M6_341_750_D2_0.08_e3 1 9.975000 0.000000 0.000000 4.987500 3.593000 0.000000 -3.704136 0.000000 23.982633 Mg S O H 4 4 40 48 Direct configuration= 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.06104000 0.87792000 0.25000000 0.93896000 0.12208000 0.75000000 0.42263000 0.89284000 0.12308000 0.68453000 0.89284000 0.37692000 0.57737000 0.10716000 0.87692000 0.31547000 0.10716000 0.62308000 0.18182000 0.18668000 0.13601000 0.63150000 0.18668000 0.36399000 0.81818000 0.81332000 0.86399000 0.36850000 0.81332000 0.63601000 0.54714000 0.88252000 0.16642000 0.57034000 0.88252000 0.33358000 0.45286000 0.11748000 0.83358000 0.42966000 0.11748000 0.66642000 0.42171000 0.97732000 0.06833000 0.60097000 0.97732000 0.43167000 0.57829000 0.02268000 0.93167000 0.39903000 0.02268000 0.56833000 0.53480000 0.52966000 0.11916000 0.93554000 0.52966000 0.38084000 0.46520000 0.47034000 0.88084000 0.06446000 0.47034000 0.61916000 0.87147000 0.43180000 0.04683000 0.69673000 0.43180000 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0.56000000 0.72850000 0.53000000 0.56000000 0.77150000 0.99300000 0.69000000 0.16270000 0.31700000 0.69000000 0.33730000 0.00700000 0.31000000 0.83730000 0.68300000 0.31000000 0.66270000 0.80700000 0.06600000 0.15920000 0.12700000 0.06600000 0.34080000 0.19300000 0.93400000 0.84080000 0.87300000 0.93400000 0.65920000 M6_341_750_D2_0.08_e3 1 11.159439 0.000000 0.320232 5.579719 4.091527 0.160116 -3.374041 0.000000 26.085351 Mg S O H 4 4 40 48 Direct configuration= 2 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.05952156 0.88095689 0.25000000 0.94047844 0.11904311 0.75000000 0.42109298 0.89656201 0.12222980 0.68234501 0.89656201 0.37777020 0.57890702 0.10343799 0.87777020 0.31765499 0.10343799 0.62222980 0.17273416 0.19717555 0.13670365 0.63009029 0.19717555 0.36329635 0.82726584 0.80282445 0.86329635 0.36990971 0.80282445 0.63670365 0.55281886 0.88140641 0.16830306 0.56577474 0.88140641 0.33169694 0.44718114 0.11859359 0.83169694 0.43422526 0.11859359 0.66830306 0.42213772 0.97917876 0.06677081 0.59868352 0.97917876 0.43322919 0.57786228 0.02082124 0.93322919 0.40131648 0.02082124 0.56677081 0.53933043 0.51432032 0.11914626 0.94634925 0.51432032 0.38085374 0.46066957 0.48567968 0.88085374 0.05365075 0.48567968 0.61914626 0.97360411 0.24610575 0.01598401 0.78029014 0.24610575 0.48401599 0.02639589 0.75389425 0.98401599 0.21970986 0.75389425 0.51598401 0.08092277 0.89702436 0.05411342 0.02205287 0.89702436 0.44588658 0.91907723 0.10297564 0.94588658 0.97794713 0.10297564 0.55411342 0.89430635 -0.00426767 0.01680594 0.10996132 -0.00426767 0.48319406 0.10569365 0.00426767 0.98319406 0.89003868 0.00426767 0.51680594 0.79530865 0.24091141 0.24481712 0.96377993 0.24091141 0.25518288 0.20469135 0.75908859 0.75518288 0.03622007 0.75908859 0.74481712 0.09659446 0.74486760 0.27856905 0.15853795 0.74486760 0.22143095 0.90340554 0.25513240 0.72143095 0.84146205 0.25513240 0.77856905 0.92814920 0.92539557 0.20919859 0.14645523 0.92539557 0.29080141 0.07185080 0.07460443 0.79080141 0.85354477 0.07460443 0.70919859 0.01965276 0.34084955 0.09623426 0.63949769 0.34084955 0.40376574 -0.01965276 0.65915045 0.90376574 0.36050231 0.65915045 0.59623426 0.57429869 0.83772556 0.06556767 0.58797575 0.83772556 0.43443233 0.42570131 0.16227444 0.93443233 0.41202425 0.16227444 0.56556767 0.34556714 0.21492047 0.06790983 0.43951239 0.21492047 0.43209017 0.65443286 0.78507953 0.93209017 0.56048761 0.78507953 0.56790983 0.36136913 0.60827210 0.10037392 0.03035877 0.60827210 0.39962608 0.63863087 0.39172790 0.89962608 0.96964123 0.39172790 0.60037392 0.59203636 0.40119344 0.07251235 0.00677020 0.40119344 0.42748765 0.40796364 0.59880656 0.92748765 0.99322980 0.59880656 0.57251235 0.66095223 0.01908250 -0.02146998 0.31996527 0.01908250 0.52146998 0.33904777 0.98091750 0.02146998 0.68003473 0.98091750 0.47853002 0.72630995 0.10725584 0.32988474 0.16643422 0.10725584 0.17011526 0.27369005 0.89274416 0.67011526 0.83356578 0.89274416 0.82988474 0.63987599 0.63133714 0.30610313 0.72878687 0.63133714 0.19389687 0.36012401 0.36866286 0.69389687 0.27121313 0.36866286 0.80610313 0.40770641 0.09342973 0.31423240 0.49886387 0.09342973 0.18576760 0.59229359 0.90657027 0.68576760 0.50113613 0.90657027 0.81423240 -0.00691585 0.38288925 0.25536296 0.62402660 0.38288925 0.24463704 0.00691585 0.61711075 0.74463704 0.37597340 0.61711075 0.75536296 0.06647378 0.50374188 0.14698020 0.42978434 0.50374188 0.35301980 -0.06647378 0.49625812 0.85301980 0.57021566 0.49625812 0.64698020 0.72336825 0.20704318 0.14458044 0.06958857 0.20704318 0.35541956 0.27663175 0.79295682 0.85541956 0.93041143 0.79295682 0.64458044 M6_341_750_D2_0.08_e3 1 10.838300 0.000000 0.233407 5.419150 3.956360 0.116704 -3.463541 0.000000 25.515237 Mg S O H 4 4 40 48 Direct configuration= 3 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.05988309 0.88023381 0.25000000 0.94011691 0.11976619 0.75000000 0.42144546 0.89567582 0.12244285 0.68287872 0.89567582 0.37755715 0.57855454 0.10432418 0.87755715 0.31712128 0.10432418 0.62244285 0.17492048 0.19467659 0.13651924 0.63040293 0.19467659 0.36348076 0.82507952 0.80532341 0.86348076 0.36959707 0.80532341 0.63651924 0.55147696 0.88167155 0.16784850 0.56685149 0.88167155 0.33215150 0.44852304 0.11832845 0.83215150 0.43314851 0.11832845 0.66784850 0.42200859 0.97873620 0.06716378 0.59925521 0.97873620 0.43283622 0.57799141 0.02126380 0.93283622 0.40074479 0.02126380 0.56716378 0.53826211 0.51797264 0.11914038 0.94376525 0.51797264 0.38085962 0.46173789 0.48202736 0.88085962 0.05623475 0.48202736 0.61914038 0.94880558 0.29031886 0.02370623 0.76087555 0.29031886 0.47629377 0.05119442 0.70968114 0.97629377 0.23912445 0.70968114 0.52370623 0.11168268 0.83806592 0.05736486 0.05025141 0.83806592 0.44263514 0.88831732 0.16193408 0.94263514 0.94974859 0.16193408 0.55736486 0.86185170 0.02155808 0.01820100 0.11659021 0.02155808 0.48179900 0.13814830 -0.02155808 0.98179900 0.88340979 -0.02155808 0.51820100 0.78202180 0.25221827 0.25415970 0.96575993 0.25221827 0.24584030 0.21797820 0.74778173 0.74584030 0.03424007 0.74778173 0.75415970 0.10721645 0.68251789 0.27932265 0.21026566 0.68251789 0.22067735 0.89278355 0.31748211 0.72067735 0.78973434 0.31748211 0.77932265 0.92605274 0.91482515 0.20183121 0.15912211 0.91482515 0.29816879 0.07394726 0.08517485 0.79816879 0.84087789 0.08517485 0.70183121 0.00298470 0.35207590 0.09102692 0.64493940 0.35207590 0.40897308 -0.00298470 0.64792410 0.90897308 0.35506060 0.64792410 0.59102692 0.61574833 0.78207637 0.06296556 0.60217531 0.78207637 0.43703444 0.38425167 0.21792363 0.93703444 0.39782469 0.21792363 0.56296556 0.32868578 0.27184442 0.06781506 0.39946979 0.27184442 0.43218494 0.67131422 0.72815558 0.93218494 0.60053021 0.72815558 0.56781506 0.34724813 0.61058828 0.09714940 0.04216359 0.61058828 0.40285060 0.65275187 0.38941172 0.90285060 0.95783641 0.38941172 0.59714940 0.61316579 0.36424246 0.06577115 0.02259175 0.36424246 0.43422885 0.38683421 0.63575754 0.93422885 0.97740825 0.63575754 0.56577115 0.67278764 0.02977719 -0.01612954 0.29743517 0.02977719 0.51612954 0.32721236 0.97022281 0.01612954 0.70256483 0.97022281 0.48387046 0.72898051 0.13219504 0.32292236 0.13882446 0.13219504 0.17707764 0.27101949 0.86780496 0.67707764 0.86117554 0.86780496 0.82292236 0.65066541 0.59482813 0.30360152 0.75450646 0.59482813 0.19639848 0.34933459 0.40517187 0.69639848 0.24549354 0.40517187 0.80360152 0.37362317 0.14261335 0.30975416 0.48376348 0.14261335 0.19024584 0.62637683 0.85738665 0.69024584 0.51623652 0.85738665 0.80975416 0.01634613 0.39648711 0.25901651 0.58716677 0.39648711 0.24098349 -0.01634613 0.60351289 0.74098349 0.41283323 0.60351289 0.75901651 0.04881693 0.54808925 0.15084333 0.40309382 0.54808925 0.34915667 -0.04881693 0.45191075 0.84915667 0.59690618 0.45191075 0.65084333 0.74311167 0.17346132 0.14818851 0.08342701 0.17346132 0.35181149 0.25688833 0.82653868 0.85181149 0.91657299 0.82653868 0.64818851 M6_341_750_D2_0.08_e3 1 10.658846 0.000000 0.184889 5.329423 3.880829 0.092445 -3.513553 0.000000 25.196655 Mg S O H 4 4 40 48 Direct configuration= 4 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06009202 0.87981596 0.25000000 0.93990798 0.12018404 0.75000000 0.42165116 0.89516369 0.12256439 0.68318515 0.89516369 0.37743561 0.57834884 0.10483631 0.87743561 0.31681485 0.10483631 0.62256439 0.17618050 0.19323247 0.13641554 0.63058703 0.19323247 0.36358446 0.82381950 0.80676753 0.86358446 0.36941297 0.80676753 0.63641554 0.55069998 0.88182477 0.16758674 0.56747524 0.88182477 0.33241326 0.44930002 0.11817523 0.83241326 0.43252476 0.11817523 0.66758674 0.42193804 0.97848044 0.06738764 0.59958152 0.97848044 0.43261236 0.57806196 0.02151956 0.93261236 0.40041848 0.02151956 0.56738764 0.53764318 0.52008329 0.11913834 0.94227353 0.52008329 0.38086166 0.46235682 0.47991671 0.88086166 0.05772647 0.47991671 0.61913834 0.93454625 0.31586932 0.02811254 0.74958442 0.31586932 0.47188746 0.06545375 0.68413068 0.97188746 0.25041558 0.68413068 0.52811254 0.12948398 0.80399423 0.05922434 0.06652179 0.80399423 0.44077566 0.87051602 0.19600577 0.94077566 0.93347821 0.19600577 0.55922434 0.84314697 0.03648261 0.01896377 0.12037042 0.03648261 0.48103623 0.15685303 -0.03648261 0.98103623 0.87962958 -0.03648261 0.51896377 0.77443865 0.25875243 0.25948295 0.96680892 0.25875243 0.24051705 0.22556135 0.74124757 0.74051705 0.03319108 0.74124757 0.75948295 0.11340192 0.64648642 0.27971725 0.24011167 0.64648642 0.22028275 0.88659808 0.35351358 0.72028275 0.75988833 0.35351358 0.77971725 0.92479260 0.90871658 0.19761002 0.16649083 0.90871658 0.30238998 0.07520740 0.09128342 0.80238998 0.83350917 0.09128342 0.69761002 -0.00667049 0.35856353 0.08803315 0.64810696 0.35856353 0.41196685 0.00667049 0.64143647 0.91196685 0.35189304 0.64143647 0.58803315 0.63965254 0.74991708 0.06150298 0.61043038 0.74991708 0.43849702 0.36034746 0.25008292 0.93849702 0.38956962 0.25008292 0.56150298 0.31890647 0.30474039 0.06778114 0.37635314 0.30474039 0.43221886 0.68109353 0.69525961 0.93221886 0.62364686 0.69525961 0.56778114 0.33908565 0.61192678 0.09528491 0.04898756 0.61192678 0.40471509 0.66091435 0.38807322 0.90471509 0.95101244 0.38807322 0.59528491 0.62531327 0.34288873 0.06192515 0.03179800 0.34288873 0.43807485 0.37468673 0.65711127 0.93807485 0.96820200 0.65711127 0.56192515 0.67963910 0.03595758 -0.01304905 0.28440332 0.03595758 0.51304905 0.32036090 0.96404242 0.01304905 0.71559668 0.96404242 0.48695095 0.73043415 0.14660723 0.31897181 0.12295862 0.14660723 0.18102819 0.26956585 0.85339277 0.68102819 0.87704138 0.85339277 0.81897181 0.65689383 0.57372983 0.30215955 0.76937635 0.57372983 0.19784045 0.34310617 0.42627017 0.69784045 0.23062365 0.42627017 0.80215955 0.35390704 0.17103623 0.30717958 0.47505673 0.17103623 0.19282042 0.64609296 0.82896377 0.69282042 0.52494327 0.82896377 0.80717958 0.02976101 0.40434522 0.26115590 0.56589378 0.40434522 0.23884410 -0.02976101 0.59565478 0.73884410 0.43410622 0.59565478 0.76115590 0.03863737 0.57371729 0.15305786 0.38764534 0.57371729 0.34694214 -0.03863737 0.42628271 0.84694214 0.61235466 0.42628271 0.65305786 0.75454638 0.15405459 0.15025462 0.09139903 0.15405459 0.34974538 0.24545362 0.84594541 0.84974538 0.90860097 0.84594541 0.65025462 M6_341_750_D2_0.08_e3 1 10.316923 0.000000 0.092445 5.158462 3.736915 0.046222 -3.608844 0.000000 24.589644 Mg S O H 4 4 40 48 Direct configuration= 5 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06049785 0.87900429 0.25000000 0.93950215 0.12099571 0.75000000 0.42205297 0.89416891 0.12279870 0.68377812 0.89416891 0.37720130 0.57794703 0.10583109 0.87720130 0.31622188 0.10583109 0.62279870 0.17862420 0.19042733 0.13621730 0.63094847 0.19042733 0.36378270 0.82137580 0.80957267 0.86378270 0.36905153 0.80957267 0.63621730 0.54918905 0.88212240 0.16707933 0.56868855 0.88212240 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0.18862045 0.26684231 0.82539791 0.68862045 0.90775978 0.82539791 0.81137955 0.66898464 0.53274757 0.29936272 0.79826779 0.53274757 0.20063728 0.33101536 0.46725243 0.70063728 0.20173221 0.46725243 0.79936272 0.31558756 0.22624604 0.30219353 0.45816640 0.22624604 0.19780647 0.68441244 0.77375396 0.69780647 0.54183360 0.77375396 0.80219353 0.05578745 0.41960915 0.26534290 0.52460340 0.41960915 0.23465710 -0.05578745 0.58039085 0.73465710 0.47539660 0.58039085 0.76534290 0.01889125 0.62349830 0.15733945 0.35761045 0.62349830 0.34266055 -0.01889125 0.37650170 0.84266055 0.64238955 0.37650170 0.65733945 0.77678574 0.11635813 0.15424676 0.10685613 0.11635813 0.34575324 0.22321426 0.88364187 0.84575324 0.89314387 0.88364187 0.65424676 M6_341_750_D2_0.08_e3 1 10.145962 0.000000 0.046222 5.072981 3.664957 0.023111 -3.656490 0.000000 24.286138 Mg S O H 4 4 40 48 Direct configuration= 6 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06070859 0.87858283 0.25000000 0.93929141 0.12141717 0.75000000 0.42226389 0.89365236 0.12291856 0.68408374 0.89365236 0.37708144 0.57773611 0.10634764 0.87708144 0.31591626 0.10634764 0.62291856 0.17988920 0.18897075 0.13611763 0.63114005 0.18897075 0.36388237 0.82011080 0.81102925 0.86388237 0.36885995 0.81102925 0.63611763 0.54840275 0.88227695 0.16681691 0.56932030 0.88227695 0.33318309 0.45159725 0.11772305 0.83318309 0.43067970 0.11772305 0.66681691 0.42174135 0.97772569 0.06803908 0.60053296 0.97772569 0.43196092 0.57825865 0.02227431 0.93196092 0.39946704 0.02227431 0.56803908 0.53581231 0.52631197 0.11913620 0.93787572 0.52631197 0.38086380 0.46418769 0.47368803 0.88086380 0.06212428 0.47368803 0.61913620 0.89266905 0.39127045 0.04095623 0.71606050 0.39127045 0.45904377 0.10733095 0.60872955 0.95904377 0.28393950 0.60872955 0.54095623 0.18208884 0.70344639 0.06465656 0.11446477 0.70344639 0.43534344 0.81791116 0.29655361 0.93534344 0.88553523 0.29655361 0.56465656 0.78809120 0.08052589 0.02109158 0.13138291 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0.38412321 0.58977955 0.66098235 0.27987246 0.05071620 0.05914519 0.27987246 0.44928380 0.33901765 0.72012754 0.94928380 0.94085481 0.72012754 0.55071620 0.69989223 0.05419633 -0.00397441 0.24591145 0.05419633 0.50397441 0.30010777 0.94580367 0.00397441 0.75408855 0.94580367 0.49602559 0.73446987 0.18913858 0.30752032 0.07639155 0.18913858 0.19247968 0.26553013 0.81086142 0.69247968 0.92360845 0.81086142 0.80752032 0.67525513 0.51146730 0.29791463 0.81327757 0.51146730 0.20208537 0.32474487 0.48853270 0.70208537 0.18672243 0.48853270 0.79791463 0.29566741 0.25491406 0.29961968 0.44941853 0.25491406 0.20038032 0.70433259 0.74508594 0.70038032 0.55058147 0.74508594 0.79961968 0.06927020 0.42753503 0.26754903 0.50319477 0.42753503 0.23245097 -0.06927020 0.57246497 0.73245097 0.49680523 0.57246497 0.76754903 0.00866562 0.64934738 0.15954228 0.34198700 0.64934738 0.34045772 -0.00866562 0.35065262 0.84045772 0.65801300 0.35065262 0.65954228 0.78836233 0.09678403 0.15629812 0.11485365 0.09678403 0.34370188 0.21163767 0.90321597 0.84370188 0.88514635 0.90321597 0.65629812 M6_341_750_D2_0.08_e3 1 10.060481 0.000000 0.023111 5.030240 3.628979 0.011556 -3.680313 0.000000 24.134385 Mg S O H 4 4 40 48 Direct configuration= 7 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06081602 0.87836796 0.25000000 0.93918398 0.12163204 0.75000000 0.42237203 0.89338902 0.12297920 0.68423895 0.89338902 0.37702080 0.57762797 0.10661098 0.87702080 0.31576105 0.10661098 0.62297920 0.18053309 0.18822816 0.13606768 0.63123874 0.18822816 0.36393232 0.81946691 0.81177184 0.86393232 0.36876126 0.81177184 0.63606768 0.54800143 0.88235574 0.16668339 0.56964284 0.88235574 0.33331661 0.45199857 0.11764426 0.83331661 0.43035716 0.11764426 0.66668339 0.42170984 0.97759418 0.06815038 0.60069598 0.97759418 0.43184962 0.57829016 0.02240582 0.93184962 0.39930402 0.02240582 0.56815038 0.53549224 0.52739729 0.11913676 0.93711046 0.52739729 0.38086324 0.46450776 0.47260271 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0.05659991 0.63923381 0.63847609 0.44340009 0.27770990 0.36152391 0.94340009 0.36076619 0.36152391 0.55659991 0.28492363 0.41873417 0.06774726 0.29634220 0.41873417 0.43225274 0.71507637 0.58126583 0.93225274 0.70365780 0.58126583 0.56774726 0.31079173 0.61656507 0.08881951 0.07264320 0.61656507 0.41118049 0.68920827 0.38343493 0.91118049 0.92735680 0.38343493 0.58881951 0.66715456 0.26889207 0.04879691 0.06395336 0.26889207 0.45120309 0.33284544 0.73110793 0.95120309 0.93604664 0.73110793 0.54879691 0.70342952 0.05737437 -0.00239703 0.23919612 0.05737437 0.50239703 0.29657048 0.94262563 0.00239703 0.76080388 0.94262563 0.49760297 0.73511205 0.19654953 0.30557464 0.06833842 0.19654953 0.19442536 0.26488795 0.80345047 0.69442536 0.93166158 0.80345047 0.80557464 0.67844988 0.50061826 0.29717746 0.82093186 0.50061826 0.20282254 0.32155012 0.49938174 0.70282254 0.17906814 0.49938174 0.79717746 0.28550585 0.26952950 0.29831147 0.44496466 0.26952950 0.20168853 0.71449415 0.73047050 0.70168853 0.55503534 0.73047050 0.79831147 0.07613568 0.43157578 0.26868217 0.49228854 0.43157578 0.23131783 -0.07613568 0.56842422 0.73131783 0.50771146 0.56842422 0.76868217 0.00345970 0.66252568 0.16065996 0.33401462 0.66252568 0.33934004 -0.00345970 0.33747432 0.83934004 0.66598538 0.33747432 0.66065996 0.79427181 0.08680481 0.15733827 0.11892337 0.08680481 0.34266173 0.20572819 0.91319519 0.84266173 0.88107663 0.91319519 0.65733827 M6_341_750_D2_0.08_e3 1 10.025201 0.000000 0.013573 5.012600 3.614129 0.006786 -3.690145 0.000000 24.071754 Mg S O H 4 4 40 48 Direct configuration= 8 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06086080 0.87827840 0.25000000 0.93913920 0.12172160 0.75000000 0.42241723 0.89327926 0.12300437 0.68430351 0.89327926 0.37699563 0.57758277 0.10672074 0.87699563 0.31569649 0.10672074 0.62300437 0.18080126 0.18791864 0.13604704 0.63128010 0.18791864 0.36395296 0.81919874 0.81208136 0.86395296 0.36871990 0.81208136 0.63604704 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0.86362370 0.48609545 0.71901761 0.65028084 0.48609545 0.78098239 0.91993336 0.88623938 0.18224346 0.19382726 0.88623938 0.31775654 0.08006664 0.11376062 0.81775654 0.80617274 0.11376062 0.68224346 -0.04230256 0.38243550 0.07708789 0.65986707 0.38243550 0.42291211 0.04230256 0.61756450 0.92291211 0.34013293 0.61756450 0.57708789 0.72738634 0.63158334 0.05630922 0.64103032 0.63158334 0.44369078 0.27261366 0.36841666 0.94369078 0.35896968 0.36841666 0.55630922 0.28281456 0.42578481 0.06775153 0.29140063 0.42578481 0.43224847 0.71718544 0.57421519 0.93224847 0.70859937 0.57421519 0.56775153 0.30904104 0.61685195 0.08841927 0.07410701 0.61685195 0.41158073 0.69095896 0.38314805 0.91158073 0.92589299 0.38314805 0.58841927 0.66972323 0.26431530 0.04800007 0.06596148 0.26431530 0.45199993 0.33027677 0.73568470 0.95199993 0.93403852 0.73568470 0.54800007 0.70490468 0.05869902 -0.00173991 0.23639630 0.05869902 0.50173991 0.29509532 0.94130098 0.00173991 0.76360370 0.94130098 0.49826009 0.73537405 0.19963852 0.30476828 0.06498743 0.19963852 0.19523172 0.26462595 0.80036148 0.69523172 0.93501257 0.80036148 0.80476828 0.67978106 0.49609622 0.29687043 0.82412271 0.49609622 0.20312957 0.32021894 0.50390378 0.70312957 0.17587729 0.50390378 0.79687043 0.28126910 0.27562142 0.29776704 0.44310948 0.27562142 0.20223296 0.71873090 0.72437858 0.70223296 0.55689052 0.72437858 0.79776704 0.07899556 0.43326002 0.26915626 0.48774442 0.43326002 0.23084374 -0.07899556 0.56673998 0.73084374 0.51225558 0.56673998 0.76915626 0.00129134 0.66801858 0.16112470 0.33069008 0.66801858 0.33887530 -0.00129134 0.33198142 0.83887530 0.66930992 0.33198142 0.66112470 0.79673656 0.08264534 0.15777063 0.12061810 0.08264534 0.34222937 0.20326344 0.91735466 0.84222937 0.87938190 0.91735466 0.65777063 M6_341_750_D2_0.08_e3 1 10.036599 0.000000 0.016654 5.018300 3.618927 0.008327 -3.686969 0.000000 24.091989 Mg S O H 4 4 40 48 Direct configuration= 9 -0.00000000 -0.00000000 0.00000000 -0.00000000 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0.31900732 0.56585197 0.77584222 0.09036136 0.02152731 0.13379642 0.09036136 0.47847269 0.22415778 -0.09036136 0.97847269 0.86620358 -0.09036136 0.52152731 0.74747975 0.28234126 0.27836882 0.97017899 0.28234126 0.22163118 0.25252025 0.71765874 0.72163118 0.02982101 0.71765874 0.77836882 0.13593739 0.51640988 0.28096265 0.34765273 0.51640988 0.21903735 0.86406261 0.48359012 0.71903735 0.65234727 0.48359012 0.78096265 0.92003015 0.88666412 0.18253014 0.19330573 0.88666412 0.31746986 0.07996985 0.11333588 0.81746986 0.80669427 0.11333588 0.68253014 -0.04162690 0.38198440 0.07729314 0.65964250 0.38198440 0.42270686 0.04162690 0.61801560 0.92270686 0.34035750 0.61801560 0.57729314 0.72573348 0.63381943 0.05640317 0.64044709 0.63381943 0.44359683 0.27426652 0.36618057 0.94359683 0.35955291 0.36618057 0.55640317 0.28349897 0.42349749 0.06774997 0.29300353 0.42349749 0.43225003 0.71650103 0.57650251 0.93225003 0.70699647 0.57650251 0.56774997 0.30960901 0.61675888 0.08854912 0.07363211 0.61675888 0.41145088 0.69039099 0.38324112 0.91145088 0.92636789 0.38324112 0.58854912 0.66889046 0.26580006 0.04825815 0.06530948 0.26580006 0.45174185 0.33110954 0.73419994 0.95174185 0.93469052 0.73419994 0.54825815 0.70442601 0.05826929 -0.00195304 0.23730470 0.05826929 0.50195304 0.29557399 0.94173071 0.00195304 0.76269530 0.94173071 0.49804696 0.73528982 0.19863642 0.30502925 0.06607377 0.19863642 0.19497075 0.26471018 0.80136358 0.69497075 0.93392623 0.80136358 0.80502925 0.67934927 0.49756323 0.29697001 0.82308750 0.49756323 0.20302999 0.32065073 0.50243677 0.70302999 0.17691250 0.50243677 0.79697001 0.28264373 0.27364512 0.29794354 0.44371115 0.27364512 0.20205646 0.71735627 0.72635488 0.70205646 0.55628885 0.72635488 0.79794354 0.07806801 0.43271363 0.26900222 0.48921835 0.43271363 0.23099778 -0.07806801 0.56728637 0.73099778 0.51078165 0.56728637 0.76900222 0.00199458 0.66623661 0.16097408 0.33176881 0.66623661 0.33902592 -0.00199458 0.33376339 0.83902592 0.66823119 0.33376339 0.66097408 0.79593675 0.08399473 0.15763053 0.12006852 0.08399473 0.34236947 0.20406325 0.91600527 0.84236947 0.87993148 0.91600527 0.65763053 M6_341_750_D2_0.08_e3 1 10.035342 0.000000 0.016314 5.017671 3.618398 0.008157 -3.687319 0.000000 24.089756 Mg S O H 4 4 40 48 Direct configuration= 10 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.06084787 0.87830425 0.25000000 0.93915213 0.12169575 0.75000000 0.42240417 0.89331094 0.12299712 0.68428489 0.89331094 0.37700288 0.57759583 0.10668906 0.87700288 0.31571511 0.10668906 0.62299712 0.18072388 0.18800799 0.13605298 0.63126813 0.18800799 0.36394702 0.81927612 0.81199201 0.86394702 0.36873187 0.81199201 0.63605298 0.54788238 0.88237910 0.16664384 0.56973852 0.88237910 0.33335616 0.45211762 0.11762090 0.83335616 0.43026148 0.11762090 0.66664384 0.42170065 0.97755519 0.06818326 0.60074416 0.97755519 0.43181674 0.57829935 0.02244481 0.93181674 0.39925584 0.02244481 0.56818326 0.53539728 0.52771909 0.11913697 0.93688363 0.52771909 0.38086303 0.46460272 0.47228091 0.88086303 0.06311637 0.47228091 0.61913697 0.88327450 0.40830433 0.04380594 0.70842117 0.40830433 0.45619406 0.11672550 0.59169567 0.95619406 0.29157883 0.59169567 0.54380594 0.19399621 0.68073161 0.06586582 0.12527218 0.68073161 0.43413418 0.80600379 0.31926839 0.93413418 0.87472782 0.31926839 0.56586582 0.77569993 0.09047572 0.02153226 0.13382436 0.09047572 0.47846774 0.22430007 -0.09047572 0.97846774 0.86617564 -0.09047572 0.52153226 0.74742359 0.28239133 0.27840807 0.97018508 0.28239133 0.22159193 0.25257641 0.71760867 0.72159193 0.02981492 0.71760867 0.77840807 0.13598575 0.51613379 0.28096484 0.34788047 0.51613379 0.21903516 0.86401425 0.48386621 0.71903516 0.65211953 0.48386621 0.78096484 0.92001949 0.88661732 0.18249854 0.19336319 0.88661732 0.31750146 0.07998051 0.11338268 0.81750146 0.80663681 0.11338268 0.68249854 -0.04170135 0.38203411 0.07727052 0.65966724 0.38203411 0.42272948 0.04170135 0.61796589 0.92272948 0.34033276 0.61796589 0.57727052 0.72591564 0.63357301 0.05639280 0.64051135 0.63357301 0.44360720 0.27408436 0.36642699 0.94360720 0.35948865 0.36642699 0.55639280 0.28342356 0.42374956 0.06775013 0.29282688 0.42374956 0.43224987 0.71657644 0.57625044 0.93224987 0.70717312 0.57625044 0.56775013 0.30954642 0.61676914 0.08853481 0.07368444 0.61676914 0.41146519 0.69045358 0.38323086 0.91146519 0.92631556 0.38323086 0.58853481 0.66898225 0.26563644 0.04822970 0.06538131 0.26563644 0.45177030 0.33101775 0.73436356 0.95177030 0.93461869 0.73436356 0.54822970 0.70447876 0.05831664 -0.00192955 0.23720460 0.05831664 0.50192955 0.29552124 0.94168336 0.00192955 0.76279540 0.94168336 0.49807045 0.73529913 0.19874685 0.30500047 0.06595402 0.19874685 0.19499953 0.26470087 0.80125315 0.69499953 0.93404598 0.80125315 0.80500047 0.67939686 0.49740156 0.29695903 0.82320158 0.49740156 0.20304097 0.32060314 0.50259844 0.70304097 0.17679842 0.50259844 0.79695903 0.28249225 0.27386292 0.29792409 0.44364484 0.27386292 0.20207591 0.71750775 0.72613708 0.70207591 0.55635516 0.72613708 0.79792409 0.07817024 0.43277385 0.26901919 0.48905592 0.43277385 0.23098081 -0.07817024 0.56722615 0.73098081 0.51094408 0.56722615 0.76901919 0.00191707 0.66643299 0.16099069 0.33164994 0.66643299 0.33900931 -0.00191707 0.33356701 0.83900931 0.66835006 0.33356701 0.66099069 0.79602489 0.08384602 0.15764597 0.12012909 0.08384602 0.34235403 0.20397511 0.91615398 0.84235403 0.87987091 0.91615398 0.65764597 M6_341_750_D2_0.08_e3 1 10.121273 0.000000 0.025868 5.060636 3.651969 0.012934 -3.696430 0.000000 24.378915 Mg S O H 4 4 40 48 Direct configuration= 11 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05595820 0.88808361 0.25000000 0.94404180 0.11191639 0.75000000 0.42277313 0.89166324 0.12367827 0.68556363 0.89166324 0.37632173 0.57722687 0.10833676 0.87632173 0.31443637 0.10833676 0.62367827 0.17776022 0.19182051 0.13641594 0.63041927 0.19182051 0.36358406 0.82223978 0.80817949 0.86358406 0.36958073 0.80817949 0.63641594 0.54965383 0.88161188 0.16702528 0.56873429 0.88161188 0.33297472 0.45034617 0.11838812 0.83297472 0.43126571 0.11838812 0.66702528 0.42255690 0.97951001 0.06715674 0.59793309 0.97951001 0.43284326 0.57744310 0.02048999 0.93284326 0.40206691 0.02048999 0.56715674 0.53559802 0.52589137 0.11903459 0.93851061 0.52589137 0.38096541 0.46440198 0.47410863 0.88096541 0.06148939 0.47410863 0.61903459 0.86924291 0.43137440 0.04421038 0.69938269 0.43137440 0.45578962 0.13075709 0.56862560 0.95578962 0.30061731 0.56862560 0.54421038 0.20211643 0.65870250 0.06692973 0.13918107 0.65870250 0.43307027 0.79788357 0.34129750 0.93307027 0.86081893 0.34129750 0.56692973 0.77517185 0.08437947 0.02021262 0.14044869 0.08437947 0.47978738 0.22482815 -0.08437947 0.97978738 0.85955131 -0.08437947 0.52021262 0.74662050 0.28042385 0.27610015 0.97295565 0.28042385 0.22389985 0.25337950 0.71957615 0.72389985 0.02704435 0.71957615 0.77610015 0.13461436 0.49099873 0.28093410 0.37438691 0.49099873 0.21906590 0.86538564 0.50900127 0.71906590 0.62561309 0.50900127 0.78093410 0.92508666 0.87482396 0.18325509 0.20008938 0.87482396 0.31674491 0.07491334 0.12517604 0.81674491 0.79991062 0.12517604 0.68325509 -0.02849491 0.36908869 0.07934859 0.65940622 0.36908869 0.42065141 0.02849491 0.63091131 0.92065141 0.34059378 0.63091131 0.57934859 0.72308679 0.63295153 0.05484736 0.64396168 0.63295153 0.44515264 0.27691321 0.36704847 0.94515264 0.35603832 0.36704847 0.55484736 0.27669618 0.43069726 0.06671268 0.29260656 0.43069726 0.43328732 0.72330382 0.56930274 0.93328732 0.70739344 0.56930274 0.56671268 0.31298904 0.62336300 0.08979137 0.06364796 0.62336300 0.41020863 0.68701096 0.37663700 0.91020863 0.93635204 0.37663700 0.58979137 0.66230284 0.27965719 0.05094213 0.05803998 0.27965719 0.44905787 0.33769716 0.72034281 0.94905787 0.94196002 0.72034281 0.55094213 0.70571249 0.05433577 -0.00294362 0.23995175 0.05433577 0.50294362 0.29428751 0.94566423 0.00294362 0.76004825 0.94566423 0.49705638 0.73568212 0.18800717 0.30704356 0.07631071 0.18800717 0.19295644 0.26431788 0.81199283 0.69295644 0.92368929 0.81199283 0.80704356 0.67470051 0.51651328 0.29801681 0.80878621 0.51651328 0.20198319 0.32529949 0.48348672 0.70198319 0.19121379 0.48348672 0.79801681 0.28874938 0.27252072 0.29901144 0.43872989 0.27252072 0.20098856 0.71125062 0.72747928 0.70098856 0.56127011 0.72747928 0.79901144 0.07546248 0.44808418 0.26898325 0.47645334 0.44808418 0.23101675 -0.07546248 0.55191582 0.73101675 0.52354666 0.55191582 0.76898325 0.00709548 0.65570480 0.16068808 0.33719972 0.65570480 0.33931192 -0.00709548 0.34429520 0.83931192 0.66280028 0.34429520 0.66068808 0.78398409 0.10563732 0.15585616 0.11037859 0.10563732 0.34414384 0.21601591 0.89436268 0.84414384 0.88962141 0.89436268 0.65585616 M6_341_750_D2_0.08_e3 1 10.070361 0.000000 0.020208 5.035181 3.632079 0.010104 -3.691032 0.000000 24.207597 Mg S O H 4 4 40 48 Direct configuration= 12 -0.00000000 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.50000000 0.05882855 0.88234290 0.25000000 0.94117145 0.11765710 0.75000000 0.42255808 0.89263048 0.12327939 0.68481144 0.89263048 0.37672061 0.57744192 0.10736952 0.87672061 0.31518856 0.10736952 0.62327939 0.17950105 0.18958247 0.13620320 0.63091648 0.18958247 0.36379680 0.82049895 0.81041753 0.86379680 0.36908352 0.81041753 0.63620320 0.54861426 0.88206225 0.16680228 0.56932349 0.88206225 0.33319772 0.45138574 0.11793775 0.83319772 0.43067651 0.11793775 0.66680228 0.42205157 0.97836248 0.06775813 0.59958595 0.97836248 0.43224187 0.57794843 0.02163752 0.93224187 0.40041405 0.02163752 0.56775813 0.53548021 0.52696428 0.11909437 0.93755550 0.52696428 0.38090563 0.46451979 0.47303572 0.88090563 0.06244450 0.47303572 0.61909437 0.87748144 0.41783173 0.04397304 0.70468683 0.41783173 0.45602696 0.12251856 0.58216827 0.95602696 0.29531317 0.58216827 0.54397304 0.19735280 0.67163411 0.06630621 0.13101310 0.67163411 0.43369379 0.80264720 0.32836589 0.93369379 0.86898690 0.32836589 0.56630621 0.77548035 0.08795811 0.02098439 0.13656154 0.08795811 0.47901561 0.22451965 -0.08795811 0.97901561 0.86343846 -0.08795811 0.52098439 0.74708784 0.28157880 0.27745090 0.97133336 0.28157880 0.22254910 0.25291216 0.71842120 0.72254910 0.02866664 0.71842120 0.77745090 0.13542398 0.50575360 0.28094894 0.35882242 0.50575360 0.21905106 0.86457602 0.49424640 0.71905106 0.64117758 0.49424640 0.78094894 0.92211393 0.88174694 0.18281198 0.19613913 0.88174694 0.31718802 0.07788607 0.11825306 0.81718802 0.80386087 0.11825306 0.68281198 -0.03624542 0.37668796 0.07813352 0.65955747 0.37668796 0.42186648 0.03624542 0.62331204 0.92186648 0.34044253 0.62331204 0.57813352 0.72474530 0.63331635 0.05575142 0.64193835 0.63331635 0.44424858 0.27525470 0.36668365 0.94424858 0.35806165 0.36668365 0.55575142 0.28064428 0.42661880 0.06731931 0.29273692 0.42661880 0.43268069 0.71935572 0.57338120 0.93268069 0.70726308 0.57338120 0.56731931 0.31096844 0.61949225 0.08905726 0.06953930 0.61949225 0.41094274 0.68903156 0.38050775 0.91094274 0.93046070 0.38050775 0.58905726 0.66622921 0.27142668 0.04935423 0.06234411 0.27142668 0.45064577 0.33377079 0.72857332 0.95064577 0.93765589 0.72857332 0.54935423 0.70498645 0.05667263 -0.00235011 0.23834091 0.05667263 0.50235011 0.29501355 0.94332737 0.00235011 0.76165909 0.94332737 0.49764989 0.73546311 0.19431161 0.30584631 0.07022528 0.19431161 0.19415369 0.26453689 0.80568839 0.69415369 0.92977472 0.80568839 0.80584631 0.67745791 0.50529425 0.29739864 0.81724784 0.50529425 0.20260136 0.32254209 0.49470575 0.70260136 0.18275216 0.49470575 0.79739864 0.28507664 0.27330862 0.29837612 0.44161473 0.27330862 0.20162388 0.71492336 0.72669138 0.70162388 0.55838527 0.72669138 0.79837612 0.07705027 0.43909666 0.26900541 0.48385307 0.43909666 0.23099459 -0.07705027 0.56090334 0.73099459 0.51614693 0.56090334 0.76900541 0.00405508 0.66200250 0.16086520 0.33394242 0.66200250 0.33913480 -0.00405508 0.33799750 0.83913480 0.66605758 0.33799750 0.66086520 0.79104906 0.09284532 0.15690374 0.11610562 0.09284532 0.34309626 0.20895094 0.90715468 0.84309626 0.88389438 0.90715468 0.65690374 M6_341_750_D2_0.08_e3 1 10.133428 0.000000 0.033195 5.066714 3.645560 0.016597 -3.683013 0.000000 24.249859 Mg S O H 4 4 40 48 Direct configuration= 13 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05707321 0.88585358 0.25000000 0.94292679 0.11414642 0.75000000 0.42286930 0.89447528 0.12287689 0.68265542 0.89447528 0.37712311 0.57713070 0.10552472 0.87712311 0.31734458 0.10552472 0.62287689 0.17897787 0.18989221 0.13645545 0.63112992 0.18989221 0.36354455 0.82102213 0.81010779 0.86354455 0.36887008 0.81010779 0.63645545 0.54894699 0.88103362 0.16680269 0.57001939 0.88103362 0.33319731 0.45105301 0.11896638 0.83319731 0.42998061 0.11896638 0.66680269 0.42266196 0.97789794 0.06822446 0.59944011 0.97789794 0.43177554 0.57733804 0.02210206 0.93177554 0.40055989 0.02210206 0.56822446 0.53509560 0.52678272 0.11903590 0.93812168 0.52678272 0.38096410 0.46490440 0.47321728 0.88096410 0.06187832 0.47321728 0.61903590 0.87562694 0.42804019 0.04603473 0.69633287 0.42804019 0.45396527 0.12437306 0.57195981 0.95396527 0.30366713 0.57195981 0.54603473 0.20569643 0.65966061 0.06805144 0.13464296 0.65966061 0.43194856 0.79430357 0.34033939 0.93194856 0.86535704 0.34033939 0.56805144 0.76764219 0.09573470 0.02197080 0.13662312 0.09573470 0.47802920 0.23235781 -0.09573470 0.97802920 0.86337688 -0.09573470 0.52197080 0.73969067 0.29027139 0.27880711 0.97003794 0.29027139 0.22119289 0.26030933 0.70972861 0.72119289 0.02996206 0.70972861 0.77880711 0.13910710 0.49165066 0.28174394 0.36924225 0.49165066 0.21825606 0.86089290 0.50834934 0.71825606 0.63075775 0.50834934 0.78174394 0.91736518 0.88437981 0.18100189 0.19825501 0.88437981 0.31899811 0.08263482 0.11562019 0.81899811 0.80174499 0.11562019 0.68100189 -0.02940836 0.36742108 0.07798666 0.66198728 0.36742108 0.42201334 0.02940836 0.63257892 0.92201334 0.33801272 0.63257892 0.57798666 0.71699214 0.64009948 0.05477211 0.64290838 0.64009948 0.44522789 0.28300786 0.35990052 0.94522789 0.35709162 0.35990052 0.55477211 0.27761702 0.42412537 0.06644498 0.29825761 0.42412537 0.43355502 0.72238298 0.57587463 0.93355502 0.70174239 0.57587463 0.56644498 0.30998966 0.62676590 0.08932302 0.06324444 0.62676590 0.41067698 0.69001034 0.37323410 0.91067698 0.93675556 0.37323410 0.58932302 0.66756987 0.27157263 0.04987556 0.06085750 0.27157263 0.45012444 0.33243013 0.72842737 0.95012444 0.93914250 0.72842737 0.54987556 0.70528420 0.05307480 -0.00345061 0.24164100 0.05307480 0.50345061 0.29471580 0.94692520 0.00345061 0.75835900 0.94692520 0.49654939 0.73649614 0.19043817 0.30583516 0.07306569 0.19043817 0.19416484 0.26350386 0.80956183 0.69416484 0.92693431 0.80956183 0.80583516 0.67793271 0.50827045 0.29711294 0.81379685 0.50827045 0.20288706 0.32206729 0.49172955 0.70288706 0.18620315 0.49172955 0.79711294 0.29004666 0.27225797 0.29930987 0.43769537 0.27225797 0.20069013 0.70995334 0.72774203 0.70069013 0.56230463 0.72774203 0.79930987 0.07048992 0.44581843 0.26804203 0.48369165 0.44581843 0.23195797 -0.07048992 0.55418157 0.73195797 0.51630835 0.55418157 0.76804203 0.00788587 0.65475980 0.16083540 0.33735433 0.65475980 0.33916460 -0.00788587 0.34524020 0.83916460 0.66264567 0.34524020 0.66083540 0.78999996 0.09700739 0.15728226 0.11299265 0.09700739 0.34271774 0.21000004 0.90299261 0.84271774 0.88700735 0.90299261 0.65728226 M6_341_750_D2_0.08_e3 1 10.122972 0.000000 0.031042 5.061486 3.643324 0.015521 -3.684343 0.000000 24.242852 Mg S O H 4 4 40 48 Direct configuration= 14 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05736317 0.88527367 0.25000000 0.94263683 0.11472633 0.75000000 0.42281835 0.89417055 0.12294361 0.68301110 0.89417055 0.37705639 0.57718165 0.10582945 0.87705639 0.31698890 0.10582945 0.62294361 0.17906419 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0.71116449 0.72141762 0.02974702 0.71116449 0.77858238 0.13849737 0.49398025 0.28161206 0.36752238 0.49398025 0.21838794 0.86150263 0.50601975 0.71838794 0.63247762 0.50601975 0.78161206 0.91814763 0.88394490 0.18130118 0.19790747 0.88394490 0.31869882 0.08185237 0.11605510 0.81869882 0.80209253 0.11605510 0.68130118 -0.03053679 0.36895183 0.07801116 0.66158495 0.36895183 0.42198884 0.03053679 0.63104817 0.92198884 0.33841505 0.63104817 0.57801116 0.71827065 0.63897901 0.05493382 0.64275034 0.63897901 0.44506618 0.28172935 0.36102099 0.94506618 0.35724966 0.36102099 0.55493382 0.27811494 0.42453725 0.06658932 0.29734781 0.42453725 0.43341068 0.72188506 0.57546275 0.93341068 0.70265219 0.57546275 0.56658932 0.31015260 0.62556440 0.08927927 0.06428300 0.62556440 0.41072073 0.68984740 0.37443560 0.91072073 0.93571700 0.37443560 0.58927927 0.66734918 0.27154852 0.04978940 0.06110231 0.27154852 0.45021060 0.33265082 0.72845148 0.95021060 0.93889769 0.72845148 0.54978940 0.70523408 0.05366911 -0.00326860 0.24109681 0.05366911 0.50326860 0.29476592 0.94633089 0.00326860 0.75890319 0.94633089 0.49673140 0.73632509 0.19107801 0.30583693 0.07259690 0.19107801 0.19416307 0.26367491 0.80892199 0.69416307 0.92740310 0.80892199 0.80583693 0.67785509 0.50777882 0.29716040 0.81436608 0.50777882 0.20283960 0.32214491 0.49222118 0.70283960 0.18563392 0.49222118 0.79716040 0.28922791 0.27243153 0.29915571 0.43834057 0.27243153 0.20084429 0.71077209 0.72756847 0.70084429 0.56165943 0.72756847 0.79915571 0.07157192 0.44470810 0.26820120 0.48371998 0.44470810 0.23179880 -0.07157192 0.55529190 0.73179880 0.51628002 0.55529190 0.76820120 0.00725317 0.65595618 0.16084035 0.33679065 0.65595618 0.33915965 -0.00725317 0.34404382 0.83915965 0.66320935 0.34404382 0.66084035 0.79017381 0.09631988 0.15721970 0.11350631 0.09631988 0.34278030 0.20982619 0.90368012 0.84278030 0.88649369 0.90368012 0.65721970 M6_341_750_D2_0.08_e3 1 10.142440 0.000000 0.032150 5.071220 3.641413 0.016075 -3.688794 0.000000 24.249260 Mg S O H 4 4 40 48 Direct configuration= 15 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05751848 0.88496305 0.25000000 0.94248152 0.11503695 0.75000000 0.42290614 0.89185567 0.12367066 0.68523819 0.89185567 0.37632934 0.57709386 0.10814433 0.87632934 0.31476181 0.10814433 0.62367066 0.18223991 0.18624833 0.13631523 0.63151176 0.18624833 0.36368477 0.81776009 0.81375167 0.86368477 0.36848824 0.81375167 0.63631523 0.54773481 0.88098037 0.16641836 0.57128482 0.88098037 0.33358164 0.45226519 0.11901963 0.83358164 0.42871518 0.11901963 0.66641836 0.42262825 0.97836975 0.06815187 0.59900201 0.97836975 0.43184813 0.57737175 0.02163025 0.93184813 0.40099799 0.02163025 0.56815187 0.53304268 0.53296574 0.11894014 0.93399157 0.53296574 0.38105986 0.46695732 0.46703426 0.88105986 0.06600843 0.46703426 0.61894014 0.87473800 0.43034353 0.04596660 0.69491847 0.43034353 0.45403340 0.12526200 0.56965647 0.95403340 0.30508153 0.56965647 0.54596660 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0.72177043 0.58107723 0.93374926 0.69715235 0.58107723 0.56625074 0.31207323 0.62696321 0.08980844 0.06096356 0.62696321 0.41019156 0.68792677 0.37303679 0.91019156 0.93903644 0.37303679 0.58980844 0.66471632 0.27622760 0.05084194 0.05905608 0.27622760 0.44915806 0.33528368 0.72377240 0.94915806 0.94094392 0.72377240 0.55084194 0.70520066 0.05342683 -0.00346254 0.24137251 0.05342683 0.50346254 0.29479934 0.94657317 0.00346254 0.75862749 0.94657317 0.49653746 0.73628506 0.18997625 0.30610120 0.07373869 0.18997625 0.19389880 0.26371494 0.81002375 0.69389880 0.92626131 0.81002375 0.80610120 0.67863574 0.50740549 0.29704242 0.81395878 0.50740549 0.20295758 0.32136426 0.49259451 0.70295758 0.18604122 0.49259451 0.79704242 0.29423061 0.26723405 0.30000678 0.43853534 0.26723405 0.19999322 0.70576939 0.73276595 0.69999322 0.56146466 0.73276595 0.80000678 0.06650742 0.44431131 0.26723589 0.48918128 0.44431131 0.23276411 -0.06650742 0.55568869 0.73276411 0.51081872 0.55568869 0.76723589 0.00859235 0.65323505 0.16065364 0.33817259 0.65323505 0.33934636 -0.00859235 0.34676495 0.83934636 0.66182741 0.34676495 0.66065364 0.78849335 0.10019419 0.15701490 0.11131246 0.10019419 0.34298510 0.21150665 0.89980581 0.84298510 0.88868754 0.89980581 0.65701490 M6_341_750_D2_0.08_e3 1 10.131493 0.000000 0.031527 5.065746 3.642488 0.015763 -3.686291 0.000000 24.245657 Mg S O H 4 4 40 48 Direct configuration= 16 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05743110 0.88513781 0.25000000 0.94256890 0.11486219 0.75000000 0.42285513 0.89315805 0.12326191 0.68398682 0.89315805 0.37673809 0.57714487 0.10684195 0.87673809 0.31601318 0.10684195 0.62326191 0.18045513 0.18826964 0.13637060 0.63127523 0.18826964 0.36362940 0.81954487 0.81173036 0.86362940 0.36872477 0.81173036 0.63637060 0.54838415 0.88110593 0.16663434 0.57050993 0.88110593 0.33336566 0.45161585 0.11889407 0.83336566 0.42949007 0.11889407 0.66663434 0.42259101 0.97814747 0.06814932 0.59926152 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0.50761553 0.20289124 0.32180262 0.49238447 0.70289124 0.18581291 0.49238447 0.79710876 0.29141918 0.27015822 0.29952839 0.43842259 0.27015822 0.20047161 0.70858082 0.72984178 0.70047161 0.56157741 0.72984178 0.79952839 0.06934969 0.44453455 0.26777843 0.48611577 0.44453455 0.23222157 -0.06934969 0.55546545 0.73222157 0.51388423 0.55546545 0.76777843 0.00783891 0.65476600 0.16075860 0.33739508 0.65476600 0.33924140 -0.00783891 0.34523400 0.83924140 0.66260492 0.34523400 0.66075860 0.78943919 0.09801445 0.15713004 0.11254636 0.09801445 0.34286996 0.21056081 0.90198555 0.84286996 0.88745364 0.90198555 0.65713004 M6_341_750_D2_0.08_e3 1 10.114897 0.000000 0.024575 5.057449 3.634390 0.012288 -3.696785 0.000000 24.212417 Mg S O H 4 4 40 48 Direct configuration= 17 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05798241 0.88403519 0.25000000 0.94201759 0.11596481 0.75000000 0.42258708 0.89352153 0.12322392 0.68389138 0.89352153 0.37677608 0.57741292 0.10647847 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0.94959100 0.93938584 0.72612928 0.55040900 0.70413150 0.05413378 -0.00349082 0.24173472 0.05413378 0.50349082 0.29586850 0.94586622 0.00349082 0.75826528 0.94586622 0.49650918 0.73578748 0.19103717 0.30631720 0.07317535 0.19103717 0.19368280 0.26421252 0.80896283 0.69368280 0.92682465 0.80896283 0.80631720 0.67797807 0.50879116 0.29735495 0.81323077 0.50879116 0.20264505 0.32202193 0.49120884 0.70264505 0.18676923 0.49120884 0.79735495 0.29299357 0.26803745 0.29987682 0.43896899 0.26803745 0.20012318 0.70700643 0.73196255 0.70012318 0.56103101 0.73196255 0.79987682 0.06966704 0.44418993 0.26774507 0.48614303 0.44418993 0.23225493 -0.06966704 0.55581007 0.73225493 0.51385697 0.55581007 0.76774507 0.00810226 0.65388212 0.16046776 0.33801562 0.65388212 0.33953224 -0.00810226 0.34611788 0.83953224 0.66198438 0.34611788 0.66046776 0.78889233 0.09908369 0.15688125 0.11202398 0.09908369 0.34311875 0.21110767 0.90091631 0.84311875 0.88797602 0.90091631 0.65688125 M6_341_750_D2_0.08_e3 1 10.117497 0.000000 0.025664 5.058749 3.635658 0.012832 -3.695141 0.000000 24.217625 Mg S O H 4 4 40 48 Direct configuration= 18 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05789584 0.88420832 0.25000000 0.94210416 0.11579168 0.75000000 0.42262917 0.89346446 0.12322989 0.68390637 0.89346446 0.37677011 0.57737083 0.10653554 0.87677011 0.31609363 0.10653554 0.62322989 0.18184953 0.18673824 0.13636919 0.63141222 0.18673824 0.36363081 0.81815047 0.81326176 0.86363081 0.36858778 0.81326176 0.63636919 0.54793945 0.88090872 0.16659751 0.57115183 0.88090872 0.33340249 0.45206055 0.11909128 0.83340249 0.42884817 0.11909128 0.66659751 0.42247915 0.97818422 0.06832040 0.59933663 0.97818422 0.43167960 0.57752085 0.02181578 0.93167960 0.40066337 0.02181578 0.56832040 0.53367461 0.53126044 0.11896955 0.93506495 0.53126044 0.38103045 0.46632539 0.46873956 0.88103045 0.06493505 0.46873956 0.61896955 0.87488036 0.42925077 0.04581114 0.69586888 0.42925077 0.45418886 0.12511964 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0.55575596 0.73224970 0.51386127 0.55575596 0.76775030 0.00806097 0.65402091 0.16051340 0.33791812 0.65402091 0.33948660 -0.00806097 0.34597909 0.83948660 0.66208188 0.34597909 0.66051340 0.78897826 0.09891580 0.15692028 0.11210594 0.09891580 0.34307972 0.21102174 0.90108420 0.84307972 0.88789406 0.90108420 0.65692028 M6_341_750_D2_0.08_e3 1 10.101783 0.000000 0.014845 5.050892 3.626628 0.007423 -3.715206 0.000000 24.181016 Mg S O H 4 4 40 48 Direct configuration= 19 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05846639 0.88306723 0.25000000 0.94153361 0.11693277 0.75000000 0.42269323 0.89391355 0.12313072 0.68339323 0.89391355 0.37686928 0.57730677 0.10608645 0.87686928 0.31660677 0.10608645 0.62313072 0.18202476 0.18675987 0.13642295 0.63121537 0.18675987 0.36357705 0.81797524 0.81324013 0.86357705 0.36878463 0.81324013 0.63642295 0.54791133 0.88071246 0.16676322 0.57137621 0.88071246 0.33323678 0.45208867 0.11928754 0.83323678 0.42862379 0.11928754 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0.80658337 0.67776409 0.50966022 0.29759416 0.81257570 0.50966022 0.20240584 0.32223591 0.49033978 0.70240584 0.18742430 0.49033978 0.79759416 0.29251110 0.26865541 0.29998043 0.43883349 0.26865541 0.20001957 0.70748890 0.73134459 0.70001957 0.56116651 0.73134459 0.79998043 0.06981381 0.44320180 0.26764550 0.48698439 0.44320180 0.23235450 -0.06981381 0.55679820 0.73235450 0.51301561 0.55679820 0.76764550 0.00810646 0.65358769 0.16020664 0.33830585 0.65358769 0.33979336 -0.00810646 0.34641231 0.83979336 0.66169415 0.34641231 0.66020664 0.78907027 0.09887915 0.15674772 0.11205059 0.09887915 0.34325228 0.21092973 0.90112085 0.84325228 0.88794941 0.90112085 0.65674772 M6_341_750_D2_0.08_e3 1 10.072312 0.000000 -0.005446 5.036156 3.609692 -0.002723 -3.752838 0.000000 24.112357 Mg S O H 4 4 40 48 Direct configuration= 20 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05953911 0.88092178 0.25000000 0.94046089 0.11907822 0.75000000 0.42281276 0.89475791 0.12294468 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0.88805256 0.90118976 0.65642367 M6_341_750_D2_0.08_e3 1 10.066514 0.000000 -0.010142 5.033257 3.606255 -0.005071 -3.761926 0.000000 24.100199 Mg S O H 4 4 40 48 Direct configuration= 21 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05975300 0.88049400 0.25000000 0.94024700 0.11950600 0.75000000 0.42286023 0.89471806 0.12296184 0.68242172 0.89471806 0.37703816 0.57713977 0.10528194 0.87703816 0.31757828 0.10528194 0.62296184 0.18217766 0.18715167 0.13654285 0.63067066 0.18715167 0.36345715 0.81782234 0.81284833 0.86345715 0.36932934 0.81284833 0.63654285 0.54799449 0.88023760 0.16717717 0.57176790 0.88023760 0.33282283 0.45200551 0.11976240 0.83282283 0.42823210 0.11976240 0.66717717 0.42172355 0.97973392 0.06840501 0.59854253 0.97973392 0.43159499 0.57827645 0.02026608 0.93159499 0.40145747 0.02026608 0.56840501 0.53381916 0.53077280 0.11870350 0.93540804 0.53077280 0.38129650 0.46618084 0.46922720 0.88129650 0.06459196 0.46922720 0.61870350 0.87371889 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0.44070471 0.26740184 0.48898434 0.44070471 0.23259816 -0.07031095 0.55929529 0.73259816 0.51101566 0.55929529 0.76740184 0.00816861 0.65268324 0.15950421 0.33914815 0.65268324 0.34049579 -0.00816861 0.34731676 0.84049579 0.66085185 0.34731676 0.65950421 0.78921204 0.09891587 0.15633481 0.11187210 0.09891587 0.34366519 0.21078796 0.90108413 0.84366519 0.88812790 0.90108413 0.65633481 M6_341_750_D2_0.08_e3 1 10.049120 0.000000 -0.024230 5.024560 3.595944 -0.012115 -3.789190 0.000000 24.063723 Mg S O H 4 4 40 48 Direct configuration= 22 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.06039528 0.87920944 0.25000000 0.93960472 0.12079056 0.75000000 0.42300279 0.89459839 0.12301337 0.68239882 0.89459839 0.37698663 0.57699721 0.10540161 0.87698663 0.31760118 0.10540161 0.62301337 0.18164762 0.18820608 0.13659915 0.63014630 0.18820608 0.36340085 0.81835238 0.81179392 0.86340085 0.36985370 0.81179392 0.63659915 0.54840037 0.87991970 0.16748577 0.57167994 0.87991970 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0.09986927 0.34446603 0.21106413 0.90013073 0.84446603 0.88880514 0.90013073 0.65553397 M6_341_750_D2_0.08_e3 1 10.021515 0.000000 -0.046588 5.010757 3.579581 -0.023294 -3.832460 0.000000 24.005836 Mg S O H 4 4 40 48 Direct configuration= 24 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.06141598 0.87716803 0.25000000 0.93858402 0.12283197 0.75000000 0.42322941 0.89440822 0.12309524 0.68236237 0.89440822 0.37690476 0.57677059 0.10559178 0.87690476 0.31763763 0.10559178 0.62309524 0.18080542 0.18988174 0.13668855 0.62931284 0.18988174 0.36331145 0.81919458 0.81011826 0.86331145 0.37068716 0.81011826 0.63668855 0.54904597 0.87941448 0.16797599 0.57153955 0.87941448 0.33202401 0.45095403 0.12058552 0.83202401 0.42846045 0.12058552 0.66797599 0.42092973 0.98227098 0.06798284 0.59679929 0.98227098 0.43201716 0.57907027 0.01772902 0.93201716 0.40320071 0.01772902 0.56798284 0.53461191 0.52849038 0.11832475 0.93689771 0.52849038 0.38167525 0.46538809 0.47150962 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0.69884369 0.55996904 0.73343391 0.80115631 0.07130265 0.43652573 0.26703984 0.49217162 0.43652573 0.23296016 -0.07130265 0.56347427 0.73296016 0.50782838 0.56347427 0.76703984 0.00799444 0.65198407 0.15852460 0.34002149 0.65198407 0.34147540 -0.00799444 0.34801593 0.84147540 0.65997851 0.34801593 0.65852460 0.78897505 0.09973715 0.15564456 0.11128780 0.09973715 0.34435544 0.21102495 0.90026285 0.84435544 0.88871220 0.90026285 0.65564456 M6_341_750_D2_0.08_e3 1 10.022968 0.000000 -0.045375 5.011484 3.580844 -0.022687 -3.830106 0.000000 24.006445 Mg S O H 4 4 40 48 Direct configuration= 25 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.06123405 0.87753191 0.25000000 0.93876595 0.12246809 0.75000000 0.42304469 0.89445296 0.12311780 0.68250235 0.89445296 0.37688220 0.57695531 0.10554704 0.87688220 0.31749765 0.10554704 0.62311780 0.18042459 0.19040027 0.13664438 0.62917513 0.19040027 0.36335562 0.81957541 0.80959973 0.86335562 0.37082487 0.80959973 0.63664438 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0.73109680 0.19889039 0.30837723 0.07001280 0.19889039 0.19162277 0.26890320 0.80110961 0.69162277 0.92998720 0.80110961 0.80837723 0.67646860 0.51415328 0.29899827 0.80937812 0.51415328 0.20100173 0.32353140 0.48584672 0.70100173 0.19062188 0.48584672 0.79899827 0.29389345 0.26569192 0.30122371 0.44041463 0.26569192 0.19877629 0.70610655 0.73430808 0.69877629 0.55958537 0.73430808 0.80122371 0.07143552 0.43628789 0.26702563 0.49227658 0.43628789 0.23297437 -0.07143552 0.56371211 0.73297437 0.50772342 0.56371211 0.76702563 0.00802392 0.65189950 0.15851207 0.34007658 0.65189950 0.34148793 -0.00802392 0.34810050 0.84148793 0.65992342 0.34810050 0.65851207 0.78887821 0.09991527 0.15562354 0.11120652 0.09991527 0.34437646 0.21112179 0.90008473 0.84437646 0.88879348 0.90008473 0.65562354 M6_341_750_D2_0.08_e3 1 10.024627 0.000000 -0.043989 5.012313 3.582287 -0.021995 -3.827418 0.000000 24.007142 Mg S O H 4 4 40 48 Direct configuration= 26 0.00000000 -0.00000000 0.00000000 0.00000000 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0.34819703 0.65849776 0.78876766 0.10011861 0.15559954 0.11111373 0.10011861 0.34440046 0.21123234 0.89988139 0.84440046 0.88888627 0.89988139 0.65559954 M6_341_750_D2_0.08_e3 1 10.024241 0.000000 -0.043727 5.012121 3.583010 -0.021863 -3.826655 0.000000 24.004415 Mg S O H 4 4 40 48 Direct configuration= 27 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.06074471 0.87851059 0.25000000 0.93925529 0.12148941 0.75000000 0.42281836 0.89434956 0.12319067 0.68283208 0.89434956 0.37680933 0.57718164 0.10565044 0.87680933 0.31716792 0.10565044 0.62319067 0.17964755 0.19143394 0.13653337 0.62891851 0.19143394 0.36346663 0.82035245 0.80856606 0.86346663 0.37108149 0.80856606 0.63653337 0.54976892 0.87920549 0.16800300 0.57102559 0.87920549 0.33199700 0.45023108 0.12079451 0.83199700 0.42897441 0.12079451 0.66800300 0.42099108 0.98237505 0.06802722 0.59663387 0.98237505 0.43197278 0.57900892 0.01762495 0.93197278 0.40336613 0.01762495 0.56802722 0.53538575 0.52670964 0.11821142 0.93790461 0.52670964 0.38178858 0.46461425 0.47329036 0.88178858 0.06209539 0.47329036 0.61821142 0.87181458 0.43797527 0.04635240 0.69021015 0.43797527 0.45364760 0.12818542 0.56202473 0.95364760 0.30978985 0.56202473 0.54635240 0.20818579 0.65665519 0.06854268 0.13515901 0.65665519 0.43145732 0.79181421 0.34334481 0.93145732 0.86484099 0.34334481 0.56854268 0.76137037 0.10275133 0.02174585 0.13587830 0.10275133 0.47825415 0.23862963 -0.10275133 0.97825415 0.86412170 -0.10275133 0.52174585 0.72791910 0.30334865 0.27963762 0.96873225 0.30334865 0.22036238 0.27208090 0.69665135 0.72036238 0.03126775 0.69665135 0.77963762 0.13938795 0.49025940 0.28199945 0.37035265 0.49025940 0.21800055 0.86061205 0.50974060 0.71800055 0.62964735 0.50974060 0.78199945 0.91469694 0.88177944 0.18032528 0.20352362 0.88177944 0.31967472 0.08530306 0.11822056 0.81967472 0.79647638 0.11822056 0.68032528 -0.02787114 0.36864190 0.07962598 0.65922923 0.36864190 0.42037402 0.02787114 0.63135810 0.92037402 0.34077077 0.63135810 0.57962598 0.71058864 0.64560310 0.05567049 0.64380826 0.64560310 0.44432951 0.28941136 0.35439690 0.94432951 0.35619174 0.35439690 0.55567049 0.27890194 0.41622330 0.06674571 0.30487476 0.41622330 0.43325429 0.72109806 0.58377670 0.93325429 0.69512524 0.58377670 0.56674571 0.31967862 0.61430318 0.09051427 0.06601820 0.61430318 0.40948573 0.68032138 0.38569682 0.90948573 0.93398180 0.38569682 0.59051427 0.66021380 0.27502458 0.05151258 0.06476162 0.27502458 0.44848742 0.33978620 0.72497542 0.94848742 0.93523838 0.72497542 0.55151258 0.69683301 0.06105655 -0.00360253 0.24211044 0.06105655 0.50360253 0.30316699 0.93894345 0.00360253 0.75788956 0.93894345 0.49639747 0.73086369 0.19926503 0.30834625 0.06987128 0.19926503 0.19165375 0.26913631 0.80073497 0.69165375 0.93012872 0.80073497 0.80834625 0.67620465 0.51402227 0.29892269 0.80977307 0.51402227 0.20107731 0.32379535 0.48597773 0.70107731 0.19022693 0.48597773 0.79892269 0.29431918 0.26470076 0.30128949 0.44098006 0.26470076 0.19871051 0.70568082 0.73529924 0.69871051 0.55901994 0.73529924 0.80128949 0.07167080 0.43571536 0.26697180 0.49261384 0.43571536 0.23302820 -0.07167080 0.56428464 0.73302820 0.50738616 0.56428464 0.76697180 0.00806502 0.65176743 0.15848839 0.34016755 0.65176743 0.34151161 -0.00806502 0.34823257 0.84151161 0.65983245 0.34823257 0.65848839 0.78869058 0.10025736 0.15558012 0.11105206 0.10025736 0.34441988 0.21130942 0.89974264 0.84441988 0.88894794 0.89974264 0.65558012 M6_341_750_D2_0.08_e3 1 10.023085 0.000000 -0.042940 5.011542 3.585179 -0.021470 -3.824365 0.000000 23.996233 Mg S O H 4 4 40 48 Direct configuration= 28 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05989991 0.88020018 0.25000000 0.94010009 0.11979982 0.75000000 0.42277201 0.89388624 0.12333194 0.68334176 0.89388624 0.37666806 0.57722799 0.10611376 0.87666806 0.31665824 0.10611376 0.62333194 0.17862075 0.19275892 0.13635161 0.62862033 0.19275892 0.36364839 0.82137925 0.80724108 0.86364839 0.37137967 0.80724108 0.63635161 0.55013020 0.87918185 0.16791737 0.57068794 0.87918185 0.33208263 0.44986980 0.12081815 0.83208263 0.42931206 0.12081815 0.66791737 0.42104341 0.98239860 0.06813074 0.59655799 0.98239860 0.43186926 0.57895659 0.01760140 0.93186926 0.40344201 0.01760140 0.56813074 0.53595287 0.52555260 0.11811845 0.93849452 0.52555260 0.38188155 0.46404713 0.47444740 0.88188155 0.06150548 0.47444740 0.61811845 0.87190302 0.43783656 0.04630561 0.69026042 0.43783656 0.45369439 0.12809698 0.56216344 0.95369439 0.30973958 0.56216344 0.54630561 0.20801650 0.65688740 0.06856239 0.13509609 0.65688740 0.43143761 0.79198350 0.34311260 0.93143761 0.86490391 0.34311260 0.56856239 0.76082583 0.10302064 0.02161821 0.13615353 0.10302064 0.47838179 0.23917417 -0.10302064 0.97838179 0.86384647 -0.10302064 0.52161821 0.72895684 0.30230148 0.27977286 0.96874168 0.30230148 0.22022714 0.27104316 0.69769852 0.72022714 0.03125832 0.69769852 0.77977286 0.13945522 0.49029770 0.28212644 0.37024707 0.49029770 0.21787356 0.86054478 0.50970230 0.71787356 0.62975293 0.50970230 0.78212644 0.91447196 0.88196280 0.18017295 0.20356524 0.88196280 0.31982705 0.08552804 0.11803720 0.81982705 0.79643476 0.11803720 0.68017295 -0.02878188 0.36996414 0.07965832 0.65881774 0.36996414 0.42034168 0.02878188 0.63003586 0.92034168 0.34118226 0.63003586 0.57965832 0.71094918 0.64536892 0.05578628 0.64368190 0.64536892 0.44421372 0.28905082 0.35463108 0.94421372 0.35631810 0.35463108 0.55578628 0.27897936 0.41642715 0.06678272 0.30459349 0.41642715 0.43321728 0.72102064 0.58357285 0.93321728 0.69540651 0.58357285 0.56678272 0.32017318 0.61307880 0.09052844 0.06674802 0.61307880 0.40947156 0.67982682 0.38692120 0.90947156 0.93325198 0.38692120 0.59052844 0.66005398 0.27512907 0.05162142 0.06481695 0.27512907 0.44837858 0.33994602 0.72487093 0.94837858 0.93518305 0.72487093 0.55162142 0.69666806 0.06128319 -0.00358023 0.24204874 0.06128319 0.50358023 0.30333194 0.93871681 0.00358023 0.75795126 0.93871681 0.49641977 0.73050245 0.19979879 0.30830645 0.06969877 0.19979879 0.19169355 0.26949755 0.80020121 0.69169355 0.93030123 0.80020121 0.80830645 0.67565790 0.51422798 0.29883347 0.81011412 0.51422798 0.20116653 0.32434210 0.48577202 0.70116653 0.18988588 0.48577202 0.79883347 0.29391666 0.26472094 0.30125594 0.44136240 0.26472094 0.19874406 0.70608334 0.73527906 0.69874406 0.55863760 0.73527906 0.80125594 0.07192150 0.43481242 0.26685898 0.49326608 0.43481242 0.23314102 -0.07192150 0.56518758 0.73314102 0.50673392 0.56518758 0.76685898 0.00808734 0.65166085 0.15846028 0.34025181 0.65166085 0.34153972 -0.00808734 0.34833915 0.84153972 0.65974819 0.34833915 0.65846028 0.78845937 0.10067353 0.15552186 0.11086710 0.10067353 0.34447814 0.21154063 0.89932647 0.84447814 0.88913290 0.89932647 0.65552186 M6_341_750_D2_0.08_e3 1 10.021328 0.000000 -0.042442 5.010664 3.585909 -0.021221 -3.822520 0.000000 23.992184 Mg S O H 4 4 40 48 Direct configuration= 29 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05953280 0.88093440 0.25000000 0.94046720 0.11906560 0.75000000 0.42271929 0.89390753 0.12332178 0.68337318 0.89390753 0.37667822 0.57728071 0.10609247 0.87667822 0.31662682 0.10609247 0.62332178 0.17845803 0.19289462 0.13628553 0.62864735 0.19289462 0.36371447 0.82154197 0.80710538 0.86371447 0.37135265 0.80710538 0.63628553 0.55016986 0.87915438 0.16786875 0.57067576 0.87915438 0.33213125 0.44983014 0.12084562 0.83213125 0.42932424 0.12084562 0.66786875 0.42108101 0.98229678 0.06821953 0.59662221 0.98229678 0.43178047 0.57891899 0.01770322 0.93178047 0.40337779 0.01770322 0.56821953 0.53607255 0.52536186 0.11810565 0.93856559 0.52536186 0.38189435 0.46392745 0.47463814 0.88189435 0.06143441 0.47463814 0.61810565 0.87183070 0.43792034 0.04628874 0.69024896 0.43792034 0.45371126 0.12816930 0.56207966 0.95371126 0.30975104 0.56207966 0.54628874 0.20804435 0.65683366 0.06859110 0.13512199 0.65683366 0.43140890 0.79195565 0.34316634 0.93140890 0.86487801 0.34316634 0.56859110 0.76056328 0.10344381 0.02163648 0.13599291 0.10344381 0.47836352 0.23943672 -0.10344381 0.97836352 0.86400709 -0.10344381 0.52163648 0.72954734 0.30156075 0.27977948 0.96889190 0.30156075 0.22022052 0.27045266 0.69843925 0.72022052 0.03110810 0.69843925 0.77977948 0.13932861 0.49019258 0.28215481 0.37047881 0.49019258 0.21784519 0.86067139 0.50980742 0.71784519 0.62952119 0.50980742 0.78215481 0.91438113 0.88206597 0.18012616 0.20355289 0.88206597 0.31987384 0.08561887 0.11793403 0.81987384 0.79644711 0.11793403 0.68012616 -0.02917141 0.37056118 0.07967832 0.65861023 0.37056118 0.42032168 0.02917141 0.62943882 0.92032168 0.34138977 0.62943882 0.57967832 0.71111871 0.64524369 0.05583216 0.64363760 0.64524369 0.44416784 0.28888129 0.35475631 0.94416784 0.35636240 0.35475631 0.55583216 0.27896712 0.41659695 0.06679676 0.30443593 0.41659695 0.43320324 0.72103288 0.58340305 0.93320324 0.69556407 0.58340305 0.56679676 0.32036743 0.61250953 0.09052505 0.06712304 0.61250953 0.40947495 0.67963257 0.38749047 0.90947495 0.93287696 0.38749047 0.59052505 0.66008973 0.27495657 0.05163584 0.06495370 0.27495657 0.44836416 0.33991027 0.72504343 0.94836416 0.93504630 0.72504343 0.55163584 0.69644371 0.06135529 -0.00361126 0.24220100 0.06135529 0.50361126 0.30355629 0.93864471 0.00361126 0.75779900 0.93864471 0.49638874 0.73032743 0.19996568 0.30832092 0.06970690 0.19996568 0.19167908 0.26967257 0.80003432 0.69167908 0.93029310 0.80003432 0.80832092 0.67529644 0.51464288 0.29881511 0.81006068 0.51464288 0.20118489 0.32470356 0.48535712 0.70118489 0.18993932 0.48535712 0.79881511 0.29369719 0.26477571 0.30123966 0.44152710 0.26477571 0.19876034 0.70630281 0.73522429 0.69876034 0.55847290 0.73522429 0.80123966 0.07217252 0.43448317 0.26682588 0.49334431 0.43448317 0.23317412 -0.07217252 0.56551683 0.73317412 0.50665569 0.56551683 0.76682588 0.00808040 0.65162972 0.15843203 0.34028988 0.65162972 0.34156797 -0.00808040 0.34837028 0.84156797 0.65971012 0.34837028 0.65843203 0.78833218 0.10087598 0.15547607 0.11079184 0.10087598 0.34452393 0.21166782 0.89912402 0.84452393 0.88920816 0.89912402 0.65547607 M6_341_750_D2_0.08_e3 1 10.017847 0.000000 -0.041456 5.008924 3.587354 -0.020728 -3.818865 0.000000 23.984160 Mg S O H 4 4 40 48 Direct configuration= 30 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05880546 0.88238908 0.25000000 0.94119454 0.11761092 0.75000000 0.42261482 0.89394972 0.12330164 0.68343546 0.89394972 0.37669836 0.57738518 0.10605028 0.87669836 0.31656454 0.10605028 0.62330164 0.17813557 0.19316349 0.13615455 0.62870095 0.19316349 0.36384545 0.82186443 0.80683651 0.86384545 0.37129905 0.80683651 0.63615455 0.55024845 0.87909995 0.16777237 0.57065160 0.87909995 0.33222763 0.44975155 0.12090005 0.83222763 0.42934840 0.12090005 0.66777237 0.42115548 0.98209503 0.06839551 0.59674949 0.98209503 0.43160449 0.57884452 0.01790497 0.93160449 0.40325051 0.01790497 0.56839551 0.53630967 0.52498395 0.11808028 0.93870638 0.52498395 0.38191972 0.46369033 0.47501605 0.88191972 0.06129362 0.47501605 0.61808028 0.87168740 0.43808634 0.04625530 0.69022626 0.43808634 0.45374470 0.12831260 0.56191366 0.95374470 0.30977374 0.56191366 0.54625530 0.20809951 0.65672719 0.06864802 0.13517330 0.65672719 0.43135198 0.79190049 0.34327281 0.93135198 0.86482670 0.34327281 0.56864802 0.76004304 0.10428221 0.02167268 0.13567474 0.10428221 0.47832732 0.23995696 -0.10428221 0.97832732 0.86432526 -0.10428221 0.52167268 0.73071743 0.30009319 0.27979259 0.96918937 0.30009319 0.22020741 0.26928257 0.69990681 0.72020741 0.03081063 0.69990681 0.77979259 0.13907761 0.48998431 0.28221104 0.37093808 0.48998431 0.21778896 0.86092239 0.51001569 0.71778896 0.62906192 0.51001569 0.78221104 0.91420116 0.88227038 0.18003345 0.20352846 0.88227038 0.31996655 0.08579884 0.11772962 0.81996655 0.79647154 0.11772962 0.68003345 -0.02994324 0.37174406 0.07971797 0.65819917 0.37174406 0.42028203 0.02994324 0.62825594 0.92028203 0.34180083 0.62825594 0.57971797 0.71145466 0.64499557 0.05592307 0.64354978 0.64499557 0.44407693 0.28854534 0.35500443 0.94407693 0.35645022 0.35500443 0.55592307 0.27894291 0.41693335 0.06682458 0.30412374 0.41693335 0.43317542 0.72105709 0.58306665 0.93317542 0.69587626 0.58306665 0.56682458 0.32075222 0.61138167 0.09051834 0.06786611 0.61138167 0.40948166 0.67924778 0.38861833 0.90948166 0.93213389 0.38861833 0.59051834 0.66016052 0.27461480 0.05166441 0.06522467 0.27461480 0.44833559 0.33983948 0.72538520 0.94833559 0.93477533 0.72538520 0.55166441 0.69599909 0.06149813 -0.00367273 0.24250278 0.06149813 0.50367273 0.30400091 0.93850187 0.00367273 0.75749722 0.93850187 0.49632727 0.72998060 0.20029633 0.30834960 0.06972307 0.20029633 0.19165040 0.27001940 0.79970367 0.69165040 0.93027693 0.79970367 0.80834960 0.67458018 0.51546492 0.29877872 0.80995491 0.51546492 0.20122128 0.32541982 0.48453508 0.70122128 0.19004509 0.48453508 0.79877872 0.29326222 0.26488423 0.30120739 0.44185355 0.26488423 0.19879261 0.70673778 0.73511577 0.69879261 0.55814645 0.73511577 0.80120739 0.07266993 0.43383084 0.26676029 0.49349923 0.43383084 0.23323971 -0.07266993 0.56616916 0.73323971 0.50650077 0.56616916 0.76676029 0.00806665 0.65156804 0.15837603 0.34036531 0.65156804 0.34162397 -0.00806665 0.34843196 0.84162397 0.65963469 0.34843196 0.65837603 0.78808016 0.10127710 0.15538533 0.11064274 0.10127710 0.34461467 0.21191984 0.89872290 0.84461467 0.88935726 0.89872290 0.65538533 M6_341_750_D2_0.08_e3 1 10.015803 0.000000 -0.041223 5.007901 3.587991 -0.020611 -3.817528 0.000000 23.984129 Mg S O H 4 4 40 48 Direct configuration= 31 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05858113 0.88283775 0.25000000 0.94141887 0.11716225 0.75000000 0.42260333 0.89387110 0.12328011 0.68352557 0.89387110 0.37671989 0.57739667 0.10612890 0.87671989 0.31647443 0.10612890 0.62328011 0.17828296 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0.06170109 -0.00367281 0.24253028 0.06170109 0.50367281 0.30423137 0.93829891 0.00367281 0.75746972 0.93829891 0.49632719 0.72981851 0.20043092 0.30836901 0.06975057 0.20043092 0.19163099 0.27018149 0.79956908 0.69163099 0.93024943 0.79956908 0.80836901 0.67422271 0.51582042 0.29874333 0.80995687 0.51582042 0.20125667 0.32577729 0.48417958 0.70125667 0.19004313 0.48417958 0.79874333 0.29316137 0.26474616 0.30121337 0.44209246 0.26474616 0.19878663 0.70683863 0.73525384 0.69878663 0.55790754 0.73525384 0.80121337 0.07286148 0.43338184 0.26669690 0.49375668 0.43338184 0.23330310 -0.07286148 0.56661816 0.73330310 0.50624332 0.56661816 0.76669690 0.00798219 0.65168725 0.15833095 0.34033056 0.65168725 0.34166905 -0.00798219 0.34831275 0.84166905 0.65966944 0.34831275 0.65833095 0.78797310 0.10140972 0.15531938 0.11061719 0.10140972 0.34468062 0.21202690 0.89859028 0.84468062 0.88938281 0.89859028 0.65531938 M6_341_750_D2_0.08_e3 1 10.011895 0.000000 -0.040778 5.005947 3.589208 -0.020389 -3.814974 0.000000 23.984071 Mg S O H 4 4 40 48 Direct configuration= 32 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05815247 0.88369507 0.25000000 0.94184753 0.11630493 0.75000000 0.42258135 0.89372088 0.12323897 0.68369777 0.89372088 0.37676103 0.57741865 0.10627912 0.87676103 0.31630223 0.10627912 0.62323897 0.17856458 0.19206129 0.13607156 0.62937413 0.19206129 0.36392844 0.82143542 0.80793871 0.86392844 0.37062587 0.80793871 0.63607156 0.55008838 0.87901413 0.16771029 0.57089748 0.87901413 0.33228971 0.44991162 0.12098587 0.83228971 0.42910252 0.12098587 0.66771029 0.42124434 0.98199175 0.06841452 0.59676390 0.98199175 0.43158548 0.57875566 0.01800825 0.93158548 0.40323610 0.01800825 0.56841452 0.53602067 0.52586227 0.11816153 0.93811706 0.52586227 0.38183847 0.46397933 0.47413773 0.88183847 0.06188294 0.47413773 0.61816153 0.87148401 0.43839141 0.04620938 0.69012458 0.43839141 0.45379062 0.12851599 0.56160859 0.95379062 0.30987542 0.56160859 0.54620938 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0.72111866 0.58306502 0.93316305 0.69581632 0.58306502 0.56683695 0.32167885 0.60959162 0.09057211 0.06872953 0.60959162 0.40942789 0.67832115 0.39040838 0.90942789 0.93127047 0.39040838 0.59057211 0.65982691 0.27466784 0.05181337 0.06550525 0.27466784 0.44818663 0.34017309 0.72533216 0.94818663 0.93449475 0.72533216 0.55181337 0.69532818 0.06208892 -0.00367296 0.24258291 0.06208892 0.50367296 0.30467182 0.93791108 0.00367296 0.75741709 0.93791108 0.49632704 0.72950873 0.20068810 0.30840611 0.06980317 0.20068810 0.19159389 0.27049127 0.79931190 0.69159389 0.93019683 0.79931190 0.80840611 0.67353953 0.51649971 0.29867569 0.80996076 0.51649971 0.20132431 0.32646047 0.48350029 0.70132431 0.19003924 0.48350029 0.79867569 0.29296856 0.26448234 0.30122479 0.44254910 0.26448234 0.19877521 0.70703144 0.73551766 0.69877521 0.55745090 0.73551766 0.80122479 0.07322749 0.43252389 0.26657575 0.49424862 0.43252389 0.23342425 -0.07322749 0.56747611 0.73342425 0.50575138 0.56747611 0.76657575 0.00782081 0.65191503 0.15824480 0.34026416 0.65191503 0.34175520 -0.00782081 0.34808497 0.84175520 0.65973584 0.34808497 0.65824480 0.78776850 0.10166313 0.15519334 0.11056837 0.10166313 0.34480666 0.21223150 0.89833687 0.84480666 0.88943163 0.89833687 0.65519334 M6_341_750_D2_0.08_e3 1 10.009749 0.000000 -0.040414 5.004874 3.589802 -0.020207 -3.813278 0.000000 23.985305 Mg S O H 4 4 40 48 Direct configuration= 33 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05808969 0.88382063 0.25000000 0.94191031 0.11617937 0.75000000 0.42260169 0.89380920 0.12323126 0.68358911 0.89380920 0.37676874 0.57739831 0.10619080 0.87676874 0.31641089 0.10619080 0.62323126 0.17871681 0.19157704 0.13607610 0.62970616 0.19157704 0.36392390 0.82128319 0.80842296 0.86392390 0.37029384 0.80842296 0.63607610 0.55000861 0.87902292 0.16772569 0.57096847 0.87902292 0.33227431 0.44999139 0.12097708 0.83227431 0.42903153 0.12097708 0.66772569 0.42128052 0.98202197 0.06833709 0.59669751 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0.11727472 0.67986090 -0.03097951 0.37364147 0.07981724 0.65733804 0.37364147 0.42018276 0.03097951 0.62635853 0.92018276 0.34266196 0.62635853 0.57981724 0.71116019 0.64551768 0.05604177 0.64332213 0.64551768 0.44395823 0.28883981 0.35448232 0.94395823 0.35667787 0.35448232 0.55604177 0.27879648 0.41689636 0.06682921 0.30430716 0.41689636 0.43317079 0.72120352 0.58310364 0.93317079 0.69569284 0.58310364 0.56682921 0.32200205 0.60897895 0.09059039 0.06901900 0.60897895 0.40940961 0.67799795 0.39102105 0.90940961 0.93098100 0.39102105 0.59059039 0.65985515 0.27436965 0.05181609 0.06577520 0.27436965 0.44818391 0.34014485 0.72563035 0.94818391 0.93422480 0.72563035 0.55181609 0.69498180 0.06237305 -0.00368074 0.24264515 0.06237305 0.50368074 0.30501820 0.93762695 0.00368074 0.75735485 0.93762695 0.49631926 0.72937672 0.20083648 0.30841426 0.06978681 0.20083648 0.19158574 0.27062328 0.79916352 0.69158574 0.93021319 0.79916352 0.80841426 0.67319786 0.51676452 0.29862041 0.81003762 0.51676452 0.20137959 0.32680214 0.48323548 0.70137959 0.18996238 0.48323548 0.79862041 0.29273876 0.26453339 0.30122662 0.44272785 0.26453339 0.19877338 0.70726124 0.73546661 0.69877338 0.55727215 0.73546661 0.80122662 0.07334709 0.43197610 0.26647405 0.49467681 0.43197610 0.23352595 -0.07334709 0.56802390 0.73352595 0.50532319 0.56802390 0.76647405 0.00764922 0.65222059 0.15818637 0.34013019 0.65222059 0.34181363 -0.00764922 0.34777941 0.84181363 0.65986981 0.34777941 0.65818637 0.78778690 0.10155945 0.15512996 0.11065365 0.10155945 0.34487004 0.21221310 0.89844055 0.84487004 0.88934635 0.89844055 0.65512996 M6_341_750_D2_0.08_e3 1 10.006155 0.000000 -0.039803 5.003078 3.590797 -0.019902 -3.810438 0.000000 23.987369 Mg S O H 4 4 40 48 Direct configuration= 34 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05798460 0.88403080 0.25000000 0.94201540 0.11596920 0.75000000 0.42263577 0.89395706 0.12321836 0.68340717 0.89395706 0.37678164 0.57736423 0.10604294 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10.002161 0.000000 -0.039328 5.001081 3.591727 -0.019664 -3.807772 0.000000 23.988788 Mg S O H 4 4 40 48 Direct configuration= 35 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05816115 0.88367770 0.25000000 0.94183885 0.11632230 0.75000000 0.42271805 0.89388419 0.12316238 0.68339776 0.89388419 0.37683762 0.57728195 0.10611581 0.87683762 0.31660224 0.10611581 0.62316238 0.17901775 0.19039274 0.13611490 0.63058950 0.19039274 0.36388510 0.82098225 0.80960726 0.86388510 0.36941050 0.80960726 0.63611490 0.54982202 0.87920096 0.16781830 0.57097702 0.87920096 0.33218170 0.45017798 0.12079904 0.83218170 0.42902298 0.12079904 0.66781830 0.42139969 0.98208511 0.06811250 0.59651520 0.98208511 0.43188750 0.57860031 0.01791489 0.93188750 0.40348480 0.01791489 0.56811250 0.53574069 0.52613167 0.11828573 0.93812764 0.52613167 0.38171427 0.46425931 0.47386833 0.88171427 0.06187236 0.47386833 0.61828573 0.87089869 0.43957283 0.04631945 0.68952848 0.43957283 0.45368055 0.12910131 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