M6_341_750_D2_0.04_e4_accurate 1 9.966286 0.000000 -0.032835 4.983143 3.596480 -0.016418 -3.778712 0.000000 23.944691 Mg S O H 4 4 40 48 Direct configuration= 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.06040939 0.87918121 0.25000000 0.93959061 0.12081879 0.75000000 0.42296999 0.89320601 0.12323380 0.68382400 0.89320601 0.37676620 0.57703001 0.10679399 0.87676620 0.31617600 0.10679399 0.62323380 0.17919782 0.18927266 0.13610001 0.63152953 0.18927266 0.36389999 0.82080218 0.81072734 0.86389999 0.36847047 0.81072734 0.63610001 0.54899029 0.88127031 0.16788524 0.56973939 0.88127031 0.33211476 0.45100971 0.11872969 0.83211476 0.43026061 0.11872969 0.66788524 0.42184763 0.98128622 0.06810209 0.59686615 0.98128622 0.43189791 0.57815237 0.01871378 0.93189791 0.40313385 0.01871378 0.56810209 0.53610060 0.52561549 0.11815704 0.93828391 0.52561549 0.38184296 0.46389940 0.47438451 0.88184296 0.06171609 0.47438451 0.61815704 0.86952903 0.44174258 0.04648182 0.68872839 0.44174258 0.45351818 0.13047097 0.55825742 0.95351818 0.31127161 0.55825742 0.54648182 0.20828488 0.65535132 0.06927118 0.13636380 0.65535132 0.43072882 0.79171512 0.34464868 0.93072882 0.86363620 0.34464868 0.56927118 0.75578910 0.10938855 0.02107480 0.13482235 0.10938855 0.47892520 0.24421090 0.89061145 0.97892520 0.86517765 0.89061145 0.52107480 0.73267901 0.29715943 0.28060799 0.97016156 0.29715943 0.21939201 0.26732099 0.70284057 0.71939201 0.02983844 0.70284057 0.78060799 0.13608216 0.49084197 0.28227028 0.37307587 0.49084197 0.21772972 0.86391784 0.50915803 0.71772972 0.62692413 0.50915803 0.78227028 0.91253809 0.88372784 0.17931951 0.20373407 0.88372784 0.32068049 0.08746191 0.11627216 0.82068049 0.79626593 0.11627216 0.67931951 0.96804064 0.37637983 0.07993690 0.65557953 0.37637983 0.42006310 0.03195936 0.62362017 0.92006310 0.34442047 0.62362017 0.57993690 0.70827810 0.64853786 0.05586157 0.64318403 0.64853786 0.44413843 0.29172190 0.35146214 0.94413843 0.35681597 0.35146214 0.55586157 0.27680730 0.41731313 0.06659099 0.30587957 0.41731313 0.43340901 0.72319270 0.58268687 0.93340901 0.69412043 0.58268687 0.56659099 0.32461330 0.60405582 0.09076683 0.07133089 0.60405582 0.40923317 0.67538670 0.39594418 0.90923317 0.92866911 0.39594418 0.59076683 0.65929763 0.27220545 0.05198000 0.06849692 0.27220545 0.44802000 0.34070237 0.72779455 0.94802000 0.93150308 0.72779455 0.55198000 0.69065390 0.06673491 0.99628449 0.24261119 0.06673491 0.50371551 0.30934610 0.93326509 0.00371551 0.75738881 0.93326509 0.49628449 0.72935513 0.20033567 0.30920847 0.07030920 0.20033567 0.19079153 0.27064487 0.79966433 0.69079153 0.92969080 0.79966433 0.80920847 0.67082067 0.51902412 0.29840655 0.81015521 0.51902412 0.20159345 0.32917933 0.48097588 0.70159345 0.18984479 0.48097588 0.79840655 0.29024466 0.26630696 0.30146398 0.44344838 0.26630696 0.19853602 0.70975534 0.73369304 0.69853602 0.55655162 0.73369304 0.80146398 0.07402150 0.42777845 0.26529016 0.49820005 0.42777845 0.23470984 0.92597850 0.57222155 0.73470984 0.50179995 0.57222155 0.76529016 0.00596506 0.65528369 0.15732006 0.33875124 0.65528369 0.34267994 0.99403494 0.34471631 0.84267994 0.66124876 0.34471631 0.65732006 0.78780385 0.10141697 0.15440696 0.11077918 0.10141697 0.34559304 0.21219615 0.89858303 0.84559304 0.88922082 0.89858303 0.65440696 M6_341_750_D2_0.04_e4_accurate 1 9.962864 0.000000 -0.034829 4.981432 3.596164 -0.017414 -3.782212 -0.000000 23.942338 Mg S O H 4 4 40 48 Direct configuration= 2 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06013421 0.87973158 0.25000000 0.93986579 0.12026842 0.75000000 0.42295262 0.89334250 0.12316563 0.68370488 0.89334250 0.37683437 0.57704738 0.10665750 0.87683437 0.31629512 0.10665750 0.62316563 0.17870115 0.18977874 0.13609252 0.63152012 0.18977874 0.36390748 0.82129885 0.81022126 0.86390748 0.36847988 0.81022126 0.63609252 0.54936768 0.88097870 0.16797024 0.56965361 0.88097870 0.33202976 0.45063232 0.11902130 0.83202976 0.43034639 0.11902130 0.66797024 0.42177952 0.98153677 0.06803798 0.59668372 0.98153677 0.43196202 0.57822048 0.01846323 0.93196202 0.40331628 0.01846323 0.56803798 0.53634366 0.52517595 0.11820439 0.93848039 0.52517595 0.38179561 0.46365634 0.47482405 0.88179561 0.06151961 0.47482405 0.61820439 0.86958655 0.44132598 0.04637360 0.68908748 0.44132598 0.45362640 0.13041345 0.55867402 0.95362640 0.31091252 0.55867402 0.54637360 0.20797334 0.65553368 0.06921114 0.13649298 0.65553368 0.43078886 0.79202666 0.34446632 0.93078886 0.86350702 0.34446632 0.56921114 0.75588748 0.10914227 0.02104591 0.13497025 0.10914227 0.47895409 0.24411252 0.89085773 0.97895409 0.86502975 0.89085773 0.52104591 0.73269954 0.29677445 0.28046953 0.97052601 0.29677445 0.21953047 0.26730046 0.70322555 0.71953047 0.02947399 0.70322555 0.78046953 0.13628461 0.49047980 0.28224650 0.37323558 0.49047980 0.21775350 0.86371539 0.50952020 0.71775350 0.62676442 0.50952020 0.78224650 0.91263435 0.88368277 0.17935139 0.20368288 0.88368277 0.32064861 0.08736565 0.11631723 0.82064861 0.79631712 0.11631723 0.67935139 0.96771602 0.37670523 0.07991781 0.65557875 0.37670523 0.42008219 0.03228398 0.62329477 0.92008219 0.34442125 0.62329477 0.57991781 0.70860608 0.64814512 0.05587698 0.64324879 0.64814512 0.44412302 0.29139392 0.35185488 0.94412302 0.35675121 0.35185488 0.55587698 0.27673942 0.41754416 0.06660477 0.30571641 0.41754416 0.43339523 0.72326058 0.58245584 0.93339523 0.69428359 0.58245584 0.56660477 0.32442456 0.60403027 0.09074277 0.07154519 0.60403027 0.40925723 0.67557544 0.39596973 0.90925723 0.92845481 0.39596973 0.59074277 0.65911987 0.27267184 0.05205526 0.06820829 0.27267184 0.44794474 0.34088013 0.72732816 0.94794474 0.93179171 0.72732816 0.55205526 0.69054525 0.06676843 0.99619794 0.24268633 0.06676843 0.50380206 0.30945475 0.93323157 0.00380206 0.75731367 0.93323157 0.49619794 0.72947493 0.20033591 0.30932360 0.07018916 0.20033591 0.19067640 0.27052507 0.79966409 0.69067640 0.92981084 0.79966409 0.80932360 0.67098573 0.51881748 0.29847233 0.81019678 0.51881748 0.20152767 0.32901427 0.48118252 0.70152767 0.18980322 0.48118252 0.79847233 0.28983101 0.26683520 0.30144939 0.44333379 0.26683520 0.19855061 0.71016899 0.73316480 0.69855061 0.55666621 0.73316480 0.80144939 0.07391740 0.42775608 0.26523345 0.49832652 0.42775608 0.23476655 0.92608260 0.57224392 0.73476655 0.50167348 0.57224392 0.76523345 0.00620662 0.65476954 0.15725616 0.33902383 0.65476954 0.34274384 0.99379338 0.34523046 0.84274384 0.66097617 0.34523046 0.65725616 0.78767534 0.10186242 0.15442830 0.11046224 0.10186242 0.34557170 0.21232466 0.89813758 0.84557170 0.88953776 0.89813758 0.65442830 M6_341_750_D2_0.04_e4_accurate 1 9.964054 0.000000 -0.034136 4.982027 3.596274 -0.017068 -3.780995 -0.000000 23.943156 Mg S O H 4 4 40 48 Direct configuration= 3 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06022989 0.87954021 0.25000000 0.93977011 0.12045979 0.75000000 0.42295866 0.89329504 0.12318933 0.68374630 0.89329504 0.37681067 0.57704134 0.10670496 0.87681067 0.31625370 0.10670496 0.62318933 0.17887387 0.18960277 0.13609513 0.63152337 0.18960277 0.36390487 0.82112613 0.81039723 0.86390487 0.36847663 0.81039723 0.63609513 0.54923642 0.88108009 0.16794068 0.56968347 0.88108009 0.33205932 0.45076358 0.11891991 0.83205932 0.43031653 0.11891991 0.66794068 0.42180320 0.98144965 0.06806027 0.59674715 0.98144965 0.43193973 0.57819680 0.01855035 0.93193973 0.40325285 0.01855035 0.56806027 0.53625913 0.52532878 0.11818793 0.93841208 0.52532878 0.38181207 0.46374087 0.47467122 0.88181207 0.06158792 0.47467122 0.61818793 0.86956658 0.44147083 0.04641123 0.68896259 0.44147083 0.45358877 0.13043342 0.55852917 0.95358877 0.31103741 0.55852917 0.54641123 0.20808169 0.65547027 0.06923202 0.13644803 0.65547027 0.43076798 0.79191831 0.34452973 0.93076798 0.86355197 0.34452973 0.56923202 0.75585328 0.10922791 0.02105596 0.13491881 0.10922791 0.47894404 0.24414672 0.89077209 0.97894404 0.86508119 0.89077209 0.52105596 0.73269244 0.29690831 0.28051768 0.97039925 0.29690831 0.21948232 0.26730756 0.70309169 0.71948232 0.02960075 0.70309169 0.78051768 0.13621422 0.49060573 0.28225477 0.37318005 0.49060573 0.21774523 0.86378578 0.50939427 0.71774523 0.62681995 0.50939427 0.78225477 0.91260087 0.88369844 0.17934030 0.20370069 0.88369844 0.32065970 0.08739913 0.11630156 0.82065970 0.79629931 0.11630156 0.67934030 0.96782891 0.37659209 0.07992445 0.65557900 0.37659209 0.42007555 0.03217109 0.62340791 0.92007555 0.34442100 0.62340791 0.57992445 0.70849202 0.64828168 0.05587162 0.64322629 0.64828168 0.44412838 0.29150798 0.35171832 0.94412838 0.35677371 0.35171832 0.55587162 0.27676302 0.41746383 0.06659998 0.30577315 0.41746383 0.43340002 0.72323698 0.58253617 0.93340002 0.69422685 0.58253617 0.56659998 0.32449021 0.60403915 0.09075114 0.07147065 0.60403915 0.40924886 0.67550979 0.39596085 0.90924886 0.92852935 0.39596085 0.59075114 0.65918167 0.27250967 0.05202909 0.06830866 0.27250967 0.44797091 0.34081833 0.72749033 0.94797091 0.93169134 0.72749033 0.55202909 0.69058305 0.06675677 0.99622804 0.24266018 0.06675677 0.50377196 0.30941695 0.93324323 0.00377196 0.75733982 0.93324323 0.49622804 0.72943325 0.20033583 0.30928356 0.07023092 0.20033583 0.19071644 0.27056675 0.79966417 0.69071644 0.92976908 0.79966417 0.80928356 0.67092832 0.51888933 0.29844946 0.81018234 0.51888933 0.20155054 0.32907168 0.48111067 0.70155054 0.18981766 0.48111067 0.79844946 0.28997486 0.26665153 0.30145447 0.44337362 0.26665153 0.19854553 0.71002514 0.73334847 0.69854553 0.55662638 0.73334847 0.80145447 0.07395361 0.42776386 0.26525317 0.49828253 0.42776386 0.23474683 0.92604639 0.57223614 0.73474683 0.50171747 0.57223614 0.76525317 0.00612264 0.65494832 0.15727838 0.33892904 0.65494832 0.34272162 0.99387736 0.34505168 0.84272162 0.66107096 0.34505168 0.65727838 0.78772001 0.10170753 0.15442088 0.11057246 0.10170753 0.34557912 0.21227999 0.89829247 0.84557912 0.88942754 0.89829247 0.65442088 M6_341_750_D2_0.04_e4_accurate 1 9.959805 0.000000 -0.035771 4.979903 3.595585 -0.017886 -3.783336 -0.000000 23.936533 Mg S O H 4 4 40 48 Direct configuration= 4 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06004111 0.87991777 0.25000000 0.93995889 0.12008223 0.75000000 0.42295094 0.89340824 0.12321312 0.68364082 0.89340824 0.37678688 0.57704906 0.10659176 0.87678688 0.31635918 0.10659176 0.62321312 0.17872587 0.18971250 0.13606609 0.63156163 0.18971250 0.36393391 0.82127413 0.81028750 0.86393391 0.36843837 0.81028750 0.63606609 0.54939087 0.88087422 0.16794780 0.56973490 0.88087422 0.33205220 0.45060913 0.11912578 0.83205220 0.43026510 0.11912578 0.66794780 0.42174342 0.98163382 0.06802330 0.59662276 0.98163382 0.43197670 0.57825658 0.01836618 0.93197670 0.40337724 0.01836618 0.56802330 0.53637025 0.52522011 0.11821677 0.93840965 0.52522011 0.38178323 0.46362975 0.47477989 0.88178323 0.06159035 0.47477989 0.61821677 0.86966521 0.44111297 0.04634443 0.68922182 0.44111297 0.45365557 0.13033479 0.55888703 0.95365557 0.31077818 0.55888703 0.54634443 0.20781260 0.65577821 0.06919800 0.13640919 0.65577821 0.43080200 0.79218740 0.34422179 0.93080200 0.86359081 0.34422179 0.56919800 0.75572645 0.10932376 0.02108535 0.13494979 0.10932376 0.47891465 0.24427355 0.89067624 0.97891465 0.86505021 0.89067624 0.52108535 0.73255880 0.29686689 0.28048444 0.97057431 0.29686689 0.21951556 0.26744120 0.70313311 0.71951556 0.02942569 0.70313311 0.78048444 0.13605417 0.49073277 0.28218727 0.37321306 0.49073277 0.21781273 0.86394583 0.50926723 0.71781273 0.62678694 0.50926723 0.78218727 0.91272182 0.88348551 0.17930808 0.20379268 0.88348551 0.32069192 0.08727818 0.11651449 0.82069192 0.79620732 0.11651449 0.67930808 0.96756539 0.37682645 0.07989243 0.65560816 0.37682645 0.42010757 0.03243461 0.62317355 0.92010757 0.34439184 0.62317355 0.57989243 0.70870949 0.64800341 0.05587298 0.64328710 0.64800341 0.44412702 0.29129051 0.35199659 0.94412702 0.35671290 0.35199659 0.55587298 0.27672291 0.41749890 0.06660223 0.30577819 0.41749890 0.43339777 0.72327709 0.58250110 0.93339777 0.69422181 0.58250110 0.56660223 0.32428243 0.60407203 0.09072689 0.07164555 0.60407203 0.40927311 0.67571757 0.39592797 0.90927311 0.92835445 0.39592797 0.59072689 0.65921094 0.27259280 0.05203279 0.06819626 0.27259280 0.44796721 0.34078906 0.72740720 0.94796721 0.93180374 0.72740720 0.55203279 0.69049354 0.06682363 0.99616243 0.24268283 0.06682363 0.50383757 0.30950646 0.93317637 0.00383757 0.75731717 0.93317637 0.49616243 0.72956863 0.20037847 0.30933903 0.07005290 0.20037847 0.19066097 0.27043137 0.79962153 0.69066097 0.92994710 0.79962153 0.80933903 0.67116801 0.51840500 0.29846895 0.81042699 0.51840500 0.20153105 0.32883199 0.48159500 0.70153105 0.18957301 0.48159500 0.79846895 0.28988128 0.26670457 0.30147309 0.44341415 0.26670457 0.19852691 0.71011872 0.73329543 0.69852691 0.55658585 0.73329543 0.80147309 0.07389012 0.42774650 0.26520644 0.49836338 0.42774650 0.23479356 0.92610988 0.57225350 0.73479356 0.50163662 0.57225350 0.76520644 0.00619439 0.65484486 0.15725554 0.33896074 0.65484486 0.34274446 0.99380561 0.34515514 0.84274446 0.66103926 0.34515514 0.65725554 0.78771553 0.10191312 0.15446212 0.11037135 0.10191312 0.34553788 0.21228447 0.89808688 0.84553788 0.88962865 0.89808688 0.65446212 M6_341_750_D2_0.04_e4_accurate 1 9.957148 0.000000 -0.036794 4.978574 3.595154 -0.018397 -3.784801 -0.000000 23.932391 Mg S O H 4 4 40 48 Direct configuration= 5 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05992300 0.88015400 0.25000000 0.94007700 0.11984600 0.75000000 0.42294612 0.89347906 0.12322800 0.68357481 0.89347906 0.37677200 0.57705388 0.10652094 0.87677200 0.31642519 0.10652094 0.62322800 0.17863326 0.18978116 0.13604792 0.63158560 0.18978116 0.36395208 0.82136674 0.81021884 0.86395208 0.36841440 0.81021884 0.63604792 0.54948751 0.88074542 0.16795226 0.56976706 0.88074542 0.33204774 0.45051249 0.11925458 0.83204774 0.43023294 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M6_341_750_D2_0.04_e4_accurate 1 9.953397 0.000000 -0.037567 4.976698 3.594552 -0.018784 -3.785257 -0.000000 23.925714 Mg S O H 4 4 40 48 Direct configuration= 7 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05982957 0.88034086 0.25000000 0.94017043 0.11965914 0.75000000 0.42285370 0.89347853 0.12319973 0.68366777 0.89347853 0.37680027 0.57714630 0.10652147 0.87680027 0.31633223 0.10652147 0.62319973 0.17869352 0.18967932 0.13601637 0.63162717 0.18967932 0.36398363 0.82130648 0.81032068 0.86398363 0.36837283 0.81032068 0.63601637 0.54960534 0.88069331 0.16796709 0.56970135 0.88069331 0.33203291 0.45039466 0.11930669 0.83203291 0.43029865 0.11930669 0.66796709 0.42165845 0.98185174 0.06802066 0.59648981 0.98185174 0.43197934 0.57834155 0.01814826 0.93197934 0.40351019 0.01814826 0.56802066 0.53645605 0.52529055 0.11825573 0.93825340 0.52529055 0.38174427 0.46354395 0.47470945 0.88174427 0.06174660 0.47470945 0.61825573 0.86979007 0.44064210 0.04624592 0.68956783 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M6_341_750_D2_0.04_e4_accurate 1 9.945268 0.000000 -0.039186 4.972634 3.595204 -0.019593 -3.786101 -0.000000 23.914205 Mg S O H 4 4 40 48 Direct configuration= 10 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05987449 0.88025102 0.25000000 0.94012551 0.11974898 0.75000000 0.42307331 0.89340710 0.12322752 0.68351959 0.89340710 0.37677248 0.57692669 0.10659290 0.87677248 0.31648041 0.10659290 0.62322752 0.17877144 0.18950033 0.13593379 0.63172824 0.18950033 0.36406621 0.82122856 0.81049967 0.86406621 0.36827176 0.81049967 0.63593379 0.54960809 0.88095876 0.16794297 0.56943314 0.88095876 0.33205703 0.45039191 0.11904124 0.83205703 0.43056686 0.11904124 0.66794297 0.42155548 0.98206452 0.06809020 0.59638000 0.98206452 0.43190980 0.57844452 0.01793548 0.93190980 0.40362000 0.01793548 0.56809020 0.53650921 0.52532221 0.11826162 0.93816858 0.52532221 0.38173838 0.46349079 0.47467779 0.88173838 0.06183142 0.47467779 0.61826162 0.86971587 0.44052497 0.04615599 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0.35229711 0.55566791 0.27601458 0.41771597 0.06648646 0.30626945 0.41771597 0.43351354 0.72398542 0.58228403 0.93351354 0.69373055 0.58228403 0.56648646 0.32338119 0.60492536 0.09070504 0.07169347 0.60492536 0.40929496 0.67661881 0.39507464 0.90929496 0.92830653 0.39507464 0.59070504 0.65890340 0.27327050 0.05204520 0.06782610 0.27327050 0.44795480 0.34109660 0.72672950 0.94795480 0.93217390 0.72672950 0.55204520 0.68966623 0.06791022 0.99593939 0.24242355 0.06791022 0.50406061 0.31033377 0.93208978 0.00406061 0.75757645 0.93208978 0.49593939 0.73051396 0.19932406 0.30962087 0.07016198 0.19932406 0.19037913 0.26948604 0.80067594 0.69037913 0.92983802 0.80067594 0.80962087 0.67199203 0.51717471 0.29847489 0.81083326 0.51717471 0.20152511 0.32800797 0.48282529 0.70152511 0.18916674 0.48282529 0.79847489 0.28903566 0.26747610 0.30150361 0.44348824 0.26747610 0.19849639 0.71096434 0.73252390 0.69849639 0.55651176 0.73252390 0.80150361 0.07331830 0.42770016 0.26486592 0.49898154 0.42770016 0.23513408 0.92668170 0.57229984 0.73513408 0.50101846 0.57229984 0.76486592 0.00642072 0.65452950 0.15704518 0.33904976 0.65452950 0.34295482 0.99357928 0.34547050 0.84295482 0.66095024 0.34547050 0.65704518 0.78780544 0.10254401 0.15458206 0.10965055 0.10254401 0.34541794 0.21219456 0.89745599 0.84541794 0.89034945 0.89745599 0.65458206 M6_341_750_D2_0.04_e4_accurate 1 9.941110 0.000000 -0.040220 4.970555 3.595565 -0.020110 -3.787018 -0.000000 23.910557 Mg S O H 4 4 40 48 Direct configuration= 11 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05995895 0.88008210 0.25000000 0.94004105 0.11991790 0.75000000 0.42311877 0.89330954 0.12325038 0.68357168 0.89330954 0.37674962 0.57688123 0.10669046 0.87674962 0.31642832 0.10669046 0.62325038 0.17875210 0.18947853 0.13590272 0.63176937 0.18947853 0.36409728 0.82124790 0.81052147 0.86409728 0.36823063 0.81052147 0.63590272 0.54969853 0.88110880 0.16796678 0.56919266 0.88110880 0.33203322 0.45030147 0.11889120 0.83203322 0.43080734 0.11889120 0.66796678 0.42154451 0.98219191 0.06807211 0.59626359 0.98219191 0.43192789 0.57845549 0.01780809 0.93192789 0.40373641 0.01780809 0.56807211 0.53655380 0.52527039 0.11825922 0.93817581 0.52527039 0.38174078 0.46344620 0.47472961 0.88174078 0.06182419 0.47472961 0.61825922 0.86965624 0.44055576 0.04613181 0.68978800 0.44055576 0.45386819 0.13034376 0.55944424 0.95386819 0.31021200 0.55944424 0.54613181 0.20653665 0.65655305 0.06918715 0.13691030 0.65655305 0.43081285 0.79346335 0.34344695 0.93081285 0.86308970 0.34344695 0.56918715 0.75547365 0.10906477 0.02109431 0.13546158 0.10906477 0.47890569 0.24452635 0.89093523 0.97890569 0.86453842 0.89093523 0.52109431 0.73183793 0.29677484 0.28046655 0.97138723 0.29677484 0.21953345 0.26816207 0.70322516 0.71953345 0.02861277 0.70322516 0.78046655 0.13537632 0.49096582 0.28185785 0.37365786 0.49096582 0.21814215 0.86462368 0.50903418 0.71814215 0.62634214 0.50903418 0.78185785 0.91342503 0.88270827 0.17919819 0.20386670 0.88270827 0.32080181 0.08657497 0.11729173 0.82080181 0.79613330 0.11729173 0.67919819 0.96769186 0.37625462 0.07973681 0.65605352 0.37625462 0.42026319 0.03230814 0.62374538 0.92026319 0.34394648 0.62374538 0.57973681 0.70847338 0.64768549 0.05556122 0.64384112 0.64768549 0.44443878 0.29152662 0.35231451 0.94443878 0.35615888 0.35231451 0.55556122 0.27565092 0.41790912 0.06642804 0.30643996 0.41790912 0.43357196 0.72434908 0.58209088 0.93357196 0.69356004 0.58209088 0.56642804 0.32301106 0.60533716 0.09070101 0.07165179 0.60533716 0.40929899 0.67698894 0.39466284 0.90929899 0.92834821 0.39466284 0.59070101 0.65880793 0.27339905 0.05201884 0.06779302 0.27339905 0.44798116 0.34119207 0.72660095 0.94798116 0.93220698 0.72660095 0.55201884 0.68930688 0.06844397 0.99587980 0.24224915 0.06844397 0.50412020 0.31069312 0.93155603 0.00412020 0.75775085 0.93155603 0.49587980 0.73088480 0.19877233 0.30972246 0.07034286 0.19877233 0.19027754 0.26911520 0.80122767 0.69027754 0.92965714 0.80122767 0.80972246 0.67221647 0.51688062 0.29845985 0.81090291 0.51688062 0.20154015 0.32778353 0.48311938 0.70154015 0.18909709 0.48311938 0.79845985 0.28864682 0.26785923 0.30150053 0.44349395 0.26785923 0.19849947 0.71135318 0.73214077 0.69849947 0.55650605 0.73214077 0.80150053 0.07312844 0.42775089 0.26473590 0.49912067 0.42775089 0.23526410 0.92687156 0.57224911 0.73526410 0.50087933 0.57224911 0.76473590 0.00639139 0.65467447 0.15697290 0.33893413 0.65467447 0.34302710 0.99360861 0.34532553 0.84302710 0.66106587 0.34532553 0.65697290 0.78787267 0.10266906 0.15460983 0.10945827 0.10266906 0.34539017 0.21212733 0.89733094 0.84539017 0.89054173 0.89733094 0.65460983 M6_341_750_D2_0.04_e4_accurate 1 9.932794 0.000000 -0.042288 4.966397 3.596287 -0.021144 -3.788853 -0.000000 23.903259 Mg S O H 4 4 40 48 Direct configuration= 12 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06012785 0.87974429 0.25000000 0.93987215 0.12025571 0.75000000 0.42320968 0.89311445 0.12329610 0.68367587 0.89311445 0.37670390 0.57679032 0.10688555 0.87670390 0.31632413 0.10688555 0.62329610 0.17871340 0.18943494 0.13584057 0.63185166 0.18943494 0.36415943 0.82128660 0.81056506 0.86415943 0.36814834 0.81056506 0.63584057 0.54987957 0.88140885 0.16801442 0.56871157 0.88140885 0.33198558 0.45012043 0.11859115 0.83198558 0.43128843 0.11859115 0.66801442 0.42152261 0.98244665 0.06803594 0.59603075 0.98244665 0.43196406 0.57847739 0.01755335 0.93196406 0.40396925 0.01755335 0.56803594 0.53664299 0.52516676 0.11825441 0.93819025 0.52516676 0.38174559 0.46335701 0.47483324 0.88174559 0.06180975 0.47483324 0.61825441 0.86953693 0.44061732 0.04608345 0.68984576 0.44061732 0.45391655 0.13046307 0.55938268 0.95391655 0.31015424 0.55938268 0.54608345 0.20607112 0.65662629 0.06923744 0.13730260 0.65662629 0.43076256 0.79392888 0.34337371 0.93076256 0.86269740 0.34337371 0.56923744 0.75526284 0.10902229 0.02110140 0.13571487 0.10902229 0.47889860 0.24473716 0.89097771 0.97889860 0.86428513 0.89097771 0.52110140 0.73153024 0.29677722 0.28049934 0.97169254 0.29677722 0.21950066 0.26846976 0.70322278 0.71950066 0.02830746 0.70322278 0.78049934 0.13499861 0.49088323 0.28168837 0.37411816 0.49088323 0.21831163 0.86500139 0.50911677 0.71831163 0.62588184 0.50911677 0.78168837 0.91386026 0.88217705 0.17911949 0.20396269 0.88217705 0.32088051 0.08613974 0.11782295 0.82088051 0.79603731 0.11782295 0.67911949 0.96794976 0.37571478 0.07964105 0.65633546 0.37571478 0.42035895 0.03205024 0.62428522 0.92035895 0.34366454 0.62428522 0.57964105 0.70818035 0.64765070 0.05534779 0.64416894 0.64765070 0.44465221 0.29181965 0.35234930 0.94465221 0.35583106 0.35234930 0.55534779 0.27492338 0.41829538 0.06631114 0.30678125 0.41829538 0.43368886 0.72507662 0.58170462 0.93368886 0.69321875 0.58170462 0.56631114 0.32227070 0.60616068 0.09069293 0.07156863 0.60616068 0.40930707 0.67772930 0.39383932 0.90930707 0.92843137 0.39383932 0.59069293 0.65861699 0.27365610 0.05196611 0.06772691 0.27365610 0.44803389 0.34138301 0.72634390 0.94803389 0.93227309 0.72634390 0.55196611 0.68858815 0.06951135 0.99576058 0.24190050 0.06951135 0.50423942 0.31141185 0.93048865 0.00423942 0.75809950 0.93048865 0.49576058 0.73162655 0.19766899 0.30992567 0.07070446 0.19766899 0.19007433 0.26837345 0.80233101 0.69007433 0.92929554 0.80233101 0.80992567 0.67266537 0.51629252 0.29842977 0.81104211 0.51629252 0.20157023 0.32733463 0.48370748 0.70157023 0.18895789 0.48370748 0.79842977 0.28786903 0.26862539 0.30149435 0.44350558 0.26862539 0.19850565 0.71213097 0.73137461 0.69850565 0.55649442 0.73137461 0.80149435 0.07274853 0.42785234 0.26447582 0.49939913 0.42785234 0.23552418 0.92725147 0.57214766 0.73552418 0.50060087 0.57214766 0.76447582 0.00633275 0.65496437 0.15682831 0.33870287 0.65496437 0.34317169 0.99366725 0.34503563 0.84317169 0.66129713 0.34503563 0.65682831 0.78800725 0.10291915 0.15466539 0.10907360 0.10291915 0.34533461 0.21199275 0.89708085 0.84533461 0.89092640 0.89708085 0.65466539 M6_341_750_D2_0.04_e4_accurate 1 9.938334 0.000000 -0.040910 4.969167 3.595806 -0.020455 -3.787630 -0.000000 23.908121 Mg S O H 4 4 40 48 Direct configuration= 13 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06001534 0.87996930 0.25000000 0.93998466 0.12003070 0.75000000 0.42314912 0.89324440 0.12326563 0.68360648 0.89324440 0.37673437 0.57685088 0.10675560 0.87673437 0.31639352 0.10675560 0.62326563 0.17873924 0.18946398 0.13588199 0.63179679 0.18946398 0.36411801 0.82126076 0.81053602 0.86411801 0.36820321 0.81053602 0.63588199 0.54975873 0.88120899 0.16798265 0.56903227 0.88120899 0.33201735 0.45024127 0.11879101 0.83201735 0.43096773 0.11879101 0.66798265 0.42153713 0.98227696 0.06806004 0.59618591 0.98227696 0.43193996 0.57846287 0.01772304 0.93193996 0.40381409 0.01772304 0.56806004 0.53658356 0.52523579 0.11825761 0.93818066 0.52523579 0.38174239 0.46341644 0.47476421 0.88174239 0.06181934 0.47476421 0.61825761 0.86961647 0.44057631 0.04611569 0.68980721 0.44057631 0.45388431 0.13038353 0.55942369 0.95388431 0.31019279 0.55942369 0.54611569 0.20638150 0.65657750 0.06920395 0.13704099 0.65657750 0.43079605 0.79361850 0.34342250 0.93079605 0.86295901 0.34342250 0.56920395 0.75540342 0.10905059 0.02109669 0.13554599 0.10905059 0.47890331 0.24459658 0.89094941 0.97890331 0.86445401 0.89094941 0.52109669 0.73173540 0.29677564 0.28047751 0.97148896 0.29677564 0.21952249 0.26826460 0.70322436 0.71952249 0.02851104 0.70322436 0.78047751 0.13525053 0.49093825 0.28180134 0.37381122 0.49093825 0.21819866 0.86474947 0.50906175 0.71819866 0.62618878 0.50906175 0.78180134 0.91357025 0.88253089 0.17917193 0.20389886 0.88253089 0.32082807 0.08642975 0.11746911 0.82082807 0.79610114 0.11746911 0.67917193 0.96777800 0.37607436 0.07970487 0.65614764 0.37607436 0.42029513 0.03222200 0.62392564 0.92029513 0.34385236 0.62392564 0.57970487 0.70837580 0.64767388 0.05549005 0.64395032 0.64767388 0.44450995 0.29162420 0.35232612 0.94450995 0.35604968 0.35232612 0.55549005 0.27540840 0.41803809 0.06638908 0.30655351 0.41803809 0.43361092 0.72459160 0.58196191 0.93361092 0.69344649 0.58196191 0.56638908 0.32276409 0.60561214 0.09069833 0.07162379 0.60561214 0.40930167 0.67723591 0.39438786 0.90930167 0.92837621 0.39438786 0.59069833 0.65874423 0.27348488 0.05200126 0.06777089 0.27348488 0.44799874 0.34125577 0.72651512 0.94799874 0.93222911 0.72651512 0.55200126 0.68906705 0.06880037 0.99584004 0.24213258 0.06880037 0.50415996 0.31093295 0.93119963 0.00415996 0.75786742 0.93119963 0.49584004 0.73113230 0.19840392 0.30979023 0.07046378 0.19840392 0.19020977 0.26886770 0.80159608 0.69020977 0.92953622 0.80159608 0.80979023 0.67236625 0.51668425 0.29844981 0.81094949 0.51668425 0.20155019 0.32763375 0.48331575 0.70155019 0.18905051 0.48331575 0.79844981 0.28838740 0.26811505 0.30149849 0.44349755 0.26811505 0.19850151 0.71161260 0.73188495 0.69850151 0.55650245 0.73188495 0.80149849 0.07300187 0.42778476 0.26464917 0.49921336 0.42778476 0.23535083 0.92699813 0.57221524 0.73535083 0.50078664 0.57221524 0.76464917 0.00637178 0.65477127 0.15692466 0.33885694 0.65477127 0.34307534 0.99362822 0.34522873 0.84307534 0.66114306 0.34522873 0.65692466 0.78791741 0.10275257 0.15462835 0.10933002 0.10275257 0.34537165 0.21208259 0.89724743 0.84537165 0.89066998 0.89724743 0.65462835 M6_341_750_D2_0.04_e4_accurate 1 9.937001 0.000000 -0.041078 4.968501 3.596219 -0.020539 -3.787524 -0.000000 23.908704 Mg S O H 4 4 40 48 Direct configuration= 14 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06010354 0.87979292 0.25000000 0.93989646 0.12020708 0.75000000 0.42316370 0.89328677 0.12325456 0.68354953 0.89328677 0.37674544 0.57683630 0.10671323 0.87674544 0.31645047 0.10671323 0.62325456 0.17868969 0.18947367 0.13588311 0.63183666 0.18947367 0.36411689 0.82131031 0.81052633 0.86411689 0.36816334 0.81052633 0.63588311 0.54980768 0.88125535 0.16800304 0.56893695 0.88125535 0.33199696 0.45019232 0.11874465 0.83199696 0.43106305 0.11874465 0.66800304 0.42158365 0.98224189 0.06803873 0.59617447 0.98224189 0.43196127 0.57841635 0.01775811 0.93196127 0.40382553 0.01775811 0.56803873 0.53661529 0.52516188 0.11825802 0.93822284 0.52516188 0.38174198 0.46338471 0.47483812 0.88174198 0.06177716 0.47483812 0.61825802 0.86961464 0.44056039 0.04609873 0.68982498 0.44056039 0.45390127 0.13038536 0.55943961 0.95390127 0.31017502 0.55943961 0.54609873 0.20620435 0.65672034 0.06921447 0.13707531 0.65672034 0.43078553 0.79379565 0.34327966 0.93078553 0.86292469 0.34327966 0.56921447 0.75535656 0.10904105 0.02108760 0.13560239 0.10904105 0.47891240 0.24464344 0.89095895 0.97891240 0.86439761 0.89095895 0.52108760 0.73175809 0.29666687 0.28050828 0.97157504 0.29666687 0.21949172 0.26824191 0.70333313 0.71949172 0.02842496 0.70333313 0.78050828 0.13514732 0.49101491 0.28177324 0.37383777 0.49101491 0.21822676 0.86485268 0.50898509 0.71822676 0.62616223 0.50898509 0.78177324 0.91359527 0.88257969 0.17915016 0.20382504 0.88257969 0.32084984 0.08640473 0.11742031 0.82084984 0.79617496 0.11742031 0.67915016 0.96780538 0.37601174 0.07968695 0.65618288 0.37601174 0.42031305 0.03219462 0.62398826 0.92031305 0.34381712 0.62398826 0.57968695 0.70829074 0.64771169 0.05545090 0.64399756 0.64771169 0.44454910 0.29170926 0.35228831 0.94454910 0.35600244 0.35228831 0.55545090 0.27527033 0.41808723 0.06636753 0.30664244 0.41808723 0.43363247 0.72472967 0.58191277 0.93363247 0.69335756 0.58191277 0.56636753 0.32265458 0.60570638 0.09070601 0.07163906 0.60570638 0.40929399 0.67734542 0.39429362 0.90929399 0.92836094 0.39429362 0.59070601 0.65868480 0.27353371 0.05198693 0.06778149 0.27353371 0.44801307 0.34131520 0.72646629 0.94801307 0.93221851 0.72646629 0.55198693 0.68888914 0.06907248 0.99582088 0.24203838 0.06907248 0.50417912 0.31111086 0.93092752 0.00417912 0.75796162 0.93092752 0.49582088 0.73126586 0.19825028 0.30981443 0.07048385 0.19825028 0.19018557 0.26873414 0.80174972 0.69018557 0.92951615 0.80174972 0.80981443 0.67241462 0.51658365 0.29844102 0.81100174 0.51658365 0.20155898 0.32758538 0.48341635 0.70155898 0.18899826 0.48341635 0.79844102 0.28822449 0.26824036 0.30149368 0.44353515 0.26824036 0.19850632 0.71177551 0.73175964 0.69850632 0.55646485 0.73175964 0.80149368 0.07290482 0.42776641 0.26457921 0.49932877 0.42776641 0.23542079 0.92709518 0.57223359 0.73542079 0.50067123 0.57223359 0.76457921 0.00635146 0.65484988 0.15688623 0.33879864 0.65484988 0.34311377 0.99364854 0.34515012 0.84311377 0.66120136 0.34515012 0.65688623 0.78799948 0.10268176 0.15463708 0.10931876 0.10268176 0.34536292 0.21200052 0.89731824 0.84536292 0.89068124 0.89731824 0.65463708 M6_341_750_D2_0.04_e4_accurate 1 9.934967 -0.000000 -0.041335 4.967484 3.596849 -0.020667 -3.787362 0.000000 23.909594 Mg S O H 4 4 40 48 Direct configuration= 15 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06023811 0.87952376 0.25000000 0.93976189 0.12047624 0.75000000 0.42318596 0.89335143 0.12323766 0.68346261 0.89335143 0.37676234 0.57681404 0.10664857 0.87676234 0.31653739 0.10664857 0.62323766 0.17861406 0.18948845 0.13588482 0.63189750 0.18948845 0.36411518 0.82138594 0.81051155 0.86411518 0.36810250 0.81051155 0.63588482 0.54988240 0.88132610 0.16803416 0.56879149 0.88132610 0.33196584 0.45011760 0.11867390 0.83196584 0.43120851 0.11867390 0.66803416 0.42165465 0.98218836 0.06800621 0.59615699 0.98218836 0.43199379 0.57834535 0.01781164 0.93199379 0.40384301 0.01781164 0.56800621 0.53666370 0.52504910 0.11825864 0.93828720 0.52504910 0.38174136 0.46333630 0.47495090 0.88174136 0.06171280 0.47495090 0.61825864 0.86961183 0.44053609 0.04607286 0.68985208 0.44053609 0.45392714 0.13038817 0.55946391 0.95392714 0.31014792 0.55946391 0.54607286 0.20593398 0.65693830 0.06923053 0.13712772 0.65693830 0.43076947 0.79406602 0.34306170 0.93076947 0.86287228 0.34306170 0.56923053 0.75528503 0.10902651 0.02107373 0.13568847 0.10902651 0.47892627 0.24471497 0.89097349 0.97892627 0.86431153 0.89097349 0.52107373 0.73179271 0.29650091 0.28055524 0.97170639 0.29650091 0.21944476 0.26820729 0.70349909 0.71944476 0.02829361 0.70349909 0.78055524 0.13498981 0.49113189 0.28173036 0.37387830 0.49113189 0.21826964 0.86501019 0.50886811 0.71826964 0.62612170 0.50886811 0.78173036 0.91363346 0.88265416 0.17911694 0.20371238 0.88265416 0.32088306 0.08636654 0.11734584 0.82088306 0.79628762 0.11734584 0.67911694 0.96784715 0.37591618 0.07965961 0.65623667 0.37591618 0.42034039 0.03215285 0.62408382 0.92034039 0.34376333 0.62408382 0.57965961 0.70816093 0.64776939 0.05539117 0.64406967 0.64776939 0.44460883 0.29183907 0.35223061 0.94460883 0.35593033 0.35223061 0.55539117 0.27505961 0.41816222 0.06633464 0.30677818 0.41816222 0.43366536 0.72494039 0.58183778 0.93366536 0.69322182 0.58183778 0.56633464 0.32248745 0.60585018 0.09071773 0.07166238 0.60585018 0.40928227 0.67751255 0.39414982 0.90928227 0.92833762 0.39414982 0.59071773 0.65859409 0.27360822 0.05196507 0.06779769 0.27360822 0.44803493 0.34140591 0.72639178 0.94803493 0.93220231 0.72639178 0.55196507 0.68861766 0.06948769 0.99579164 0.24189466 0.06948769 0.50420836 0.31138234 0.93051231 0.00420836 0.75810534 0.93051231 0.49579164 0.73146969 0.19801585 0.30985137 0.07051446 0.19801585 0.19014863 0.26853031 0.80198415 0.69014863 0.92948554 0.80198415 0.80985137 0.67248842 0.51643013 0.29842762 0.81108146 0.51643013 0.20157238 0.32751158 0.48356987 0.70157238 0.18891854 0.48356987 0.79842762 0.28797586 0.26843157 0.30148633 0.44359257 0.26843157 0.19851367 0.71202414 0.73156843 0.69851367 0.55640743 0.73156843 0.80148633 0.07275670 0.42773839 0.26447245 0.49950491 0.42773839 0.23552755 0.92724330 0.57226161 0.73552755 0.50049509 0.57226161 0.76447245 0.00632048 0.65496984 0.15682759 0.33870967 0.65496984 0.34317241 0.99367952 0.34503016 0.84317241 0.66129033 0.34503016 0.65682759 0.78812473 0.10257372 0.15465041 0.10930155 0.10257372 0.34534959 0.21187527 0.89742628 0.84534959 0.89069845 0.89742628 0.65465041 M6_341_750_D2_0.04_e4_accurate 1 9.932400 -0.000000 -0.041715 4.966200 3.597417 -0.020857 -3.787289 0.000000 23.911938 Mg S O H 4 4 40 48 Direct configuration= 16 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06038479 0.87923042 0.25000000 0.93961521 0.12076958 0.75000000 0.42323006 0.89336512 0.12323559 0.68340482 0.89336512 0.37676441 0.57676994 0.10663488 0.87676441 0.31659518 0.10663488 0.62323559 0.17864268 0.18938925 0.13588827 0.63196808 0.18938925 0.36411173 0.82135732 0.81061075 0.86411173 0.36803192 0.81061075 0.63588827 0.54986234 0.88138671 0.16803465 0.56875094 0.88138671 0.33196535 0.45013766 0.11861329 0.83196535 0.43124906 0.11861329 0.66803465 0.42176067 0.98204825 0.06797992 0.59619109 0.98204825 0.43202008 0.57823933 0.01795175 0.93202008 0.40380891 0.01795175 0.56797992 0.53664103 0.52514560 0.11825900 0.93821337 0.52514560 0.38174100 0.46335897 0.47485440 0.88174100 0.06178663 0.47485440 0.61825900 0.86956993 0.44056230 0.04604518 0.68986777 0.44056230 0.45395482 0.13043007 0.55943770 0.95395482 0.31013223 0.55943770 0.54604518 0.20571287 0.65711853 0.06924836 0.13716859 0.65711853 0.43075164 0.79428713 0.34288147 0.93075164 0.86283141 0.34288147 0.56924836 0.75523458 0.10904661 0.02105788 0.13571882 0.10904661 0.47894212 0.24476542 0.89095339 0.97894212 0.86428118 0.89095339 0.52105788 0.73195492 0.29626112 0.28058135 0.97178396 0.29626112 0.21941865 0.26804508 0.70373888 0.71941865 0.02821604 0.70373888 0.78058135 0.13479079 0.49125878 0.28169333 0.37395042 0.49125878 0.21830667 0.86520921 0.50874122 0.71830667 0.62604958 0.50874122 0.78169333 0.91374815 0.88258377 0.17910360 0.20366808 0.88258377 0.32089640 0.08625185 0.11741623 0.82089640 0.79633192 0.11741623 0.67910360 0.96782794 0.37592681 0.07964176 0.65624525 0.37592681 0.42035824 0.03217206 0.62407319 0.92035824 0.34375475 0.62407319 0.57964176 0.70812295 0.64775991 0.05535039 0.64411713 0.64775991 0.44464961 0.29187705 0.35224009 0.94464961 0.35588287 0.35224009 0.55535039 0.27487714 0.41831448 0.06631381 0.30680838 0.41831448 0.43368619 0.72512286 0.58168552 0.93368619 0.69319162 0.58168552 0.56631381 0.32236566 0.60588575 0.09072993 0.07174859 0.60588575 0.40927007 0.67763434 0.39411425 0.90927007 0.92825141 0.39411425 0.59072993 0.65850457 0.27365885 0.05194477 0.06783658 0.27365885 0.44805523 0.34149543 0.72634115 0.94805523 0.93216342 0.72634115 0.55194477 0.68835598 0.06985502 0.99576747 0.24178900 0.06985502 0.50423253 0.31164402 0.93014498 0.00423253 0.75821100 0.93014498 0.49576747 0.73160159 0.19784954 0.30988770 0.07054887 0.19784954 0.19011230 0.26839841 0.80215046 0.69011230 0.92945113 0.80215046 0.80988770 0.67248082 0.51636676 0.29842136 0.81115242 0.51636676 0.20157864 0.32751918 0.48363324 0.70157864 0.18884758 0.48363324 0.79842136 0.28776982 0.26855621 0.30147478 0.44367397 0.26855621 0.19852522 0.71223018 0.73144379 0.69852522 0.55632603 0.73144379 0.80147478 0.07267050 0.42772256 0.26438378 0.49960694 0.42772256 0.23561622 0.92732950 0.57227744 0.73561622 0.50039306 0.57227744 0.76438378 0.00625629 0.65516090 0.15678094 0.33858280 0.65516090 0.34321906 0.99374371 0.34483910 0.84321906 0.66141720 0.34483910 0.65678094 0.78815492 0.10257865 0.15463220 0.10926644 0.10257865 0.34536780 0.21184508 0.89742135 0.84536780 0.89073356 0.89742135 0.65463220 M6_341_750_D2_0.04_e4_accurate 1 9.924699 -0.000000 -0.042856 4.962349 3.599123 -0.021428 -3.787069 0.000000 23.918968 Mg S O H 4 4 40 48 Direct configuration= 17 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06082473 0.87835053 0.25000000 0.93917527 0.12164947 0.75000000 0.42336240 0.89340619 0.12322939 0.68323141 0.89340619 0.37677061 0.57663760 0.10659381 0.87677061 0.31676859 0.10659381 0.62322939 0.17872849 0.18909169 0.13589863 0.63217982 0.18909169 0.36410137 0.82127151 0.81090831 0.86410137 0.36782018 0.81090831 0.63589863 0.54980219 0.88156851 0.16803613 0.56862929 0.88156851 0.33196387 0.45019781 0.11843149 0.83196387 0.43137071 0.11843149 0.66803613 0.42207872 0.98162797 0.06790106 0.59629331 0.98162797 0.43209894 0.57792128 0.01837203 0.93209894 0.40370669 0.01837203 0.56790106 0.53657306 0.52543504 0.11826008 0.93799190 0.52543504 0.38173992 0.46342694 0.47456496 0.88173992 0.06200810 0.47456496 0.61826008 0.86944421 0.44064092 0.04596216 0.68991487 0.44064092 0.45403784 0.13055579 0.55935908 0.95403784 0.31008513 0.55935908 0.54596216 0.20504948 0.65765915 0.06930184 0.13729137 0.65765915 0.43069816 0.79495052 0.34234085 0.93069816 0.86270863 0.34234085 0.56930184 0.75508320 0.10910689 0.02101035 0.13580990 0.10910689 0.47898965 0.24491680 0.89089311 0.97898965 0.86419010 0.89089311 0.52101035 0.73244153 0.29554189 0.28065969 0.97201658 0.29554189 0.21934031 0.26755847 0.70445811 0.71934031 0.02798342 0.70445811 0.78065969 0.13419367 0.49163940 0.28158225 0.37416693 0.49163940 0.21841775 0.86580633 0.50836060 0.71841775 0.62583307 0.50836060 0.78158225 0.91409226 0.88237263 0.17906359 0.20353511 0.88237263 0.32093641 0.08590774 0.11762737 0.82093641 0.79646489 0.11762737 0.67906359 0.96777029 0.37595871 0.07958822 0.65627100 0.37595871 0.42041178 0.03222971 0.62404129 0.92041178 0.34372900 0.62404129 0.57958822 0.70800898 0.64773148 0.05522804 0.64425954 0.64773148 0.44477196 0.29199102 0.35226852 0.94477196 0.35574046 0.35226852 0.55522804 0.27432971 0.41877118 0.06625131 0.30689911 0.41877118 0.43374869 0.72567029 0.58122882 0.93374869 0.69310089 0.58122882 0.56625131 0.32200023 0.60599245 0.09076653 0.07200733 0.60599245 0.40923347 0.67799977 0.39400755 0.90923347 0.92799267 0.39400755 0.59076653 0.65823597 0.27381073 0.05188388 0.06795330 0.27381073 0.44811612 0.34176403 0.72618927 0.94811612 0.93204670 0.72618927 0.55188388 0.68757097 0.07095686 0.99569496 0.24147217 0.07095686 0.50430504 0.31242903 0.92904314 0.00430504 0.75852783 0.92904314 0.49569496 0.73199730 0.19735069 0.30999668 0.07065201 0.19735069 0.19000332 0.26800270 0.80264931 0.69000332 0.92934799 0.80264931 0.80999668 0.67245799 0.51617669 0.29840259 0.81136532 0.51617669 0.20159741 0.32754201 0.48382331 0.70159741 0.18863468 0.48382331 0.79840259 0.28715162 0.26893006 0.30144013 0.44391832 0.26893006 0.19855987 0.71284838 0.73106994 0.69855987 0.55608168 0.73106994 0.80144013 0.07241186 0.42767506 0.26411778 0.49991308 0.42767506 0.23588222 0.92758814 0.57232494 0.73588222 0.50008692 0.57232494 0.76411778 0.00606381 0.65573399 0.15664100 0.33820219 0.65573399 0.34335900 0.99393619 0.34426601 0.84335900 0.66179781 0.34426601 0.65664100 0.78824552 0.10259342 0.15457757 0.10916107 0.10259342 0.34542243 0.21175448 0.89740658 0.84542243 0.89083893 0.89740658 0.65457757 M6_341_750_D2_0.04_e4_accurate 1 9.922079 -0.000000 -0.043001 4.961039 3.599588 -0.021501 -3.786413 0.000000 23.920684 Mg S O H 4 4 40 48 Direct configuration= 18 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06095041 0.87809917 0.25000000 0.93904959 0.12190083 0.75000000 0.42333909 0.89341828 0.12321087 0.68324262 0.89341828 0.37678913 0.57666091 0.10658172 0.87678913 0.31675738 0.10658172 0.62321087 0.17882165 0.18894552 0.13589097 0.63223284 0.18894552 0.36410903 0.82117835 0.81105448 0.86410903 0.36776716 0.81105448 0.63589097 0.54978915 0.88164676 0.16803506 0.56856408 0.88164676 0.33196494 0.45021085 0.11835324 0.83196494 0.43143592 0.11835324 0.66803506 0.42217316 0.98148526 0.06790343 0.59634157 0.98148526 0.43209657 0.57782684 0.01851474 0.93209657 0.40365843 0.01851474 0.56790343 0.53654453 0.52556272 0.11825823 0.93789275 0.52556272 0.38174177 0.46345547 0.47443728 0.88174177 0.06210725 0.47443728 0.61825823 0.86946128 0.44061411 0.04594418 0.68992461 0.44061411 0.45405582 0.13053872 0.55938589 0.95405582 0.31007539 0.55938589 0.54594418 0.20488991 0.65778883 0.06932442 0.13732127 0.65778883 0.43067558 0.79511009 0.34221117 0.93067558 0.86267873 0.34221117 0.56932442 0.75498714 0.10920912 0.02100158 0.13580373 0.10920912 0.47899842 0.24501286 0.89079088 0.97899842 0.86419627 0.89079088 0.52100158 0.73263390 0.29529674 0.28067647 0.97206937 0.29529674 0.21932353 0.26736610 0.70470326 0.71932353 0.02793063 0.70470326 0.78067647 0.13409077 0.49163644 0.28156433 0.37427279 0.49163644 0.21843567 0.86590923 0.50836356 0.71843567 0.62572721 0.50836356 0.78156433 0.91412251 0.88242742 0.17903932 0.20345008 0.88242742 0.32096068 0.08587749 0.11757258 0.82096068 0.79654992 0.11757258 0.67903932 0.96769486 0.37603528 0.07956439 0.65626987 0.37603528 0.42043561 0.03230514 0.62396472 0.92043561 0.34373013 0.62396472 0.57956439 0.70798230 0.64772958 0.05519767 0.64428811 0.64772958 0.44480233 0.29201770 0.35227042 0.94480233 0.35571189 0.35227042 0.55519767 0.27415310 0.41895756 0.06623398 0.30688933 0.41895756 0.43376602 0.72584690 0.58104244 0.93376602 0.69311067 0.58104244 0.56623398 0.32187663 0.60600712 0.09077699 0.07211626 0.60600712 0.40922301 0.67812337 0.39399288 0.90922301 0.92788374 0.39399288 0.59077699 0.65817623 0.27382046 0.05185969 0.06800331 0.27382046 0.44814031 0.34182377 0.72617954 0.94814031 0.93199669 0.72617954 0.55185969 0.68732579 0.07128838 0.99566975 0.24138583 0.07128838 0.50433025 0.31267421 0.92871162 0.00433025 0.75861417 0.92871162 0.49566975 0.73210562 0.19720505 0.31003231 0.07068933 0.19720505 0.18996769 0.26789438 0.80279495 0.68996769 0.92931067 0.80279495 0.81003231 0.67242895 0.51613651 0.29839950 0.81143455 0.51613651 0.20160050 0.32757105 0.48386349 0.70160050 0.18856545 0.48386349 0.79839950 0.28688915 0.26913477 0.30141723 0.44397608 0.26913477 0.19858277 0.71311085 0.73086523 0.69858277 0.55602392 0.73086523 0.80141723 0.07233331 0.42765054 0.26403211 0.50001615 0.42765054 0.23596789 0.92766669 0.57234946 0.73596789 0.49998385 0.57234946 0.76403211 0.00602224 0.65588122 0.15659837 0.33809653 0.65588122 0.34340163 0.99397776 0.34411878 0.84340163 0.66190347 0.34411878 0.65659837 0.78830037 0.10254919 0.15456423 0.10915044 0.10254919 0.34543577 0.21169963 0.89745081 0.84543577 0.89084956 0.89745081 0.65456423 M6_341_750_D2_0.04_e4_accurate 1 9.914220 -0.000000 -0.043439 4.957110 3.600981 -0.021719 -3.784446 0.000000 23.925832 Mg S O H 4 4 40 48 Direct configuration= 19 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06132740 0.87734518 0.25000000 0.93867260 0.12265482 0.75000000 0.42326916 0.89345456 0.12315529 0.68327628 0.89345456 0.37684471 0.57673084 0.10654544 0.87684471 0.31672372 0.10654544 0.62315529 0.17910110 0.18850708 0.13586800 0.63239183 0.18850708 0.36413200 0.82089890 0.81149292 0.86413200 0.36760817 0.81149292 0.63586800 0.54975007 0.88188150 0.16803185 0.56836842 0.88188150 0.33196815 0.45024993 0.11811850 0.83196815 0.43163158 0.11811850 0.66803185 0.42245648 0.98105719 0.06791056 0.59648633 0.98105719 0.43208944 0.57754352 0.01894281 0.93208944 0.40351367 0.01894281 0.56791056 0.53645899 0.52594570 0.11825266 0.93759531 0.52594570 0.38174734 0.46354101 0.47405430 0.88174734 0.06240469 0.47405430 0.61825266 0.86951248 0.44053368 0.04589022 0.68995384 0.44053368 0.45410978 0.13048752 0.55946632 0.95410978 0.31004616 0.55946632 0.54589022 0.20441112 0.65817783 0.06939214 0.13741104 0.65817783 0.43060786 0.79558888 0.34182217 0.93060786 0.86258896 0.34182217 0.56939214 0.75469895 0.10951578 0.02097529 0.13578527 0.10951578 0.47902471 0.24530105 0.89048422 0.97902471 0.86421473 0.89048422 0.52097529 0.73321101 0.29456136 0.28072681 0.97222763 0.29456136 0.21927319 0.26678899 0.70543864 0.71927319 0.02777237 0.70543864 0.78072681 0.13378197 0.49162756 0.28151059 0.37459047 0.49162756 0.21848941 0.86621803 0.50837244 0.71848941 0.62540953 0.50837244 0.78151059 0.91421330 0.88259176 0.17896650 0.20319494 0.88259176 0.32103350 0.08578670 0.11740824 0.82103350 0.79680506 0.11740824 0.67896650 0.96746855 0.37626494 0.07949291 0.65626651 0.37626494 0.42050709 0.03253145 0.62373506 0.92050709 0.34373349 0.62373506 0.57949291 0.70790225 0.64772391 0.05510655 0.64437383 0.64772391 0.44489345 0.29209775 0.35227609 0.94489345 0.35562617 0.35227609 0.55510655 0.27362326 0.41951662 0.06618197 0.30686011 0.41951662 0.43381803 0.72637674 0.58048338 0.93381803 0.69313989 0.58048338 0.56618197 0.32150573 0.60605111 0.09080836 0.07244316 0.60605111 0.40919164 0.67849427 0.39394889 0.90919164 0.92755684 0.39394889 0.59080836 0.65799696 0.27384965 0.05178710 0.06815340 0.27384965 0.44821290 0.34200304 0.72615035 0.94821290 0.93184660 0.72615035 0.55178710 0.68659026 0.07228279 0.99559413 0.24112695 0.07228279 0.50440587 0.31340974 0.92771721 0.00440587 0.75887305 0.92771721 0.49559413 0.73243055 0.19676820 0.31013918 0.07080125 0.19676820 0.18986082 0.26756945 0.80323180 0.68986082 0.92919875 0.80323180 0.81013918 0.67234176 0.51601599 0.29839022 0.81164225 0.51601599 0.20160978 0.32765824 0.48398401 0.70160978 0.18835775 0.48398401 0.79839022 0.28610168 0.26974882 0.30134854 0.44414950 0.26974882 0.19865146 0.71389832 0.73025118 0.69865146 0.55585050 0.73025118 0.80134854 0.07209760 0.42757700 0.26377511 0.50032540 0.42757700 0.23622489 0.92790240 0.57242300 0.73622489 0.49967460 0.57242300 0.76377511 0.00589759 0.65632284 0.15647049 0.33777956 0.65632284 0.34352951 0.99410241 0.34367716 0.84352951 0.66222044 0.34367716 0.65647049 0.78846494 0.10241653 0.15452419 0.10911853 0.10241653 0.34547581 0.21153506 0.89758347 0.84547581 0.89088147 0.89758347 0.65452419 M6_341_750_D2_0.04_e4_accurate 1 9.916252 -0.000000 -0.043326 4.958126 3.600621 -0.021663 -3.784955 0.000000 23.924501 Mg S O H 4 4 40 48 Direct configuration= 20 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06122999 0.87754002 0.25000000 0.93877001 0.12245998 0.75000000 0.42328724 0.89344519 0.12316965 0.68326757 0.89344519 0.37683035 0.57671276 0.10655481 0.87683035 0.31673243 0.10655481 0.62316965 0.17902887 0.18862037 0.13587393 0.63235077 0.18862037 0.36412607 0.82097113 0.81137963 0.86412607 0.36764923 0.81137963 0.63587393 0.54976015 0.88182084 0.16803268 0.56841900 0.88182084 0.33196732 0.45023985 0.11817916 0.83196732 0.43158100 0.11817916 0.66803268 0.42238325 0.98116781 0.06790872 0.59644894 0.98116781 0.43209128 0.57761675 0.01883219 0.93209128 0.40355106 0.01883219 0.56790872 0.53648106 0.52584674 0.11825410 0.93767220 0.52584674 0.38174590 0.46351894 0.47415326 0.88174590 0.06232780 0.47415326 0.61825410 0.86949924 0.44055446 0.04590416 0.68994629 0.44055446 0.45409584 0.13050076 0.55944554 0.95409584 0.31005371 0.55944554 0.54590416 0.20453494 0.65807731 0.06937464 0.13738775 0.65807731 0.43062536 0.79546506 0.34192269 0.93062536 0.86261225 0.34192269 0.56937464 0.75477346 0.10943654 0.02098208 0.13579000 0.10943654 0.47901792 0.24522654 0.89056346 0.97901792 0.86421000 0.89056346 0.52098208 0.73306182 0.29475138 0.28071379 0.97218679 0.29475138 0.21928621 0.26693818 0.70524862 0.71928621 0.02781321 0.70524862 0.78071379 0.13386186 0.49162986 0.28152448 0.37450829 0.49162986 0.21847552 0.86613814 0.50837014 0.71847552 0.62549171 0.50837014 0.78152448 0.91418978 0.88254929 0.17898532 0.20326092 0.88254929 0.32101468 0.08581022 0.11745071 0.82101468 0.79673908 0.11745071 0.67898532 0.96752706 0.37620559 0.07951139 0.65626735 0.37620559 0.42048861 0.03247294 0.62379441 0.92048861 0.34373265 0.62379441 0.57951139 0.70792295 0.64772538 0.05513010 0.64435166 0.64772538 0.44486990 0.29207705 0.35227462 0.94486990 0.35564834 0.35227462 0.55513010 0.27376025 0.41937216 0.06619541 0.30686759 0.41937216 0.43380459 0.72623975 0.58062784 0.93380459 0.69313241 0.58062784 0.56619541 0.32160169 0.60603974 0.09080026 0.07235858 0.60603974 0.40919974 0.67839831 0.39396026 0.90919974 0.92764142 0.39396026 0.59080026 0.65804333 0.27384210 0.05180586 0.06811457 0.27384210 0.44819414 0.34195667 0.72615790 0.94819414 0.93188543 0.72615790 0.55180586 0.68678039 0.07202583 0.99561367 0.24119378 0.07202583 0.50438633 0.31321961 0.92797417 0.00438633 0.75880622 0.92797417 0.49561367 0.73234656 0.19688108 0.31011156 0.07077236 0.19688108 0.18988844 0.26765344 0.80311892 0.68988844 0.92922764 0.80311892 0.81011156 0.67236434 0.51604713 0.29839262 0.81158853 0.51604713 0.20160738 0.32763566 0.48395287 0.70160738 0.18841147 0.48395287 0.79839262 0.28630531 0.26959015 0.30136630 0.44410454 0.26959015 0.19863370 0.71369469 0.73040985 0.69863370 0.55589546 0.73040985 0.80136630 0.07215857 0.42759601 0.26384153 0.50024542 0.42759601 0.23615847 0.92784143 0.57240399 0.73615847 0.49975458 0.57240399 0.76384153 0.00592976 0.65620872 0.15650354 0.33786150 0.65620872 0.34349646 0.99407024 0.34379128 0.84349646 0.66213850 0.34379128 0.65650354 0.78842238 0.10245081 0.15453453 0.10912681 0.10245081 0.34546547 0.21157762 0.89754919 0.84546547 0.89087319 0.89754919 0.65453453 M6_341_750_D2_0.04_e4_accurate 1 9.912727 -0.000000 -0.043244 4.956364 3.601619 -0.021622 -3.783401 0.000000 23.927066 Mg S O H 4 4 40 48 Direct configuration= 21 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06137662 0.87724675 0.25000000 0.93862338 0.12275325 0.75000000 0.42335867 0.89335815 0.12317416 0.68328319 0.89335815 0.37682584 0.57664133 0.10664185 0.87682584 0.31671681 0.10664185 0.62317416 0.17907958 0.18853567 0.13584685 0.63238475 0.18853567 0.36415315 0.82092042 0.81146433 0.86415315 0.36761525 0.81146433 0.63584685 0.54971825 0.88197162 0.16801027 0.56831012 0.88197162 0.33198973 0.45028175 0.11802838 0.83198973 0.43168988 0.11802838 0.66801027 0.42249679 0.98101595 0.06791811 0.59648726 0.98101595 0.43208189 0.57750321 0.01898405 0.93208189 0.40351274 0.01898405 0.56791811 0.53646812 0.52590429 0.11824116 0.93762758 0.52590429 0.38175884 0.46353188 0.47409571 0.88175884 0.06237242 0.47409571 0.61824116 0.86950366 0.44052977 0.04586629 0.68996657 0.44052977 0.45413371 0.13049634 0.55947023 0.95413371 0.31003343 0.55947023 0.54586629 0.20426985 0.65830807 0.06940359 0.13742208 0.65830807 0.43059641 0.79573015 0.34169193 0.93059641 0.86257792 0.34169193 0.56940359 0.75458811 0.10960334 0.02094922 0.13580855 0.10960334 0.47905078 0.24541189 0.89039666 0.97905078 0.86419145 0.89039666 0.52094922 0.73337415 0.29430663 0.28074946 0.97231923 0.29430663 0.21925054 0.26662585 0.70569337 0.71925054 0.02768077 0.70569337 0.78074946 0.13362210 0.49172178 0.28149047 0.37465612 0.49172178 0.21850953 0.86637790 0.50827822 0.71850953 0.62534388 0.50827822 0.78149047 0.91422469 0.88260357 0.17893405 0.20317174 0.88260357 0.32106595 0.08577531 0.11739643 0.82106595 0.79682826 0.11739643 0.67893405 0.96740404 0.37636389 0.07948777 0.65623207 0.37636389 0.42051223 0.03259596 0.62363611 0.92051223 0.34376793 0.62363611 0.57948777 0.70792389 0.64769381 0.05509546 0.64438228 0.64769381 0.44490454 0.29207611 0.35230619 0.94490454 0.35561772 0.35230619 0.55509546 0.27350879 0.41964038 0.06617279 0.30685082 0.41964038 0.43382721 0.72649121 0.58035962 0.93382721 0.69314918 0.58035962 0.56617279 0.32147334 0.60601959 0.09082812 0.07250707 0.60601959 0.40917188 0.67852666 0.39398041 0.90917188 0.92749293 0.39398041 0.59082812 0.65793202 0.27391259 0.05178469 0.06815539 0.27391259 0.44821531 0.34206798 0.72608741 0.94821531 0.93184461 0.72608741 0.55178469 0.68644893 0.07249049 0.99557821 0.24106058 0.07249049 0.50442179 0.31355107 0.92750951 0.00442179 0.75893942 0.92750951 0.49557821 0.73249666 0.19671572 0.31014794 0.07078762 0.19671572 0.18985206 0.26750334 0.80328428 0.68985206 0.92921238 0.80328428 0.81014794 0.67230486 0.51603473 0.29839349 0.81166041 0.51603473 0.20160651 0.32769514 0.48396527 0.70160651 0.18833959 0.48396527 0.79839349 0.28601139 0.26973846 0.30133975 0.44425014 0.26973846 0.19866025 0.71398861 0.73026154 0.69866025 0.55574986 0.73026154 0.80133975 0.07206042 0.42754793 0.26371842 0.50039165 0.42754793 0.23628158 0.92793958 0.57245207 0.73628158 0.49960835 0.57245207 0.76371842 0.00588460 0.65641418 0.15644950 0.33770121 0.65641418 0.34355050 0.99411540 0.34358582 0.84355050 0.66229879 0.34358582 0.65644950 0.78847556 0.10244311 0.15451172 0.10908133 0.10244311 0.34548828 0.21152444 0.89755689 0.84548828 0.89091867 0.89755689 0.65451172 M6_341_750_D2_0.04_e4_accurate 1 9.905970 -0.000000 -0.043087 4.952985 3.603532 -0.021544 -3.780422 0.000000 23.931983 Mg S O H 4 4 40 48 Direct configuration= 22 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06165768 0.87668463 0.25000000 0.93834232 0.12331537 0.75000000 0.42349560 0.89319131 0.12318279 0.68331309 0.89319131 0.37681721 0.57650440 0.10680869 0.87681721 0.31668691 0.10680869 0.62318279 0.17917681 0.18837333 0.13579492 0.63244988 0.18837333 0.36420508 0.82082319 0.81162667 0.86420508 0.36755012 0.81162667 0.63579492 0.54963800 0.88226063 0.16796732 0.56810136 0.88226063 0.33203268 0.45036200 0.11773937 0.83203268 0.43189864 0.11773937 0.66796732 0.42271446 0.98072487 0.06793611 0.59656067 0.98072487 0.43206389 0.57728554 0.01927513 0.93206389 0.40343933 0.01927513 0.56793611 0.53644335 0.52601461 0.11821636 0.93754204 0.52601461 0.38178364 0.46355665 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0.55547052 0.72997725 0.80128885 0.07187218 0.42745579 0.26348241 0.50067203 0.42745579 0.23651759 0.92812782 0.57254421 0.73651759 0.49932797 0.57254421 0.76348241 0.00579813 0.65680798 0.15634591 0.33739388 0.65680798 0.34365409 0.99420187 0.34319202 0.84365409 0.66260612 0.34319202 0.65634591 0.78857757 0.10242834 0.15446798 0.10899409 0.10242834 0.34553202 0.21142243 0.89757166 0.84553202 0.89100591 0.89757166 0.65446798 M6_341_750_D2_0.04_e4_accurate 1 9.903457 -0.000000 -0.042456 4.951728 3.604977 -0.021228 -3.777920 0.000000 23.936016 Mg S O H 4 4 40 48 Direct configuration= 23 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06173441 0.87653117 0.25000000 0.93826559 0.12346883 0.75000000 0.42357552 0.89310785 0.12318480 0.68331663 0.89310785 0.37681520 0.57642448 0.10689215 0.87681520 0.31668337 0.10689215 0.62318480 0.17906164 0.18850512 0.13576035 0.63243325 0.18850512 0.36423965 0.82093836 0.81149488 0.86423965 0.36756675 0.81149488 0.63576035 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