84 Energy -313.73902822750819 O -0.17659305 0.77372318 -4.15631498 H -0.45451644 1.12111958 -4.99998984 H 0.24388135 5.35940440 0.47041200 O -0.22531810 2.74420723 -2.26508401 H -0.22792483 1.50594501 -3.51850018 H -0.56660274 4.58413155 1.53678452 O 2.48538438 -0.15444819 -3.56884191 H -1.02760310 3.12352637 -1.88824475 H -1.52705175 -0.95004843 -1.04419360 O 3.66068449 1.61733390 -1.86742090 H 0.29833686 2.42171558 -1.51529996 H -1.90959069 -1.67131489 0.27338391 O 1.79418515 -2.56567063 -2.25176512 H 1.62575844 0.15818788 -3.87452476 H 0.89310943 0.47944546 0.58044296 O 2.13847994 5.48408357 0.08349680 H 2.34211932 -1.05174200 -3.24183113 H -0.24119761 -0.57029322 0.69082654 O -0.77407207 -1.49070116 -2.59161181 H 3.32873095 0.99109495 -2.53128733 H 1.37347547 3.34169467 2.26573831 O 2.40356391 4.04450484 -2.40863841 H 3.40817945 2.50907784 -2.14638403 H 2.81649434 2.73679917 2.23201543 O 0.90049605 -5.18017212 -1.55973605 H 1.60262316 -3.50672410 -2.16628040 H 1.12385264 -4.56993192 0.25611546 O 1.43192909 1.87176836 -0.24801318 H 2.19027419 -2.29774784 -1.40956935 H 1.80631037 -3.33035529 0.85865395 O -1.58518853 -4.10326225 -1.74065473 H 2.64456454 6.25714636 0.32263101 H -2.42182654 2.32863913 0.43792365 O 4.73010691 0.15180286 0.20630739 H 2.31028998 4.81577578 0.76959073 H -2.14812810 0.81154318 0.59460092 O -2.39541947 3.79504914 -0.79716506 H 0.11908888 -1.83855675 -2.45427177 H 3.01576020 0.55985215 3.05801323 O 2.74927544 -1.86139556 0.24569186 H -0.68663273 -0.75311293 -3.20666112 H 4.01156619 0.79596020 1.88895368 O -0.65236941 5.14828399 0.75681250 H 2.36110983 4.59753924 -1.61806346 H -0.31045027 2.58302390 3.50080998 O -1.84481538 -0.80039031 -0.14258212 H 1.49625995 3.75519544 -2.56063822 H -0.94651214 2.51850142 2.09193168 O 0.63077176 -0.33951415 1.02747446 H 0.96745335 -6.05520966 -1.93179216 H -0.64787015 -3.51801093 1.01620268 O 2.26021409 3.45499859 1.89388351 H -0.02269832 -4.89240153 -1.67883918 H -1.88096154 -3.18141943 1.88963352 O 1.14611985 -4.01297087 1.04400454 H 2.20208911 1.73661397 -0.81711895 H 1.36713737 -1.39670419 3.82111020 O -2.22392587 1.64303648 1.08602573 H 1.70908003 2.45633721 0.46830512 H 1.13406383 -0.35571316 2.71486031 O 3.59834332 1.21486334 2.65281194 H -1.48951841 -3.24194267 -2.16700191 H -2.76477215 -2.95759750 4.25466152 O -0.36194422 3.04578283 2.65551289 H -1.78534535 -3.91919891 -0.81267721 H -2.21108974 -1.68097858 3.58111000 O -1.59324263 -3.31430012 0.97760524 H 5.67812305 0.07550567 0.12536035 H 0.06168199 1.42253551 5.78059734 O 1.49109456 -0.46092083 3.61089192 H 4.43332573 0.70510402 -0.53562339 H 0.48960233 0.68557795 4.48772985 O -2.11121003 -2.64794178 3.63302057 H -3.16369019 4.31791223 -1.01034397 H -1.66138260 0.50329818 4.04339409 O -0.14716987 1.32337142 4.85574412 H -1.80544696 4.36309428 -0.26806669 H -2.44072812 0.61478389 2.71701622 O -2.31730353 0.05706537 3.49381194 H 3.51939781 -1.28262260 0.25349222 H 0.93881998 -3.56682720 2.95120936 O 0.74373306 -3.10914645 3.77774362 H 1.99527079 -1.32284722 0.53478664 H -0.21654061 -3.01326397 3.80735944 84 Energy -313.56866907925860 O 3.30429905 -3.55348585 2.16237347 H 3.77174913 -4.05458685 2.82522573 H 4.08830071 2.78376286 -4.79981996 O 2.52181602 0.35936621 -2.85081621 H 2.89524103 -2.79679304 2.62042995 H 5.44988932 2.99704796 -5.49836195 O -0.63465000 2.02803124 1.91829406 H 3.48066487 0.28081149 -2.92712985 H 5.29370703 1.09848389 -3.79074233 O -0.69846354 -2.45105407 3.13345264 H 2.34004155 1.24011228 -2.49309633 H 5.46539537 -0.43979114 -3.64237124 O 1.76531392 0.76420597 1.62575431 H -0.60831822 2.66995816 2.62242740 H 4.15412081 -2.77552605 -3.47818364 O -1.93100905 -0.50711993 1.71095696 H 0.23753425 1.59544580 1.89364535 H 3.82946563 -2.92702338 -1.96483396 O -1.77308724 -0.67846849 -1.08117314 H -1.30601349 -2.74929207 3.80512145 H 1.89526357 -0.49591193 -1.41048532 O 0.99302019 -3.85673206 -3.41041202 H -1.16712220 -1.77041970 2.61869969 H 1.00851315 -1.58039624 -0.71665871 O 0.26216959 2.74854670 -5.51839931 H 2.49813707 1.34998219 1.40046470 H 0.18222933 -3.31794902 -1.85201467 O 1.96733878 -1.49247269 3.31869756 H 1.64911540 0.16961928 0.86696835 H 0.07456641 -3.43742993 -0.28834956 O 3.79181922 2.36151303 0.55861559 H -1.61257773 0.38948532 1.86688032 H -3.41696514 -0.73002452 -4.18457864 O 4.03071851 -2.24631039 -0.21615933 H -2.01488040 -0.59487780 0.75191437 H -1.88748785 -0.95834671 -4.10171420 O 1.97976496 2.76931855 -1.59500118 H -2.20061211 -0.60651016 -1.94259215 H 2.42636062 3.45020166 -3.27444668 O 5.23308187 0.29932998 -0.37365999 H -1.26831985 -1.50555082 -1.09233317 H 1.83604802 3.35403282 -4.69619054 O 4.88868438 2.32774150 -5.11628428 H 1.01107585 -4.75827957 -3.72088588 H -1.22591249 2.21263692 -2.63286835 O 5.33897357 0.37967172 -3.14619435 H 1.91685954 -3.60709707 -3.22817173 H -1.94079880 1.31641425 -3.66658876 O 3.54255634 -3.17870589 -2.85173604 H -0.19826719 3.20402993 -6.21783052 H 5.92594099 -2.40334353 -5.24764174 O 1.65538097 -0.88205702 -0.55629829 H -0.38946107 2.58701270 -4.81172781 H 4.79105908 -1.35730604 -5.37172244 O -0.16909047 -2.89926021 -1.05703549 H 1.96223141 -0.65887600 2.83162507 H -0.01746672 -2.52242659 -4.30571836 O -2.62709630 -0.43543972 -3.74011954 H 1.04662708 -1.78345390 3.35653136 H 0.13763074 -1.16369160 -5.02542076 O 2.64792066 3.54586687 -4.20998687 H 4.38805836 3.00035701 0.93920713 H -0.86737412 0.93999414 -0.98097807 O -1.48829904 2.16295209 -3.56021396 H 4.34108469 1.62138266 0.23855844 H -0.70301706 2.09155237 0.02955084 O 5.27703376 -1.92090981 -4.74249833 H 3.19356104 -1.76598117 -0.31124877 H 4.30058996 0.73678818 -6.03828530 O -0.51606774 -1.79847901 -4.70036196 H 3.93061188 -2.78205122 0.57977110 H 3.01921616 -0.10977938 -6.11643786 O -0.56840395 1.85717353 -0.89618871 H 1.09494576 2.49672895 -1.31264818 H 1.73878094 0.19155159 -4.45471092 O 3.96947340 -0.13225983 -6.29619606 H 2.57128334 2.70637915 -0.83481830 H 0.97210651 1.01774709 -5.51985421 O 1.36039547 0.15149287 -5.34726389 H 4.94759929 -0.61144937 -0.22655954 H 1.54835397 -4.05613514 1.48715768 O 0.61907261 -4.12409977 1.23955414 H 5.40537192 0.37123102 -1.32259978 H 0.12957125 -3.63182278 1.91204790