5.43749039
C 2.28858655 1.49716640 4.76475322
C 2.92199722 0.41518379 4.17116367
C 4.29515627 0.31198227 4.25724111
C 6.52902966 1.07894767 4.96870362
C 7.33287034 2.09957877 5.74805611
C 8.81290834 1.75132555 5.77430610
C 9.22989272 0.56736572 6.66518122
C 10.32794572 1.44041127 7.29068538
C 9.72360297 2.67442514 6.60314573
O 7.04999323 0.14945086 4.39564816
H 4.94739162 3.11476652 6.04313134
H 2.51237219 3.30187184 5.89254700
H 2.34387521 -0.33178220 3.65052756
H 4.81165348 -0.52011791 3.80295809
H 7.19072901 3.07980843 5.28449766
H 6.94391540 2.14890970 6.76810221
H 9.17255175 1.62792228 4.75189376
H 8.45558287 0.28349613 7.37597993
H 9.56047853 -0.32241861 6.13699332
H 10.34885335 1.46876499 8.37808054
H 11.32388396 1.19723203 6.92735869
H 9.16647414 3.30961336 7.29016498
H 10.41495246 3.29390007 6.03601426
|
NOTGEL
| 10.39801
|
S 5.22686325 4.28146379 2.96480532
O 6.40992224 4.72959497 2.31040171
O 4.35681898 3.37720839 2.28728458
N 4.30091273 5.59511448 3.39284417
H 3.37491603 5.26642773 3.62232341
N 5.69416595 3.60507414 4.42125479
C 4.84289911 6.54501522 4.36775733
C 5.39807226 5.79521004 5.59742481
H 5.96846795 6.48683359 6.21698400
H 4.56250070 5.41445117 6.19111721
C 6.32434148 4.62981052 5.22606810
H 7.16703879 4.99093930 4.63552055
H 6.71113247 4.16041382 6.13542844
C 4.69602794 2.78199149 5.05824263
H 3.89689800 3.35818239 5.53983707
H 5.17918298 2.15200266 5.80600040
H 4.26097169 2.15800415 4.28208927
C 3.72617778 7.51080795 4.74742312
C 2.82040079 7.90469341 3.76652771
H 2.91781968 7.49660496 2.77197422
C 1.81015998 8.80396205 4.05235479
H 1.11592549 9.09348900 3.27730192
C 1.69101301 9.33452338 5.32579835
H 0.90340532 10.03803943 5.55134905
C 2.59367325 8.96057141 6.30396050
H 2.51558615 9.37387060 7.29906055
C 3.60447489 8.05725269 6.01843379
H 4.29742116 7.79085776 6.80104660
C 5.94056356 7.36297460 3.67542821
H 6.68599160 6.70610018 3.23939698
H 6.40669282 8.03842382 4.38845757
H 5.49966198 7.94809089 2.87300287
|
YOLWUS
| 7.66272
|
O 14.14981810 -2.65026333 14.44746975
H 14.69742942 -2.15127233 13.80338840
O 16.78487970 -0.07806849 12.87423041
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N 15.71618678 -1.20050131 11.20353735
H 15.64820189 -1.30391183 10.19006211
N 17.12971608 0.13598806 9.33131340
N 17.94876302 0.93962047 8.64342230
N 18.78260762 1.68921335 6.60951286
C 13.28829269 -3.59414514 12.39544062
C 13.33638449 -3.49154672 13.80249055
C 12.49535478 -4.30216941 14.56787146
H 12.54734526 -4.20767239 15.64137506
C 11.63001190 -5.19142271 13.96865024
H 10.98876870 -5.80833492 14.58053324
C 11.57953746 -5.29727979 12.58374999
H 10.90137945 -5.99446448 12.11562130
C 12.40090838 -4.50570065 11.81332558
H 12.36894346 -4.58017182 10.73502163
C 14.12554366 -2.78624102 11.54462137
H 14.02030043 -2.93241452 10.46223030
C 16.61319894 -0.28776778 11.69456476
C 17.33855486 0.40157064 10.61309067
C 18.32052850 1.40361866 10.75370722
H 18.68123405 1.80840430 11.67579553
C 18.69582340 1.73234842 9.47508458
C 19.69167237 2.72479824 9.01462829
H 20.12909934 3.21912576 9.87796141
H 19.22478011 3.46507798 8.36814900
H 20.47626987 2.24018837 8.43679989
C 17.95157570 0.88275758 7.25242168
C 17.09458193 -0.00651080 6.59899027
H 16.44170259 -0.63761004 7.17808797
C 17.12305050 -0.03770062 5.21965141
H 16.47584733 -0.71136667 4.67699235
C 17.99282398 0.80664478 4.54084271
H 18.04182366 0.80962608 3.46373492
C 18.79816072 1.64763799 5.28821869
H 19.49624890 2.32846655 4.81952683
|
WIGYOB
| 8.22899
|
C -0.08197114 5.61009177 5.75665180
C 1.05207810 3.97474041 4.70636296
C 1.80142039 2.87378768 4.35794171
C 2.01794212 2.63662191 2.99650485
C 1.48662227 3.49478741 2.03338713
C 0.73162478 4.60456267 2.38957166
C 0.51793661 4.83920979 3.73060849
C 3.04401312 1.22123246 1.37449942
H 2.12906999 1.02081715 0.80795731
H 3.65085285 0.31723021 1.40627436
H 3.60955935 2.01871631 0.88273964
N 0.66670350 4.47708818 5.92677474
N -0.16777123 5.82341054 4.41110064
O 2.76535714 1.53348228 2.71811513
S -0.74456351 6.52830229 6.93919203
H 0.87850169 4.09300221 6.83207895
H -0.66296782 6.60122120 4.00941785
H 2.21923505 2.20046175 5.08757918
H 1.65611327 3.30665518 0.98583738
H 0.32734346 5.25807858 1.63300477
|
CEPQUK
| 8.33322
|
C 1.21429515 5.60752369 5.35798142
C 0.00681773 6.40169798 5.03279214
C -0.43766172 7.60783677 5.53180550
H 0.12326659 8.13196884 6.28948622
C -1.62715465 8.11961073 5.02106670
H -1.99925246 9.06373794 5.38950186
C -2.34105354 7.43974824 4.04668915
H -3.25962453 7.86314918 3.66919314
C -1.89344400 6.22126590 3.54439146
H -2.44357126 5.68737838 2.78548489
C -0.71390018 5.71571499 4.04922432
C 0.01947718 4.47147697 3.72501101
C 2.19620768 3.51783482 4.46355034
H 1.82157710 2.63149951 3.94329106
H 2.54409357 3.25488075 5.46643903
C 3.33731747 4.14426283 3.65558779
C 5.71589378 3.95404950 3.09794861
H 5.69046880 5.04890144 3.14627356
C 6.93685369 3.40072055 3.83512073
H 7.00657174 2.32943891 3.63694446
H 7.82761351 3.87505150 3.42011544
C 6.83489658 3.66951281 5.30795351
C 7.00158221 4.95289744 5.81736006
H 7.24333105 5.77661347 5.16323714
C 6.85695007 5.15576817 7.18013479
H 6.97847788 6.13990936 7.61243472
C 6.41074351 2.96935424 7.55495431
H 6.17756402 2.20557419 8.28559451
C 6.52864960 2.65640717 6.20944268
H 6.39966535 1.63759384 5.87261388
C 5.71815996 3.51822607 1.61720970
C 4.54231620 3.85948218 -0.47984612
H 5.32685726 3.17704902 -0.82572114
H 4.52597826 4.73439720 -1.13586822
C 3.20507030 3.13747151 -0.61081697
C 1.49025063 2.07392957 0.61442124
H 1.03196170 2.08524027 -0.37523486
H 0.84630739 2.57432957 1.33705641
H 1.67720021 1.04438800 0.92244998
N 1.11954519 4.46409753 4.56683081
N 4.49526078 3.47229173 3.72431872
N 6.56841170 4.18937435 8.03439415
N 4.85898716 4.23766532 0.87126324
O 2.10495357 5.82380287 6.13643075
O -0.24250182 3.60044524 2.93233878
O 3.19048646 5.16660085 3.01346047
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O 2.73537187 2.76901439 0.57879747
H 4.21626746 4.86192295 1.34922844
H 4.55090842 2.60119756 4.22793589
|
AZEHOD
| 8.97703
|
O -0.73957567 2.08487884 8.21134083
O 0.76773390 -0.80015217 4.93392589
N -0.25339785 1.60505415 7.17622529
N 0.72943241 1.48598561 5.13574785
C 0.28420872 2.46963786 6.09420827
C 0.49422088 0.20304517 5.55447354
C -0.12760874 0.35047522 6.86179099
C 1.31784505 1.78254027 3.85934097
C 1.45186140 3.31671949 6.62233560
C 0.98725831 4.41241059 7.57683907
C -0.05433369 5.29856075 6.90283743
C -1.25565347 4.45214978 6.49703161
C -0.82989197 3.35923121 5.52169414
H -0.45338613 -0.44419529 7.50601314
H 1.56569964 0.82387479 3.40422355
H 2.22925210 2.37280001 3.96995350
H 0.61868134 2.31378030 3.20978509
H 2.17281640 2.65826305 7.11241119
H 1.94065970 3.77397273 5.75904759
H 0.54864280 3.95816883 8.46584921
H 1.85140947 5.00313326 7.88477337
H -0.37140907 6.08334280 7.59025599
H 0.37897165 5.77730370 6.02044224
H -1.68915817 3.99665135 7.38798462
H -2.01877086 5.07165445 6.02322780
H -1.68125487 2.73025048 5.25129852
H -0.44375329 3.82086277 4.61004271
|
WOGTES
| 7.32177
|
C -4.03840720 3.17605934 1.46648013
C -5.06630024 3.21545647 2.40958474
H -5.06608135 3.98141386 3.16966410
C -6.11485434 2.31627177 2.34200836
H -6.90825936 2.36409017 3.07376433
C -6.15308741 1.35973355 1.34172261
H -6.96966216 0.65429822 1.29701055
C -5.14729706 1.32135281 0.38894147
H -5.17938770 0.58546515 -0.40123281
C -4.10811402 2.22872162 0.44194494
H -3.32550118 2.20077276 -0.30256540
C -2.91397018 4.09694962 1.49007771
C -2.23447539 4.55746116 2.55260066
C -1.11030702 5.49312853 2.31042011
C 0.81453632 6.63980434 3.35912184
H 0.87331885 7.19761701 2.43753803
C 1.72294424 6.79605265 4.38859903
C 1.58793810 6.00173504 5.53570086
H 2.31104000 6.12290374 6.32692235
C 0.55981984 5.09702106 5.65304674
H 0.45507969 4.48598981 6.53572854
C -2.51601969 4.20484157 3.98386783
H -3.13890406 4.99933024 4.43051847
H -3.05257946 3.25538656 4.05787095
C -0.23301412 5.71939020 3.46723936
C -0.37463986 4.95251560 4.62663572
C 2.95988116 8.47131516 3.24699617
H 3.13968905 7.86467668 2.35428621
H 3.84084263 9.07578816 3.45716931
H 2.10197765 9.12765613 3.07133298
O -0.90790911 5.99852780 1.21967012
O -1.36515267 4.04281482 4.79438371
O 2.76890302 7.66721179 4.38707388
H -2.55604697 4.42844661 0.52127640
|
CILVEA
| 6.8804
|
S 4.04595770 3.28468371 2.13183298
O 3.70786292 1.30887415 9.89615238
N 3.89625266 3.79769357 4.98707602
C 3.90637801 5.13184196 4.79361847
N 3.96326038 8.22423573 3.23921172
C 3.85972519 5.95996503 5.95804192
H 3.86530516 7.02987924 5.81903662
N 4.07239815 5.66266837 1.12640692
H 4.06657703 6.66964830 1.12857699
H 4.11956884 5.16483877 0.25371373
C 3.81117773 5.41279595 7.19584099
H 3.77675240 6.04272690 8.07249934
C 3.80503776 3.99715920 7.37065239
C 3.75682892 3.38458095 8.62969733
H 3.72405180 4.01766313 9.50238925
C 3.75240900 2.00719070 8.73312386
C 3.79681019 1.22363707 7.56352949
H 3.79239398 0.15131502 7.67579434
C 3.84420165 1.80514720 6.32432983
H 3.87835001 1.20060371 5.43100319
C 3.84930381 3.20094489 6.20753031
C 3.96206085 5.68291332 3.50359678
C 4.02425934 4.95542373 2.27224063
C 3.96129347 7.08253490 3.38865642
C 3.66085809 2.02150238 11.10929055
H 3.62959311 1.26566868 11.89241716
H 2.76454440 2.64632401 11.17362619
H 4.55048621 2.64479941 11.24366809
H 3.92560124 3.22584003 4.11524612
|
DASQET
| 7.9675
|
C 2.09614283 -10.17903904 -9.31985260
C 4.70074152 -8.67631982 -12.30085167
C 3.83089864 -9.22077269 -11.26586231
O 6.69534300 -7.47771743 -13.87975984
C 4.17907940 -10.32736910 -10.48651262
O 1.54179240 -11.65926662 -7.68747684
C 6.14769426 -8.50249231 -14.21632015
C 3.32073905 -10.80580206 -9.51876285
N 1.19436384 -10.68272144 -8.31894812
C 5.47972513 -10.82881487 -13.39455200
C 7.01320846 -8.13985015 -16.55706328
C 5.40568762 -9.33855171 -13.22855828
C 5.23786266 -11.19341854 -14.86399392
C 6.20671415 -10.47559851 -15.79357701
O 0.13994038 -10.10187921 -8.16604953
C 2.60697319 -8.58579493 -11.02448137
C 6.84479858 -11.32916466 -12.90688796
C 6.06209408 -8.95806106 -15.66295639
C 1.73796548 -9.06189559 -10.06802570
C 8.48028166 -8.49518511 -16.32793047
C 6.65282000 -8.28010754 -18.03382787
H 7.65377159 -10.79732342 -13.39996328
H 8.72773612 -8.42880420 -15.27119748
H 3.58133841 -11.65696783 -8.90816903
H 2.33924018 -7.71864107 -11.60934094
H 4.21188212 -10.92506417 -15.12891563
H 7.22755545 -10.77647984 -15.56283156
H 5.14318108 -10.79099780 -10.61519581
H 5.60837184 -8.02914297 -18.20606198
H 4.71398711 -7.59335746 -12.35461986
H 6.87792279 -7.09167511 -16.26838704
H 4.69715399 -11.30324323 -12.79350082
H 5.34132662 -12.27361141 -14.98484820
H 0.78670607 -8.58732398 -9.88117815
H 5.99906523 -10.76701946 -16.82426943
H 5.03255579 -8.70121819 -15.95603168
H 7.26681230 -7.60962494 -18.63032980
H 6.95304973 -11.16595603 -11.83676494
H 8.70588481 -9.49695646 -16.68625838
H 9.11561368 -7.79523295 -16.86551095
H 6.94818089 -12.39305582 -13.10540703
H 6.82839786 -9.29468124 -18.38496723
|
EPAJEL
| 8.39281
|
C 0.14121161 3.02643832 5.25390181
C -0.03495308 2.13440196 4.21775564
H -0.07925006 2.45581540 3.19089805
C -0.15757132 0.79249156 4.54906901
H -0.29618769 0.06966245 3.75937502
C -0.10726856 0.36099594 5.86820911
H -0.20621228 -0.69262138 6.08210785
C 0.06471265 1.25356698 6.91165349
H 0.10172980 0.92679633 7.93748928
C 0.18819959 2.59691822 6.59813047
C 0.41797722 4.72239914 6.68633147
C 0.80180945 6.28967934 8.49219208
H 0.57147333 5.40482833 9.08044749
H 0.17203766 7.11998065 8.81287861
H 1.85031738 6.56138854 8.64035225
C 0.38453143 5.33559385 4.28909420
C 0.34049368 5.50170067 1.92391041
C 1.10432913 5.00315902 0.87711586
H 1.67054697 4.09663188 1.02122791
C 1.12473234 5.67607029 -0.33019113
H 1.71691030 5.29169286 -1.14627887
C 0.39183656 6.84107552 -0.48947876
H 0.41250386 7.36785429 -1.43108313
C -0.36905950 7.32700079 0.55910652
H -0.94384423 8.23199471 0.43611945
C -0.40557811 6.65920806 1.77194447
H -1.00102820 7.03746086 2.58655534
N 0.36209552 3.67153023 7.44252287
N 0.53081783 5.98458663 7.11070257
N 0.29464943 4.42236009 5.30438947
O 0.52959548 6.52303729 4.46920851
O 0.31944820 4.74209323 3.09135725
H 0.66399363 6.69710797 6.40408540
|
LARZIQ
| 9.98168
|
C 3.74472860 2.41689971 9.31332520
C 2.44818567 2.71440041 8.89155557
O 2.18061057 2.73464299 7.52616270
C 1.58572301 1.54730424 7.04633692
H 2.23987463 0.68126941 7.19838043
H 1.42488725 1.69549860 5.97979994
H 0.62700013 1.34704341 7.53574132
C 1.44113456 3.03204210 9.80170214
C 0.08140431 3.44077826 9.31852065
H 0.10008101 3.61533708 8.24639760
H -0.23372280 4.35907773 9.81035227
H -0.65962568 2.67271041 9.54269771
C 1.72120973 2.98268458 11.16721431
C 0.65759908 3.31129504 12.17134371
H 1.06056804 3.25896567 13.17832509
H -0.18278376 2.62352096 12.08263249
H 0.28198230 4.32058467 12.00787888
C 3.00591127 2.64321894 11.58927314
O 3.27556854 2.58221342 12.95289487
C 3.13380654 1.28483726 13.49131729
H 2.11019662 0.91271802 13.37042166
H 3.36784133 1.36657295 14.55160171
H 3.82082835 0.57569652 13.01797566
C 4.03355541 2.39915844 10.67621552
C 5.42287694 2.13072418 11.17914360
H 5.47876250 2.35422942 12.24115768
H 6.14681844 2.75496144 10.66057730
H 5.70031898 1.08784796 11.02374678
C 4.80681928 2.17756286 8.27546956
H 4.39620369 1.60916451 7.44098378
H 5.63786144 1.60682550 8.68608157
C 5.32167186 3.51178601 7.73017283
H 4.50620031 4.05663371 7.25079937
H 5.70455053 4.14178243 8.53616770
C 6.42398779 3.31193205 6.72066734
O 6.89340864 2.25591240 6.38895475
O 6.84277087 4.48993729 6.23265436
C 7.88638222 4.43318242 5.27001459
H 8.77821655 3.97608321 5.70398946
H 8.08774146 5.45994069 4.97667187
H 7.57394379 3.84122309 4.40728071
|
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in Data Studio
About the FORMED dataset
The FORMED dataset combines top-down mining of 117K synthesized molecules with a bottom-up fragment assembly strategy, uniting two key approaches in molecular design. Each molecule includes optimized 3D structures and electronic properties, and this hybrid framework facilitates rapid prediction of ground and excited-state properties across p-block organic compounds.
Dataset curation and model development
The BIOINF595 final project aimed to predict the HOMO-LUMO gap, a key electronic property, using 3D molecular structures from the FORMED dataset. Detailed procedures are provided in the following files and scripts.
FORMED repository structure
raw
- XYZ_FORMED.tar.gz : xyz files representing 3D coordinates of each molecule
- formed.csv : molecules with molecular property columns
formed (curated version of the raw dataset)
- formed_xyz_test.csv : name, HOMO-LUMO gap, xyz
- formed_xyz_train.csv : name, HOMO-LUMO gap, xyz
scripts
- st1_download_datasets.py
- st2_dataset_curation.py
- st3_random_split.py
- st4_model_training.py
- st5_huggingface_upload.py
model results
- unimol_predictions_GradientBoosting.csv
- unimol_predictions_RandomForest.csv
- unimol_predictions_UniMol.csv
- unimol_model_scores.csv : Comparison among three models
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