| 32 | |
| -46.91371210 | |
| O -1.6955334866 -1.2085533992 -1.2290548217 | |
| C -2.0834021749 -0.9005410445 -0.0109341002 | |
| O -1.5756852668 -1.3661661278 0.9897380994 | |
| C -3.1838923923 0.1254524975 0.0253000034 | |
| C -2.6161866898 1.5034871138 -0.3601593329 | |
| C -1.3864327868 1.9008584502 0.4722383996 | |
| C -0.0682708405 1.7010263463 -0.2819935057 | |
| C 1.1360024196 1.8186043872 0.6509112651 | |
| C 2.4860102227 1.8001867562 -0.0695569572 | |
| C 2.8192253668 0.5283382056 -0.8534254545 | |
| C 2.8767372608 -0.7463130377 0.0061227473 | |
| C 1.5058298552 -1.3611842101 0.1226794659 | |
| O 0.8759635427 -1.7523208643 -0.8402607429 | |
| O 1.0482991803 -1.4154684976 1.3533636892 | |
| H 0.0812440902 -1.6482693869 1.3694993623 | |
| H 3.5218168447 -1.4761068612 -0.4862938679 | |
| H 3.2667268032 -0.5325272570 1.0003635230 | |
| H 3.7966225405 0.6755054526 -1.3174081832 | |
| H 2.0968166186 0.3761604827 -1.6568269405 | |
| H 2.5208790441 2.6399693349 -0.7685881683 | |
| H 3.2702481904 1.9620018746 0.6746114554 | |
| H 1.1008922755 1.0175855401 1.3900431491 | |
| H 1.0622550301 2.7636305663 1.1960433112 | |
| H -0.0653256279 0.7228329590 -0.7610597059 | |
| H 0.0090391362 2.4509943667 -1.0734998002 | |
| H -1.3664690529 1.3117684542 1.3916135016 | |
| H -1.4621711804 2.9503248046 0.7639182390 | |
| H -3.4135149658 2.2357692193 -0.2244266894 | |
| H -2.3511941769 1.4927617996 -1.4185999822 | |
| H -3.9635512978 -0.1558509112 -0.6827104885 | |
| H -3.5955466760 0.1577657173 1.0342580864 | |
| H -0.8311174315 -1.6971268799 -1.2160530716 | |
| 32 | |
| -46.91346834 | |
| O -1.0914720523 -1.5680519973 1.1133540708 | |
| C -1.5677364715 -1.3315381080 -0.0887516296 | |
| O -0.9772193612 -1.6257814694 -1.1099567390 | |
| C -2.9132142610 -0.6552760069 -0.0613753109 | |
| C -2.8546081603 0.6839128138 0.6915329978 | |
| C -2.3815157989 1.8646013626 -0.1591919830 | |
| C -0.9598996487 1.7737705909 -0.7183806723 | |
| C 0.1304743207 1.6831975710 0.3498646084 | |
| C 1.5232425012 1.9342122193 -0.2420667012 | |
| C 2.6548879403 1.3646975092 0.6266760199 | |
| C 3.1820872295 0.0094319183 0.1160204015 | |
| C 2.0303351288 -0.9451006109 -0.0509207582 | |
| O 1.5379656878 -1.5773071896 0.8635119422 | |
| O 1.5825602494 -0.9873864517 -1.2849015384 | |
| H 0.7027480590 -1.4503576710 -1.3540160284 | |
| H 3.6672580201 0.1436751970 -0.8504314084 | |
| H 3.8909909688 -0.3979868216 0.8367891822 | |
| H 2.3040802397 1.2452194605 1.6532760699 | |
| H 3.4990817409 2.0557926186 0.6433045097 | |
| H 1.5764320414 1.4876702783 -1.2367542007 | |
| H 1.6604955022 3.0101113191 -0.3651051921 | |
| H 0.1057735697 0.7000852115 0.8189151093 | |
| H -0.0639468991 2.4190573619 1.1342381276 | |
| H -0.8805065590 0.9183342402 -1.3905930314 | |
| H -0.7839756476 2.6719206302 -1.3165878330 | |
| H -2.4562877284 2.7661340432 0.4547550761 | |
| H -3.0699793783 1.9843436324 -0.9998044235 | |
| H -2.2164976208 0.5696047141 1.5682136283 | |
| H -3.8606294802 0.9178307050 1.0463860571 | |
| H -3.2635297203 -0.5139798475 -1.0838589512 | |
| H -3.5991701518 -1.3239079658 0.4620836194 | |
| H -0.1338958625 -1.8450130281 1.0920424416 | |
| 32 | |
| -46.91294631 | |
| O -1.5686848949 -1.3656869004 1.0734673153 | |
| C -1.8754115260 -1.0985777681 -0.1772763369 | |
| O -1.2872176849 -1.5873202248 -1.1226627611 | |
| C -3.0211893482 -0.1281964402 -0.3199492202 | |
| C -2.8293165390 1.1231987729 0.5485584216 | |
| C -1.7392538686 2.0742930308 0.0469512889 | |
| C -0.3590997228 1.4230686839 -0.0240484392 | |
| C 0.7742835895 2.4258621570 -0.2333280492 | |
| C 2.1055351611 1.7331848753 -0.5417290937 | |
| C 2.6869995760 0.9394002596 0.6411790278 | |
| C 3.0130276940 -0.5247812808 0.2904632590 | |
| C 1.7258621181 -1.2750226266 0.0691204813 | |
| O 1.0606853714 -1.7400582479 0.9724750820 | |
| O 1.3681719707 -1.3351081040 -1.1954723505 | |
| H 0.4392236001 -1.6731877894 -1.3020175325 | |
| H 3.6225511045 -0.5680847847 -0.6111807674 | |
| H 3.5454303375 -0.9838587760 1.1239051849 | |
| H 1.9891673687 0.9432957174 1.4797122179 | |
| H 3.6082803881 1.4108803045 0.9863709626 | |
| H 1.9525904555 1.0640323326 -1.3903266837 | |
| H 2.8257572603 2.4909528810 -0.8558493203 | |
| H 0.8812512611 3.0575557550 0.6515019026 | |
| H 0.5204299669 3.0749828126 -1.0747756534 | |
| H -0.1834043773 0.8668408230 0.8985594627 | |
| H -0.3434190646 0.7233175461 -0.8594975640 | |
| H -1.6983888246 2.9287924858 0.7271723464 | |
| H -2.0106521309 2.4527323125 -0.9414169359 | |
| H -2.5930230537 0.8053229095 1.5653338145 | |
| H -3.7761405344 1.6664629482 0.5777960240 | |
| H -3.1240847691 0.1350058091 -1.3732716475 | |
| H -3.9286749334 -0.6436406266 0.0022068213 | |
| H -0.6851973018 -1.8129305521 1.1422052724 | |
| 32 | |
| -46.91279254 | |
| O -1.3904413905 -1.4200487004 1.3142417672 | |
| C -1.7912033887 -1.1772664232 0.0837811596 | |
| O -1.2330248610 -1.6213003179 -0.8985624312 | |
| C -2.9931503035 -0.2749367511 0.0071880005 | |
| C -2.6197740562 1.0555471127 -0.6681139619 | |
| C -1.9152941526 2.0555259857 0.2524369591 | |
| C -0.4564357269 1.7513768391 0.6064679228 | |
| C 0.4761639282 1.7510557758 -0.6074457599 | |
| C 1.9365411171 2.0461812202 -0.2522960416 | |
| C 2.6353537177 1.0374012807 0.6628022670 | |
| C 2.9884491965 -0.2963343556 -0.0165086313 | |
| C 1.7771989883 -1.1872639093 -0.0818917670 | |
| O 1.2159630122 -1.6154374411 0.9057100938 | |
| O 1.3732733960 -1.4400263850 -1.3092991495 | |
| H 0.4637371744 -1.8343333333 -1.3102522132 | |
| H 3.3710549997 -0.1310362468 -1.0230093441 | |
| H 3.7454471496 -0.8051507779 0.5827835649 | |
| H 2.0215827870 0.8339893826 1.5413050767 | |
| H 3.5668505688 1.4914938981 1.0075381917 | |
| H 2.5087281792 2.1282923022 -1.1799720746 | |
| H 1.9737058684 3.0219962413 0.2398899543 | |
| H 0.1476802877 2.5328159702 -1.2981618910 | |
| H 0.4071451488 0.8032601733 -1.1391449429 | |
| H -0.1238766565 2.5291614954 1.2997142119 | |
| H -0.3919714262 0.8016143086 1.1350361567 | |
| H -2.4871808993 2.1363447272 1.1803825618 | |
| H -1.9468947038 3.0339492384 -0.2349374736 | |
| H -3.5439923200 1.5203562283 -1.0181710031 | |
| H -2.0030004174 0.8461928398 -1.5431141027 | |
| H -3.7492013882 -0.7754354530 -0.6001492826 | |
| H -3.3838049504 -0.1056644087 1.0099078983 | |
| H -0.4836899507 -1.8203538127 1.3202628181 | |
| 32 | |
| -46.91256647 | |
| O -1.2038629029 -1.0721030986 1.3877480999 | |
| C -1.6992615804 -1.2924041399 0.1897329855 | |
| O -1.1338693066 -1.9616321212 -0.6519612439 | |
| C -3.0064770492 -0.5907297999 -0.0668878637 | |
| C -2.7183313465 0.7682386010 -0.7347198230 | |
| C -2.1749916058 1.8300618726 0.2375050623 | |
| C -0.8234148472 2.4266923551 -0.1697015030 | |
| C 0.3229505232 1.4443451981 0.0592849161 | |
| C 1.7062592692 2.0449678666 -0.1870679860 | |
| C 2.8373687249 1.2027211551 0.4098234805 | |
| C 3.0605389886 -0.1421970974 -0.2935917803 | |
| C 1.9009422484 -1.0807293367 -0.0736024851 | |
| O 1.4380072137 -1.3410628217 1.0186095636 | |
| O 1.4313004688 -1.5839773678 -1.1962442768 | |
| H 0.5613227150 -2.0423663515 -1.0563576132 | |
| H 3.1987159180 -0.0057505063 -1.3661251966 | |
| H 3.9548012873 -0.6117321582 0.1220080057 | |
| H 2.6249987247 1.0112870631 1.4635699770 | |
| H 3.7672074767 1.7720373063 0.3503572139 | |
| H 1.8701230763 2.1763391865 -1.2589707742 | |
| H 1.7462874900 3.0342494454 0.2759450198 | |
| H 0.1801954473 0.5855011751 -0.5960090313 | |
| H 0.2740849180 1.0979913294 1.0938334105 | |
| H -0.8525817196 2.7337963032 -1.2174814661 | |
| H -0.6454175013 3.3215119577 0.4316411423 | |
| H -2.0670523304 1.3934271753 1.2319224769 | |
| H -2.9001600068 2.6419410894 0.3183598069 | |
| H -3.6500583522 1.1216307724 -1.1788029876 | |
| H -2.0139667437 0.6073623908 -1.5529834023 | |
| H -3.5993415759 -1.2055391450 -0.7446382903 | |
| H -3.5430802062 -0.4452812990 0.8694506916 | |
| H -0.2607268417 -1.3787754608 1.4525606480 | |
| 32 | |
| -46.91205766 | |
| O -0.9664154868 -1.5303376684 -1.2851991797 | |
| C -1.4935098538 -1.5288774639 -0.0805746957 | |
| O -0.9147142946 -1.9500849972 0.9009054131 | |
| C -2.8607737138 -0.8944556655 -0.0412211618 | |
| C -2.7091551540 0.6069007972 -0.3322026861 | |
| C -1.9332222856 1.3345440732 0.7712335915 | |
| C -1.2425309327 2.6070231704 0.2709473611 | |
| C 0.0125001001 2.3289211992 -0.5624580398 | |
| C 1.2035120054 1.8842477799 0.2883042007 | |
| C 2.3712679683 1.3669676254 -0.5655597713 | |
| C 3.0718765813 0.1528445376 0.0698379279 | |
| C 2.0618121646 -0.9645061997 0.1156992064 | |
| O 1.6581406259 -1.5405880373 -0.8742422859 | |
| O 1.5963589091 -1.1955996291 1.3245259299 | |
| H 0.7768086321 -1.7578135913 1.3040766294 | |
| H 3.9169349453 -0.1455450637 -0.5506967542 | |
| H 3.4100315200 0.3823415504 1.0791963499 | |
| H 3.1059514661 2.1572354069 -0.7234578952 | |
| H 2.0010886910 1.0595579712 -1.5461163621 | |
| H 1.5365252879 2.7174324876 0.9100355704 | |
| H 0.8758249133 1.0965040238 0.9667198254 | |
| H 0.2849052738 3.2314263054 -1.1140451217 | |
| H -0.2076088116 1.5519627382 -1.2974745183 | |
| H -1.9537427897 3.1788608030 -0.3293027905 | |
| H -0.9642911927 3.2236473430 1.1281864492 | |
| H -1.1851740760 0.6639242796 1.1953101133 | |
| H -2.6205247829 1.5933651689 1.5791012330 | |
| H -3.7001427231 1.0508824694 -0.4403394641 | |
| H -2.1932656888 0.7147014705 -1.2873124137 | |
| H -3.4847454430 -1.3530520157 -0.8087697474 | |
| H -3.3037793478 -1.0564012361 0.9411822286 | |
| H -0.0032135127 -1.7767477497 -1.2673744949 | |
| 32 | |
| -46.91188129 | |
| O -1.3832641775 -1.2561621557 -1.2104499717 | |
| C -1.7876941191 -1.2333085901 0.0388537836 | |
| O -1.1955528628 -1.7893017729 0.9427961492 | |
| C -3.0380506015 -0.4165858529 0.2492386463 | |
| C -2.8035334574 1.0267385830 -0.2179378536 | |
| C -1.5980959234 1.6894117269 0.4755951905 | |
| C -0.5483134147 2.1663977288 -0.5307652568 | |
| C 0.7092740218 2.7327241228 0.1362711305 | |
| C 1.6640853425 1.6486334990 0.6443462940 | |
| C 2.4869957342 1.0201308116 -0.4846766275 | |
| C 3.0151174548 -0.3789975214 -0.1216674682 | |
| C 1.8196601656 -1.2916904527 -0.0487830520 | |
| O 1.2257864082 -1.6874608735 -1.0322551403 | |
| O 1.4315045270 -1.5477239013 1.1807252299 | |
| H 0.5172725806 -1.9380388129 1.2031984610 | |
| H 3.6902990940 -0.7280077025 -0.9028166741 | |
| H 3.5265445772 -0.3613606640 0.8394606047 | |
| H 3.3320036695 1.6675325984 -0.7250732885 | |
| H 1.8768745673 0.9262823501 -1.3852511799 | |
| H 2.3452318050 2.0810108206 1.3800862720 | |
| H 1.0868032285 0.8798091431 1.1582436383 | |
| H 0.4064063387 3.3670258031 0.9720435012 | |
| H 1.2439179755 3.3636209284 -0.5773114883 | |
| H -0.2745133894 1.3346428946 -1.1827047281 | |
| H -0.9969897726 2.9398894362 -1.1584505625 | |
| H -1.1407715292 0.9808014391 1.1680988576 | |
| H -1.9303190606 2.5434094387 1.0689650537 | |
| H -3.7126246865 1.5988173614 -0.0291177862 | |
| H -2.6397035372 1.0138121299 -1.2963999134 | |
| H -3.8489997101 -0.8599277211 -0.3308945871 | |
| H -3.2958094854 -0.4473823438 1.3082606545 | |
| H -0.4713569306 -1.6454332689 -1.2924327244 | |
| 32 | |
| -46.91182350 | |
| O -1.2934524683 -1.4303511213 -1.3313335887 | |
| C -1.7575246383 -1.3023955907 -0.1028562887 | |
| O -1.2947876979 -1.9018842499 0.8443179816 | |
| C -2.8626514588 -0.2822844113 -0.0016416092 | |
| C -2.2516868896 1.1150953389 -0.2028296802 | |
| C -1.2371798296 1.4439717302 0.8926911895 | |
| C -0.4267853203 2.7165023404 0.6384631386 | |
| C 0.4239246195 2.7168356701 -0.6387885715 | |
| C 1.2363474102 1.4454401603 -0.8922855808 | |
| C 2.2496437205 1.1171808616 0.2045352193 | |
| C 2.8629835812 -0.2792618182 0.0038232201 | |
| C 1.7589632117 -1.3008020188 0.1022992809 | |
| O 1.2968485820 -1.8982707696 -0.8464534987 | |
| O 1.2949701219 -1.4324536782 1.3304165210 | |
| H 0.4442153022 -1.9348109587 1.3421359315 | |
| H 3.3331298911 -0.3554971586 -0.9763983799 | |
| H 3.5981597914 -0.4711578073 0.7853168202 | |
| H 1.7694281706 1.1416853519 1.1830319193 | |
| H 3.0484972201 1.8610054620 0.2027010687 | |
| H 0.5525955106 0.6066287599 -1.0198379102 | |
| H 1.7698754700 1.5626251000 -1.8389041509 | |
| H 1.1032882491 3.5713439205 -0.5893223921 | |
| H -0.2268827907 2.8738420492 -1.5016115915 | |
| H -1.1074641408 3.5699418500 0.5886440381 | |
| H 0.2238757697 2.8749415313 1.5011303784 | |
| H -0.5522875492 0.6058543906 1.0188171499 | |
| H -1.7694030296 1.5601679005 1.8401734695 | |
| H -3.0515392200 1.8578503685 -0.1993257606 | |
| H -1.7729560997 1.1407570186 -1.1820468703 | |
| H -3.5991648788 -0.4747685122 -0.7817307290 | |
| H -3.3307604787 -0.3598455909 0.9794642409 | |
| H -0.4421554681 -1.9317055808 -1.3444207884 | |
| 32 | |
| -46.91178619 | |
| O -1.7270117285 -1.2073088828 -1.1662593676 | |
| C -2.0536857785 -0.9607022330 0.0831370736 | |
| O -1.5594578031 -1.5439301971 1.0276333682 | |
| C -3.0477498492 0.1655070471 0.2232963305 | |
| C -2.3991240053 1.4461290927 -0.3250588260 | |
| C -1.1124891833 1.8123473367 0.4299279299 | |
| C -0.0578384672 2.4194978243 -0.4953778873 | |
| C 1.2912161867 2.6602533996 0.1886601510 | |
| C 2.0281824399 1.3840358013 0.6063796025 | |
| C 2.5631216004 0.5735822012 -0.5772580459 | |
| C 2.8270629119 -0.8974252305 -0.2061164082 | |
| C 1.4898793573 -1.5706677098 -0.0380252693 | |
| O 0.8167065218 -1.9605116040 -0.9702486625 | |
| O 1.0896758310 -1.6289032402 1.2145235498 | |
| H 0.1313834665 -1.8815672114 1.2844308284 | |
| H 3.3712481635 -1.3858782810 -1.0142814265 | |
| H 3.3930189125 -0.9605063079 0.7221425070 | |
| H 3.4922655991 1.0194813581 -0.9362847689 | |
| H 1.8501907127 0.5898452471 -1.4032135407 | |
| H 2.8665198589 1.6603227510 1.2498618665 | |
| H 1.3621313081 0.7647668407 1.2065596560 | |
| H 1.1264838166 3.2722630390 1.0783334304 | |
| H 1.9308839301 3.2298690765 -0.4898255048 | |
| H 0.0811730749 1.7572834360 -1.3523153745 | |
| H -0.4286491485 3.3726030935 -0.8799324408 | |
| H -0.7031168375 0.9129703261 0.8896221397 | |
| H -1.3363398071 2.5102772768 1.2388103440 | |
| H -3.1185362673 2.2640265603 -0.2709937086 | |
| H -2.1664070778 1.2771744759 -1.3780553297 | |
| H -3.9414151840 -0.0693426495 -0.3556391829 | |
| H -3.3110136350 0.2768182348 1.2750291942 | |
| H -0.9081352745 -1.7648770506 -1.2252764072 | |
| 32 | |
| -46.91139729 | |
| O -1.4894360183 -1.3367125825 -1.1718696309 | |
| C -1.8553669989 -1.1200163723 0.0700757889 | |
| O -1.1763345390 -1.4282462613 1.0304962392 | |
| C -3.1847882796 -0.4230648435 0.1982690181 | |
| C -3.0659297008 1.0508537364 -0.2310532624 | |
| C -1.8963294818 1.7754887378 0.4519235777 | |
| C -0.6309579915 1.8114036486 -0.4170983519 | |
| C 0.6494894782 1.8175147102 0.4158340286 | |
| C 1.9149812886 1.7699518410 -0.4530500109 | |
| C 3.0777802990 1.0331193724 0.2283127998 | |
| C 3.1793065805 -0.4425371777 -0.1993088496 | |
| C 1.8433337211 -1.1265661689 -0.0687039798 | |
| O 1.1622424418 -1.4334932499 -1.0280995399 | |
| O 1.4749254909 -1.3346190888 1.1739076902 | |
| H 0.5128030311 -1.5942237596 1.2275420199 | |
| H 3.4938757310 -0.5069987478 -1.2414134795 | |
| H 3.9045983108 -0.9534525168 0.4345910309 | |
| H 2.9587268386 1.0858722427 1.3114122197 | |
| H 4.0248675686 1.5119287232 -0.0258325501 | |
| H 1.6873989994 1.2698898704 -1.3968593108 | |
| H 2.2183934177 2.7894523312 -0.6965024212 | |
| H 0.6266215388 0.9526281904 1.0798867989 | |
| H 0.6729130371 2.7060036104 1.0507063782 | |
| H -0.6075946704 0.9373034684 -1.0688983415 | |
| H -0.6551094321 2.6909838183 -1.0642943822 | |
| H -1.6734238416 1.2719454584 1.3950193080 | |
| H -2.1892441528 2.7977934976 0.6966033472 | |
| H -4.0082069614 1.5406056256 0.0198825670 | |
| H -2.9434170105 1.1004990161 -1.3139303124 | |
| H -3.9146147589 -0.9268559745 -0.4360604819 | |
| H -3.5013137299 -0.4827178934 1.2400543680 | |
| H -0.5288423780 -1.6014698916 -1.2251122205 | |
| 32 | |
| -46.91070067 | |
| O -1.2050726804 -1.5798093509 -1.2483341498 | |
| C -1.7839966955 -1.2686904737 -0.1055809535 | |
| O -1.3918813369 -1.6764581270 0.9680977573 | |
| C -2.9179101812 -0.2917980797 -0.2726403282 | |
| C -2.3110601775 1.1025963191 -0.5138083208 | |
| C -1.5686814300 1.6298921976 0.7190796112 | |
| C -0.5487096197 2.7363605617 0.4061741620 | |
| C 0.8956079636 2.2296395861 0.3281856016 | |
| C 1.1680164019 1.3757231129 -0.9081472242 | |
| C 2.5778235643 0.7799973434 -0.9599454631 | |
| C 2.8777601264 -0.2018195594 0.1857785475 | |
| C 1.7286419298 -1.1660441548 0.3404484835 | |
| O 1.3503500420 -1.9218963731 -0.5295750061 | |
| O 1.1375989027 -1.0652794992 1.5144098587 | |
| H 0.2817679661 -1.5634019239 1.5384847800 | |
| H 3.7841079724 -0.7603109806 -0.0521230452 | |
| H 3.0196822633 0.3233703097 1.1290638115 | |
| H 3.3207729399 1.5792621251 -0.9357858223 | |
| H 2.6830268971 0.2455521898 -1.9059659736 | |
| H 0.4489107626 0.5588863370 -0.9548634084 | |
| H 1.0223449156 1.9899017826 -1.8006143186 | |
| H 1.1047611475 1.6531464129 1.2305002276 | |
| H 1.5723661308 3.0880114285 0.3178353987 | |
| H -0.8155480922 3.2324399515 -0.5293297455 | |
| H -0.5922832046 3.4886937981 1.1961241225 | |
| H -1.0507553821 0.8085965181 1.2161194263 | |
| H -2.3097452066 2.0068203167 1.4267365923 | |
| H -3.1142550957 1.7929884529 -0.7783550617 | |
| H -1.6373268070 1.0411452592 -1.3691620116 | |
| H -3.5171336038 -0.5827303485 -1.1349834936 | |
| H -3.5312646894 -0.2894896684 0.6278829565 | |
| H -0.3392168254 -2.0389352652 -1.1057761405 | |
| 32 | |
| -46.91069832 | |
| O -0.2563474813 -1.8042559802 1.0059455390 | |
| C -0.9022430111 -1.5489462791 -0.1204076709 | |
| O -0.3485458308 -1.2452849184 -1.1504586906 | |
| C -2.4018637011 -1.6848061788 0.0170167287 | |
| C -3.1384153507 -0.5175468881 -0.6488303805 | |
| C -3.2575898705 0.7160882112 0.2484345805 | |
| C -1.9280277804 1.3145643405 0.7095630513 | |
| C -1.1040869701 1.9150442012 -0.4282412981 | |
| C 0.1833521000 2.5818607505 0.0617377427 | |
| C 1.2470401497 1.6068003798 0.5699344321 | |
| C 1.9048075297 0.8147174605 -0.5680015184 | |
| C 2.7707338193 -0.2823257902 -0.0329157892 | |
| O 2.3952016189 -1.1807233307 0.6882854200 | |
| O 4.0372218094 -0.1911967602 -0.4291343289 | |
| H 4.5666023491 -0.9266281606 -0.0794706494 | |
| H 1.1285343896 0.3311151412 -1.1672832690 | |
| H 2.5015615300 1.4675010909 -1.2037667378 | |
| H 0.8036100493 0.9115442493 1.2831732314 | |
| H 2.0203486497 2.1705839091 1.0976146427 | |
| H 0.6112987703 3.1708998910 -0.7527442467 | |
| H -0.0662656399 3.2724248199 0.8711060132 | |
| H -1.7102308198 2.6680313718 -0.9381773176 | |
| H -0.8617569701 1.1423351917 -1.1563544887 | |
| H -2.1423012404 2.1013912999 1.4384299419 | |
| H -1.3527016107 0.5459713199 1.2245276707 | |
| H -3.8378876408 0.4440573307 1.1342992202 | |
| H -3.8227323102 1.4799865118 -0.2917001090 | |
| H -4.1474117707 -0.8404548576 -0.9132618609 | |
| H -2.6184457104 -0.2655804174 -1.5740097602 | |
| H -2.6758358213 -2.6155844483 -0.4855948721 | |
| H -2.6601153113 -1.7723796896 1.0721174486 | |
| H 0.7221286587 -1.6756793704 0.9059150893 | |
| 32 | |
| -46.91038859 | |
| O 0.7515281878 1.4564885301 1.3732712619 | |
| C 1.1543730386 1.7900287409 0.1634847724 | |
| O 0.4307245192 2.3212482812 -0.6530307178 | |
| C 2.5700824589 1.3704342713 -0.1349764568 | |
| C 2.5239252296 -0.0514255484 -0.7291258877 | |
| C 2.3244543689 -1.1245559491 0.3452891815 | |
| C 1.7916715896 -2.4576325488 -0.2100511897 | |
| C 0.3474901093 -2.7399769993 0.2145064690 | |
| C -0.6471644804 -1.7459416691 -0.3825550411 | |
| C -2.0021839609 -1.7774542297 0.3254377079 | |
| C -2.9378688107 -0.6711147496 -0.1871388322 | |
| C -2.2174179110 0.6456407405 -0.0365044808 | |
| O -1.8751942319 1.1064787099 1.0329618897 | |
| O -1.9313387103 1.2106825512 -1.1909703303 | |
| H -1.2628374005 1.9333948412 -1.0864571393 | |
| H -3.1823234199 -0.8211909990 -1.2379974124 | |
| H -3.8519014912 -0.6597913201 0.4070747472 | |
| H -1.8470605918 -1.6267344904 1.3958829481 | |
| H -2.4790804107 -2.7486479897 0.1838199469 | |
| H -0.2320628006 -0.7429554991 -0.2887022802 | |
| H -0.7802879696 -1.9480769785 -1.4476042413 | |
| H 0.2904718085 -2.6926460100 1.3045699690 | |
| H 0.0733341097 -3.7541218492 -0.0845058118 | |
| H 1.8538977204 -2.4567465481 -1.2999562497 | |
| H 2.4163747494 -3.2777566889 0.1479496802 | |
| H 1.6324374183 -0.7526106396 1.1019181712 | |
| H 3.2800288686 -1.2883879492 0.8467331521 | |
| H 3.4577543600 -0.2395565479 -1.2617568071 | |
| H 1.7165811001 -0.0933947681 -1.4637304483 | |
| H 2.9911046093 2.0615817218 -0.8646469061 | |
| H 3.1645168182 1.3777373308 0.7773293136 | |
| H -0.2297473223 1.5612815598 1.4722985812 | |
| 32 | |
| -46.91009180 | |
| O 1.5516708187 1.6455076821 1.1373396879 | |
| C 1.7656740075 1.3126131121 -0.1217888423 | |
| O 1.1067403857 1.7470322512 -1.0418125015 | |
| C 2.8549723185 0.2822672035 -0.2787610135 | |
| C 2.1827857700 -1.0903673374 -0.4677607324 | |
| C 1.3320750120 -1.4683758183 0.7447254087 | |
| C 0.5178374734 -2.7529631993 0.5788387500 | |
| C -0.4876321880 -2.7568663808 -0.5803223388 | |
| C -1.3144724199 -1.4800842518 -0.7435616379 | |
| C -2.1683304888 -1.1123488727 0.4698721831 | |
| C -2.8574562107 0.2520933764 0.2820390738 | |
| C -1.7809906822 1.2951517177 0.1212858723 | |
| O -1.1269486916 1.7405479187 1.0395116113 | |
| O -1.5714524242 1.6265161678 -1.1390643381 | |
| H -0.7019019749 2.0775672889 -1.2515069293 | |
| H -3.4820601118 0.2421444655 -0.6103243254 | |
| H -3.4594308099 0.4815959958 1.1611838745 | |
| H -1.5510262677 -1.0634212418 1.3676865523 | |
| H -2.9325931876 -1.8754724136 0.6287280542 | |
| H -0.6417698312 -0.6561211910 -0.9781664789 | |
| H -1.9722502208 -1.6067507028 -1.6071729870 | |
| H -1.1606714668 -3.6061862716 -0.4395091778 | |
| H 0.0491745310 -2.9238013402 -1.5168000494 | |
| H 1.1992449143 -3.5953493785 0.4364640292 | |
| H -0.0173862851 -2.9269588098 1.5149151707 | |
| H 0.6514179613 -0.6512104191 0.9804911994 | |
| H 1.9907318233 -1.5902454173 1.6084309779 | |
| H 2.9563945108 -1.8441698965 -0.6257990133 | |
| H 1.5659903188 -1.0487020783 -1.3662595617 | |
| H 3.4567229071 0.5184586041 -1.1563022943 | |
| H 3.4770965897 0.2804915044 0.6153937557 | |
| H 0.6772619283 2.0876298010 1.2480276290 | |
| 32 | |
| -46.91003546 | |
| O 1.7287569290 1.6599861043 0.9762818603 | |
| C 1.9418538297 1.1061607783 -0.1998055645 | |
| O 1.2871329714 1.3663292666 -1.1879091434 | |
| C 3.0229265849 0.0593436180 -0.1471124921 | |
| C 2.3952356365 -1.2020724966 0.4738968734 | |
| C 1.4360134881 -1.9075967052 -0.4901513358 | |
| C 0.3637430493 -2.7248559024 0.2396705764 | |
| C -0.8480622161 -1.8866339080 0.6627579034 | |
| C -1.7548301468 -1.5743724165 -0.5268695811 | |
| C -3.0092067652 -0.7626227185 -0.1889171330 | |
| C -2.7625523488 0.5261034476 0.6051196142 | |
| C -1.5898807741 1.3436553041 0.1261998595 | |
| O -0.8912378943 1.9832236732 0.8871227517 | |
| O -1.3833305345 1.3062479620 -1.1723567922 | |
| H -0.4859665669 1.6556010557 -1.3971737245 | |
| H -3.6522635225 1.1582334271 0.5445545042 | |
| H -2.5888342661 0.3110832163 1.6608327175 | |
| H -3.6955194886 -1.3801967947 0.3946281036 | |
| H -3.5032839902 -0.5115852214 -1.1290309400 | |
| H -1.1849486169 -1.0393006847 -1.2862313080 | |
| H -2.0811766644 -2.5165998965 -0.9745813323 | |
| H -0.5013938560 -0.9596664808 1.1231080000 | |
| H -1.4207227495 -2.4360079060 1.4137980901 | |
| H 0.0167011550 -3.5300597714 -0.4114077035 | |
| H 0.8131820188 -3.1887435574 1.1205950728 | |
| H 2.0123311393 -2.5646537278 -1.1442302367 | |
| H 0.9521018491 -1.1669649844 -1.1272591908 | |
| H 1.8645252259 -0.9081300398 1.3817285597 | |
| H 3.1918997764 -1.8879292838 0.7670434499 | |
| H 3.3945077575 -0.1505714813 -1.1492353074 | |
| H 3.8323359432 0.4179859792 0.4879103716 | |
| H 0.8589968811 2.1315186211 1.0007875052 | |
| 32 | |
| -46.91003146 | |
| O -1.2845607207 -0.9358316516 1.4369164110 | |
| C -1.8259460706 -1.0856288006 0.2446719208 | |
| O -1.4254820903 -1.8916034999 -0.5701998399 | |
| C -2.9902366207 -0.1608718706 0.0087898214 | |
| C -2.6163997709 1.3094799793 0.2413639227 | |
| C -1.7327243409 1.9117927503 -0.8538098867 | |
| C -0.2629173108 1.4794096705 -0.8498010469 | |
| C 0.4855937690 1.8972360196 0.4197673435 | |
| C 2.0047758090 2.0543148999 0.2473970139 | |
| C 2.8647676391 0.8351093798 0.5941389429 | |
| C 2.8147194494 -0.3081467994 -0.4238910581 | |
| C 1.6469749395 -1.2285811698 -0.1832971790 | |
| O 1.2329223194 -1.5157085208 0.9201705107 | |
| O 1.1221907497 -1.7001926689 -1.2970507794 | |
| H 0.2603296798 -2.1545735892 -1.1248935599 | |
| H 2.7660929395 0.0625630115 -1.4474997377 | |
| H 3.7172003595 -0.9173898793 -0.3257483385 | |
| H 2.5682508791 0.4427680289 1.5688660326 | |
| H 3.8996647791 1.1744628898 0.6730471533 | |
| H 2.2254229491 2.3703088708 -0.7749770159 | |
| H 2.3326076488 2.8603863994 0.9084647446 | |
| H 0.2874353690 1.1894675288 1.2253129429 | |
| H 0.0857776688 2.8657200392 0.7315122943 | |
| H -0.1984861606 0.4047422307 -1.0039686078 | |
| H 0.2136968192 1.9539943413 -1.7118657164 | |
| H -1.7655130710 2.9998061502 -0.7504456358 | |
| H -2.1641029207 1.6638907711 -1.8269959869 | |
| H -2.1286335910 1.4035307985 1.2113939728 | |
| H -3.5451417210 1.8833243391 0.2778828831 | |
| H -3.3583963605 -0.3140480398 -1.0061916788 | |
| H -3.7750086807 -0.4389574113 0.7155538211 | |
| H -0.4180233307 -1.4100704015 1.4948186306 | |
| 32 | |
| -46.90979846 | |
| O -1.4525744889 -1.4190901594 -1.2016813473 | |
| C -1.8279850515 -1.2827872948 0.0522286983 | |
| O -1.2464761018 -1.8081702192 0.9800556709 | |
| C -3.0113165281 -0.3604104927 0.2162023564 | |
| C -2.6107104625 1.0405832767 -0.2716586671 | |
| C -1.4378201325 1.6029858790 0.5354719483 | |
| C -0.7000306150 2.7473859796 -0.1715916186 | |
| C 0.7940838759 2.7391430869 0.1689464977 | |
| C 1.5214876474 1.5858000904 -0.5369252760 | |
| C 2.6360158457 0.9584181457 0.3046725928 | |
| C 2.9962211470 -0.4504419784 -0.1927913852 | |
| C 1.7783473241 -1.3318538618 -0.0607164069 | |
| O 1.1803708797 -1.8064100452 -1.0052356960 | |
| O 1.3940054327 -1.4911877172 1.1877602007 | |
| H 0.4875569885 -1.8907505473 1.2450451833 | |
| H 3.3063426772 -0.4290129608 -1.2373501904 | |
| H 3.7990523045 -0.8604694144 0.4206108609 | |
| H 2.3070079630 0.8749349566 1.3424453522 | |
| H 3.5265279325 1.5884298420 0.2842373739 | |
| H 0.7937405738 0.8098042512 -0.7776932591 | |
| H 1.9315366765 1.9327498295 -1.4869800121 | |
| H 0.9027709341 2.6402505932 1.2510290344 | |
| H 1.2421619311 3.6919917060 -0.1169379648 | |
| H -0.8104400444 2.6474724090 -1.2534528324 | |
| H -1.1389025837 3.7048020621 0.1136728623 | |
| H -0.7289523280 0.7949860904 0.7208834263 | |
| H -1.7909734825 1.9381816519 1.5123197499 | |
| H -3.4713857533 1.7077911221 -0.2056448791 | |
| H -2.3247600752 0.9626026984 -1.3224661229 | |
| H -3.8401583171 -0.7346097567 -0.3854958139 | |
| H -3.3006511434 -0.3418231085 1.2668238518 | |
| H -0.5594138111 -1.8449469389 -1.2727747839 | |
| 32 | |
| -46.90922482 | |
| O 1.2124451589 0.9351968987 1.4657351623 | |
| C 1.8780752394 1.0147496500 0.3305199027 | |
| O 1.5550121893 1.7468571404 -0.5806503369 | |
| C 3.0484588901 0.0686463809 0.2811459227 | |
| C 2.6855635015 -1.1757861988 -0.5484584785 | |
| C 1.4578610517 -1.9318553301 -0.0146314697 | |
| C 0.2065998920 -1.6933792203 -0.8636836301 | |
| C -1.0538884079 -2.3067978317 -0.2455337413 | |
| C -1.6181223591 -1.5004804330 0.9346265690 | |
| C -2.8816441795 -0.6947292937 0.6129608490 | |
| C -2.7284862896 0.3161484273 -0.5276952002 | |
| C -1.5904693305 1.2734014079 -0.2863140289 | |
| O -1.2469890213 1.6674821674 0.8082497616 | |
| O -0.9754204901 1.6216558892 -1.4010116683 | |
| H -0.1106129306 2.0650571797 -1.2163049575 | |
| H -2.5534891088 -0.1776127119 -1.4835150005 | |
| H -3.6482606800 0.8997648267 -0.6153993602 | |
| H -3.1743128204 -0.1553555046 1.5157510092 | |
| H -3.6906445589 -1.3801608841 0.3515440680 | |
| H -1.8732631190 -2.1804223338 1.7499635284 | |
| H -0.8545697798 -0.8229423127 1.3161114099 | |
| H -0.8094121873 -3.3181102618 0.0864305881 | |
| H -1.8211774574 -2.4030086717 -1.0160539217 | |
| H 0.0623401313 -0.6239416503 -1.0111898394 | |
| H 0.3699374728 -2.1358059095 -1.8498253304 | |
| H 1.2656732610 -1.6317950710 1.0166180905 | |
| H 1.6650088325 -3.0040286299 -0.0041562204 | |
| H 3.5573724319 -1.8319049781 -0.5461336985 | |
| H 2.5055464518 -0.8684521281 -1.5802590883 | |
| H 3.8944841500 0.5744696019 -0.1852423565 | |
| H 3.3060107498 -0.2239066397 1.2988149126 | |
| H 0.3603485385 1.4412232381 1.4300800723 | |
| 32 | |
| -46.90858671 | |
| O 4.0099764579 0.3099259045 -0.1062262491 | |
| C 2.6894153955 0.4600996875 -0.0159613563 | |
| O 2.0904187989 1.2174391082 -0.7456542642 | |
| C 2.0821872064 -0.4110381530 1.0419924826 | |
| C 1.8136112145 -1.8218178494 0.4856277821 | |
| C 0.6713700577 -1.8560346279 -0.5312428151 | |
| C -0.7063424459 -1.7759464418 0.1288277406 | |
| C -1.7929397046 -1.4342463631 -0.8891094112 | |
| C -3.1619368778 -1.1562663724 -0.2665700743 | |
| C -3.2237277606 0.0550123387 0.6687684262 | |
| C -2.7188182300 1.3575265695 0.0330854294 | |
| C -1.2166819482 1.4779097667 0.1618901038 | |
| O -0.6237940871 1.3537655199 1.2070555862 | |
| O -0.6127175469 1.7238384418 -0.9893047359 | |
| H 0.3705676776 1.6968520279 -0.8910585607 | |
| H -3.0008785693 1.4244884995 -1.0170069162 | |
| H -3.1511989204 2.2052517266 0.5691493817 | |
| H -2.6425829148 -0.1315608460 1.5731487885 | |
| H -4.2643450461 0.1893256431 0.9712272225 | |
| H -3.8775852884 -1.0026809407 -1.0786550210 | |
| H -3.4866665768 -2.0360856094 0.2946251752 | |
| H -1.8958911288 -2.2660785101 -1.5913410237 | |
| H -1.4806298879 -0.5642917506 -1.4678459441 | |
| H -0.9385166287 -2.7284814787 0.6110554170 | |
| H -0.6856177152 -1.0139063620 0.9048205159 | |
| H 0.7375898025 -2.7771028679 -1.1149975919 | |
| H 0.7865737040 -1.0220539908 -1.2266538267 | |
| H 1.5706413301 -2.4791629905 1.3221651735 | |
| H 2.7315705128 -2.1939646523 0.0246748987 | |
| H 2.7892646868 -0.4838636619 1.8682764255 | |
| H 1.1560384423 0.0497254615 1.3863835054 | |
| H 4.3761599978 0.8675217903 -0.8115423334 | |
| 32 | |
| -46.90852623 | |
| O -0.6542093584 -1.6427946313 -1.2985033893 | |
| C -1.0426357788 -1.6370411415 -0.0377017494 | |
| O -0.2864256689 -1.8378562407 0.8881458609 | |
| C -2.5126918591 -1.3537928228 0.1372210101 | |
| C -2.7610635406 0.0299793871 0.7662522998 | |
| C -2.8084182613 1.1759464769 -0.2479917903 | |
| C -1.4464786016 1.6540429881 -0.7579167499 | |
| C -0.6451024626 2.4532492889 0.2854502502 | |
| C 0.6628198378 1.7764842602 0.6986379207 | |
| C 1.7128146182 1.8007458210 -0.4142751189 | |
| C 2.9009979989 0.8687444721 -0.1167386484 | |
| C 2.3438850802 -0.5276151484 -0.0471601185 | |
| O 1.9501514011 -1.1408385988 -1.0170993885 | |
| O 2.2414982702 -0.9848159583 1.1855831416 | |
| H 1.5996258009 -1.7278024089 1.2331411115 | |
| H 3.6303822591 0.9377216527 -0.9235412982 | |
| H 3.3647339784 1.1243317127 0.8347616117 | |
| H 2.0829648973 2.8193439113 -0.5441706789 | |
| H 1.2613476688 1.4864899705 -1.3571509890 | |
| H 1.0690468171 2.2802650607 1.5788765908 | |
| H 0.4452329287 0.7479036900 0.9880071608 | |
| H -1.2570426531 2.5936377485 1.1785754000 | |
| H -0.4155708234 3.4468164891 -0.1049005898 | |
| H -0.8724448507 0.7916632186 -1.0926254696 | |
| H -1.6209818219 2.2787228878 -1.6359854101 | |
| H -3.3224568722 2.0236406165 0.2122664094 | |
| H -3.4118440407 0.8577991862 -1.1015515705 | |
| H -1.9976179710 0.2217685478 1.5217363201 | |
| H -3.7258794507 -0.0079307338 1.2761688395 | |
| H -3.0088848387 -1.4286121534 -0.8297954801 | |
| H -2.9076064486 -2.1184502131 0.8085014001 | |
| H 0.3319071517 -1.7028901704 -1.3700402490 | |
| 32 | |
| -46.90827402 | |
| O 1.4301604924 1.5278259588 1.0361098294 | |
| C 1.5427195318 1.3218429483 -0.2592162506 | |
| O 0.7889084622 1.8159996690 -1.0736032305 | |
| C 2.6788886907 0.4113585169 -0.6496743707 | |
| C 2.9875015697 -0.6662856532 0.3931175595 | |
| C 1.7882976189 -1.5234735217 0.8115097901 | |
| C 1.1204251777 -2.2941067112 -0.3375751595 | |
| C -0.2180455818 -1.6983322298 -0.7843508393 | |
| C -1.3481576918 -1.9781244182 0.2092490111 | |
| C -2.6881103012 -1.3555668768 -0.2134266887 | |
| C -3.0061831995 -0.0336708963 0.5022076210 | |
| C -1.9333370184 0.9932822924 0.2518244204 | |
| O -1.2266812576 1.4514919919 1.1242849401 | |
| O -1.8291868384 1.3352439520 -1.0170982697 | |
| H -0.9967779378 1.8418246610 -1.1785999700 | |
| H -3.9516251592 0.3571723847 0.1225323912 | |
| H -3.0878369494 -0.1922382159 1.5780864111 | |
| H -3.5010905420 -2.0485187858 0.0103471717 | |
| H -2.6860147013 -1.1815094571 -1.2904938788 | |
| H -1.4647992931 -3.0612827281 0.2910895214 | |
| H -1.0731033611 -1.6079435483 1.1984108809 | |
| H -0.4929030626 -2.1342346397 -1.7483634591 | |
| H -0.1079519406 -0.6255033000 -0.9339748596 | |
| H 1.7989599274 -2.3268763522 -1.1922338097 | |
| H 0.9455422965 -3.3278344509 -0.0311213492 | |
| H 1.0533747897 -0.8868271607 1.3036404301 | |
| H 2.1480828083 -2.2306986919 1.5616256902 | |
| H 3.3843096105 -0.1831012834 1.2874934893 | |
| H 3.7677376389 -1.3139767842 -0.0132849105 | |
| H 2.4237251999 -0.0273973531 -1.6156157605 | |
| H 3.5659671513 1.0331763958 -0.7966937611 | |
| H 0.5465879129 1.9088892899 1.2505172895 | |
| 32 | |
| -46.90733060 | |
| O -3.8872147709 -0.0348073205 -0.3814255706 | |
| C -2.7518957816 -0.3072544639 0.2511447144 | |
| O -2.3692801629 -1.4421917129 0.4242530146 | |
| C -2.0145577757 0.9225649534 0.6896744394 | |
| C -1.2493610024 1.5118200849 -0.5085247109 | |
| C -0.2352202728 2.5659106150 -0.0599236462 | |
| C 1.0432966559 1.9633505623 0.5283368630 | |
| C 1.9968178541 1.4600141983 -0.5542123970 | |
| C 3.2457007859 0.7817745473 0.0099824940 | |
| C 3.0031133465 -0.5583772783 0.7073296023 | |
| C 2.4246535530 -1.6388522992 -0.2179704232 | |
| C 0.9183147912 -1.5729729864 -0.3319259748 | |
| O 0.3173958051 -1.3639352457 -1.3579978293 | |
| O 0.3156212232 -1.7821945085 0.8294847817 | |
| H -0.6691216385 -1.7525338263 0.7252249388 | |
| H 2.8561120079 -1.5598583016 -1.2161649332 | |
| H 2.6617798377 -2.6213939997 0.1948231589 | |
| H 2.3411514108 -0.4323182516 1.5644878332 | |
| H 3.9639414881 -0.9118522795 1.0882980759 | |
| H 3.9494689692 0.6187554068 -0.8101557009 | |
| H 3.7250405816 1.4577161694 0.7234390869 | |
| H 2.3144195303 2.3133383551 -1.1594038369 | |
| H 1.4796803428 0.7692267436 -1.2177495871 | |
| H 1.5573993041 2.7233038524 1.1221389831 | |
| H 0.7844880775 1.1449262598 1.2005046722 | |
| H -0.7075502389 3.2170862403 0.6794562880 | |
| H 0.0335850711 3.1844810275 -0.9184962077 | |
| H -1.9710804295 1.9599340079 -1.1931493651 | |
| H -0.7380410632 0.7111300604 -1.0438587028 | |
| H -2.7267954211 1.6570775739 1.0662490421 | |
| H -1.3179104024 0.6475962560 1.4816363489 | |
| H -4.3093255698 -0.8484688843 -0.7017123851 | |
| 32 | |
| -46.90718220 | |
| O -1.2177017346 -1.9137788997 0.8172002077 | |
| C -1.5011434209 -1.3190844485 -0.3269516707 | |
| O -0.7731165784 -1.3618012421 -1.2947693301 | |
| C -2.8222546747 -0.5933371044 -0.2648269563 | |
| C -2.7887649374 0.5234822992 0.7953325361 | |
| C -2.3987029858 1.8949637486 0.2404523152 | |
| C -1.0643398472 1.9554864012 -0.5023042408 | |
| C 0.1736761426 1.7215771312 0.3642311848 | |
| C 1.4258040243 1.8856472983 -0.4972000904 | |
| C 2.7513515845 1.4862789677 0.1584207484 | |
| C 2.7783801584 0.1059945674 0.8321230954 | |
| C 1.9670594711 -0.9690149583 0.1552771436 | |
| O 1.4120303683 -1.8473147385 0.7855769064 | |
| O 1.9018912012 -0.8892169143 -1.1573511254 | |
| H 1.1575557962 -1.4320731887 -1.5006017733 | |
| H 3.8119531306 -0.2454673234 0.8852183833 | |
| H 2.4081530831 0.1662141683 1.8575036745 | |
| H 3.0190386679 2.2228147767 0.9189895147 | |
| H 3.5179811096 1.5195913726 -0.6176685894 | |
| H 1.2939187901 1.2966470480 -1.4054763429 | |
| H 1.5083909731 2.9318170839 -0.8025046604 | |
| H 0.1391126869 0.7157174121 0.7842015298 | |
| H 0.1904830397 2.4292641452 1.1964735307 | |
| H -1.0661448705 1.2228035044 -1.3107961892 | |
| H -0.9801767840 2.9441831709 -0.9614321423 | |
| H -2.3788069652 2.6045844860 1.0714810558 | |
| H -3.1817933225 2.2211912501 -0.4492274652 | |
| H -2.1087871251 0.2320728102 1.5965814849 | |
| H -3.7838544958 0.6169002733 1.2347977623 | |
| H -3.0699285390 -0.1940497495 -1.2478528754 | |
| H -3.5737622653 -1.3316689610 0.0194505538 | |
| H -0.2820174433 -2.2318403414 0.8380507399 | |
| 32 | |
| -46.90706013 | |
| O -0.5931715828 -1.8425255054 0.8443190617 | |
| C -1.1492589621 -1.4964510988 -0.3065499007 | |
| O -0.5148836302 -1.1333246210 -1.2683854216 | |
| C -2.6567521354 -1.6037534670 -0.2838021829 | |
| C -3.3147773119 -0.4175885711 0.4393589082 | |
| C -2.8881154420 0.9342350499 -0.1428877728 | |
| C -1.6087293074 1.4737371841 0.5090868063 | |
| C -0.7375594829 2.2490347560 -0.4761630280 | |
| C 0.5894325994 2.7165763406 0.1252178605 | |
| C 1.5080249750 1.5912411126 0.6053577395 | |
| C 1.9687204791 0.6688371053 -0.5320861586 | |
| C 2.6483905773 -0.5445062412 0.0200999414 | |
| O 2.1180975038 -1.3798374468 0.7198580394 | |
| O 3.9293049126 -0.6359184500 -0.3254830000 | |
| H 4.3338156518 -1.4394277494 0.0405624463 | |
| H 1.0983193195 0.3103142945 -1.0876847046 | |
| H 2.6461525089 1.1909906758 -1.2060847523 | |
| H 0.9998127959 0.9954435704 1.3645699098 | |
| H 2.3877991742 2.0371967328 1.0761804352 | |
| H 1.1214020714 3.3096907654 -0.6222353759 | |
| H 0.3811247997 3.3684380948 0.9771551607 | |
| H -1.2858645258 3.1266279282 -0.8272170586 | |
| H -0.5453996167 1.6170440837 -1.3445705259 | |
| H -1.8650005515 2.1132955355 1.3569300250 | |
| H -1.0365149781 0.6360076315 0.9018056793 | |
| H -3.6947111785 1.6586444622 -0.0163137028 | |
| H -2.7246004805 0.8140080591 -1.2154869335 | |
| H -3.0663760177 -0.4566240029 1.5013446762 | |
| H -4.3961663475 -0.5364483933 0.3455877584 | |
| H -3.0054682400 -1.6383417188 -1.3167777385 | |
| H -2.9285129582 -2.5293458060 0.2248865264 | |
| H 0.3915223878 -1.7339082692 0.8235589149 | |
| 32 | |
| -46.90695266 | |
| O -0.4742931096 -1.5658854929 0.8748171247 | |
| C -0.8769032831 -1.4799239587 -0.3807138633 | |
| O -0.1160076039 -1.3529916377 -1.3124400928 | |
| C -2.3741736603 -1.5893231240 -0.5478349915 | |
| C -3.1956046614 -0.7790491270 0.4577549778 | |
| C -3.2116052099 0.7307230313 0.2014610846 | |
| C -1.9191451524 1.4646888210 0.5924559990 | |
| C -1.0559415343 1.8611396686 -0.6060190346 | |
| C 0.2285260018 2.5839087797 -0.1918304346 | |
| C 1.2706687524 1.6803919142 0.4696637252 | |
| C 2.0013320240 0.7884797843 -0.5421954532 | |
| C 2.7274029217 -0.3290280516 0.1397423078 | |
| O 2.2257747610 -1.1156459505 0.9133887921 | |
| O 4.0142766142 -0.3958989047 -0.1860197170 | |
| H 4.4466392155 -1.1479161109 0.2508450400 | |
| H 1.2726723030 0.3134191367 -1.2054892856 | |
| H 2.7052333510 1.3642193234 -1.1415972142 | |
| H 0.7906945877 1.0522035112 1.2206276493 | |
| H 2.0075932086 2.3014800874 0.9843834313 | |
| H 0.6774545663 3.0499274338 -1.0717475063 | |
| H -0.0329078956 3.3829180716 0.5061892870 | |
| H -1.6368646495 2.5325995934 -1.2435539122 | |
| H -0.8126697476 0.9819435767 -1.2005272517 | |
| H -2.1746192105 2.3766075822 1.1380097143 | |
| H -1.3477979094 0.8344239841 1.2733625886 | |
| H -4.0389883395 1.1458300346 0.7812195261 | |
| H -3.4340985010 0.9140496731 -0.8519033288 | |
| H -2.8233809349 -0.9767376931 1.4639322853 | |
| H -4.2255142166 -1.1407812405 0.4069677528 | |
| H -2.6216429942 -1.3041151573 -1.5715891944 | |
| H -2.6144493388 -2.6490693680 -0.4239828486 | |
| H 0.5112870095 -1.4765341567 0.9417309368 | |
| 32 | |
| -46.90676899 | |
| O -0.6974397970 -1.7587377194 0.8641872086 | |
| C -1.2666561099 -1.4578990867 -0.2974522362 | |
| O -0.6568335678 -1.4057541073 -1.3360752228 | |
| C -2.7522310391 -1.2101758693 -0.1500128360 | |
| C -3.0631008041 -0.0333442551 0.7862525023 | |
| C -3.0213082844 1.3331498980 0.0968344116 | |
| C -1.7253820657 1.6440503111 -0.6517450095 | |
| C -0.4943411376 1.7334082086 0.2489493289 | |
| C 0.7793919399 1.7906718660 -0.5921131891 | |
| C 2.0619889292 1.9072803335 0.2319767062 | |
| C 2.3630176670 0.6548557605 1.0623492783 | |
| C 2.5343402270 -0.5736413804 0.2102994493 | |
| O 1.9857208408 -1.6321738067 0.4128400531 | |
| O 3.3916953443 -0.4062573930 -0.7893678134 | |
| H 3.4509131474 -1.2127499664 -1.3265768591 | |
| H 3.3010696206 0.8037668045 1.6032197035 | |
| H 1.5748426806 0.4629233381 1.7901638194 | |
| H 1.9843144124 2.7606795506 0.9087575900 | |
| H 2.9010516190 2.0850458532 -0.4425541429 | |
| H 0.8262244460 0.8946083665 -1.2151460159 | |
| H 0.7202638498 2.6520550746 -1.2617154304 | |
| H -0.4590252272 0.8610863654 0.8999354771 | |
| H -0.5626395476 2.6209568874 0.8833525682 | |
| H -1.5546490195 0.8781661021 -1.4082040882 | |
| H -1.8487064850 2.5948354677 -1.1769135794 | |
| H -3.1955208475 2.1032951232 0.8529061224 | |
| H -3.8457134060 1.3837525527 -0.6190831348 | |
| H -2.3694313849 -0.0597904802 1.6272111550 | |
| H -4.0680493875 -0.1693102613 1.1922582780 | |
| H -3.1850588394 -1.0442296998 -1.1366082662 | |
| H -3.1781759794 -2.1211028541 0.2753122461 | |
| H 0.2751560885 -1.8818190396 0.7559702525 | |
| 32 | |
| -46.90676335 | |
| O -0.9876651826 -1.2550288987 1.5861060099 | |
| C -1.6900436422 -1.1327491988 0.4706439496 | |
| O -1.4988394024 -1.8238905294 -0.5040961200 | |
| C -2.7060598414 -0.0194905780 0.5537793988 | |
| C -2.6510226204 0.8693190714 -0.6961076016 | |
| C -1.2500187099 1.4051710602 -1.0007932214 | |
| C -0.7291673694 2.4654375403 -0.0243093918 | |
| C 0.8041643405 2.4625275292 0.0230340787 | |
| C 1.3244358795 1.3964176593 0.9948675494 | |
| C 2.6952754791 0.8105573781 0.6475208901 | |
| C 2.6763304489 -0.0951902624 -0.5904519395 | |
| C 1.6428360181 -1.1870190316 -0.4547001293 | |
| O 1.4393832573 -1.8270938010 0.5518897709 | |
| O 0.9411286583 -1.3538431316 -1.5649701594 | |
| H 0.1619366278 -1.9363016510 -1.4181420494 | |
| H 2.4575307996 0.4654935173 -1.4989075998 | |
| H 3.6554500886 -0.5652214232 -0.7063165990 | |
| H 3.0349444585 0.2157526683 1.4972741705 | |
| H 3.4147940698 1.6148844876 0.4843958699 | |
| H 1.3803958295 1.8317844097 1.9948470792 | |
| H 0.6077842089 0.5780957298 1.0519709395 | |
| H 1.1693402411 3.4428786291 0.3347508283 | |
| H 1.1835874707 2.2816059585 -0.9836810911 | |
| H -1.0917815886 3.4477883404 -0.3329856424 | |
| H -1.1095818099 2.2806734211 0.9812450482 | |
| H -1.2554655293 1.8301227897 -2.0069444516 | |
| H -0.5590496905 0.5633024397 -1.0218817608 | |
| H -3.3491453598 1.6987127419 -0.5698616822 | |
| H -2.9790292506 0.2736434412 -1.5498741914 | |
| H -3.6994793418 -0.4662257472 0.6316971087 | |
| H -2.5122593913 0.5491715223 1.4627607586 | |
| H -0.2184991730 -1.8570819494 1.4673018604 | |
| 32 | |
| -46.90663111 | |
| O -3.9726397099 -0.2665540587 0.2022374399 | |
| C -2.6607275199 -0.4566354390 0.0705009895 | |
| O -2.0747293201 -1.2746342899 0.7430570685 | |
| C -2.0500081398 0.4548293520 -0.9500888495 | |
| C -1.7512050793 1.8277223112 -0.3174297880 | |
| C -0.4472757291 1.8573742699 0.4834715219 | |
| C 0.7740890508 2.0302169105 -0.4203679881 | |
| C 2.0910729809 2.1207690792 0.3556769518 | |
| C 2.6041948706 0.7680978385 0.8547974402 | |
| C 3.1456796001 -0.1142385504 -0.2810312009 | |
| C 2.6899204497 -1.5742102204 -0.1561452625 | |
| C 1.1852593097 -1.6133234598 -0.2919978123 | |
| O 0.5928046896 -1.3644148084 -1.3143557720 | |
| O 0.5826606697 -1.8908716009 0.8520325774 | |
| H -0.4004326703 -1.7989486705 0.7824934877 | |
| H 3.1332457194 -2.1647631696 -0.9588375233 | |
| H 2.9758521997 -1.9892677916 0.8095415070 | |
| H 4.2362747501 -0.0834188207 -0.2932136410 | |
| H 2.7966705801 0.2623097008 -1.2438562504 | |
| H 3.3931081407 0.9394002474 1.5898497503 | |
| H 1.7958367905 0.2517870381 1.3725599197 | |
| H 1.9509002513 2.7875285083 1.2099854926 | |
| H 2.8543461110 2.5676032497 -0.2858742178 | |
| H 0.8210487504 1.2044395513 -1.1304683591 | |
| H 0.6457655710 2.9509331012 -0.9954454470 | |
| H -0.3588915093 0.9418973292 1.0697899308 | |
| H -0.4835881288 2.6948960991 1.1848290828 | |
| H -2.5898986891 2.1061500507 0.3249849725 | |
| H -1.6916707491 2.5686556421 -1.1165066971 | |
| H -1.1370313600 0.0017838222 -1.3372759702 | |
| H -2.7715309399 0.5818853832 -1.7569991493 | |
| H -4.3414036999 -0.8501690994 0.8848662593 | |
| 32 | |
| -46.90618631 | |
| O -4.0096893628 -0.0415790547 -0.0719012749 | |
| C -2.7655916569 -0.3643975159 0.2689977231 | |
| O -2.3653135222 -1.5047566155 0.2160736681 | |
| C -1.9458618759 0.8264361439 0.6682105728 | |
| C -1.3236791496 1.4287034179 -0.6047788953 | |
| C -0.3227534635 2.5564063034 -0.3147670536 | |
| C 1.1389445998 2.1044593376 -0.3693654726 | |
| C 1.5849532785 1.2991116276 0.8485036285 | |
| C 3.0298925113 0.8096075675 0.7387824711 | |
| C 3.2520474999 -0.2863941241 -0.3058512028 | |
| C 2.5272229831 -1.5943332097 0.0243138794 | |
| C 1.0561205150 -1.5429827145 -0.3267247603 | |
| O 0.6162639756 -1.0955568961 -1.3568278422 | |
| O 0.2956540621 -2.0642449518 0.6282239103 | |
| H -0.6671822121 -1.9977828388 0.4093783545 | |
| H 2.9593662944 -2.4022067393 -0.5714202288 | |
| H 2.6297724204 -1.8505913662 1.0789597154 | |
| H 4.3237886008 -0.4871215909 -0.3657543552 | |
| H 2.9215441136 0.0529756856 -1.2880163974 | |
| H 3.6737827502 1.6580746401 0.4938262291 | |
| H 3.3458432055 0.4279367879 1.7133268748 | |
| H 0.9343644095 0.4377654565 0.9852268586 | |
| H 1.4936413022 1.9261230257 1.7398697306 | |
| H 1.2775508715 1.5086142101 -1.2716562329 | |
| H 1.7779801126 2.9877197414 -0.4516550763 | |
| H -0.5354758795 3.0063442212 0.6573052737 | |
| H -0.4570010313 3.3343370471 -1.0689200479 | |
| H -2.1382577036 1.8089319290 -1.2239465291 | |
| H -0.8199116825 0.6394805905 -1.1654277049 | |
| H -2.5894184312 1.5634716537 1.1486314303 | |
| H -1.1669239867 0.5090650957 1.3597039107 | |
| H -4.4999324892 -0.8219451532 -0.3778614639 | |
| 32 | |
| -46.90579613 | |
| O -2.2183696076 -0.4370442148 1.3203610783 | |
| C -2.4143591640 -0.1050782594 0.0567986833 | |
| O -2.3315496177 -0.8979995656 -0.8554709219 | |
| C -2.6778832548 1.3687663086 -0.1243455220 | |
| C -1.4094108028 2.1386556074 0.2790602150 | |
| C -0.1842570913 1.6159686090 -0.4695475708 | |
| C 1.1198587254 2.2924464617 -0.0524900950 | |
| C 2.3452352490 1.5850056057 -0.6551637698 | |
| C 3.1383973263 0.7412976602 0.3473254087 | |
| C 2.3950704340 -0.4532101182 0.9483636067 | |
| C 2.0854993761 -1.5652902953 -0.0747072604 | |
| C 0.6033332470 -1.8378052597 -0.1498133382 | |
| O -0.1008573397 -2.0137765107 0.8197703713 | |
| O 0.1384621992 -1.8398116261 -1.3876530569 | |
| H -0.8469886591 -1.8499556866 -1.3972700529 | |
| H 2.4384606281 -1.3008889314 -1.0705456741 | |
| H 2.5725409559 -2.4949645802 0.2240169540 | |
| H 1.4656907708 -0.1158524218 1.4088607316 | |
| H 3.0104602993 -0.8637839799 1.7501845780 | |
| H 4.0431175902 0.3769048294 -0.1459478793 | |
| H 3.4545698559 1.3892761816 1.1685534318 | |
| H 3.0305196566 2.3313357748 -1.0622681916 | |
| H 2.0225356102 0.9592988561 -1.4888408859 | |
| H 1.0959752654 3.3353719208 -0.3742711739 | |
| H 1.1957635960 2.2930054060 1.0367556480 | |
| H -0.3326029294 1.7432082796 -1.5443566038 | |
| H -0.0888897706 0.5481737084 -0.2793660585 | |
| H -1.2542472306 2.0188193535 1.3530057001 | |
| H -1.5519562145 3.2006791694 0.0716342776 | |
| H -2.9271844446 1.5538524126 -1.1691477368 | |
| H -3.5104658130 1.6701622815 0.5113046175 | |
| H -1.7908108225 -1.3187686399 1.3856069392 | |
| 32 | |
| -46.90573542 | |
| O -4.1359632533 -0.2298523876 -0.0560896954 | |
| C -2.8206850855 -0.2425987332 0.1395417805 | |
| O -2.2980697618 -1.0232257784 0.9049345400 | |
| C -2.0860858169 0.7695805133 -0.6833491856 | |
| C -1.1071518507 1.5837043822 0.1723451787 | |
| C 0.0616384553 2.1268011237 -0.6494782244 | |
| C 1.2352676278 2.5670124774 0.2293889349 | |
| C 1.9905409399 1.3891853470 0.8507112249 | |
| C 2.8924631558 0.6519935015 -0.1441938704 | |
| C 3.2057837990 -0.7815514279 0.3109688328 | |
| C 2.3665476071 -1.8349085087 -0.4267724892 | |
| C 0.8822255601 -1.5566040384 -0.3502698539 | |
| O 0.2154542205 -1.2305483647 -1.3035118724 | |
| O 0.3861950679 -1.7110917675 0.8658781582 | |
| H -0.5832485362 -1.5094451739 0.8954910015 | |
| H 2.6448411364 -1.8576486372 -1.4814378325 | |
| H 2.5521965843 -2.8152641096 0.0151287827 | |
| H 3.0311801683 -0.8717617347 1.3841154633 | |
| H 4.2564339590 -1.0133097397 0.1270203744 | |
| H 2.4117712707 0.6140365418 -1.1223680859 | |
| H 3.8195147580 1.2161072210 -0.2640902673 | |
| H 1.2744508622 0.6853290650 1.2737893083 | |
| H 2.6045057057 1.7541223694 1.6774537094 | |
| H 1.9320687537 3.1572324125 -0.3697903453 | |
| H 0.8572961037 3.2119591941 1.0262499810 | |
| H -0.2796734618 2.9719798532 -1.2505546183 | |
| H 0.3998386966 1.3504157252 -1.3361611127 | |
| H -0.7223180743 0.9316885500 0.9572639158 | |
| H -1.6351322606 2.4054315050 0.6607146002 | |
| H -1.5049746069 0.1912507935 -1.4098930829 | |
| H -2.7973790573 1.4004120861 -1.2132878791 | |
| H -4.5742190046 -0.9184764556 0.4702637038 | |
| 32 | |
| -46.90566577 | |
| O -1.9185359234 -1.3518322775 -0.8848821104 | |
| C -1.9736290829 -0.8998598474 0.3539451395 | |
| O -1.3354890639 -1.3880228383 1.2626269297 | |
| C -2.9125477311 0.2722106941 0.5101383492 | |
| C -2.6619718292 1.3674840537 -0.5372101208 | |
| C -1.4133821879 2.2117411517 -0.2688356406 | |
| C -0.1337059992 1.3788620197 -0.2195223302 | |
| C 1.1357819821 2.2203944277 -0.0421714700 | |
| C 2.2192378308 1.5129318360 0.7814134803 | |
| C 3.1522287594 0.5595307345 0.0257726506 | |
| C 2.5008482480 -0.4875673145 -0.8778510095 | |
| C 1.4272679265 -1.3514527328 -0.2654275297 | |
| O 0.6574311356 -1.9950428016 -0.9484512798 | |
| O 1.3820913062 -1.3566895826 1.0517314903 | |
| H 0.5461411755 -1.7682633113 1.3668910902 | |
| H 2.0546885389 -0.0174290639 -1.7565360896 | |
| H 3.2760391370 -1.1644132558 -1.2498615493 | |
| H 3.7666536985 0.0488844736 0.7697980907 | |
| H 3.8212267205 1.1492245434 -0.6061442193 | |
| H 2.8601851719 2.2732964251 1.2351100603 | |
| H 1.7391444297 0.9717810369 1.5974089302 | |
| H 0.8626878434 3.1338813382 0.4917409698 | |
| H 1.5361960728 2.5208262570 -1.0120903300 | |
| H -0.2087678605 0.7065718099 0.6330807398 | |
| H -0.0730723700 0.7767574195 -1.1270776002 | |
| H -1.5321849473 2.7403178220 0.6803614193 | |
| H -1.3302836265 2.9627227215 -1.0582745406 | |
| H -3.5298129081 2.0300717550 -0.5531968511 | |
| H -2.5810649597 0.8969289734 -1.5182524207 | |
| H -3.9271535217 -0.1112882443 0.3809488290 | |
| H -2.8154741207 0.6659651041 1.5225664692 | |
| H -1.1562531243 -1.9652377788 -1.0001567502 | |
| 32 | |
| -46.90564746 | |
| O -3.9696697196 -0.4743185430 0.3133742783 | |
| C -2.6434504895 -0.4744750618 0.1962985985 | |
| O -1.9384838293 -1.0199449623 1.0158836680 | |
| C -2.1706383399 0.2764968201 -1.0114451004 | |
| C -1.8808206011 1.7475224099 -0.6589721785 | |
| C -0.7023690114 1.9292134796 0.2983345620 | |
| C 0.6560083889 1.7217720215 -0.3717726280 | |
| C 1.7832151287 1.6771716310 0.6605568022 | |
| C 3.1145925992 1.1511504128 0.1054426618 | |
| C 3.3825064603 -0.3318327874 0.3879750000 | |
| C 2.6646568813 -1.3154513368 -0.5385298814 | |
| C 1.1721982813 -1.4360575082 -0.3308614919 | |
| O 0.3959029316 -1.6081215676 -1.2431083023 | |
| O 0.7966299410 -1.3666152001 0.9332501981 | |
| H -0.1895139590 -1.3673769609 1.0080844479 | |
| H 2.8352124913 -1.0593947753 -1.5858526310 | |
| H 3.0736935820 -2.3163279066 -0.3712930426 | |
| H 3.1172097003 -0.5573726989 1.4216296597 | |
| H 4.4550491805 -0.5083065664 0.2742169400 | |
| H 3.1639867393 1.3332357842 -0.9701717679 | |
| H 3.9279983687 1.7165337128 0.5658248727 | |
| H 1.4769847790 1.0455590997 1.4959408014 | |
| H 1.9276683278 2.6856880207 1.0553078535 | |
| H 0.6453937797 0.7955144422 -0.9408208191 | |
| H 0.8409140484 2.5328981825 -1.0805056269 | |
| H -0.8025696711 1.2281680284 1.1290862911 | |
| H -0.7394496023 2.9374770190 0.7180249133 | |
| H -2.7806837515 2.1796463186 -0.2142995981 | |
| H -1.6779251213 2.2836956412 -1.5877052678 | |
| H -1.2743882994 -0.2118007987 -1.3949719008 | |
| H -2.9578402497 0.2409650004 -1.7642335006 | |
| H -4.2498215194 -0.9528471942 1.1104661676 | |
| 32 | |
| -46.90563110 | |
| O 3.7594049612 0.4851211864 -0.7010587531 | |
| C 2.6253038818 0.2897203668 -0.0403743724 | |
| O 2.3028502308 0.9814891932 0.9001548652 | |
| C 1.8135284918 -0.8516244956 -0.5784048546 | |
| C 1.3800978238 -1.8029466647 0.5438861390 | |
| C 0.1684165782 -2.6742920895 0.1980570969 | |
| C -1.1870400933 -1.9907279430 0.4294482712 | |
| C -1.7647138762 -1.2951741695 -0.8024288918 | |
| C -3.1227103739 -0.6453057192 -0.5301608084 | |
| C -3.0917196949 0.5480979391 0.4272079133 | |
| C -2.3255606198 1.7583848100 -0.1193207049 | |
| C -0.8233235884 1.6137092818 -0.0366956688 | |
| O -0.0779176877 1.7541509933 -0.9779509274 | |
| O -0.3971287788 1.3333932737 1.1852791732 | |
| H 0.5898487435 1.2487307533 1.2007568778 | |
| H -2.5955394998 1.9495066919 -1.1587342376 | |
| H -2.5850246881 2.6365814223 0.4765299020 | |
| H -2.6605366049 0.2583013051 1.3851769841 | |
| H -4.1236170743 0.8563738971 0.6105678558 | |
| H -3.5461880017 -0.3143496989 -1.4818088940 | |
| H -3.7967351666 -1.3994652108 -0.1152437288 | |
| H -1.8917273016 -2.0371320870 -1.5954437537 | |
| H -1.0807192822 -0.5371133901 -1.1778381995 | |
| H -1.9099390537 -2.7443720068 0.7526373991 | |
| H -1.0825322465 -1.2725217327 1.2430230422 | |
| H 0.2135392171 -3.5598457955 0.8354497524 | |
| H 0.2426510996 -3.0153833271 -0.8360722280 | |
| H 1.1522396717 -1.2189252159 1.4381063516 | |
| H 2.2272132658 -2.4495803429 0.7850743279 | |
| H 0.9404076363 -0.3973739940 -1.0499118439 | |
| H 2.3861500951 -1.3719371222 -1.3450111549 | |
| H 4.2357342179 1.2578937878 -0.3557083616 | |
| 32 | |
| -46.90562792 | |
| O -3.9162374097 -0.1508950479 -0.5651902290 | |
| C -2.8268808392 0.2853248714 0.0584258707 | |
| O -2.5222183689 1.4563443813 0.0712270111 | |
| C -2.0384289792 -0.8190486491 0.6967316597 | |
| C -1.2112598699 -1.5433467388 -0.3799430112 | |
| C -0.1909039199 -2.4941173194 0.2501485377 | |
| C 1.0905093806 -1.7854125800 0.6989232574 | |
| C 2.0478014200 -1.5460409096 -0.4689305030 | |
| C 3.3135232904 -0.7708054702 -0.0765727133 | |
| C 3.2751486307 0.7229700600 -0.4089447924 | |
| C 2.3185755414 1.5446549098 0.4533382085 | |
| C 0.8853489011 1.5143247605 -0.0302324607 | |
| O 0.5333562204 1.2149610112 -1.1432479607 | |
| O 0.0415143017 1.8879662802 0.9245277200 | |
| H -0.8940235785 1.8791318306 0.5974687505 | |
| H 2.3439175418 1.2273394292 1.4966676484 | |
| H 2.6143457916 2.5975666397 0.4283576889 | |
| H 2.9928799901 0.8518123506 -1.4555333222 | |
| H 4.2832518108 1.1236907897 -0.2809782528 | |
| H 3.5084626010 -0.9004722008 0.9908794366 | |
| H 4.1646401900 -1.1966133001 -0.6127299240 | |
| H 1.5328609297 -1.0053428391 -1.2622619224 | |
| H 2.3348762295 -2.5207062995 -0.8712327537 | |
| H 0.8380121411 -0.8373268102 1.1740774781 | |
| H 1.5975031008 -2.4015619405 1.4459725968 | |
| H 0.0748590695 -3.2638344991 -0.4771584228 | |
| H -0.6540433995 -2.9958691897 1.1028819577 | |
| H -0.6931852101 -0.8067882286 -0.9952562311 | |
| H -1.8939115305 -2.0996848082 -1.0240924311 | |
| H -1.3785676086 -0.3920840497 1.4518358195 | |
| H -2.7242118591 -1.5254873792 1.1654099096 | |
| H -4.3763242997 0.5789503024 -1.0105748183 | |
| 32 | |
| -46.90492005 | |
| O -0.3572099866 -1.8392618331 0.8751552938 | |
| C -1.2485616034 -1.4472537876 -0.0329193344 | |
| O -0.9947311027 -1.3366980076 -1.2036692858 | |
| C -2.6021134152 -1.1970071031 0.5976556694 | |
| C -3.4616156230 -0.1958548773 -0.1732824348 | |
| C -3.0983426242 1.2738431826 0.0571564555 | |
| C -1.7748948162 1.7044129883 -0.5887132353 | |
| C -0.5830027397 1.6718061293 0.3683752848 | |
| C 0.7292056147 1.8376356510 -0.3959444614 | |
| C 1.9678286113 1.8440336185 0.5013066873 | |
| C 2.2983362295 0.4619383458 1.0764861713 | |
| C 2.6677545051 -0.5257925724 0.0033554999 | |
| O 2.1760255508 -1.6224624379 -0.1294486365 | |
| O 3.6373454313 -0.0914700966 -0.7956758919 | |
| H 3.8403871597 -0.7518911134 -1.4775114336 | |
| H 3.1610767967 0.5502232725 1.7413817672 | |
| H 1.4610578408 0.0605092662 1.6466591823 | |
| H 1.8124735557 2.5384670048 1.3292898269 | |
| H 2.8271389769 2.1919331346 -0.0743709417 | |
| H 0.8126787796 1.0316360358 -1.1285775949 | |
| H 0.6944278925 2.7801291848 -0.9475743068 | |
| H -0.5754844659 0.7278138015 0.9102064394 | |
| H -0.6828318210 2.4740869101 1.1045593335 | |
| H -1.5665625187 1.0496605149 -1.4355615191 | |
| H -1.8731353321 2.7205842560 -0.9779843819 | |
| H -3.0703289451 1.4801926575 1.1298562346 | |
| H -3.9062711918 1.8748484333 -0.3663029143 | |
| H -4.5024718752 -0.3399358829 0.1257440978 | |
| H -3.3828712369 -0.4223369071 -1.2381306256 | |
| H -3.1061136534 -2.1678270559 0.6145724521 | |
| H -2.4562546307 -0.8858874015 1.6328974691 | |
| H 0.5327576215 -1.9719344700 0.4669043379 | |
| 32 | |
| -46.90488342 | |
| O -3.9087756092 -0.1773572888 0.4396433934 | |
| C -2.6774268395 0.0647924509 -0.0019178776 | |
| O -2.4368089397 1.0124112910 -0.7165098075 | |
| C -1.6792117394 -0.9420943396 0.4818659312 | |
| C -0.8744341307 -1.5437639696 -0.6765727996 | |
| C 0.0975306093 -2.6286619901 -0.2077667808 | |
| C 1.2885638103 -2.1498547108 0.6340862583 | |
| C 2.5434439597 -1.7890094610 -0.1723307027 | |
| C 2.5699042798 -0.3510631809 -0.6941846823 | |
| C 2.8454768411 0.6701117687 0.4156223078 | |
| C 2.1870519914 2.0242465990 0.1246211488 | |
| C 0.6881402714 1.8396010896 0.1996893901 | |
| O 0.1026293721 1.5208680795 1.2067605205 | |
| O 0.0919197204 2.0023284702 -0.9697451693 | |
| H -0.8713871896 1.7733293205 -0.9206748786 | |
| H 2.4885197023 2.7489198987 0.8821229988 | |
| H 2.4598136107 2.3903671092 -0.8643022213 | |
| H 3.9214470513 0.8057046482 0.5366132669 | |
| H 2.4495398218 0.3065172685 1.3653872481 | |
| H 3.3427121891 -0.2637230909 -1.4611286529 | |
| H 1.6193183894 -0.1250013003 -1.1747499614 | |
| H 2.6324407087 -2.4780502008 -1.0152170030 | |
| H 3.4232172402 -1.9364247115 0.4589988665 | |
| H 0.9885118111 -1.3002991909 1.2467757188 | |
| H 1.5557904905 -2.9588232311 1.3174235778 | |
| H 0.4755924584 -3.1544417399 -1.0873646113 | |
| H -0.4746727304 -3.3529445801 0.3774095394 | |
| H -0.3431926208 -0.7502453296 -1.2000080499 | |
| H -1.5715098414 -1.9945593591 -1.3881731892 | |
| H -1.0082720986 -0.4085582601 1.1611442408 | |
| H -2.2042892992 -1.7200294496 1.0357258315 | |
| H -4.5294487192 0.5042009815 0.1338396242 | |
| 32 | |
| -46.90486969 | |
| O -4.0452427783 -0.3408248222 -0.9269793807 | |
| C -2.9266096985 -0.3223937108 -0.1981848404 | |
| O -2.1654781381 -1.2581974605 -0.1843532390 | |
| C -2.7905334591 0.9542960903 0.5819795079 | |
| C -1.3679252893 1.2319405715 1.0630641078 | |
| C -0.4248486492 1.6276090903 -0.0719466625 | |
| C 0.9541159705 1.9891565315 0.4801908573 | |
| C 2.0309025907 2.1192256905 -0.5991438526 | |
| C 2.5011115614 0.7753655399 -1.1626803207 | |
| C 3.2805200814 -0.0674562685 -0.1398763994 | |
| C 2.7843195320 -1.5184113586 -0.0709602875 | |
| C 1.3502278519 -1.5369898684 0.4095585522 | |
| O 1.0010808315 -1.2603038570 1.5287356917 | |
| O 0.5046614922 -1.8563637601 -0.5626832976 | |
| H -0.4313009279 -1.7829201700 -0.2719641879 | |
| H 2.8383201124 -1.9897552899 -1.0518810769 | |
| H 3.3961320120 -2.0763163674 0.6393433634 | |
| H 3.1843247111 0.3690018129 0.8551024600 | |
| H 4.3423882415 -0.0753037884 -0.3912207691 | |
| H 1.6355257916 0.2145788191 -1.5157490301 | |
| H 3.1307917815 0.9663615589 -2.0340862208 | |
| H 2.8936724404 2.6423216913 -0.1797126231 | |
| H 1.6419340007 2.7306385592 -1.4172252335 | |
| H 0.8766144601 2.9361354722 1.0198562360 | |
| H 1.2478889907 1.2272447926 1.2026694484 | |
| H -0.8360583894 2.4804696094 -0.6190838338 | |
| H -0.3397035787 0.7962613093 -0.7725175114 | |
| H -0.9723873591 0.3435271723 1.5587581191 | |
| H -1.4010876198 2.0393835324 1.7970335767 | |
| H -3.1711114193 1.7715755193 -0.0334852033 | |
| H -3.4603158993 0.8555416512 1.4414377379 | |
| H -4.1359363979 -1.1833172429 -1.4008276995 | |
| 32 | |
| -46.90486945 | |
| O -4.1839546762 -0.2278298205 -0.1113494898 | |
| C -2.8953184418 0.0393961996 0.0813802143 | |
| O -2.5331229488 0.9152376268 0.8359851284 | |
| C -1.9819317822 -0.8260588541 -0.7302170340 | |
| C -0.9158880384 -1.5019951915 0.1430741745 | |
| C 0.3190874889 -1.8822929868 -0.6721975312 | |
| C 1.4897825866 -2.3228069828 0.2088008405 | |
| C 2.1598758799 -1.2028508699 1.0168988986 | |
| C 3.3212918759 -0.4931900039 0.3126849046 | |
| C 2.9546018669 0.5849548039 -0.7091966792 | |
| C 2.2041137543 1.7789512146 -0.0985719812 | |
| C 0.7044651938 1.6098735769 -0.1872275107 | |
| O 0.1173808141 1.3813035655 -1.2174741839 | |
| O 0.1003075925 1.7410204532 0.9834164422 | |
| H -0.8742812168 1.5731647473 0.9204470404 | |
| H 2.4882562406 1.9330419361 0.9418945277 | |
| H 2.4459912730 2.6806613043 -0.6654240650 | |
| H 2.3560696449 0.1672268102 -1.5189330627 | |
| H 3.8864593577 0.9468112154 -1.1493719143 | |
| H 3.9424697846 -0.0217731244 1.0795197662 | |
| H 3.9409896433 -1.2423200499 -0.1867539791 | |
| H 2.5654764837 -1.6505335938 1.9276749876 | |
| H 1.4217504948 -0.4661278217 1.3291272348 | |
| H 1.1205944485 -3.0824134401 0.9029234862 | |
| H 2.2442445728 -2.8009278094 -0.4200020687 | |
| H 0.6153904812 -1.0312769306 -1.2827777889 | |
| H 0.0596555811 -2.6991020212 -1.3499415061 | |
| H -1.3363122835 -2.3907643078 0.6188598706 | |
| H -0.6283678729 -0.8123851769 0.9372152032 | |
| H -2.5676904010 -1.5517416798 -1.2918297224 | |
| H -1.4722967830 -0.1536406061 -1.4282845532 | |
| H -4.7461488572 0.3681308884 0.4103253915 | |
| 32 | |
| -46.90484948 | |
| O 1.7271869279 1.1759499411 1.2266821327 | |
| C 2.0338879095 0.8806719724 -0.0246131273 | |
| O 1.6161892598 1.5166625728 -0.9686315072 | |
| C 2.9437341907 -0.3198067766 -0.1393441873 | |
| C 2.3795032011 -1.5464051478 0.5968244711 | |
| C 1.2089744724 -2.2279215183 -0.1218959606 | |
| C 0.1312019619 -1.2215691189 -0.5163113608 | |
| C -1.2283232172 -1.8100969299 -0.9013022927 | |
| C -2.2267777182 -1.9132369117 0.2542776562 | |
| C -2.5284910902 -0.6114577026 1.0118749870 | |
| C -2.7701429805 0.6274602579 0.1277049277 | |
| C -1.4846896310 1.3959868892 -0.0660799104 | |
| O -0.8470748123 1.8616111191 0.8547329707 | |
| O -1.1068731998 1.5051596206 -1.3254235199 | |
| H -0.1866451701 1.8526365215 -1.3906217987 | |
| H -3.1871449992 0.3545086183 -0.8396294829 | |
| H -3.4661791316 1.2942004168 0.6401372276 | |
| H -1.7193223211 -0.3791184624 1.7070109980 | |
| H -3.4198987206 -0.7891616839 1.6162999660 | |
| H -3.1633287775 -2.3007874622 -0.1548687650 | |
| H -1.8646779183 -2.6416934320 0.9833923960 | |
| H -1.0890455659 -2.8057178894 -1.3285060233 | |
| H -1.6649752470 -1.1852009996 -1.6816714726 | |
| H -0.0119084996 -0.5429183797 0.3219355896 | |
| H 0.4994561322 -0.6466353779 -1.3652333800 | |
| H 0.7896178524 -2.9826009392 0.5471184284 | |
| H 1.5721629738 -2.7414157472 -1.0150697406 | |
| H 2.0577929598 -1.2276980388 1.5899233311 | |
| H 3.1846533316 -2.2727347971 0.7238235914 | |
| H 3.1102884719 -0.5361688356 -1.1948328873 | |
| H 3.8967763100 -0.0472644561 0.3190745039 | |
| H 0.9719427773 1.8067336704 1.2619261424 | |
| 32 | |
| -46.90478033 | |
| O 1.8680073002 1.6482214600 -0.7903494477 | |
| C 1.6863114988 1.1826080398 0.4348604320 | |
| O 0.8503184382 1.6299005099 1.1873320712 | |
| C 2.6087477381 0.0405568394 0.7880857527 | |
| C 2.7325225190 -0.9601846403 -0.3666598274 | |
| C 1.3757742893 -1.4818593298 -0.8476547889 | |
| C 0.7412038981 -2.5351601398 0.0664591502 | |
| C -0.7860455118 -2.5283198394 -0.0636068114 | |
| C -1.4119427924 -1.4679728694 0.8488132582 | |
| C -2.7537904317 -0.9196072389 0.3558507169 | |
| C -2.6004034202 0.0809634314 -0.7953113427 | |
| C -1.6615056103 1.2065637310 -0.4326677915 | |
| O -0.8196674794 1.6479440509 -1.1821322905 | |
| O -1.8365629114 1.6658916308 0.7958288585 | |
| H -1.0655576715 2.2000894705 1.0738734494 | |
| H -2.2136584394 -0.3963266286 -1.6966039224 | |
| H -3.5739461499 0.5154008817 -1.0335048436 | |
| H -3.2483551424 -0.4122044989 1.1851025265 | |
| H -3.3937069816 -1.7419557086 0.0302217461 | |
| H -1.5540276436 -1.9010826696 1.8411636580 | |
| H -0.7174434223 -0.6352654696 0.9659971691 | |
| H -1.1889640323 -3.5091493793 0.1963807780 | |
| H -1.0477811406 -2.3366243890 -1.1055129716 | |
| H 1.1355463581 -3.5197701899 -0.1924981396 | |
| H 1.0049400671 -2.3441579002 1.1079862005 | |
| H 1.4989733303 -1.9129084396 -1.8434528689 | |
| H 0.6949371997 -0.6363891296 -0.9531527494 | |
| H 3.3599074084 -1.7952615706 -0.0491725569 | |
| H 3.2284971400 -0.4600003203 -1.1994530968 | |
| H 3.5922156080 0.4571425091 1.0169370838 | |
| H 2.2221539470 -0.4316180107 1.6920886122 | |
| H 1.1043546707 2.1945228303 -1.0649301784 | |
| 32 | |
| -46.90467444 | |
| O 0.1645726708 1.8338709891 -1.0129259403 | |
| C 0.9239636301 1.6660162386 0.0623037901 | |
| O 0.4753371894 1.4989595388 1.1690691898 | |
| C 2.3945274603 1.6996503678 -0.2969450691 | |
| C 3.2380742394 0.6599352373 0.4548862913 | |
| C 2.5554329185 -0.7012008024 0.6060976808 | |
| C 2.0988640389 -1.3155850820 -0.7156911794 | |
| C 1.2684931981 -2.5904818216 -0.5336572800 | |
| C -0.0109033423 -2.4057336909 0.2883473093 | |
| C -1.0334295314 -1.4688665603 -0.3632838012 | |
| C -1.8720635916 -0.7412160099 0.6978606984 | |
| C -2.8112402207 0.2380751107 0.0607050280 | |
| O -2.4776582198 1.2138275605 -0.5733098818 | |
| O -4.0916842609 -0.0673041186 0.2504383472 | |
| H -4.6736211503 0.5859758017 -0.1715858430 | |
| H -2.4433340223 -1.4503247996 1.2958220981 | |
| H -1.1966136916 -0.1708977403 1.3422743088 | |
| H -1.6897925413 -2.0354107699 -1.0271270216 | |
| H -0.5239201106 -0.7205979005 -0.9684613408 | |
| H -0.4675729829 -3.3852166207 0.4452987090 | |
| H 0.2547301274 -2.0189218611 1.2720113995 | |
| H 1.8843901774 -3.3438541720 -0.0366308097 | |
| H 1.0050072184 -2.9780175214 -1.5208494201 | |
| H 1.5150809196 -0.5859360517 -1.2757170097 | |
| H 2.9758576791 -1.5581310025 -1.3213115290 | |
| H 1.6987842482 -0.5634115119 1.2633439404 | |
| H 3.2463111979 -1.3864954928 1.1030685612 | |
| H 3.4545646090 1.0348011671 1.4567092314 | |
| H 4.1869381896 0.5473011468 -0.0740042782 | |
| H 2.4738154509 1.5656434078 -1.3759242991 | |
| H 2.7649248108 2.6998417476 -0.0594636788 | |
| H -0.8010300693 1.7589510396 -0.8066215409 | |
| 32 | |
| -46.90465927 | |
| O -3.9490042771 -0.6036764763 -0.1105899252 | |
| C -2.6619910648 -0.7109776695 0.2069020971 | |
| O -2.0676278935 -1.7610797512 0.1296151496 | |
| C -2.0513039770 0.5941334732 0.6252799760 | |
| C -1.6968548814 1.4038201855 -0.6326765114 | |
| C -0.9285393895 2.6882245100 -0.3137543895 | |
| C 0.4051168278 2.4779218082 0.4082030503 | |
| C 1.3531141704 1.5505291532 -0.3470683716 | |
| C 2.6436958563 1.2725047747 0.4219659589 | |
| C 3.4070699505 0.0701629705 -0.1412819235 | |
| C 2.8785765281 -1.2753223654 0.3741042059 | |
| C 1.4931093406 -1.6020464786 -0.1416781590 | |
| O 1.2142543798 -1.7668534468 -1.3020486363 | |
| O 0.6066326665 -1.6959304034 0.8450652300 | |
| H -0.3038645643 -1.8845053064 0.5094625051 | |
| H 3.5448879134 -2.0678843443 0.0272595087 | |
| H 2.8540311669 -1.2811800865 1.4640571132 | |
| H 4.4579404436 0.1450595748 0.1459678132 | |
| H 3.3535945040 0.0787399838 -1.2312810266 | |
| H 3.2828954966 2.1576048769 0.3848315712 | |
| H 2.4083472782 1.0835716374 1.4722068508 | |
| H 1.5949582897 1.9855499445 -1.3192447849 | |
| H 0.8527297511 0.6040366052 -0.5308301512 | |
| H 0.8817398785 3.4521930719 0.5413596046 | |
| H 0.2238880224 2.0720110630 1.4055196694 | |
| H -1.5589672432 3.3369143173 0.2990910348 | |
| H -0.7403169530 3.2050603960 -1.2573509024 | |
| H -2.6216530134 1.6673723093 -1.1501712204 | |
| H -1.1087660121 0.7806514497 -1.3079241273 | |
| H -2.7640482705 1.1528194128 1.2317458286 | |
| H -1.1526746114 0.3830198324 1.2030226161 | |
| H -4.3028247827 -1.4542454504 -0.4172813977 | |
| 32 | |
| -46.90463979 | |
| O 0.1447718497 1.8400648663 1.1490789294 | |
| C 0.5429392566 1.8162713223 -0.1101862044 | |
| O -0.2138426886 1.9789742496 -1.0434390019 | |
| C 2.0247869443 1.5715433771 -0.2641667203 | |
| C 2.5696850138 0.5236962803 0.7241646595 | |
| C 3.2406741526 -0.6762278884 0.0525885141 | |
| C 2.3107438115 -1.5894509293 -0.7519909162 | |
| C 1.1819232695 -2.2259227042 0.0779396525 | |
| C -0.1823463070 -1.6600195973 -0.3144200593 | |
| C -1.2972387505 -2.0091911515 0.6703638568 | |
| C -2.6505953635 -1.4282823026 0.2207285323 | |
| C -2.4579463718 0.0502480200 0.0017062842 | |
| O -2.3176240691 0.8550670943 0.8968114934 | |
| O -2.3789084832 0.3718613592 -1.2766297679 | |
| H -1.9797730071 1.2613311474 -1.3980906299 | |
| H -2.9708783926 -1.8870946004 -0.7137008253 | |
| H -3.3978214659 -1.5946352997 0.9963357419 | |
| H -1.0514983911 -1.6025584275 1.6538440990 | |
| H -1.3892626631 -3.0927816407 0.7636873395 | |
| H -0.0934515285 -0.5759808105 -0.3765637114 | |
| H -0.4513525977 -2.0202237080 -1.3100081696 | |
| H 1.3579758731 -2.0451199390 1.1398874487 | |
| H 1.1743488617 -3.3079656365 -0.0646644328 | |
| H 1.8723060449 -1.0263194877 -1.5774659755 | |
| H 2.9277834631 -2.3734488631 -1.1952719036 | |
| H 3.7181568324 -1.2725050899 0.8341524269 | |
| H 4.0308141134 -0.3154545001 -0.6106652516 | |
| H 1.7589131623 0.1748608182 1.3629826630 | |
| H 3.3041185611 0.9953886172 1.3786283503 | |
| H 2.2092203461 1.2810380337 -1.2987874356 | |
| H 2.5167861028 2.5330602950 -0.1023521794 | |
| H -0.8395124602 1.8288952953 1.2151293883 | |
| 32 | |
| -46.90454918 | |
| O 3.9744219645 0.6047516495 -0.3663612054 | |
| C 2.7531676673 0.2237546935 0.0038194094 | |
| O 2.5776278054 -0.7588640653 0.6867332032 | |
| C 1.6851508094 1.1306340863 -0.5316128495 | |
| C 0.5749360178 1.4018985698 0.4864506372 | |
| C -0.4681377785 2.3811090278 -0.0588713883 | |
| C -1.8199425477 2.2639936432 0.6638649512 | |
| C -2.9073571624 1.5961271578 -0.1850871888 | |
| C -2.5727867919 0.1879086974 -0.6795175512 | |
| C -2.5978688997 -0.8749030441 0.4185134497 | |
| C -1.9336321130 -2.1807037249 -0.0496361090 | |
| C -0.4504857160 -1.9335037435 -0.1962312827 | |
| O 0.0891243448 -1.5774669049 -1.2157775585 | |
| O 0.1908151131 -2.0829411670 0.9541278584 | |
| H 1.1254345770 -1.7684213068 0.8870396375 | |
| H -2.0885220022 -2.9620498292 0.6937150926 | |
| H -2.3494848430 -2.4875176511 -1.0090607432 | |
| H -3.6307924856 -1.0839356121 0.7045106287 | |
| H -2.0759449736 -0.5181727584 1.3081250050 | |
| H -3.2984449984 -0.0914466327 -1.4473345450 | |
| H -1.5924906671 0.1912531273 -1.1547943903 | |
| H -3.0935714617 2.2285071241 -1.0566605860 | |
| H -3.8319520483 1.5602276544 0.3964966462 | |
| H -1.6879081245 1.7141016894 1.5966992160 | |
| H -2.1801710801 3.2592047454 0.9323176764 | |
| H -0.6151553635 2.1956175386 -1.1239374616 | |
| H -0.0808581861 3.3970580317 0.0365751680 | |
| H 1.0070919520 1.8014364292 1.4067390438 | |
| H 0.0945983014 0.4581218689 0.7349824826 | |
| H 2.1496542811 2.0549604665 -0.8752113124 | |
| H 1.2513148507 0.6118130969 -1.3930455968 | |
| H 4.6464395436 -0.0159665723 -0.0402863108 | |
| 32 | |
| -46.90446647 | |
| O 0.1372089682 1.5287693596 1.3213150975 | |
| C 0.8456570579 1.5120108595 0.2020105057 | |
| O 0.3456899141 1.5023581237 -0.8968491565 | |
| C 2.3355036482 1.5177134326 0.4595976354 | |
| C 3.1222768812 0.8078222512 -0.6434974917 | |
| C 3.1952759410 -0.7148548011 -0.5022227716 | |
| C 1.8579770247 -1.4496449798 -0.6815173315 | |
| C 1.1824201018 -1.7865620007 0.6491825930 | |
| C -0.1481040497 -2.5437917000 0.5070233082 | |
| C -1.3912577473 -1.6670211165 0.6770951881 | |
| C -1.7330588021 -0.8374175935 -0.5674431097 | |
| C -2.6814582176 0.2730821189 -0.2298325371 | |
| O -2.4787806764 1.1266783945 0.6057170259 | |
| O -3.8008543938 0.2452390813 -0.9446983219 | |
| H -4.3784558618 0.9926986734 -0.7186995792 | |
| H -0.8317883689 -0.3588891615 -0.9549076885 | |
| H -2.1678305211 -1.4601362496 -1.3480644759 | |
| H -1.2408317296 -0.9972070520 1.5263478133 | |
| H -2.2478336055 -2.3046456136 0.9099097313 | |
| H -0.1868947261 -3.0476205311 -0.4604422363 | |
| H -0.1907015179 -3.3172809638 1.2765965087 | |
| H 1.0160423694 -0.8772722655 1.2251008946 | |
| H 1.8776618906 -2.4053557842 1.2224531668 | |
| H 1.2026788070 -0.8442052280 -1.3063302889 | |
| H 2.0365895646 -2.3874852916 -1.2135646067 | |
| H 3.6210222872 -0.9669540141 0.4720342352 | |
| H 3.8952666123 -1.0712879341 -1.2613849585 | |
| H 4.1438077184 1.1941017657 -0.6448153926 | |
| H 2.6666805958 1.0610303977 -1.6029513558 | |
| H 2.6306887729 2.5702576644 0.4945664363 | |
| H 2.5318422922 1.0859545748 1.4410449418 | |
| H -0.8358458010 1.4978848027 1.1305964377 | |
| 32 | |
| -46.90441136 | |
| O -0.0781106019 -1.9197089169 0.8603548152 | |
| C -0.9588967454 -1.6658048806 -0.0983916597 | |
| O -0.6420695164 -1.3925794387 -1.2293631035 | |
| C -2.3836928824 -1.7633999990 0.4017187444 | |
| C -3.2823887416 -0.6333509779 -0.1102261826 | |
| C -2.8151667738 0.7543508083 0.3545153098 | |
| C -2.0283673393 1.4983753988 -0.7288949702 | |
| C -1.1726177812 2.6466724817 -0.1887873916 | |
| C 0.0182267588 2.1992048034 0.6625885390 | |
| C 1.0543907510 1.4057171991 -0.1299847239 | |
| C 2.1516090751 0.8442289104 0.7916428200 | |
| C 2.8748571017 -0.2512810222 0.0651296007 | |
| O 2.5041716085 -1.4017796925 0.0134244792 | |
| O 3.9679370303 0.1681409780 -0.5619654104 | |
| H 4.3798260063 -0.5534415713 -1.0648684740 | |
| H 2.8527183189 1.6277094891 1.0758026415 | |
| H 1.6887635826 0.4187502751 1.6835201833 | |
| H 1.5088604517 2.0410646613 -0.8919661089 | |
| H 0.5674079625 0.5749696389 -0.6392515409 | |
| H 0.4958978177 3.0832974684 1.0921200202 | |
| H -0.3379536336 1.5873065946 1.4931150668 | |
| H -1.8026519014 3.3058846164 0.4138715120 | |
| H -0.7982369990 3.2295486455 -1.0334339835 | |
| H -1.3975034990 0.7935807814 -1.2664518249 | |
| H -2.7362681323 1.9069464290 -1.4539343014 | |
| H -2.2002752026 0.6350477366 1.2473826146 | |
| H -3.6784466825 1.3597022266 0.6397360621 | |
| H -4.2944080581 -0.8255883251 0.2509398683 | |
| H -3.3051824206 -0.6644094889 -1.2002753566 | |
| H -2.7770839282 -2.7220034764 0.0529139836 | |
| H -2.3629468789 -1.7800368314 1.4920640364 | |
| H 0.8520285542 -1.8542540005 0.5269153668 | |
| 32 | |
| -46.90436808 | |
| O 0.5130510458 1.6974233042 -0.7552025791 | |
| C 1.3164414345 1.4372234896 0.2691192636 | |
| O 0.9175373717 1.2703266294 1.3941057284 | |
| C 2.7759254167 1.3784447406 -0.1297908841 | |
| C 3.4472310769 0.0972578415 0.3832293051 | |
| C 3.2933863886 -1.1061213541 -0.5533730639 | |
| C 1.8590810051 -1.4112282317 -0.9876466319 | |
| C 0.9298156524 -1.7797540467 0.1692770438 | |
| C -0.5479724660 -1.6538634760 -0.2160083239 | |
| C -1.4113852524 -1.3002592869 0.9945271048 | |
| C -2.8602627038 -1.0111279586 0.6103139862 | |
| C -3.0340653323 0.2858793759 -0.1306810666 | |
| O -2.2035582029 1.1461918706 -0.2880834700 | |
| O -4.2733913417 0.4131258430 -0.6134469487 | |
| H -4.3803095129 1.2624369632 -1.0711515479 | |
| H -3.2755347499 -1.8092974048 -0.0087765968 | |
| H -3.4845182027 -0.9408138350 1.5052149586 | |
| H -0.9920605752 -0.4169041027 1.4801319713 | |
| H -1.3903620724 -2.1220931527 1.7122014361 | |
| H -0.6548061872 -0.8615015808 -0.9590106752 | |
| H -0.9040095862 -2.5804878682 -0.6726528425 | |
| H 1.1187725767 -1.1086895399 1.0050647125 | |
| H 1.1461786430 -2.7933070961 0.5125043322 | |
| H 1.4581705613 -0.5381053111 -1.5038301207 | |
| H 1.8800752714 -2.2297229097 -1.7119281158 | |
| H 3.7153705265 -1.9821641138 -0.0548790574 | |
| H 3.8866556477 -0.9226498917 -1.4532590941 | |
| H 3.0367780132 -0.1300469515 1.3682482222 | |
| H 4.5155384143 0.2835645824 0.5114551175 | |
| H 2.8617096146 1.4688262540 -1.2120635575 | |
| H 3.2600799638 2.2415870241 0.3328345005 | |
| H -0.4305714510 1.6583051391 -0.4847575727 | |