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-0.76263001 0.34597201 1.25978960 C -0.07642939 -0.57902419 2.26345532 C 1.14161861 -0.10360809 2.45908429 C 1.28208928 1.14883120 1.59037596 C -0.15752281 1.68381291 1.71976122 H -1.83940584 0.26049849 1.18035806 H -0.52327255 -1.47026525 2.66274963 H 1.93721786 -0.50929616 3.05577004 H 2.10108953 1.81394459 1.84290188 H -0.42463317 1.95492348 2.73627118 H -0.37648254 2.51119170 1.05198185 C 1.21905020 0.68228565 0.14140105 C -0.00673650 0.20220295 -0.05642285 C -0.48279179 -0.40992335 -1.28629381 O 0.14375290 -0.46526765 -2.31612499 O -1.72241526 -0.91294476 -1.13459309 C -2.25595323 -1.54055465 -2.30567787 H 3.33245601 -0.05682540 -3.35177821 H 2.02506948 0.69109533 -0.56843364 H 2.62975399 -0.15998133 -3.18764934 H -3.24501957 -1.89166346 -2.02826701 H -1.62313744 -2.37090949 -2.60760699 H -2.31566776 -0.82449452 -3.12105229 23 species 57 C 0.11437880 0.52476505 3.59184048 C 1.30372548 0.97726064 3.24616237 C 1.52058840 0.90513521 1.76617298 C 0.10315840 0.66461375 1.22122337 C -0.67682315 0.06911613 2.40484868 H -0.26005021 0.43276010 4.59817801 H 2.07135593 1.31974871 3.92055884 H 2.18768904 0.07489360 1.51955703 H -0.33470423 1.63484553 0.98478899 H -1.71305709 0.40325205 2.41383256 H -0.69781943 -1.02290028 2.35819679 C 0.07807246 -0.19268966 0.01320680 C -0.40242468 0.16686035 -1.16667861 C -0.37055470 -0.77677193 -2.29027750 O 0.06630429 -1.89957804 -2.25839163 O -0.90598458 -0.21364668 -3.39130811 C -0.92180134 -1.05797193 -4.54634872 H 0.48698316 -1.18994129 0.11331190 H 1.96777322 1.80363382 1.34399542 H -0.82639216 1.14558495 -1.34262162 H -1.37522224 -0.46877341 -5.33735755 H -1.50645394 -1.95287856 -4.34911368 H 0.09125859 -1.34731811 -4.81377680 23 species 58 C -1.64729550 -0.15773069 1.50228951 C -0.32798783 -0.57633361 2.10678955 C 0.61556947 0.16939695 1.55230763 C -0.06578512 1.09386546 0.56975735 C -1.39284220 1.33172134 1.28464280 H -2.53583296 -0.43783182 2.05826490 H -0.20989334 -1.40943354 2.77656993 H 1.68166777 0.08758339 1.66330467 H 0.50287235 1.95808210 0.24572739 H -1.27931168 1.88518876 2.21162202 H -2.14208149 1.81584023 0.66366530 C -1.63277575 -0.66545202 0.04580619 C -0.54736174 0.20417391 -0.60517281 C 0.59053136 -0.56821448 -1.19208285 O 0.77298737 -1.75077596 -1.09941914 O 1.41718700 0.26826467 -1.84515068 C 2.57115331 -0.35743463 -2.41737656 H -2.59591351 -0.50781518 -0.43267030 H -1.38090769 -1.71827054 -0.02332121 H -0.96082859 0.83798707 -1.38446595 H 3.16727395 -0.82827047 -1.63953717 H 3.12974810 0.43732942 -2.90199322 H 2.26982673 -1.11187034 -3.13955732 23 species 59 C 0.23169368 -0.89350202 1.00990030 C 1.22492317 -1.17782985 -0.13386683 C 2.24614131 -0.09366870 -0.02383326 C 2.06381978 0.65279049 1.04515579 C 0.88386932 0.21638242 1.85050323 H 0.09133026 -1.78155070 1.61777003 H 1.68767486 -2.15926764 -0.02189054 H 3.03008251 0.00292155 -0.75386605 H 2.68918001 1.47353809 1.35799388 H 0.19487924 1.03837435 2.05211789 H 1.20336721 -0.16131259 2.82190717 C -1.10868975 -0.48018592 0.44446601 C -0.91370530 0.46430187 -0.72418731 C -0.26083210 -0.32048498 -1.82559190 O 0.65029768 -1.23663204 -1.43902646 O -0.53447413 -0.23623774 -2.98906721 C -2.20398825 1.08759244 -1.20236297 H -1.71203254 -0.01272186 1.22144430 H -1.65325123 -1.35726293 0.09592377 H -0.22847920 1.25691872 -0.42650744 H -2.64130776 1.70440318 -0.41775358 H -2.91927607 0.31355842 -1.47834411 H -2.02122269 1.69987544 -2.08088472 23 species 60 C -0.13735667 -0.48457140 0.92974167 C 0.46596851 -0.89338558 -0.42908896 C 1.80822565 -0.23328750 -0.42681613 C 2.15224263 0.15498025 0.78363501 C 1.08513195 -0.14843141 1.79049300 H -0.69706763 -1.30701596 1.36821068 H 0.60517864 -1.98292227 -0.45246644 H 2.39407027 -0.16083192 -1.32642701 H 3.09516188 0.59499554 1.06638982 H 0.89165862 0.68019021 2.47303847 H 1.38058262 -0.99997481 2.40733223 C -1.10091679 0.69461751 0.82337754 C -0.50033293 1.97310585 0.29896970 C -0.80051979 2.40708984 -0.88518732 O -0.28696699 -0.50520421 -1.55423950 O -1.10269622 2.80334769 -1.93295267 C -1.31297624 -1.42014574 -1.87600738 H -1.51434833 0.87303550 1.82120056 H -1.92938306 0.41101678 0.17454724 H 0.25760616 2.49387751 0.86869757 H -2.00311360 -1.56139132 -1.04115640 H -0.89892202 -2.39207887 -2.16028782 H -1.85122666 -0.99701568 -2.72100385 23 species 61 C -1.72782605 -0.06966043 1.32620374 C -1.19025509 -1.19710307 2.17559999 C 0.12446855 -1.21849733 2.01663592 C 0.47690151 -0.10214921 1.06106534 C -0.58190161 0.93278270 1.43092634 H -2.72302700 0.28336878 1.57474636 H -1.80718954 -1.89406916 2.71480982 H 0.83260175 -1.93630821 2.39113989 H 1.51552680 0.21088267 1.05002924 H -0.45215170 1.32831976 2.43371165 H -0.65560591 1.74609585 0.71826129 C -1.57211051 -0.51424771 -0.14206057 C -0.04710086 -0.56567989 -0.32658876 C 0.45113830 0.37871001 -1.37332120 O -0.10885795 1.36985519 -1.75956746 O 1.66087949 -0.01140058 -1.80653949 C 2.26431354 0.86143313 -2.76932103 H -1.99317647 0.22698462 -0.81331523 H -2.04763657 -1.47158669 -0.33717621 H 0.32293291 -1.56031117 -0.55286360 H 3.21816312 0.40893262 -3.02176833 H 2.40833597 1.85050234 -2.34138764 H 1.63157730 0.94314578 -3.64922004 23 species 62 C -1.43835026 0.94044184 0.98111221 C -1.81993800 -0.28668374 0.67753484 C -0.81688786 -1.31176396 1.09113262 C 0.38243294 -0.45092290 1.52488952 C -0.11225853 0.97666027 1.68487572 H -2.00515420 1.83879813 0.79096781 H -2.74157061 -0.56326208 0.18928891 H -1.23188141 -2.02447625 1.79848607 H 0.93206357 -0.80933021 2.38711840 H -0.24464505 1.23302059 2.73827415 H 0.58318909 1.69871349 1.26498097 C 0.01989389 -1.90829579 -0.04267364 C 1.09372212 -0.84167670 0.20311576 C 1.21969664 0.28470378 -0.76618234 O 2.00481703 1.18787183 -0.63165973 O 0.37252979 0.18714267 -1.80006930 C 0.43315867 1.27641871 -2.72862022 H 0.38297113 -2.90528353 0.18593212 H -0.43041713 -1.90985325 -1.02632199 H 2.09852368 -1.22250538 0.35460347 H -0.28775604 1.04192097 -3.50572416 H 1.43440971 1.36259242 -3.14229794 H 0.17145082 2.20576910 -2.22876326 23 species 63 C -0.75956139 -1.10830024 2.13894223 C 0.47290359 -0.88994112 1.72392929 C 0.58219776 0.40961162 0.98790213 C -0.88975187 0.74978107 0.66197085 C -1.68747834 -0.00279619 1.74002753 H -1.08464972 -1.94274425 2.73861646 H 1.33311032 -1.50927129 1.90927247 H 0.99217070 1.17849523 1.64469117 H -1.05200112 1.82599419 0.69937315 H -1.90109490 0.63955430 2.59683221 H -2.64506786 -0.35662490 1.36003755 C -1.66758297 1.03592065 -1.67729215 C -1.27443528 0.25510945 -0.69466923 C 1.41720406 0.43564108 -0.25488217 O 1.87860712 1.43671544 -0.73290090 O 1.56898084 -0.78839833 -0.78190722 C 2.27091997 -0.81499906 -2.03056917 H -1.72425900 2.11044955 -1.55703147 H -1.94300744 0.64377600 -2.64612492 H -1.20384226 -0.81499209 -0.82391498 H 2.31548734 -1.85946597 -2.32313389 H 3.26998551 -0.40485505 -1.90911405 H 1.73116197 -0.22866108 -2.77005389 23 step 0 transition state C 0.20881424 -0.04577942 0.73590443 C 0.63572791 -1.01823329 1.60848318 C 1.21649235 -0.36334813 2.75418105 C 1.22286379 0.96669984 2.60887554 C 0.61768548 1.31615563 1.28507830 H -0.97488184 0.01019588 0.37414477 H 0.50204449 -2.07892328 1.49938987 H 1.59077317 -0.90586879 3.61252317 H 1.58985061 1.70470726 3.29775708 H -0.23445919 1.99290889 1.37210632 H 1.33345392 1.80785715 0.62639322 C -2.85216568 -1.10384833 -2.23091642 C -1.79500996 -1.13147971 -1.43860997 C -1.11864678 0.12873576 -1.06258041 O -1.28434014 1.23035955 -1.49616707 O 0.50084004 -0.31723820 -0.81474326 C 1.52028667 0.37993884 -1.51326543 H -3.20244164 -0.16354410 -2.62967739 H -3.39385158 -1.99717787 -2.50117949 H -1.40263611 -2.03943403 -1.00770103 H 1.67468250 -0.12755456 -2.46512820 H 2.43360161 0.34463270 -0.92113924 H 1.21131612 1.41023821 -1.69372905 23 step 1 transition state C 0.70012439 -0.64184305 1.36143295 C 0.99499149 0.65189685 1.80847556 C -0.14865176 1.40676292 1.74660190 C -1.19926102 0.59260083 1.17942958 C -0.76512265 -0.82961064 1.49814053 H 1.40401716 -1.45143313 1.29937819 H 1.98249048 1.02544096 2.02239727 H -0.23116128 2.45849177 1.94766892 H -2.22720381 0.86665942 1.38722132 H -1.03865327 -1.05296145 2.53045396 H -1.18841194 -1.59310398 0.85552675 C -1.23785087 1.75961804 -1.12243259 C -1.04164098 0.55772705 -0.48539658 C 0.48050353 -0.05800512 -0.72810588 O 1.44046978 0.61918968 -1.01442809 O 0.27918675 -1.30573212 -1.28687901 C 1.31566461 -1.72966268 -2.16647747 H -0.63788462 2.61220267 -0.85824876 H -1.88029014 1.85501041 -1.97769156 H -1.71055249 -0.21920373 -0.83949734 H 1.41559924 -1.03187365 -2.99566971 H 1.02774723 -2.71463131 -2.52540661 H 2.26589016 -1.77753973 -1.63649335 23 step 2 transition state C -1.28560793 -0.35932355 1.26369324 C -0.24796198 -1.13246714 1.88905896 C 0.91919107 -0.40693140 1.80959764 C 0.63441370 0.83790314 1.23638489 C -0.83150821 1.07259973 1.39033941 H -2.32079703 -0.60058837 1.46080955 H -0.34409946 -2.15910475 2.19157311 H 1.90554960 -0.77352034 2.04193666 H 1.34495596 1.63670541 1.12709367 H -1.06662717 1.44254377 2.38889756 H -1.24741131 1.75180867 0.65613293 C -2.06493176 -0.51459974 -1.20362411 C -0.96168308 -0.67603382 -0.41594408 C 0.26841689 0.38493896 -0.75305634 O 0.08626283 1.46365549 -1.28299455 O 1.33123376 -0.42041374 -1.11337985 C 2.18993501 0.14325125 -2.09771947 H -2.60607533 0.41611956 -1.19937637 H -2.41023727 -1.27558850 -1.87892633 H -0.51903829 -1.66201810 -0.48451182 H 1.63225134 0.36156633 -3.00665288 H 2.96115787 -0.59887250 -2.28845104 H 2.63261080 1.06836964 -1.73088074 23 step 3 transition state C -0.84103959 0.45947584 0.97569392 C -0.78770511 -0.57938136 1.93416469 C 0.47695274 -0.61949359 2.49565781 C 1.20957992 0.43573491 1.96006231 C 0.25599903 1.41654278 1.38313564 H -1.77972740 0.82463670 0.59005799 H -1.56586823 -1.30505012 2.09386703 H 0.86147263 -1.40100681 3.12844280 H 2.25045716 0.63798045 2.14339757 H -0.12155702 2.06956096 2.17149105 H 0.64432602 2.02669218 0.58190445 C -1.48335928 -1.49161760 -1.86478298 C -0.64513093 -1.42836280 -0.85342951 C 0.10927873 -0.20047789 -0.44243463 O 1.29037148 -0.36489102 -0.00680059 O -0.11515428 0.87287744 -1.34433842 C 0.89590547 0.96564318 -2.33307338 H -1.68596498 -0.61445222 -2.45890532 H -1.98896460 -2.40708547 -2.13584410 H -0.41842717 -2.28974895 -0.24338914 H 0.94605625 0.04767871 -2.92296683 H 1.86851414 1.14239799 -1.87678384 H 0.62398501 1.80234670 -2.97512650 23 step 4 transition state C -1.63269586 -0.20958574 1.36632099 C -0.67880869 -1.12069905 1.92720709 C 0.59683301 -0.59042541 1.85804493 C 0.48581906 0.75358422 1.50954160 C -0.94226155 1.13900293 1.48443846 H -2.64472199 -0.26069073 1.74932302 H -0.91626935 -2.12718457 2.22522662 H 1.51450294 -1.12156687 2.04721506 H 1.28908598 1.46119744 1.43344006 H -1.19728558 1.59002661 2.44687882 H -1.15915808 1.85232332 0.70194284 C -1.75544662 -0.53860132 -0.28286791 C -0.55461657 -0.89150308 -1.02057089 C 0.45195563 -0.00294960 -1.30839159 O 0.68943857 1.10559833 -0.76652472 O 1.28844904 -0.45130662 -2.30163858 C 2.38473922 0.40024188 -2.59491643 H -2.21323652 0.39860603 -0.60736446 H -2.49269281 -1.34116163 -0.35203133 H -0.50865060 -1.86425950 -1.48126065 H 2.95957396 -0.11012357 -3.36449061 H 2.99753800 0.56481070 -1.70983995 H 2.03790881 1.36466622 -2.95968237 23 step 5 transition state C 0.05671846 0.63234179 0.09425809 C 0.31501736 -0.47417267 0.88036691 C 0.01701074 -0.54508658 2.30898878 C -0.14065292 0.45102573 3.17433480 C -0.03512149 1.90719127 2.89042259 H 0.41456763 2.06851909 1.91632661 H 0.82845811 -1.34557894 0.50585678 H -0.06322990 -1.55518283 2.69938711 H -0.36318971 0.19420931 4.20359777 H -1.02488220 2.37105200 2.88074185 H 0.54771808 2.40461537 3.66736082 C -1.62906675 -0.97782443 -0.26662037 C -1.11793300 -1.23680265 -1.54079954 C -0.11445602 -0.42709289 -2.03659946 O 0.59030381 0.34574214 -1.28554476 O 0.25596052 -0.56656192 -3.30493620 C 1.48367613 0.07651239 -3.68521604 H -2.04599341 -0.02457150 0.00350669 H -2.01056213 -1.80983461 0.32048841 H -1.29892374 -2.16748388 -2.05119160 H 1.61189739 -0.15653078 -4.73686837 H 2.31330755 -0.31351156 -3.10204066 H 1.40937550 1.14902616 -3.53582022 23 step 6 transition state C -1.55343294 -0.05092705 1.27184597 C -0.98634161 -1.12970900 2.06715070 C 0.33080787 -0.88102745 2.30740783 C 0.63303598 0.41544982 1.84671900 C -0.50264331 1.02220553 1.26769668 H -2.55273792 0.27319346 1.54401435 H -1.50584077 -2.05026324 2.26681630 H 1.03704886 -1.55786358 2.76254268 H 1.59529232 0.89489879 1.93184057 H -0.78621387 2.01819735 1.58018484 H -0.21993453 1.28014031 0.12536006 C -1.70063820 -0.61879021 -0.25787500 C -0.45043220 -0.96304181 -0.93026393 C 0.32463662 0.03419254 -1.43922328 O 0.08075387 1.27211728 -1.26406137 O 1.44181383 -0.35084650 -2.11753774 C 2.22228536 0.71529174 -2.64665535 H -2.18669275 0.21239260 -0.77003235 H -2.38361475 -1.46664527 -0.20056237 H -0.11770029 -1.98522766 -0.99148644 H 3.02567403 0.24091735 -3.20440443 H 2.63192323 1.33202423 -1.84780478 H 1.62295118 1.34332076 -3.30167194 23 step 7 transition state C -1.59555195 -1.45832965 3.11555288 C -0.39251688 -0.82955043 3.10546021 C 0.08673989 0.15024264 2.24085240 C -0.75653220 0.89488194 1.33162675 C -1.93871396 0.24438389 0.79315636 H -2.26920873 -1.45366897 2.28000849 H 0.27917188 -1.06136160 3.92845351 H 1.13409671 0.40889648 2.25549756 H -0.92721795 1.91918334 1.67193110 H -2.86309529 0.76956891 0.63949198 H -1.87181448 -0.78253724 0.50025870 C -0.32393804 1.01288337 -0.11241566 C 0.60221901 0.23870651 -0.71927966 C 0.91924440 0.48418946 -2.11277364 O 0.45285827 1.35860703 -2.80682655 O 1.83758481 -0.40472817 -2.55523068 C 2.21904307 -0.23356958 -3.92140891 H -1.94059889 -1.94388778 4.01553880 H -0.71122718 1.85109530 -0.67777597 H 1.10213971 -0.56582623 -0.20588154 H 2.65501836 0.75109256 -4.07046327 H 1.35355671 -0.33860533 -4.57100228 H 2.94874273 -1.01166645 -4.12477058 23 step 8 transition state C 1.51051071 0.96886045 0.33820908 C 2.31820669 0.11256317 1.16924799 C 1.64541929 0.13194401 2.49688194 C 0.51349103 0.82033644 2.41794749 C 0.28488636 1.32985996 1.03787163 H 1.80207470 1.37479624 -0.61443987 H 3.39839883 0.12376710 1.14140531 H 2.03064589 -0.39729501 3.35072643 H -0.21076642 0.95152361 3.20357376 H -0.57830166 0.77884774 0.54656591 H 0.04031434 2.38342688 0.93917356 C -3.59300862 -0.69467706 -2.14423984 C -2.32834950 -0.55853830 -2.49345989 C -1.26165401 -0.31068494 -1.48911824 O -1.57680579 -0.24955098 -0.27163019 O -0.08614144 -0.17073976 -1.91532156 C 1.70992791 -0.92336903 0.14779900 H -3.85445958 -0.62780389 -1.09956383 H -4.38444308 -0.87226172 -2.85808984 H -1.99802045 -0.61583299 -3.52082608 H 0.97451041 -0.55505636 -0.64825710 H 1.12653723 -1.64987550 0.69854767 H 2.51702714 -1.35024007 -0.43300336 23 step 9 transition state C 0.11161461 -1.07206925 2.18024341 C 1.22340100 -0.17206428 2.46747985 C 1.43822744 1.00358264 1.91022859 C 1.92857977 2.09461063 1.31918506 C -1.01849299 -0.76715300 1.55871753 H 0.25872492 -2.08477112 2.53840206 H 1.92383148 -0.47063372 3.23950412 H 0.87065560 1.36158539 0.83148433 H 1.52366173 3.03757742 1.68078507 H -1.22869726 0.22839156 1.19863953 H -1.77613863 -1.51455598 1.37661869 C -2.78466297 0.61951230 -1.96066939 C -1.80087353 -0.24239909 -2.15003502 C -0.46118270 0.05064207 -1.61853570 O -0.16295464 1.04838325 -1.00319762 O 0.39081798 -0.93674247 -1.90701297 C 1.72400790 -0.76956161 -1.39599490 H -2.59387334 1.53499803 -1.42210080 H -3.78391270 0.44766487 -2.32860017 H -1.92682648 -1.17256288 -2.68091112 H 2.11524652 0.20525569 -1.67457622 H 2.31063355 -1.56539113 -1.84555079 H 1.71821275 -0.86429932 -0.31410355 23 step 10 transition state C -0.95434498 0.30648698 1.58787635 C -0.09019352 -0.63836518 1.96764087 C 1.22450754 -0.02738120 2.17279994 C 1.14252182 1.27961145 1.91295013 C -0.25491325 1.62161769 1.52211226 H -1.99706946 0.18650029 1.35003921 H -0.30242068 -1.68608601 2.12058209 H 2.10086445 -0.56834667 2.49678910 H 1.93126771 2.00900770 1.97686201 H -0.69856548 2.34508135 2.21167355 H -0.31889713 2.06299468 0.52948648 C -0.65955287 -1.56356859 -1.62985950 C -1.34930752 -0.51088724 -2.28971691 C -1.01690543 0.76574048 -1.88543551 O -1.37059053 1.88471637 -1.78713136 O 0.55666043 0.57594931 -1.45285364 C 0.93522752 -0.79925231 -1.31903901 H -0.96430962 -1.74920304 -0.60657083 H -0.57143362 -2.49735643 -2.17874898 H -1.65529005 -0.59729136 -3.32145477 H 1.03521564 -1.23649256 -0.33029179 H 1.73785918 0.03861322 -0.91985729 H 1.53966987 -1.20208895 -2.12785237 23 step 11 transition state C -1.70204831 0.24947101 2.14298306 C -0.94885424 -0.82975177 2.36541943 C 0.44317705 -0.51663175 2.04196682 C 0.52085386 0.75149988 1.63160689 C -0.83803775 1.36599530 1.65947984 H -2.76423794 0.34560925 2.28748251 H -1.28660868 -1.78951201 2.72644274 H 1.25936768 -1.21802790 2.12762379 H 1.39669332 1.28237419 1.30409608 H -0.87756965 2.22789863 2.33104892 H -1.12981709 1.73116071 0.67497265 C -1.71312521 -0.67999576 -1.28646122 C -0.39184430 -0.64570636 -1.23720094 C 0.30495098 0.61042627 -1.55311978 O -0.23474550 1.66998089 -1.71441796 O 1.67265448 0.57826533 -1.63949040 C 2.30267036 -0.61562291 -1.93590824 H -2.26394115 0.19985939 -1.58425434 H -2.27463972 -1.56510460 -1.03022077 H 0.19977454 -1.49279696 -0.93670649 H 2.78310030 -0.29846193 -3.50172068 H 2.18458743 -0.90019438 -3.15747911 H 3.35763954 -0.46073452 -1.71614282 23 step 12 transition state C -1.04895049 0.03201449 3.22384660 C 0.21125713 0.45656380 2.93351243 C 0.39794059 0.41210534 1.54774259 C -0.79177369 -0.09726797 0.87061679 C -1.82086939 -0.23494865 1.99232843 H -1.46047130 -0.09240290 4.21009733 H 0.95644352 0.75761482 3.65163378 H 1.27449995 0.64281899 0.97702127 H -0.55456933 -1.06095675 0.41213565 H -2.61063461 0.51200489 1.88783608 H -2.32124972 -1.20260518 2.01042905 C -1.17600994 0.80726001 -0.29170557 C -0.43704726 0.54957946 -1.54761223 C 0.75765886 -0.13470349 -1.70229712 O 1.53114548 -0.57802065 -0.84274120 O 1.07295675 -0.26022347 -3.04671747 C 2.31781451 -0.88906595 -3.29822271 H -2.23892903 0.62417606 -0.46460357 H -1.11119275 1.86950808 0.02244262 H -0.83981153 1.02661584 -2.42613301 H 2.42805768 -0.91181316 -4.38042780 H 2.32985190 -1.90005898 -2.89413825 H 3.13388268 -0.32819462 -2.84504367 23 step 13 transition state C -0.57754915 0.93710958 2.43950692 C -0.16940761 2.21227225 2.24543164 C 1.13663732 2.18807368 1.67762314 C 1.50925467 0.88141782 1.39917939 C 0.46386890 -0.01752063 2.00550724 H -1.53200870 0.62123921 2.82130941 H -0.72960019 3.10588892 2.46433866 H 1.72516379 3.06031281 1.44989489 H 2.53862708 0.57598877 1.33286613 H 0.06795153 -0.75277856 1.30244056 H 0.86539120 -0.57315911 2.85486577 C -1.87965449 -2.88431608 -2.69883000 C -1.18676859 -1.79702666 -2.97382732 C -0.45144462 -1.05430163 -1.91061056 O -0.50387437 -1.46669440 -0.73208539 O 0.18619523 -0.03224680 -2.30426441 C 1.03879978 0.79501313 -0.43051904 H -1.90899957 -3.23459467 -1.67858165 H -2.42026906 -3.44441171 -3.44827079 H -1.11154992 -1.39089930 -3.97197623 H 1.56907145 1.56619364 -0.97867449 H -0.02672640 0.91646880 -0.32746914 H 1.39689170 -0.21202906 -0.53785471 23 step 14 transition state C -0.04571636 -0.45832285 1.60549305 C 1.21153271 -0.82767432 1.86455345 C 1.98278020 0.35157867 2.26019369 C 1.18589991 1.42206803 2.23459076 C -0.18792253 1.01031292 1.82430527 H -0.85798470 -1.08578122 1.28252966 H 1.61577559 -1.82631592 1.80207951 H 3.02770166 0.33100037 2.53015718 H 1.44794678 2.43751466 2.47584932 H -0.91873047 1.22772449 2.60866678 H -0.54238323 1.52833948 0.93364670 C -1.91458488 -1.12023247 -2.74721901 C -2.32509350 -0.55199147 -1.47958238 C -1.52853768 0.53817013 -1.60124034 O -1.33056136 1.69666018 -1.31019775 O 1.25455116 -1.04158289 -1.86900935 C 1.71394917 -0.21354300 -1.12364121 H -2.64826004 -1.42701385 -3.49112233 H -0.96433523 -1.62517925 -2.83801494 H -3.05914369 -0.87882472 -0.76411389 H 2.68428925 -0.34056759 -0.62621670 H -1.00218474 0.12858200 -2.68074973 H 1.20101200 0.72507862 -0.89095776 23 step 15 transition state C -0.28736075 0.89651272 3.63513546 C 0.28744560 -0.60469231 0.02168003 C -0.17691807 -0.02368090 1.06630754 C -0.54801272 0.33339616 2.32879234 C -1.46504722 0.33636812 3.44726804 H 0.40723779 1.36664456 4.30396546 H 0.96939093 -2.53287746 1.73481842 H 1.15303750 -3.02336331 2.24594562 H -0.11190221 1.79595005 -2.08655214 H -2.40758737 0.02681336 3.85536934 H -0.73190197 1.12274783 1.17630067 C -2.16806083 -0.03262275 -2.26879945 C -1.01465835 -0.60994590 -2.01433606 C 0.13753029 0.05906325 -1.31550147 O -0.05987999 1.45454978 -1.19082703 O 1.25159246 -0.15730936 -2.16311385 C 2.48934825 0.14451216 -1.54701914 H -2.35717544 0.99428386 -1.99057671 H -2.97349529 -0.55998329 -2.75820996 H -0.81867319 -1.63709041 -2.27353862 H 2.53428023 1.19580347 -1.25721080 H 3.26036384 -0.06679059 -2.28501000 H 2.63044652 -0.47828901 -0.66488770 23 step 16 transition state C -0.77341220 0.55696796 1.25381712 C -0.20048217 -0.64976908 1.60554088 C 1.16687051 -0.45937626 1.80593579 C 1.49026719 0.87294544 1.53645752 C 0.19421314 1.63838667 1.62340532 H -1.82106400 0.72701293 1.06735810 H -0.69346348 -1.60678139 1.60405163 H 1.87562487 -1.24467758 2.00391220 H 2.43314658 1.31416136 1.82185968 H 0.02623601 1.91210750 2.66770404 H 0.13819665 2.54569019 1.03230090 C 1.53555428 0.89587902 -0.48332184 C 0.21780954 0.73329151 -0.88802228 C -0.20901030 -0.57691006 -1.34437358 O 0.42502385 -1.60098314 -1.23876291 O -1.44232358 -0.52360825 -1.90458122 C -1.93741967 -1.78165440 -2.36218259 H 2.19641462 0.06120280 -0.66537169 H 1.98962575 1.87465293 -0.56053870 H -0.40760093 1.57254897 -1.14138332 H -2.02894146 -2.47732519 -1.53115797 H -1.26484905 -2.20597353 -3.10314074 H -2.91041815 -1.57778740 -2.79950532 23 step 17 transition state C -0.64471368 0.75786975 1.01647469 C -0.26343094 -0.55753757 1.65465960 C 1.04934677 -0.54076802 1.83999991 C 1.55219267 0.78633696 1.33079684 C 0.37005402 1.68792042 1.67623416 H -1.69137178 1.03975987 1.08892761 H -0.94491849 -1.37625092 1.80231279 H 1.68700407 -1.33719345 2.18205525 H 2.53400630 1.09112329 1.68114931 H 0.21592373 1.79823252 2.74594060 H 0.42075204 2.66771640 1.20784547 C 1.43244041 0.75434052 -0.21203423 C -0.10255835 0.74266473 -0.41724920 C -0.56518464 -0.23848832 -1.33773012 O -0.35980805 0.16829610 -2.53615149 O -1.19521205 -1.34326172 -1.05934284 C -1.71748177 -2.07692592 -2.18845445 H 1.93762844 -0.11347612 -0.63998467 H 1.90693580 1.64531253 -0.62531077 H -0.08658118 1.22283367 -1.86259736 H -2.32014609 -2.87255869 -1.76363056 H -0.89753975 -2.48516240 -2.77184718 H -2.31733749 -1.42078362 -2.81206337 23 step 18 transition state C -0.66260059 0.39548130 1.17405896 C 0.16413925 -0.73538548 1.76550770 C 1.41294978 -0.30287693 1.85054793 C 1.44252442 1.11616400 1.31068713 C 0.06138918 1.59760828 1.79544736 H -1.73895237 0.32306545 1.28536166 H -0.21455000 -1.72026132 1.97193946 H 2.29377923 -0.83957509 2.15353535 H 2.30814951 1.71373447 1.57815542 H -0.00290412 1.64265654 2.87881755 H -0.24579084 2.54795315 1.36983039 C 1.13794420 1.02663467 -0.18937722 C -0.18772373 0.55600471 -0.25908554 C -0.57383671 -0.19358796 -1.35465997 O 0.19957427 -0.37058919 -2.32692327 O -1.75112926 -0.84503022 -1.25148158 C -2.09116309 -1.65180015 -2.38059280 H 1.95736503 -0.06692332 -0.90546884 H 1.52915116 1.76762774 -0.86488416 H 1.52459989 -0.39789630 -1.64377340 H -3.08372573 -2.04060188 -2.17221021 H -1.38194060 -2.46815771 -2.49656580 H -2.09724889 -1.05424475 -3.28886611 23 step 19 transition state C 0.05446853 0.80299725 3.61989012 C 1.29133093 1.11563728 3.20936192 C 1.44832929 0.60355716 1.84813860 C 0.06333914 0.50630273 1.34355907 C -0.78633638 0.14505119 2.54374866 H -0.30256398 0.89368172 4.63302395 H 2.07595455 1.50478101 3.83747533 H 2.10335810 -0.24981844 1.74566179 H -0.25405307 1.51537027 1.07327209 H -1.80743308 0.51809663 2.49314379 H -0.83624726 -0.93196295 2.73547101 C 0.39358746 -0.11715401 0.00837977 C -0.41277952 0.11626223 -1.09952019 C -0.19085424 -0.63543136 -2.30695635 O 0.63506644 -1.51065083 -2.45805510 O -1.04695066 -0.24738501 -3.28498714 C -0.90425956 -0.96221741 -4.51238915 H 0.83004124 -1.11616766 0.03563425 H 1.43701794 0.55385489 0.08389165 H -1.16062372 0.89219239 -1.09429085 H -1.64694199 -0.54554196 -5.18663020 H -1.08092157 -2.02345773 -4.35435888 H 0.09747140 -0.82799742 -4.91346414 23 step 20 transition state C -1.06333952 -0.30310558 1.12846713 C 0.35431916 -0.27769183 1.24310501 C 0.75763863 0.90352411 1.94704952 C -0.33112849 1.55415237 2.38693932 C -1.55652841 0.76058894 2.10397484 H -1.55134744 -1.26801031 1.16864867 H 1.00414119 -1.09954773 1.01373202 H 1.78288652 1.21702540 2.05433426 H -0.35228607 2.50320564 2.89360724 H -1.89347039 0.26711546 3.01787487 H -2.38999825 1.35866417 1.74271369 C -1.53332082 0.28969957 -0.46948681 C -0.97934856 -0.46998645 -1.52110568 C 0.40443211 -0.40979978 -1.62082679 O 1.10217050 0.27691190 -0.85687467 O 0.95814774 -1.22333782 -2.56469636 C 2.37270989 -1.12268596 -2.67668472 H -1.10523164 1.28677026 -0.36819987 H -2.61913653 0.28518702 -0.41549602 H -1.54110141 -1.21021543 -2.06389398 H 2.66994963 -0.09364654 -2.86589503 H 2.65044262 -1.75960636 -3.51232643 H 2.85939954 -1.46521103 -1.76496021 23 step 21 transition state C -1.35979684 -0.26634847 1.29397225 C 0.03116355 -0.67595420 1.51498574 C 0.86648784 0.44845466 1.39138709 C 0.10762934 1.53459207 1.08853484 C -1.32060668 1.25531627 1.40152867 H -2.07587935 -0.76409971 1.94092503 H 0.32061934 -1.63977884 1.88830200 H 1.94233113 0.40912638 1.40297697 H 0.47468037 2.50818903 0.80836347 H -1.53319807 1.56679563 2.42574411 H -2.03297129 1.75464777 0.75261641 C -1.82334897 -0.57721209 -0.22097238 C -0.93099712 0.04991033 -1.17961588 C 0.32426779 -0.51375347 -1.22423544 O 0.65029750 -1.43924787 -0.44833871 O 1.21900093 0.04702630 -2.08777072 C 2.50087301 -0.56869410 -2.08888751 H -2.85238547 -0.23081040 -0.30366666 H -1.78289537 -1.66177357 -0.29175634 H -1.20355523 0.90704687 -1.76899291 H 2.99334526 -0.44018889 -1.12620172 H 3.06867624 -0.07049571 -2.87059984 H 2.41626210 -1.63274797 -2.29829848 23 step 22 transition state C 0.36251292 -0.74971529 1.24861659 C 0.96323810 -1.19956250 -0.09474686 C 2.31183576 -0.55819727 -0.12532134 C 2.49623622 0.26094926 0.88936952 C 1.31926657 0.31238750 1.80705837 H 0.34630130 -1.59838822 1.92740286 H 1.01535151 -2.28729123 -0.16565782 H 2.99635504 -0.73973172 -0.93524210 H 3.37635506 0.85941743 1.06677020 H 0.86922232 1.30605383 1.79708249 H 1.59518315 0.10197264 2.84028089 C -1.05380027 -0.23746806 1.05197312 C -1.06112345 0.75135719 -0.06419901 C -0.33866960 0.44956170 -1.19622426 O 0.20141991 -0.81786551 -1.24191299 O -0.31601242 1.10987056 -2.25307571 C -2.59097454 0.55746308 -2.36370480 H -1.42884848 0.20033320 1.97731195 H -1.69404214 -1.09233468 0.81875833 H -1.45847231 1.74024443 0.08304429 H -3.49008206 0.50975670 -2.96682742 H -2.05309693 -0.35440122 -2.22335407 H -2.36815567 1.47558818 -1.87740224 23 step 23 transition state C 0.13824015 -0.54863238 1.07162265 C 0.65071261 -0.97674964 -0.30542735 C 2.11586903 -0.69135403 -0.25146646 C 2.42464383 0.04934470 0.79468578 C 1.23418438 0.35630111 1.64463135 H 0.08087625 -1.43831263 1.69572676 H 0.41825310 -2.02293141 -0.52190133 H 2.78133711 -1.00262834 -1.03775920 H 3.40402970 0.43739668 1.02597420 H 0.97153159 1.40995394 1.55556016 H 1.40748205 0.15633052 2.70185923 C -1.22982066 0.10977242 1.00359093 C -1.25821435 1.15320824 -0.07391997 C -0.30915383 1.16819361 -1.07371970 O 0.08579967 -0.22901475 -1.38447528 O 0.15000802 2.00719799 -1.80334886 C -1.83465781 -0.42092885 -1.90940746 H -1.44551459 0.57338233 1.96857988 H -1.98929787 -0.67353562 0.88092679 H -1.75788388 2.08447811 0.13776990 H -2.61022638 -0.52878985 -1.16656274 H -1.47833363 -1.35441388 -2.32771728 H -1.94986450 0.38173174 -2.62522201 23 step 24 transition state C 0.15311803 -0.77825243 1.30661100 C 0.43508513 -1.12098559 -0.10364413 C 1.54974155 -0.34756916 -0.54949241 C 1.96968531 0.45260841 0.44705145 C 1.34707170 0.07044667 1.74029354 H -0.00022870 -1.66113258 1.92056701 H 0.15411865 -2.07431752 -0.52183243 H 1.93158839 -0.35076430 -1.55581475 H 2.72373329 1.21795204 0.36353580 H 1.06391010 0.91941260 2.35474857 H 2.05478874 -0.52965350 2.31529330 C -1.16032469 0.10703037 1.43086070 C -1.07796975 1.31052198 0.60288448 C -0.98330658 1.19412992 -0.75671394 O -1.01864232 -0.23997876 -1.06899939 O -0.84983815 1.97723626 -1.67876286 C -0.98895830 -0.50983896 -2.46806033 H -1.27986041 0.35274230 2.48661063 H -1.97207103 -0.55829144 1.13858427 H -1.07448297 2.29529503 1.03676476 H -1.87516200 -0.07453686 -2.92003597 H -0.98774809 -1.59181875 -2.59010935 H -0.11424791 -0.06023573 -2.93033994 23 step 25 transition state C -1.49674378 0.32274258 1.98060080 C -1.06855119 -1.03324671 2.31583100 C 0.19464868 -1.17586231 1.87243084 C 0.63727248 0.11095402 1.33302713 C -0.35274030 1.03408063 1.54858805 H -2.39742211 0.77919910 2.35908683 H -1.70486050 -1.79131991 2.73893346 H 0.79348648 -2.07201714 1.88804231 H 1.63048971 0.30631434 0.96220281 H -0.33191556 2.06952964 1.26209585 H -1.87665841 -0.12060482 0.60115983 C -1.72758119 -0.57249552 -0.58335466 C -0.35718272 -0.75355724 -0.78957741 C 0.39574236 0.30761645 -1.46000999 O -0.03045910 1.40342378 -1.73338115 O 1.64568451 -0.10508166 -1.76330033 C 2.45322694 0.87995515 -2.41337568 H -2.14986212 0.25181143 -1.14360136 H -2.33966542 -1.46411202 -0.55299801 H 0.10759214 -1.72044938 -0.70482094 H 3.41071654 0.40293358 -2.59848400 H 2.57382892 1.75006832 -1.77238006 H 1.99095362 1.19011770 -3.34671532 23 step 26 transition state C -1.81909886 -0.05318505 2.15515255 C -1.28805945 -1.33701264 2.35687237 C -0.00119790 -1.38273017 1.91684368 C 0.30175064 -0.10715626 1.22078787 C -0.81936331 0.84709588 1.60554461 H -2.78815069 0.26778879 2.49475636 H -1.83088374 -2.15292995 2.81255145 H 0.66672098 -2.22458060 1.93069819 H 1.29559267 0.29671658 1.38512158 H -0.54518272 1.67665660 2.25204110 H -1.15189133 1.30134508 0.63441478 C -1.26713090 -0.07023604 -0.76524197 C 0.10479405 -0.40710549 -0.27602419 C 1.03278449 0.47355343 -1.07382356 O 1.22185877 -0.05320694 -2.29276859 O 1.51979839 1.50299244 -0.69561963 C 1.99914948 0.76052170 -3.18041343 H -2.08739615 -0.18005427 -0.06296256 H -1.46718112 -0.55876491 -1.71037402 H 0.36489318 -1.45226537 -0.49636742 H 2.05593408 0.20848574 -4.11320018 H 2.99150530 0.92418837 -2.76831303 H 1.51075416 1.71988309 -3.32967596 23 step 27 transition state C -1.88721047 0.30089013 1.84201030 C -1.68875197 -1.00591230 2.21374820 C -0.39180157 -1.39295651 1.91814818 C 0.34585873 -0.24671508 1.33462052 C -0.57177819 0.95027037 1.59794656 H -2.82065006 0.83246890 1.86394543 H -2.45682776 -1.67225184 2.57810737 H 0.04838603 -2.35516525 2.10449334 H 1.35441865 -0.08799677 1.70680441 H -0.23173013 1.45818767 2.50583213 H -0.54809169 1.68757650 0.80296115 C -0.89253034 -1.01045221 -0.63894514 C 0.43119397 -0.58560774 -0.17747219 C 1.06075579 0.47108864 -1.05507292 O 1.44161624 1.55183888 -0.69505350 O 1.15362582 0.03270945 -2.32223887 C 1.72499590 0.96992356 -3.24348890 H -1.04640279 -1.03163727 -1.70427005 H -1.75773991 -1.02568948 -0.01982493 H 1.14437907 -1.41343608 -0.18623028 H 1.73138957 0.46994955 -4.20710610 H 2.73533397 1.22929534 -2.93686475 H 1.12156114 1.87362155 -3.28204994 23 step 28 transition state C -1.78343602 0.40487514 2.35428628 C -1.70530516 -0.97228673 2.47253100 C -0.69688347 -1.42647972 1.64043652 C 0.18130787 -0.26209643 1.24797742 C -0.89781236 0.81192138 1.31399188 H -2.49197728 1.04454187 2.85183063 H -2.37554765 -1.59144170 3.04845822 H -0.38915721 -2.45170259 1.52045162 H 1.00363338 -0.07001479 1.94009763 H -0.61244276 1.84334650 1.19338187 H -1.42674115 0.35930582 0.31834971 C -0.91378899 -0.90437414 -0.64614477 C 0.50703673 -0.55687475 -0.19126454 C 1.12796756 0.55809713 -0.96237212 O 1.23066120 1.70232927 -0.61072420 O 1.54564068 0.10328202 -2.15785791 C 2.11264996 1.10085304 -3.01403880 H -1.05383690 -1.95332050 -0.87102629 H -1.28067880 -0.32768762 -1.48911236 H 1.16097812 -1.42284983 -0.26826787 H 2.39648970 0.58241806 -3.92459809 H 2.98116293 1.55211787 -2.54105597 H 1.38007965 1.87604069 -3.22532987 23 step 29 transition state C -0.72060625 -1.16341849 1.89822710 C 0.54159275 -0.72429527 1.68306460 C 0.53049108 0.58734802 1.13524660 C -0.88791904 0.92347895 0.89703322 C -1.70156369 -0.04271461 1.73650874 H -0.99775490 -2.14647271 2.23864981 H 1.43759699 -1.30477056 1.83850303 H 1.31238301 1.31486549 1.21931420 H -1.17337360 1.96626666 0.96076116 H -1.95226074 0.38732737 2.70922118 H -2.63933120 -0.32118987 1.25632107 C -1.62056944 1.11473684 -1.49196883 C -0.86723699 0.40220065 -0.57355919 C 0.70018980 0.40457171 -0.95442896 O 1.32054957 1.35726640 -1.36479959 O 1.07151294 -0.88250383 -1.23338765 C 2.35191884 -1.00912981 -1.84926594 H -2.37882399 1.80852770 -1.17155969 H -1.33061791 1.15229198 -2.52674128 H -0.99762213 -0.67583592 -0.40601405 H 2.49305506 -2.07040171 -2.03543329 H 3.12902638 -0.63128762 -1.18619760 H 2.37936046 -0.44686238 -2.77949365 23 step 30 transition state C -1.22864729 -0.20318311 1.70161943 C 0.15514053 -0.27908845 1.87259839 C 0.75774044 0.79157255 1.21228114 C -0.22728437 1.58568245 0.65402781 C -1.52003720 1.22505743 1.31871520 H -1.92403575 -0.79367470 2.27855344 H 0.68121615 -1.10002903 2.32909708 H 1.81774742 0.91162191 1.06488359 H -0.06204841 2.50219281 0.11227217 H -1.61298761 1.81318416 2.23478524 H -2.41633517 1.38722045 0.73087885 C -1.45640439 -0.89185959 -0.20522498 C -0.91873173 0.10007233 -1.01366198 C 0.38618920 -0.01006011 -1.64947668 O 0.80270786 0.72852133 -2.51063824 O 1.11004224 -1.04690149 -1.15846420 C 2.42114770 -1.16438097 -1.71115852 H -2.53280852 -0.98025115 -0.14409774 H -0.91890235 -1.82356646 -0.13085925 H -1.54937566 0.85083551 -1.46243757 H 2.87197350 -2.02620685 -1.22737056 H 2.99819387 -0.26456513 -1.50979213 H 2.36549954 -1.31219390 -2.78653049 23 step 31 transition state C 0.08051076 -2.10339185 0.89422981 C 0.96668360 -2.56355061 -0.08405115 C 1.75809857 -1.50179429 -0.51821023 C 1.43468544 -0.37300086 0.21447026 C 0.66215620 -0.81617471 1.41344562 H -0.49379200 -2.76397879 1.52553091 H 0.95383780 -3.54709315 -0.52226471 H 2.43923167 -1.53510991 -1.35296843 H 1.91080044 0.59025790 0.13241346 H 1.36921109 -1.05755008 2.21090491 H -0.04624431 -0.09527209 1.79677584 C -1.32042675 -1.17087395 -0.23523089 C -0.68081598 -0.07898513 -0.80929905 C -0.87486461 1.24333410 -0.24233075 O -1.36539156 1.49125182 0.83731531 O -0.42305078 2.20396722 -1.08159623 C -0.58576467 3.53869961 -0.59991464 H -1.60766830 -2.00070167 -0.86509545 H -1.99921758 -0.95174419 0.57786333 H -0.31329876 -0.11995637 -1.82076979 H -0.02715480 3.67995644 0.32249955 H -0.20181218 4.18545852 -1.38315009 H -1.63571331 3.74625204 -0.41056757