#MD System 2.0

@Title 2 stacked layers

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	FFAtomType	string	{{}}
	FFCharge	double	0.0
	Fractional	double	{{0.0 0.0 0.0}}
	Freeze	int	0
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
11 {} Na+ 1.0 {0.0293795 0.0250902 0.030058} 0 Na1 1 0.0 1
11 {} Na+ 1.0 {0.0861678 0.0874886 0.230881} 0 Na2 2 0.0 1
11 {} Na+ 1.0 {0.0277247 0.024653 0.0867862} 0 Na3 3 0.0 1
11 {} Na+ 1.0 {0.0868524 0.0782001 0.169777} 0 Na4 4 0.0 1
11 {} Na+ 1.0 {0.0281961 0.0270749 0.143955} 7 Na5 5 0.0 1
11 {} Na+ 1.0 {0.0837517 0.0826305 0.116027} 7 Na6 6 0.0 1
11 {} Na+ 1.0 {0.0326195 0.0256138 0.201964} 0 Na7 7 0.0 1
11 {} Na+ 1.0 {0.0851058 0.0823292 0.0567644} 0 Na8 8 0.0 1
11 {} Na+ 1.0 {0.0302484 0.0273708 0.255946} 0 Na9 9 0.0 1
11 {} Na+ 1.0 {0.0865754 0.0798077 0.000328001} 0 Na10 10 0.0 1
17 {} Cl -1.0 {0.028837 0.031326 0.00336428} 0 Cl1 11 0.0 1
17 {} Cl -1.0 {0.0807237 0.0851013 0.258595} 0 Cl2 12 0.0 1
17 {} Cl -1.0 {0.0312347 0.0238124 0.0589157} 0 Cl3 13 0.0 1
17 {} Cl -1.0 {0.0851399 0.083935 0.200299} 0 Cl4 14 0.0 1
17 {} Cl -1.0 {0.0281961 0.0270749 0.116027} 7 Cl5 15 0.0 1
17 {} Cl -1.0 {0.0837517 0.0826305 0.143955} 7 Cl6 16 0.0 1
17 {} Cl -1.0 {0.0318655 0.0264187 0.171836} 0 Cl7 17 0.0 1
17 {} Cl -1.0 {0.0896986 0.0798473 0.0871851} 0 Cl8 18 0.0 1
17 {} Cl -1.0 {0.0333822 0.0273589 0.229807} 0 Cl9 19 0.0 1
17 {} Cl -1.0 {0.0864567 0.0816762 0.0303459} 0 Cl10 20 0.0 1
11 {} Na+ 1.0 {0.0302053 0.135819 0.0264057} 0 Na11 21 0.0 1
11 {} Na+ 1.0 {0.081319 0.193261 0.231554} 0 Na12 22 0.0 1
11 {} Na+ 1.0 {0.0343474 0.140314 0.0897527} 0 Na13 23 0.0 1
11 {} Na+ 1.0 {0.0857484 0.196446 0.17139} 0 Na14 24 0.0 1
11 {} Na+ 1.0 {0.0281961 0.138186 0.143955} 7 Na15 25 0.0 1
11 {} Na+ 1.0 {0.0837517 0.193742 0.116027} 7 Na16 26 0.0 1
11 {} Na+ 1.0 {0.0335869 0.136869 0.201611} 0 Na17 27 0.0 1
11 {} Na+ 1.0 {0.0852033 0.194551 0.058825} 0 Na18 28 0.0 1
11 {} Na+ 1.0 {0.0273957 0.140231 0.258835} 0 Na19 29 0.0 1
11 {} Na+ 1.0 {0.086633 0.189017 0.996532} 0 Na20 30 0.0 1
17 {} Cl -1.0 {0.0315975 0.134874 0.9999} 0 Cl11 31 0.0 1
17 {} Cl -1.0 {0.0774897 0.194008 0.259534} 0 Cl12 32 0.0 1
17 {} Cl -1.0 {0.035471 0.134484 0.0558031} 0 Cl13 33 0.0 1
17 {} Cl -1.0 {0.0848167 0.194934 0.200222} 0 Cl14 34 0.0 1
17 {} Cl -1.0 {0.0281961 0.138186 0.116027} 7 Cl15 35 0.0 1
17 {} Cl -1.0 {0.0837517 0.193742 0.143955} 7 Cl16 36 0.0 1
17 {} Cl -1.0 {0.0348599 0.139941 0.171039} 0 Cl17 37 0.0 1
17 {} Cl -1.0 {0.086894 0.192136 0.0880898} 0 Cl18 38 0.0 1
17 {} Cl -1.0 {0.0214595 0.139245 0.230104} 0 Cl19 39 0.0 1
17 {} Cl -1.0 {0.0865429 0.189932 0.0295389} 0 Cl20 40 0.0 1
11 {} Na+ 1.0 {0.033447 0.238193 0.0290766} 0 Na21 41 0.0 1
11 {} Na+ 1.0 {0.0811104 0.301935 0.232846} 0 Na22 42 0.0 1
11 {} Na+ 1.0 {0.033868 0.249613 0.0870719} 0 Na23 43 0.0 1
11 {} Na+ 1.0 {0.0855638 0.303781 0.172258} 0 Na24 44 0.0 1
11 {} Na+ 1.0 {0.0281961 0.249297 0.143955} 7 Na25 45 0.0 1
11 {} Na+ 1.0 {0.0837517 0.304853 0.116027} 7 Na26 46 0.0 1
11 {} Na+ 1.0 {0.0236976 0.250018 0.200768} 0 Na27 47 0.0 1
11 {} Na+ 1.0 {0.087679 0.301375 0.0600247} 0 Na28 48 0.0 1
11 {} Na+ 1.0 {0.0272018 0.253912 0.262571} 0 Na29 49 0.0 1
11 {} Na+ 1.0 {0.0879322 0.299294 0.00366156} 0 Na30 50 0.0 1
17 {} Cl -1.0 {0.0310136 0.24157 0.00143132} 0 Cl21 51 0.0 1
17 {} Cl -1.0 {0.080637 0.310029 0.258487} 0 Cl22 52 0.0 1
17 {} Cl -1.0 {0.0312377 0.246681 0.0609928} 0 Cl23 53 0.0 1
17 {} Cl -1.0 {0.0866528 0.309085 0.20047} 0 Cl24 54 0.0 1
17 {} Cl -1.0 {0.0281961 0.249297 0.116027} 7 Cl25 55 0.0 1
17 {} Cl -1.0 {0.0837517 0.304853 0.143955} 7 Cl26 56 0.0 1
17 {} Cl -1.0 {0.0239203 0.248835 0.172591} 0 Cl27 57 0.0 1
17 {} Cl -1.0 {0.0892167 0.30188 0.0879443} 0 Cl28 58 0.0 1
17 {} Cl -1.0 {0.0268253 0.25257 0.229843} 0 Cl29 59 0.0 1
17 {} Cl -1.0 {0.0862539 0.301766 0.0312144} 0 Cl30 60 0.0 1
11 {} Na+ 1.0 {0.030426 0.357226 0.0332097} 0 Na31 61 0.0 1
11 {} Na+ 1.0 {0.0818928 0.419144 0.229738} 0 Na32 62 0.0 1
11 {} Na+ 1.0 {0.0257665 0.356994 0.0871858} 0 Na33 63 0.0 1
11 {} Na+ 1.0 {0.0817415 0.412664 0.173218} 0 Na34 64 0.0 1
11 {} Na+ 1.0 {0.0281961 0.360408 0.143955} 7 Na35 65 0.0 1
11 {} Na+ 1.0 {0.0837517 0.415964 0.116027} 7 Na36 66 0.0 1
11 {} Na+ 1.0 {0.0258049 0.364698 0.201549} 0 Na37 67 0.0 1
11 {} Na+ 1.0 {0.0871854 0.420086 0.0593911} 0 Na38 68 0.0 1
11 {} Na+ 1.0 {0.028467 0.366745 0.260134} 0 Na39 69 0.0 1
11 {} Na+ 1.0 {0.0859162 0.410177 0.00334566} 0 Na40 70 0.0 1
17 {} Cl -1.0 {0.033675 0.354751 0.994589} 0 Cl31 71 0.0 1
17 {} Cl -1.0 {0.0865352 0.420258 0.257226} 0 Cl32 72 0.0 1
17 {} Cl -1.0 {0.029922 0.360286 0.0603418} 0 Cl33 73 0.0 1
17 {} Cl -1.0 {0.0799344 0.4147 0.20079} 0 Cl34 74 0.0 1
17 {} Cl -1.0 {0.0281961 0.360408 0.116027} 7 Cl35 75 0.0 1
17 {} Cl -1.0 {0.0837517 0.415964 0.143955} 7 Cl36 76 0.0 1
17 {} Cl -1.0 {0.0281788 0.36423 0.174481} 0 Cl37 77 0.0 1
17 {} Cl -1.0 {0.0890427 0.411051 0.0863677} 0 Cl38 78 0.0 1
17 {} Cl -1.0 {0.0227503 0.368668 0.22942} 0 Cl39 79 0.0 1
17 {} Cl -1.0 {0.0852612 0.418836 0.031433} 0 Cl40 80 0.0 1
11 {} Na+ 1.0 {0.0279084 0.472704 0.0315282} 0 Na41 81 0.0 1
11 {} Na+ 1.0 {0.0868281 0.529361 0.228814} 0 Na42 82 0.0 1
11 {} Na+ 1.0 {0.0249711 0.470912 0.0860919} 0 Na43 83 0.0 1
11 {} Na+ 1.0 {0.0848418 0.525638 0.172807} 0 Na44 84 0.0 1
11 {} Na+ 1.0 {0.0281961 0.471519 0.143955} 7 Na45 85 0.0 1
11 {} Na+ 1.0 {0.0837517 0.527075 0.116027} 7 Na46 86 0.0 1
11 {} Na+ 1.0 {0.0321143 0.475393 0.200177} 0 Na47 87 0.0 1
11 {} Na+ 1.0 {0.0807341 0.528191 0.0586741} 0 Na48 88 0.0 1
11 {} Na+ 1.0 {0.0315718 0.47197 0.256124} 0 Na49 89 0.0 1
11 {} Na+ 1.0 {0.084607 0.518622 0.00134623} 0 Na50 90 0.0 1
17 {} Cl -1.0 {0.02985 0.462474 0.00265472} 0 Cl41 91 0.0 1
17 {} Cl -1.0 {0.087973 0.529919 0.256417} 0 Cl42 92 0.0 1
17 {} Cl -1.0 {0.0292099 0.468581 0.0582121} 0 Cl43 93 0.0 1
17 {} Cl -1.0 {0.0835475 0.531706 0.200757} 0 Cl44 94 0.0 1
17 {} Cl -1.0 {0.0281961 0.471519 0.116027} 7 Cl45 95 0.0 1
17 {} Cl -1.0 {0.0837517 0.527075 0.143955} 7 Cl46 96 0.0 1
17 {} Cl -1.0 {0.0279583 0.470628 0.172018} 0 Cl47 97 0.0 1
17 {} Cl -1.0 {0.0814698 0.522931 0.086487} 0 Cl48 98 0.0 1
17 {} Cl -1.0 {0.0312765 0.475734 0.229323} 0 Cl49 99 0.0 1
17 {} Cl -1.0 {0.0809127 0.527393 0.0310842} 0 Cl50 100 0.0 1
11 {} Na+ 1.0 {0.0292851 0.580307 0.0269608} 0 Na51 101 0.0 1
11 {} Na+ 1.0 {0.0835258 0.638811 0.230099} 0 Na52 102 0.0 1
11 {} Na+ 1.0 {0.0223348 0.581254 0.0879613} 0 Na53 103 0.0 1
11 {} Na+ 1.0 {0.0835496 0.632543 0.17152} 0 Na54 104 0.0 1
11 {} Na+ 1.0 {0.0281961 0.58263 0.143955} 7 Na55 105 0.0 1
11 {} Na+ 1.0 {0.0837517 0.638186 0.116027} 7 Na56 106 0.0 1
11 {} Na+ 1.0 {0.0315967 0.586698 0.20055} 0 Na57 107 0.0 1
11 {} Na+ 1.0 {0.0814249 0.634713 0.0612885} 0 Na58 108 0.0 1
11 {} Na+ 1.0 {0.0321042 0.582367 0.25857} 0 Na59 109 0.0 1
11 {} Na+ 1.0 {0.0863697 0.629166 0.999691} 0 Na60 110 0.0 1
17 {} Cl -1.0 {0.0258818 0.572212 0.000696924} 0 Cl51 111 0.0 1
17 {} Cl -1.0 {0.0796792 0.642686 0.2597} 0 Cl52 112 0.0 1
17 {} Cl -1.0 {0.0283293 0.581023 0.0581518} 0 Cl53 113 0.0 1
17 {} Cl -1.0 {0.0868482 0.638022 0.198359} 0 Cl54 114 0.0 1
17 {} Cl -1.0 {0.0281961 0.58263 0.116027} 7 Cl55 115 0.0 1
17 {} Cl -1.0 {0.0837517 0.638186 0.143955} 7 Cl56 116 0.0 1
17 {} Cl -1.0 {0.0281142 0.580106 0.172104} 0 Cl57 117 0.0 1
17 {} Cl -1.0 {0.0768055 0.63587 0.0884712} 0 Cl58 118 0.0 1
17 {} Cl -1.0 {0.0283159 0.58596 0.230047} 0 Cl59 119 0.0 1
17 {} Cl -1.0 {0.0803289 0.636565 0.0285098} 0 Cl60 120 0.0 1
11 {} Na+ 1.0 {0.0292747 0.691138 0.0319633} 0 Na61 121 0.0 1
11 {} Na+ 1.0 {0.09192 0.747865 0.22816} 0 Na62 122 0.0 1
11 {} Na+ 1.0 {0.0263945 0.695065 0.0876938} 0 Na63 123 0.0 1
11 {} Na+ 1.0 {0.0819128 0.751124 0.172538} 0 Na64 124 0.0 1
11 {} Na+ 1.0 {0.0281961 0.693742 0.143955} 7 Na65 125 0.0 1
11 {} Na+ 1.0 {0.0837517 0.749297 0.116027} 7 Na66 126 0.0 1
11 {} Na+ 1.0 {0.028291 0.691229 0.200583} 0 Na67 127 0.0 1
11 {} Na+ 1.0 {0.0887455 0.743002 0.0597843} 0 Na68 128 0.0 1
11 {} Na+ 1.0 {0.0303523 0.701189 0.256482} 0 Na69 129 0.0 1
11 {} Na+ 1.0 {0.0874182 0.74725 0.00227399} 0 Na70 130 0.0 1
17 {} Cl -1.0 {0.0283575 0.689444 0.99957} 0 Cl61 131 0.0 1
17 {} Cl -1.0 {0.0873546 0.752548 0.256054} 0 Cl62 132 0.0 1
17 {} Cl -1.0 {0.03278 0.696638 0.0589448} 0 Cl63 133 0.0 1
17 {} Cl -1.0 {0.0867475 0.750833 0.199962} 0 Cl64 134 0.0 1
17 {} Cl -1.0 {0.0281961 0.693742 0.116027} 7 Cl65 135 0.0 1
17 {} Cl -1.0 {0.0837517 0.749297 0.143955} 7 Cl66 136 0.0 1
17 {} Cl -1.0 {0.0336101 0.696585 0.170853} 0 Cl67 137 0.0 1
17 {} Cl -1.0 {0.0867507 0.745737 0.0861623} 0 Cl68 138 0.0 1
17 {} Cl -1.0 {0.0313799 0.692817 0.227914} 0 Cl69 139 0.0 1
17 {} Cl -1.0 {0.0876623 0.744146 0.0298932} 0 Cl70 140 0.0 1
11 {} Na+ 1.0 {0.0310172 0.805401 0.0301816} 0 Na71 141 0.0 1
11 {} Na+ 1.0 {0.0852561 0.857647 0.226925} 0 Na72 142 0.0 1
11 {} Na+ 1.0 {0.032947 0.800639 0.0876171} 0 Na73 143 0.0 1
11 {} Na+ 1.0 {0.0914565 0.861488 0.173327} 0 Na74 144 0.0 1
11 {} Na+ 1.0 {0.0281961 0.804853 0.143955} 7 Na75 145 0.0 1
11 {} Na+ 1.0 {0.0837517 0.860408 0.116027} 7 Na76 146 0.0 1
11 {} Na+ 1.0 {0.0340401 0.806651 0.20167} 0 Na77 147 0.0 1
11 {} Na+ 1.0 {0.0833171 0.860049 0.058688} 0 Na78 148 0.0 1
11 {} Na+ 1.0 {0.0261466 0.804976 0.257629} 0 Na79 149 0.0 1
11 {} Na+ 1.0 {0.0875884 0.859568 0.002575} 0 Na80 150 0.0 1
17 {} Cl -1.0 {0.025592 0.798442 0.000694696} 0 Cl71 151 0.0 1
17 {} Cl -1.0 {0.0826195 0.860613 0.259141} 0 Cl72 152 0.0 1
17 {} Cl -1.0 {0.0283124 0.797984 0.0566881} 0 Cl73 153 0.0 1
17 {} Cl -1.0 {0.0893059 0.863455 0.199799} 0 Cl74 154 0.0 1
17 {} Cl -1.0 {0.0281961 0.804853 0.116027} 7 Cl75 155 0.0 1
17 {} Cl -1.0 {0.0837517 0.860408 0.143955} 7 Cl76 156 0.0 1
17 {} Cl -1.0 {0.0307471 0.808189 0.172972} 0 Cl77 157 0.0 1
17 {} Cl -1.0 {0.0847077 0.856625 0.0873759} 0 Cl78 158 0.0 1
17 {} Cl -1.0 {0.0336087 0.803792 0.228954} 0 Cl79 159 0.0 1
17 {} Cl -1.0 {0.0894013 0.861125 0.0311777} 0 Cl80 160 0.0 1
11 {} Na+ 1.0 {0.0294236 0.912055 0.0313694} 0 Na81 161 0.0 1
11 {} Na+ 1.0 {0.0866948 0.975156 0.228622} 0 Na82 162 0.0 1
11 {} Na+ 1.0 {0.0272104 0.91253 0.0880424} 0 Na83 163 0.0 1
11 {} Na+ 1.0 {0.0847771 0.974354 0.172581} 0 Na84 164 0.0 1
11 {} Na+ 1.0 {0.0281961 0.915964 0.143955} 7 Na85 165 0.0 1
11 {} Na+ 1.0 {0.0837517 0.971519 0.116027} 7 Na86 166 0.0 1
11 {} Na+ 1.0 {0.0369374 0.915746 0.197797} 0 Na87 167 0.0 1
11 {} Na+ 1.0 {0.0904825 0.97218 0.0599154} 0 Na88 168 0.0 1
11 {} Na+ 1.0 {0.0336303 0.913795 0.256019} 0 Na89 169 0.0 1
11 {} Na+ 1.0 {0.0899078 0.969218 0.000779474} 0 Na90 170 0.0 1
17 {} Cl -1.0 {0.0346145 0.918551 0.00354568} 0 Cl81 171 0.0 1
17 {} Cl -1.0 {0.0842286 0.969487 0.259067} 0 Cl82 172 0.0 1
17 {} Cl -1.0 {0.029896 0.909736 0.0592423} 0 Cl83 173 0.0 1
17 {} Cl -1.0 {0.0893778 0.969461 0.199959} 0 Cl84 174 0.0 1
17 {} Cl -1.0 {0.0281961 0.915964 0.116027} 7 Cl85 175 0.0 1
17 {} Cl -1.0 {0.0837517 0.971519 0.143955} 7 Cl86 176 0.0 1
17 {} Cl -1.0 {0.0344402 0.915091 0.172162} 0 Cl87 177 0.0 1
17 {} Cl -1.0 {0.084904 0.9661 0.0884168} 0 Cl88 178 0.0 1
17 {} Cl -1.0 {0.0332788 0.917015 0.229688} 0 Cl89 179 0.0 1
17 {} Cl -1.0 {0.0901352 0.97667 0.0314341} 0 Cl90 180 0.0 1
11 {} Na+ 1.0 {0.142147 0.0260033 0.0288364} 0 Na91 181 0.0 1
11 {} Na+ 1.0 {0.195205 0.0916035 0.22897} 0 Na92 182 0.0 1
11 {} Na+ 1.0 {0.14263 0.0249967 0.0872883} 0 Na93 183 0.0 1
11 {} Na+ 1.0 {0.194445 0.0801712 0.172193} 0 Na94 184 0.0 1
11 {} Na+ 1.0 {0.139307 0.0270749 0.143955} 7 Na95 185 0.0 1
11 {} Na+ 1.0 {0.194863 0.0826305 0.116027} 7 Na96 186 0.0 1
11 {} Na+ 1.0 {0.137596 0.0275513 0.200117} 0 Na97 187 0.0 1
11 {} Na+ 1.0 {0.197626 0.0754916 0.0604039} 0 Na98 188 0.0 1
11 {} Na+ 1.0 {0.139139 0.0301369 0.259889} 0 Na99 189 0.0 1
11 {} Na+ 1.0 {0.199966 0.0815983 0.00244361} 0 Na100 190 0.0 1
17 {} Cl -1.0 {0.144586 0.0204048 0.99634} 0 Cl91 191 0.0 1
17 {} Cl -1.0 {0.198428 0.0847801 0.260033} 0 Cl92 192 0.0 1
17 {} Cl -1.0 {0.144301 0.0212499 0.0574545} 0 Cl93 193 0.0 1
17 {} Cl -1.0 {0.193743 0.0821812 0.201634} 0 Cl94 194 0.0 1
17 {} Cl -1.0 {0.139307 0.0270749 0.116027} 7 Cl95 195 0.0 1
17 {} Cl -1.0 {0.194863 0.0826305 0.143955} 7 Cl96 196 0.0 1
17 {} Cl -1.0 {0.144335 0.0253578 0.171206} 0 Cl97 197 0.0 1
17 {} Cl -1.0 {0.198643 0.083776 0.087407} 0 Cl98 198 0.0 1
17 {} Cl -1.0 {0.144218 0.0304007 0.230162} 0 Cl99 199 0.0 1
17 {} Cl -1.0 {0.197732 0.0747641 0.0306777} 0 Cl100 200 0.0 1
11 {} Na+ 1.0 {0.139133 0.138406 0.0321542} 0 Na101 201 0.0 1
11 {} Na+ 1.0 {0.199079 0.207349 0.231027} 0 Na102 202 0.0 1
11 {} Na+ 1.0 {0.140765 0.13721 0.0873144} 0 Na103 203 0.0 1
11 {} Na+ 1.0 {0.196862 0.200587 0.173416} 0 Na104 204 0.0 1
11 {} Na+ 1.0 {0.139307 0.138186 0.143955} 7 Na105 205 0.0 1
11 {} Na+ 1.0 {0.194863 0.193742 0.116027} 7 Na106 206 0.0 1
11 {} Na+ 1.0 {0.13739 0.140756 0.2013} 0 Na107 207 0.0 1
11 {} Na+ 1.0 {0.194895 0.191917 0.0609458} 0 Na108 208 0.0 1
11 {} Na+ 1.0 {0.133096 0.139531 0.262706} 0 Na109 209 0.0 1
11 {} Na+ 1.0 {0.195947 0.191152 0.00288274} 0 Na110 210 0.0 1
17 {} Cl -1.0 {0.141609 0.137375 0.00189014} 0 Cl101 211 0.0 1
17 {} Cl -1.0 {0.191444 0.191773 0.261007} 0 Cl102 212 0.0 1
17 {} Cl -1.0 {0.141282 0.139562 0.0590939} 0 Cl103 213 0.0 1
17 {} Cl -1.0 {0.19609 0.200326 0.200999} 0 Cl104 214 0.0 1
17 {} Cl -1.0 {0.139307 0.138186 0.116027} 7 Cl105 215 0.0 1
17 {} Cl -1.0 {0.194863 0.193742 0.143955} 7 Cl106 216 0.0 1
17 {} Cl -1.0 {0.140677 0.14091 0.171666} 0 Cl107 217 0.0 1
17 {} Cl -1.0 {0.196646 0.190396 0.0876724} 0 Cl108 218 0.0 1
17 {} Cl -1.0 {0.134173 0.143775 0.230075} 0 Cl109 219 0.0 1
17 {} Cl -1.0 {0.200892 0.189462 0.0312255} 0 Cl110 220 0.0 1
11 {} Na+ 1.0 {0.143282 0.24471 0.0305421} 0 Na111 221 0.0 1
11 {} Na+ 1.0 {0.199771 0.312654 0.229506} 0 Na112 222 0.0 1
11 {} Na+ 1.0 {0.138588 0.246663 0.0886917} 0 Na113 223 0.0 1
11 {} Na+ 1.0 {0.195136 0.310923 0.173765} 0 Na114 224 0.0 1
11 {} Na+ 1.0 {0.139307 0.249297 0.143955} 7 Na115 225 0.0 1
11 {} Na+ 1.0 {0.194863 0.304853 0.116027} 7 Na116 226 0.0 1
11 {} Na+ 1.0 {0.138438 0.255181 0.203442} 0 Na117 227 0.0 1
11 {} Na+ 1.0 {0.197626 0.305124 0.0589963} 0 Na118 228 0.0 1
11 {} Na+ 1.0 {0.142198 0.25689 0.260315} 0 Na119 229 0.0 1
11 {} Na+ 1.0 {0.198465 0.308826 0.999429} 0 Na120 230 0.0 1
17 {} Cl -1.0 {0.146533 0.250584 0.00254087} 0 Cl111 231 0.0 1
17 {} Cl -1.0 {0.200767 0.309406 0.259425} 0 Cl112 232 0.0 1
17 {} Cl -1.0 {0.144509 0.248353 0.0592916} 0 Cl113 233 0.0 1
17 {} Cl -1.0 {0.1956 0.304582 0.202215} 0 Cl114 234 0.0 1
17 {} Cl -1.0 {0.139307 0.249297 0.116027} 7 Cl115 235 0.0 1
17 {} Cl -1.0 {0.194863 0.304853 0.143955} 7 Cl116 236 0.0 1
17 {} Cl -1.0 {0.139164 0.251724 0.171872} 0 Cl117 237 0.0 1
17 {} Cl -1.0 {0.19924 0.303527 0.0868458} 0 Cl118 238 0.0 1
17 {} Cl -1.0 {0.142392 0.256488 0.232111} 0 Cl119 239 0.0 1
17 {} Cl -1.0 {0.197229 0.299307 0.0288929} 0 Cl120 240 0.0 1
11 {} Na+ 1.0 {0.14007 0.359673 0.0309628} 0 Na121 241 0.0 1
11 {} Na+ 1.0 {0.194328 0.41804 0.228193} 0 Na122 242 0.0 1
11 {} Na+ 1.0 {0.140682 0.355126 0.0880637} 0 Na123 243 0.0 1
11 {} Na+ 1.0 {0.194968 0.414317 0.171257} 0 Na124 244 0.0 1
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17 {} Cl -1.0 {0.583752 0.360408 0.116027} 7 Cl485 975 0.0 1
17 {} Cl -1.0 {0.639307 0.415964 0.143955} 7 Cl486 976 0.0 1
17 {} Cl -1.0 {0.582457 0.361724 0.171879} 0 Cl487 977 0.0 1
17 {} Cl -1.0 {0.639783 0.413335 0.0884966} 0 Cl488 978 0.0 1
17 {} Cl -1.0 {0.586629 0.360307 0.228106} 0 Cl489 979 0.0 1
17 {} Cl -1.0 {0.640111 0.414381 0.0322328} 0 Cl490 980 0.0 1
11 {} Na+ 1.0 {0.587621 0.46989 0.0291823} 0 Na491 981 0.0 1
11 {} Na+ 1.0 {0.640694 0.530888 0.226249} 0 Na492 982 0.0 1
11 {} Na+ 1.0 {0.580169 0.467766 0.0873403} 0 Na493 983 0.0 1
11 {} Na+ 1.0 {0.636179 0.53369 0.171239} 0 Na494 984 0.0 1
11 {} Na+ 1.0 {0.583752 0.471519 0.143955} 7 Na495 985 0.0 1
11 {} Na+ 1.0 {0.639307 0.527075 0.116027} 7 Na496 986 0.0 1
11 {} Na+ 1.0 {0.588072 0.470708 0.19972} 0 Na497 987 0.0 1
11 {} Na+ 1.0 {0.640996 0.522753 0.061054} 0 Na498 988 0.0 1
11 {} Na+ 1.0 {0.584594 0.472602 0.2565} 0 Na499 989 0.0 1
11 {} Na+ 1.0 {0.639649 0.525292 0.00223222} 0 Na500 990 0.0 1
17 {} Cl -1.0 {0.591344 0.466083 0.00231347} 0 Cl491 991 0.0 1
17 {} Cl -1.0 {0.638617 0.528283 0.256975} 0 Cl492 992 0.0 1
17 {} Cl -1.0 {0.584208 0.467866 0.0588937} 0 Cl493 993 0.0 1
17 {} Cl -1.0 {0.64656 0.533047 0.201057} 0 Cl494 994 0.0 1
17 {} Cl -1.0 {0.583752 0.471519 0.116027} 7 Cl495 995 0.0 1
17 {} Cl -1.0 {0.639307 0.527075 0.143955} 7 Cl496 996 0.0 1
17 {} Cl -1.0 {0.580601 0.469054 0.171913} 0 Cl497 997 0.0 1
17 {} Cl -1.0 {0.635825 0.52822 0.0867655} 0 Cl498 998 0.0 1
17 {} Cl -1.0 {0.590689 0.473973 0.225592} 0 Cl499 999 0.0 1
17 {} Cl -1.0 {0.638196 0.527726 0.0311678} 0 Cl500 1000 0.0 1
11 {} Na+ 1.0 {0.58309 0.582514 0.0310664} 0 Na501 1001 0.0 1
11 {} Na+ 1.0 {0.637402 0.644191 0.230268} 0 Na502 1002 0.0 1
11 {} Na+ 1.0 {0.578926 0.581352 0.0855402} 0 Na503 1003 0.0 1
11 {} Na+ 1.0 {0.637748 0.639102 0.172024} 0 Na504 1004 0.0 1
11 {} Na+ 1.0 {0.583752 0.58263 0.143955} 7 Na505 1005 0.0 1
11 {} Na+ 1.0 {0.639307 0.638186 0.116027} 7 Na506 1006 0.0 1
11 {} Na+ 1.0 {0.576791 0.58381 0.202029} 0 Na507 1007 0.0 1
11 {} Na+ 1.0 {0.636286 0.63799 0.0594111} 0 Na508 1008 0.0 1
11 {} Na+ 1.0 {0.587103 0.582608 0.258366} 0 Na509 1009 0.0 1
11 {} Na+ 1.0 {0.640546 0.640939 0.00244707} 0 Na510 1010 0.0 1
17 {} Cl -1.0 {0.592286 0.58001 0.000444896} 0 Cl501 1011 0.0 1
17 {} Cl -1.0 {0.639887 0.64964 0.256416} 0 Cl502 1012 0.0 1
17 {} Cl -1.0 {0.582218 0.583243 0.0600313} 0 Cl503 1013 0.0 1
17 {} Cl -1.0 {0.639227 0.641881 0.20051} 0 Cl504 1014 0.0 1
17 {} Cl -1.0 {0.583752 0.58263 0.116027} 7 Cl505 1015 0.0 1
17 {} Cl -1.0 {0.639307 0.638186 0.143955} 7 Cl506 1016 0.0 1
17 {} Cl -1.0 {0.581009 0.587689 0.172435} 0 Cl507 1017 0.0 1
17 {} Cl -1.0 {0.640323 0.640089 0.0872943} 0 Cl508 1018 0.0 1
17 {} Cl -1.0 {0.585647 0.578017 0.22856} 0 Cl509 1019 0.0 1
17 {} Cl -1.0 {0.635934 0.633369 0.0303834} 0 Cl510 1020 0.0 1
11 {} Na+ 1.0 {0.581814 0.695874 0.0316488} 0 Na511 1021 0.0 1
11 {} Na+ 1.0 {0.636478 0.755435 0.22764} 0 Na512 1022 0.0 1
11 {} Na+ 1.0 {0.585499 0.693145 0.0868408} 0 Na513 1023 0.0 1
11 {} Na+ 1.0 {0.63847 0.746281 0.170918} 0 Na514 1024 0.0 1
11 {} Na+ 1.0 {0.583752 0.693742 0.143955} 7 Na515 1025 0.0 1
11 {} Na+ 1.0 {0.639307 0.749297 0.116027} 7 Na516 1026 0.0 1
11 {} Na+ 1.0 {0.591252 0.695554 0.198557} 0 Na517 1027 0.0 1
11 {} Na+ 1.0 {0.641285 0.750179 0.058401} 0 Na518 1028 0.0 1
11 {} Na+ 1.0 {0.583272 0.691672 0.262973} 0 Na519 1029 0.0 1
11 {} Na+ 1.0 {0.640028 0.747237 0.000550027} 0 Na520 1030 0.0 1
17 {} Cl -1.0 {0.582667 0.690105 0.0026942} 0 Cl511 1031 0.0 1
17 {} Cl -1.0 {0.638515 0.755978 0.257134} 0 Cl512 1032 0.0 1
17 {} Cl -1.0 {0.579941 0.690716 0.0567173} 0 Cl513 1033 0.0 1
17 {} Cl -1.0 {0.6419 0.7523 0.199008} 0 Cl514 1034 0.0 1
17 {} Cl -1.0 {0.583752 0.693742 0.116027} 7 Cl515 1035 0.0 1
17 {} Cl -1.0 {0.639307 0.749297 0.143955} 7 Cl516 1036 0.0 1
17 {} Cl -1.0 {0.58593 0.699211 0.172107} 0 Cl517 1037 0.0 1
17 {} Cl -1.0 {0.642892 0.746293 0.0875226} 0 Cl518 1038 0.0 1
17 {} Cl -1.0 {0.582795 0.695187 0.226451} 0 Cl519 1039 0.0 1
17 {} Cl -1.0 {0.637204 0.74227 0.0305447} 0 Cl520 1040 0.0 1
11 {} Na+ 1.0 {0.586539 0.801484 0.0306855} 0 Na521 1041 0.0 1
11 {} Na+ 1.0 {0.645436 0.866223 0.227232} 0 Na522 1042 0.0 1
11 {} Na+ 1.0 {0.585428 0.801513 0.0877825} 0 Na523 1043 0.0 1
11 {} Na+ 1.0 {0.640898 0.863 0.172317} 0 Na524 1044 0.0 1
11 {} Na+ 1.0 {0.583752 0.804853 0.143955} 7 Na525 1045 0.0 1
11 {} Na+ 1.0 {0.639307 0.860408 0.116027} 7 Na526 1046 0.0 1
11 {} Na+ 1.0 {0.577614 0.812739 0.198755} 0 Na527 1047 0.0 1
11 {} Na+ 1.0 {0.636182 0.860934 0.0593429} 0 Na528 1048 0.0 1
11 {} Na+ 1.0 {0.585914 0.805999 0.254108} 0 Na529 1049 0.0 1
11 {} Na+ 1.0 {0.644527 0.858414 0.0012883} 0 Na530 1050 0.0 1
17 {} Cl -1.0 {0.581427 0.804623 0.00175394} 0 Cl521 1051 0.0 1
17 {} Cl -1.0 {0.641114 0.861428 0.255104} 0 Cl522 1052 0.0 1
17 {} Cl -1.0 {0.588351 0.800597 0.0585827} 0 Cl523 1053 0.0 1
17 {} Cl -1.0 {0.637542 0.867063 0.200539} 0 Cl524 1054 0.0 1
17 {} Cl -1.0 {0.583752 0.804853 0.116027} 7 Cl525 1055 0.0 1
17 {} Cl -1.0 {0.639307 0.860408 0.143955} 7 Cl526 1056 0.0 1
17 {} Cl -1.0 {0.580185 0.80531 0.170694} 0 Cl527 1057 0.0 1
17 {} Cl -1.0 {0.641473 0.857432 0.087809} 0 Cl528 1058 0.0 1
17 {} Cl -1.0 {0.580884 0.808186 0.227763} 0 Cl529 1059 0.0 1
17 {} Cl -1.0 {0.643586 0.855582 0.0326018} 0 Cl530 1060 0.0 1
11 {} Na+ 1.0 {0.588453 0.909238 0.0300009} 0 Na531 1061 0.0 1
11 {} Na+ 1.0 {0.641555 0.978092 0.229321} 0 Na532 1062 0.0 1
11 {} Na+ 1.0 {0.585001 0.913856 0.0880534} 0 Na533 1063 0.0 1
11 {} Na+ 1.0 {0.642908 0.971149 0.169868} 0 Na534 1064 0.0 1
11 {} Na+ 1.0 {0.583752 0.915964 0.143955} 7 Na535 1065 0.0 1
11 {} Na+ 1.0 {0.639307 0.971519 0.116027} 7 Na536 1066 0.0 1
11 {} Na+ 1.0 {0.589106 0.922095 0.201575} 0 Na537 1067 0.0 1
11 {} Na+ 1.0 {0.643359 0.969685 0.0600173} 0 Na538 1068 0.0 1
11 {} Na+ 1.0 {0.583875 0.913149 0.257765} 0 Na539 1069 0.0 1
11 {} Na+ 1.0 {0.646053 0.968466 0.00364743} 0 Na540 1070 0.0 1
17 {} Cl -1.0 {0.5892 0.91896 0.0034322} 0 Cl531 1071 0.0 1
17 {} Cl -1.0 {0.638807 0.975359 0.261051} 0 Cl532 1072 0.0 1
17 {} Cl -1.0 {0.587511 0.917573 0.0579749} 0 Cl533 1073 0.0 1
17 {} Cl -1.0 {0.638907 0.977441 0.198952} 0 Cl534 1074 0.0 1
17 {} Cl -1.0 {0.583752 0.915964 0.116027} 7 Cl535 1075 0.0 1
17 {} Cl -1.0 {0.639307 0.971519 0.143955} 7 Cl536 1076 0.0 1
17 {} Cl -1.0 {0.589407 0.9201 0.172214} 0 Cl537 1077 0.0 1
17 {} Cl -1.0 {0.644398 0.96713 0.0874088} 0 Cl538 1078 0.0 1
17 {} Cl -1.0 {0.59032 0.926212 0.230885} 0 Cl539 1079 0.0 1
17 {} Cl -1.0 {0.645502 0.967088 0.0327531} 0 Cl540 1080 0.0 1
11 {} Na+ 1.0 {0.697089 0.0193518 0.0341006} 0 Na541 1081 0.0 1
11 {} Na+ 1.0 {0.752722 0.0863314 0.231757} 0 Na542 1082 0.0 1
11 {} Na+ 1.0 {0.700682 0.0242431 0.0880661} 0 Na543 1083 0.0 1
11 {} Na+ 1.0 {0.750954 0.0841599 0.173605} 0 Na544 1084 0.0 1
11 {} Na+ 1.0 {0.694863 0.0270749 0.143955} 7 Na545 1085 0.0 1
11 {} Na+ 1.0 {0.750418 0.0826305 0.116027} 7 Na546 1086 0.0 1
11 {} Na+ 1.0 {0.691562 0.0291791 0.198688} 0 Na547 1087 0.0 1
11 {} Na+ 1.0 {0.749676 0.0778653 0.0587306} 0 Na548 1088 0.0 1
11 {} Na+ 1.0 {0.700981 0.0248521 0.260327} 0 Na549 1089 0.0 1
11 {} Na+ 1.0 {0.75158 0.0827085 0.000678734} 0 Na550 1090 0.0 1
17 {} Cl -1.0 {0.693594 0.028264 0.00329766} 0 Cl541 1091 0.0 1
17 {} Cl -1.0 {0.753036 0.0851267 0.258916} 0 Cl542 1092 0.0 1
17 {} Cl -1.0 {0.697055 0.0294016 0.0606877} 0 Cl543 1093 0.0 1
17 {} Cl -1.0 {0.754062 0.0867748 0.199224} 0 Cl544 1094 0.0 1
17 {} Cl -1.0 {0.694863 0.0270749 0.116027} 7 Cl545 1095 0.0 1
17 {} Cl -1.0 {0.750418 0.0826305 0.143955} 7 Cl546 1096 0.0 1
17 {} Cl -1.0 {0.698472 0.0250058 0.171441} 0 Cl547 1097 0.0 1
17 {} Cl -1.0 {0.750056 0.0776517 0.0882794} 0 Cl548 1098 0.0 1
17 {} Cl -1.0 {0.696726 0.034008 0.231732} 0 Cl549 1099 0.0 1
17 {} Cl -1.0 {0.759516 0.0819802 0.031532} 0 Cl550 1100 0.0 1
11 {} Na+ 1.0 {0.699552 0.13822 0.0301519} 0 Na551 1101 0.0 1
11 {} Na+ 1.0 {0.754078 0.196467 0.232201} 0 Na552 1102 0.0 1
11 {} Na+ 1.0 {0.699663 0.139822 0.0875874} 0 Na553 1103 0.0 1
11 {} Na+ 1.0 {0.750155 0.193734 0.172838} 0 Na554 1104 0.0 1
11 {} Na+ 1.0 {0.694863 0.138186 0.143955} 7 Na555 1105 0.0 1
11 {} Na+ 1.0 {0.750418 0.193742 0.116027} 7 Na556 1106 0.0 1
11 {} Na+ 1.0 {0.699783 0.142917 0.200404} 0 Na557 1107 0.0 1
11 {} Na+ 1.0 {0.750507 0.191279 0.0599019} 0 Na558 1108 0.0 1
11 {} Na+ 1.0 {0.699462 0.144802 0.260743} 0 Na559 1109 0.0 1
11 {} Na+ 1.0 {0.754235 0.193154 0.995547} 0 Na560 1110 0.0 1
17 {} Cl -1.0 {0.699218 0.138554 0.00237086} 0 Cl551 1111 0.0 1
17 {} Cl -1.0 {0.756626 0.194377 0.260517} 0 Cl552 1112 0.0 1
17 {} Cl -1.0 {0.700786 0.137763 0.0592221} 0 Cl553 1113 0.0 1
17 {} Cl -1.0 {0.754446 0.198371 0.201257} 0 Cl554 1114 0.0 1
17 {} Cl -1.0 {0.694863 0.138186 0.116027} 7 Cl555 1115 0.0 1
17 {} Cl -1.0 {0.750418 0.193742 0.143955} 7 Cl556 1116 0.0 1
17 {} Cl -1.0 {0.698731 0.144189 0.172644} 0 Cl557 1117 0.0 1
17 {} Cl -1.0 {0.753167 0.192722 0.0873617} 0 Cl558 1118 0.0 1
17 {} Cl -1.0 {0.699097 0.136252 0.230716} 0 Cl559 1119 0.0 1
17 {} Cl -1.0 {0.752235 0.193321 0.0294676} 0 Cl560 1120 0.0 1
11 {} Na+ 1.0 {0.693673 0.242667 0.0311412} 0 Na561 1121 0.0 1
11 {} Na+ 1.0 {0.753184 0.305921 0.23281} 0 Na562 1122 0.0 1
11 {} Na+ 1.0 {0.695494 0.248967 0.0888341} 0 Na563 1123 0.0 1
11 {} Na+ 1.0 {0.758474 0.302515 0.170855} 0 Na564 1124 0.0 1
11 {} Na+ 1.0 {0.694863 0.249297 0.143955} 7 Na565 1125 0.0 1
11 {} Na+ 1.0 {0.750418 0.304853 0.116027} 7 Na566 1126 0.0 1
11 {} Na+ 1.0 {0.698471 0.252653 0.200928} 0 Na567 1127 0.0 1
11 {} Na+ 1.0 {0.755433 0.302737 0.0583472} 0 Na568 1128 0.0 1
11 {} Na+ 1.0 {0.696688 0.251263 0.258458} 0 Na569 1129 0.0 1
11 {} Na+ 1.0 {0.749355 0.306663 0.00342174} 0 Na570 1130 0.0 1
17 {} Cl -1.0 {0.698496 0.250995 0.00254332} 0 Cl561 1131 0.0 1
17 {} Cl -1.0 {0.753241 0.304309 0.25806} 0 Cl562 1132 0.0 1
17 {} Cl -1.0 {0.693214 0.253738 0.0616384} 0 Cl563 1133 0.0 1
17 {} Cl -1.0 {0.749041 0.304467 0.202617} 0 Cl564 1134 0.0 1
17 {} Cl -1.0 {0.694863 0.249297 0.116027} 7 Cl565 1135 0.0 1
17 {} Cl -1.0 {0.750418 0.304853 0.143955} 7 Cl566 1136 0.0 1
17 {} Cl -1.0 {0.696124 0.24902 0.172718} 0 Cl567 1137 0.0 1
17 {} Cl -1.0 {0.752641 0.305162 0.0879623} 0 Cl568 1138 0.0 1
17 {} Cl -1.0 {0.69742 0.249644 0.231502} 0 Cl569 1139 0.0 1
17 {} Cl -1.0 {0.749047 0.304331 0.0307242} 0 Cl570 1140 0.0 1
11 {} Na+ 1.0 {0.700385 0.360022 0.0323251} 0 Na571 1141 0.0 1
11 {} Na+ 1.0 {0.754183 0.414303 0.228326} 0 Na572 1142 0.0 1
11 {} Na+ 1.0 {0.699593 0.358991 0.0876555} 0 Na573 1143 0.0 1
11 {} Na+ 1.0 {0.745901 0.420438 0.172886} 0 Na574 1144 0.0 1
11 {} Na+ 1.0 {0.694863 0.360408 0.143955} 7 Na575 1145 0.0 1
11 {} Na+ 1.0 {0.750418 0.415964 0.116027} 7 Na576 1146 0.0 1
11 {} Na+ 1.0 {0.696969 0.356594 0.199586} 0 Na577 1147 0.0 1
11 {} Na+ 1.0 {0.752362 0.416291 0.0607197} 0 Na578 1148 0.0 1
11 {} Na+ 1.0 {0.703069 0.365079 0.259798} 0 Na579 1149 0.0 1
11 {} Na+ 1.0 {0.750108 0.41387 0.000933933} 0 Na580 1150 0.0 1
17 {} Cl -1.0 {0.694651 0.359857 0.0015725} 0 Cl571 1151 0.0 1
17 {} Cl -1.0 {0.756096 0.416908 0.254914} 0 Cl572 1152 0.0 1
17 {} Cl -1.0 {0.698428 0.357327 0.0617385} 0 Cl573 1153 0.0 1
17 {} Cl -1.0 {0.748682 0.416612 0.20001} 0 Cl574 1154 0.0 1
17 {} Cl -1.0 {0.694863 0.360408 0.116027} 7 Cl575 1155 0.0 1
17 {} Cl -1.0 {0.750418 0.415964 0.143955} 7 Cl576 1156 0.0 1
17 {} Cl -1.0 {0.699732 0.357123 0.171135} 0 Cl577 1157 0.0 1
17 {} Cl -1.0 {0.750805 0.417641 0.0885385} 0 Cl578 1158 0.0 1
17 {} Cl -1.0 {0.696791 0.359938 0.230409} 0 Cl579 1159 0.0 1
17 {} Cl -1.0 {0.753292 0.413872 0.0320254} 0 Cl580 1160 0.0 1
11 {} Na+ 1.0 {0.691236 0.470192 0.0307014} 0 Na581 1161 0.0 1
11 {} Na+ 1.0 {0.753822 0.530631 0.22864} 0 Na582 1162 0.0 1
11 {} Na+ 1.0 {0.695254 0.468846 0.0867913} 0 Na583 1163 0.0 1
11 {} Na+ 1.0 {0.749258 0.529813 0.17157} 0 Na584 1164 0.0 1
11 {} Na+ 1.0 {0.694863 0.471519 0.143955} 7 Na585 1165 0.0 1
11 {} Na+ 1.0 {0.750418 0.527075 0.116027} 7 Na586 1166 0.0 1
11 {} Na+ 1.0 {0.692831 0.474753 0.202243} 0 Na587 1167 0.0 1
11 {} Na+ 1.0 {0.749861 0.528784 0.0603285} 0 Na588 1168 0.0 1
11 {} Na+ 1.0 {0.695589 0.47403 0.255367} 0 Na589 1169 0.0 1
11 {} Na+ 1.0 {0.754576 0.530324 0.00473875} 0 Na590 1170 0.0 1
17 {} Cl -1.0 {0.697789 0.46755 0.00272301} 0 Cl581 1171 0.0 1
17 {} Cl -1.0 {0.740176 0.525331 0.265942} 0 Cl582 1172 0.0 1
17 {} Cl -1.0 {0.69805 0.469228 0.0590125} 0 Cl583 1173 0.0 1
17 {} Cl -1.0 {0.753704 0.530323 0.201674} 0 Cl584 1174 0.0 1
17 {} Cl -1.0 {0.694863 0.471519 0.116027} 7 Cl585 1175 0.0 1
17 {} Cl -1.0 {0.750418 0.527075 0.143955} 7 Cl586 1176 0.0 1
17 {} Cl -1.0 {0.691322 0.479463 0.172737} 0 Cl587 1177 0.0 1
17 {} Cl -1.0 {0.7513 0.531387 0.0875292} 0 Cl588 1178 0.0 1
17 {} Cl -1.0 {0.700675 0.477421 0.230332} 0 Cl589 1179 0.0 1
17 {} Cl -1.0 {0.74641 0.525106 0.0313319} 0 Cl590 1180 0.0 1
11 {} Na+ 1.0 {0.690074 0.585576 0.0303195} 0 Na591 1181 0.0 1
11 {} Na+ 1.0 {0.751191 0.647731 0.230418} 0 Na592 1182 0.0 1
11 {} Na+ 1.0 {0.686179 0.581545 0.0893593} 0 Na593 1183 0.0 1
11 {} Na+ 1.0 {0.751532 0.640102 0.173046} 0 Na594 1184 0.0 1
11 {} Na+ 1.0 {0.694863 0.58263 0.143955} 7 Na595 1185 0.0 1
11 {} Na+ 1.0 {0.750418 0.638186 0.116027} 7 Na596 1186 0.0 1
11 {} Na+ 1.0 {0.700117 0.590233 0.202002} 0 Na597 1187 0.0 1
11 {} Na+ 1.0 {0.749947 0.635137 0.0606771} 0 Na598 1188 0.0 1
11 {} Na+ 1.0 {0.695748 0.589243 0.256034} 0 Na599 1189 0.0 1
11 {} Na+ 1.0 {0.748011 0.637853 0.00542213} 0 Na600 1190 0.0 1
17 {} Cl -1.0 {0.692476 0.579484 0.00131123} 0 Cl591 1191 0.0 1
17 {} Cl -1.0 {0.749932 0.636677 0.260609} 0 Cl592 1192 0.0 1
17 {} Cl -1.0 {0.690358 0.586858 0.0584088} 0 Cl593 1193 0.0 1
17 {} Cl -1.0 {0.751256 0.639482 0.202214} 0 Cl594 1194 0.0 1
17 {} Cl -1.0 {0.694863 0.58263 0.116027} 7 Cl595 1195 0.0 1
17 {} Cl -1.0 {0.750418 0.638186 0.143955} 7 Cl596 1196 0.0 1
17 {} Cl -1.0 {0.692563 0.589169 0.17208} 0 Cl597 1197 0.0 1
17 {} Cl -1.0 {0.752607 0.638758 0.088396} 0 Cl598 1198 0.0 1
17 {} Cl -1.0 {0.699588 0.58661 0.229885} 0 Cl599 1199 0.0 1
17 {} Cl -1.0 {0.751979 0.637326 0.0316719} 0 Cl600 1200 0.0 1
11 {} Na+ 1.0 {0.695202 0.692971 0.0319315} 0 Na601 1201 0.0 1
11 {} Na+ 1.0 {0.746198 0.752247 0.230268} 0 Na602 1202 0.0 1
11 {} Na+ 1.0 {0.694766 0.697015 0.0889358} 0 Na603 1203 0.0 1
11 {} Na+ 1.0 {0.752976 0.755497 0.171359} 0 Na604 1204 0.0 1
11 {} Na+ 1.0 {0.694863 0.693742 0.143955} 7 Na605 1205 0.0 1
11 {} Na+ 1.0 {0.750418 0.749297 0.116027} 7 Na606 1206 0.0 1
11 {} Na+ 1.0 {0.694721 0.694296 0.200989} 0 Na607 1207 0.0 1
11 {} Na+ 1.0 {0.748775 0.746355 0.0600141} 0 Na608 1208 0.0 1
11 {} Na+ 1.0 {0.694621 0.700104 0.259651} 0 Na609 1209 0.0 1
11 {} Na+ 1.0 {0.747147 0.750394 0.00400328} 0 Na610 1210 0.0 1
17 {} Cl -1.0 {0.692183 0.687711 0.00537654} 0 Cl601 1211 0.0 1
17 {} Cl -1.0 {0.745952 0.750747 0.258363} 0 Cl602 1212 0.0 1
17 {} Cl -1.0 {0.694031 0.696038 0.0562855} 0 Cl603 1213 0.0 1
17 {} Cl -1.0 {0.749088 0.749265 0.199317} 0 Cl604 1214 0.0 1
17 {} Cl -1.0 {0.694863 0.693742 0.116027} 7 Cl605 1215 0.0 1
17 {} Cl -1.0 {0.750418 0.749297 0.143955} 7 Cl606 1216 0.0 1
17 {} Cl -1.0 {0.695224 0.693874 0.171548} 0 Cl607 1217 0.0 1
17 {} Cl -1.0 {0.750667 0.748681 0.0870653} 0 Cl608 1218 0.0 1
17 {} Cl -1.0 {0.693451 0.695269 0.228046} 0 Cl609 1219 0.0 1
17 {} Cl -1.0 {0.750307 0.745535 0.0303594} 0 Cl610 1220 0.0 1
11 {} Na+ 1.0 {0.695943 0.798736 0.0307543} 0 Na611 1221 0.0 1
11 {} Na+ 1.0 {0.747252 0.858582 0.230757} 0 Na612 1222 0.0 1
11 {} Na+ 1.0 {0.700712 0.802102 0.087039} 0 Na613 1223 0.0 1
11 {} Na+ 1.0 {0.750794 0.860845 0.172651} 0 Na614 1224 0.0 1
11 {} Na+ 1.0 {0.694863 0.804853 0.143955} 7 Na615 1225 0.0 1
11 {} Na+ 1.0 {0.750418 0.860408 0.116027} 7 Na616 1226 0.0 1
11 {} Na+ 1.0 {0.700543 0.805191 0.199189} 0 Na617 1227 0.0 1
11 {} Na+ 1.0 {0.752295 0.858984 0.0573204} 0 Na618 1228 0.0 1
11 {} Na+ 1.0 {0.696733 0.804607 0.25717} 0 Na619 1229 0.0 1
11 {} Na+ 1.0 {0.752884 0.858047 0.00478915} 0 Na620 1230 0.0 1
17 {} Cl -1.0 {0.695511 0.807163 0.0034909} 0 Cl611 1231 0.0 1
17 {} Cl -1.0 {0.753915 0.860314 0.256379} 0 Cl612 1232 0.0 1
17 {} Cl -1.0 {0.693027 0.801812 0.0589903} 0 Cl613 1233 0.0 1
17 {} Cl -1.0 {0.755258 0.856061 0.200229} 0 Cl614 1234 0.0 1
17 {} Cl -1.0 {0.694863 0.804853 0.116027} 7 Cl615 1235 0.0 1
17 {} Cl -1.0 {0.750418 0.860408 0.143955} 7 Cl616 1236 0.0 1
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17 {} Cl -1.0 {0.753214 0.854782 0.0871029} 0 Cl618 1238 0.0 1
17 {} Cl -1.0 {0.695396 0.804559 0.228634} 0 Cl619 1239 0.0 1
17 {} Cl -1.0 {0.755574 0.854868 0.0308812} 0 Cl620 1240 0.0 1
11 {} Na+ 1.0 {0.698839 0.90529 0.0310687} 0 Na621 1241 0.0 1
11 {} Na+ 1.0 {0.749237 0.972849 0.230389} 0 Na622 1242 0.0 1
11 {} Na+ 1.0 {0.701054 0.910069 0.0884641} 0 Na623 1243 0.0 1
11 {} Na+ 1.0 {0.752497 0.975023 0.170574} 0 Na624 1244 0.0 1
11 {} Na+ 1.0 {0.694863 0.915964 0.143955} 7 Na625 1245 0.0 1
11 {} Na+ 1.0 {0.750418 0.971519 0.116027} 7 Na626 1246 0.0 1
11 {} Na+ 1.0 {0.693386 0.92594 0.199064} 0 Na627 1247 0.0 1
11 {} Na+ 1.0 {0.755417 0.96729 0.0617299} 0 Na628 1248 0.0 1
11 {} Na+ 1.0 {0.695375 0.915395 0.258956} 0 Na629 1249 0.0 1
11 {} Na+ 1.0 {0.750628 0.975377 0.00349463} 0 Na630 1250 0.0 1
17 {} Cl -1.0 {0.698354 0.918582 0.00307647} 0 Cl621 1251 0.0 1
17 {} Cl -1.0 {0.754136 0.969372 0.257819} 0 Cl622 1252 0.0 1
17 {} Cl -1.0 {0.699804 0.910456 0.0613331} 0 Cl623 1253 0.0 1
17 {} Cl -1.0 {0.753473 0.974635 0.202423} 0 Cl624 1254 0.0 1
17 {} Cl -1.0 {0.694863 0.915964 0.116027} 7 Cl625 1255 0.0 1
17 {} Cl -1.0 {0.750418 0.971519 0.143955} 7 Cl626 1256 0.0 1
17 {} Cl -1.0 {0.696148 0.918671 0.172882} 0 Cl627 1257 0.0 1
17 {} Cl -1.0 {0.753343 0.968189 0.0900595} 0 Cl628 1258 0.0 1
17 {} Cl -1.0 {0.697758 0.923607 0.229497} 0 Cl629 1259 0.0 1
17 {} Cl -1.0 {0.752761 0.967141 0.0344147} 0 Cl630 1260 0.0 1
11 {} Na+ 1.0 {0.812577 0.0252263 0.0332874} 0 Na631 1261 0.0 1
11 {} Na+ 1.0 {0.858426 0.0844073 0.229165} 0 Na632 1262 0.0 1
11 {} Na+ 1.0 {0.807394 0.0276084 0.0868158} 0 Na633 1263 0.0 1
11 {} Na+ 1.0 {0.866271 0.0864131 0.174398} 0 Na634 1264 0.0 1
11 {} Na+ 1.0 {0.805974 0.0270749 0.143955} 7 Na635 1265 0.0 1
11 {} Na+ 1.0 {0.861529 0.0826305 0.116027} 7 Na636 1266 0.0 1
11 {} Na+ 1.0 {0.811549 0.0334644 0.20279} 0 Na637 1267 0.0 1
11 {} Na+ 1.0 {0.859739 0.083552 0.0580186} 0 Na638 1268 0.0 1
11 {} Na+ 1.0 {0.809105 0.0217175 0.259042} 0 Na639 1269 0.0 1
11 {} Na+ 1.0 {0.867352 0.0803192 0.00338226} 0 Na640 1270 0.0 1
17 {} Cl -1.0 {0.813016 0.0255808 0.00240098} 0 Cl631 1271 0.0 1
17 {} Cl -1.0 {0.860034 0.0802697 0.256698} 0 Cl632 1272 0.0 1
17 {} Cl -1.0 {0.812361 0.0247846 0.0598957} 0 Cl633 1273 0.0 1
17 {} Cl -1.0 {0.863416 0.089882 0.203101} 0 Cl634 1274 0.0 1
17 {} Cl -1.0 {0.805974 0.0270749 0.116027} 7 Cl635 1275 0.0 1
17 {} Cl -1.0 {0.861529 0.0826305 0.143955} 7 Cl636 1276 0.0 1
17 {} Cl -1.0 {0.805497 0.0284573 0.172872} 0 Cl637 1277 0.0 1
17 {} Cl -1.0 {0.861824 0.0837154 0.0861227} 0 Cl638 1278 0.0 1
17 {} Cl -1.0 {0.809252 0.0291387 0.229579} 0 Cl639 1279 0.0 1
17 {} Cl -1.0 {0.868101 0.0793181 0.0308613} 0 Cl640 1280 0.0 1
11 {} Na+ 1.0 {0.808467 0.143192 0.0310933} 0 Na641 1281 0.0 1
11 {} Na+ 1.0 {0.861035 0.192928 0.229057} 0 Na642 1282 0.0 1
11 {} Na+ 1.0 {0.802492 0.13806 0.088258} 0 Na643 1283 0.0 1
11 {} Na+ 1.0 {0.863886 0.194978 0.171104} 0 Na644 1284 0.0 1
11 {} Na+ 1.0 {0.805974 0.138186 0.143955} 7 Na645 1285 0.0 1
11 {} Na+ 1.0 {0.861529 0.193742 0.116027} 7 Na646 1286 0.0 1
11 {} Na+ 1.0 {0.806614 0.140896 0.202333} 0 Na647 1287 0.0 1
11 {} Na+ 1.0 {0.86576 0.188425 0.0608016} 0 Na648 1288 0.0 1
11 {} Na+ 1.0 {0.806444 0.137554 0.258648} 0 Na649 1289 0.0 1
11 {} Na+ 1.0 {0.865753 0.188116 0.99792} 0 Na650 1290 0.0 1
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17 {} Cl -1.0 {0.869366 0.194938 0.260564} 0 Cl642 1292 0.0 1
17 {} Cl -1.0 {0.808972 0.141166 0.0607835} 0 Cl643 1293 0.0 1
17 {} Cl -1.0 {0.863661 0.197578 0.200384} 0 Cl644 1294 0.0 1
17 {} Cl -1.0 {0.805974 0.138186 0.116027} 7 Cl645 1295 0.0 1
17 {} Cl -1.0 {0.861529 0.193742 0.143955} 7 Cl646 1296 0.0 1
17 {} Cl -1.0 {0.809494 0.138815 0.172563} 0 Cl647 1297 0.0 1
17 {} Cl -1.0 {0.857944 0.19069 0.0876355} 0 Cl648 1298 0.0 1
17 {} Cl -1.0 {0.807418 0.142004 0.230876} 0 Cl649 1299 0.0 1
17 {} Cl -1.0 {0.86389 0.191821 0.0311041} 0 Cl650 1300 0.0 1
11 {} Na+ 1.0 {0.802855 0.246982 0.0297275} 0 Na651 1301 0.0 1
11 {} Na+ 1.0 {0.864892 0.308447 0.226912} 0 Na652 1302 0.0 1
11 {} Na+ 1.0 {0.80501 0.247861 0.089101} 0 Na653 1303 0.0 1
11 {} Na+ 1.0 {0.865936 0.306315 0.17122} 0 Na654 1304 0.0 1
11 {} Na+ 1.0 {0.805974 0.249297 0.143955} 7 Na655 1305 0.0 1
11 {} Na+ 1.0 {0.861529 0.304853 0.116027} 7 Na656 1306 0.0 1
11 {} Na+ 1.0 {0.807464 0.252782 0.201088} 0 Na657 1307 0.0 1
11 {} Na+ 1.0 {0.859705 0.298155 0.0589555} 0 Na658 1308 0.0 1
11 {} Na+ 1.0 {0.807934 0.247188 0.26132} 0 Na659 1309 0.0 1
11 {} Na+ 1.0 {0.85508 0.302826 0.00116979} 0 Na660 1310 0.0 1
17 {} Cl -1.0 {0.803906 0.248488 0.99971} 0 Cl651 1311 0.0 1
17 {} Cl -1.0 {0.854794 0.310868 0.259711} 0 Cl652 1312 0.0 1
17 {} Cl -1.0 {0.809424 0.244462 0.0572055} 0 Cl653 1313 0.0 1
17 {} Cl -1.0 {0.865819 0.303381 0.200939} 0 Cl654 1314 0.0 1
17 {} Cl -1.0 {0.805974 0.249297 0.116027} 7 Cl655 1315 0.0 1
17 {} Cl -1.0 {0.861529 0.304853 0.143955} 7 Cl656 1316 0.0 1
17 {} Cl -1.0 {0.810454 0.250151 0.171876} 0 Cl657 1317 0.0 1
17 {} Cl -1.0 {0.861408 0.301724 0.0877141} 0 Cl658 1318 0.0 1
17 {} Cl -1.0 {0.810452 0.24668 0.230875} 0 Cl659 1319 0.0 1
17 {} Cl -1.0 {0.860458 0.304458 0.031232} 0 Cl660 1320 0.0 1
11 {} Na+ 1.0 {0.806033 0.361561 0.03236} 0 Na661 1321 0.0 1
11 {} Na+ 1.0 {0.853599 0.417433 0.228912} 0 Na662 1322 0.0 1
11 {} Na+ 1.0 {0.80862 0.359964 0.0881529} 0 Na663 1323 0.0 1
11 {} Na+ 1.0 {0.857173 0.418321 0.1726} 0 Na664 1324 0.0 1
11 {} Na+ 1.0 {0.805974 0.360408 0.143955} 7 Na665 1325 0.0 1
11 {} Na+ 1.0 {0.861529 0.415964 0.116027} 7 Na666 1326 0.0 1
11 {} Na+ 1.0 {0.803939 0.354655 0.20118} 0 Na667 1327 0.0 1
11 {} Na+ 1.0 {0.864797 0.419384 0.0584573} 0 Na668 1328 0.0 1
11 {} Na+ 1.0 {0.803708 0.361761 0.265391} 0 Na669 1329 0.0 1
11 {} Na+ 1.0 {0.864518 0.410124 0.0032815} 0 Na670 1330 0.0 1
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17 {} Cl -1.0 {0.861129 0.419228 0.259157} 0 Cl662 1332 0.0 1
17 {} Cl -1.0 {0.813203 0.360853 0.059294} 0 Cl663 1333 0.0 1
17 {} Cl -1.0 {0.859126 0.414249 0.200232} 0 Cl664 1334 0.0 1
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17 {} Cl -1.0 {0.861529 0.415964 0.143955} 7 Cl666 1336 0.0 1
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17 {} Cl -1.0 {0.807948 0.361046 0.227748} 0 Cl669 1339 0.0 1
17 {} Cl -1.0 {0.86403 0.413769 0.0297675} 0 Cl670 1340 0.0 1
11 {} Na+ 1.0 {0.802467 0.475337 0.0325872} 0 Na671 1341 0.0 1
11 {} Na+ 1.0 {0.864623 0.534134 0.2308} 0 Na672 1342 0.0 1
11 {} Na+ 1.0 {0.807654 0.473879 0.0888574} 0 Na673 1343 0.0 1
11 {} Na+ 1.0 {0.858147 0.527287 0.172846} 0 Na674 1344 0.0 1
11 {} Na+ 1.0 {0.805974 0.471519 0.143955} 7 Na675 1345 0.0 1
11 {} Na+ 1.0 {0.861529 0.527075 0.116027} 7 Na676 1346 0.0 1
11 {} Na+ 1.0 {0.801126 0.472328 0.20183} 0 Na677 1347 0.0 1
11 {} Na+ 1.0 {0.863194 0.52699 0.0592388} 0 Na678 1348 0.0 1
11 {} Na+ 1.0 {0.803589 0.468858 0.26258} 0 Na679 1349 0.0 1
11 {} Na+ 1.0 {0.867194 0.523492 0.000666754} 0 Na680 1350 0.0 1
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17 {} Cl -1.0 {0.861554 0.526752 0.26201} 0 Cl672 1352 0.0 1
17 {} Cl -1.0 {0.804567 0.47111 0.0619396} 0 Cl673 1353 0.0 1
17 {} Cl -1.0 {0.863095 0.524937 0.201492} 0 Cl674 1354 0.0 1
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17 {} Cl -1.0 {0.858474 0.525445 0.032968} 0 Cl680 1360 0.0 1
11 {} Na+ 1.0 {0.810549 0.585842 0.0342489} 0 Na681 1361 0.0 1
11 {} Na+ 1.0 {0.864477 0.636315 0.231459} 0 Na682 1362 0.0 1
11 {} Na+ 1.0 {0.807475 0.58143 0.0885225} 0 Na683 1363 0.0 1
11 {} Na+ 1.0 {0.862751 0.637108 0.170964} 0 Na684 1364 0.0 1
11 {} Na+ 1.0 {0.805974 0.58263 0.143955} 7 Na685 1365 0.0 1
11 {} Na+ 1.0 {0.861529 0.638186 0.116027} 7 Na686 1366 0.0 1
11 {} Na+ 1.0 {0.809764 0.581593 0.202514} 0 Na687 1367 0.0 1
11 {} Na+ 1.0 {0.867233 0.635465 0.0606922} 0 Na688 1368 0.0 1
11 {} Na+ 1.0 {0.80451 0.581277 0.262699} 0 Na689 1369 0.0 1
11 {} Na+ 1.0 {0.857669 0.638217 0.999206} 0 Na690 1370 0.0 1
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17 {} Cl -1.0 {0.865351 0.637665 0.262598} 0 Cl682 1372 0.0 1
17 {} Cl -1.0 {0.810404 0.578488 0.0608008} 0 Cl683 1373 0.0 1
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17 {} Cl -1.0 {0.863097 0.638121 0.0320549} 0 Cl690 1380 0.0 1
11 {} Na+ 1.0 {0.802796 0.690298 0.0308066} 0 Na691 1381 0.0 1
11 {} Na+ 1.0 {0.864309 0.753319 0.230058} 0 Na692 1382 0.0 1
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11 {} Na+ 1.0 {0.858606 0.745923 0.170943} 0 Na694 1384 0.0 1
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11 {} Na+ 1.0 {0.861529 0.749297 0.116027} 7 Na696 1386 0.0 1
11 {} Na+ 1.0 {0.81254 0.69161 0.200942} 0 Na697 1387 0.0 1
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11 {} Na+ 1.0 {0.814364 0.691467 0.258724} 0 Na699 1389 0.0 1
11 {} Na+ 1.0 {0.856544 0.745014 0.997813} 0 Na700 1390 0.0 1
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11 {} Na+ 1.0 {0.866064 0.86137 0.173427} 0 Na704 1404 0.0 1
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11 {} Na+ 1.0 {0.861529 0.860408 0.116027} 7 Na706 1406 0.0 1
11 {} Na+ 1.0 {0.80822 0.804022 0.202667} 0 Na707 1407 0.0 1
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11 {} Na+ 1.0 {0.809045 0.809646 0.254456} 0 Na709 1409 0.0 1
11 {} Na+ 1.0 {0.863199 0.860629 0.00162332} 0 Na710 1410 0.0 1
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17 {} Cl -1.0 {0.866273 0.860795 0.0288157} 0 Cl710 1420 0.0 1
11 {} Na+ 1.0 {0.80494 0.913122 0.0324295} 0 Na711 1421 0.0 1
11 {} Na+ 1.0 {0.868895 0.973157 0.228814} 0 Na712 1422 0.0 1
11 {} Na+ 1.0 {0.810254 0.91136 0.0880042} 0 Na713 1423 0.0 1
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11 {} Na+ 1.0 {0.810509 0.917426 0.20038} 0 Na717 1427 0.0 1
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11 {} Na+ 1.0 {0.811582 0.916467 0.257258} 0 Na719 1429 0.0 1
11 {} Na+ 1.0 {0.863632 0.964822 0.00386152} 0 Na720 1430 0.0 1
17 {} Cl -1.0 {0.81021 0.916167 0.00324915} 0 Cl711 1431 0.0 1
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17 {} Cl -1.0 {0.865633 0.966091 0.0314552} 0 Cl720 1440 0.0 1
11 {} Na+ 1.0 {0.92297 0.0261393 0.0306476} 0 Na721 1441 0.0 1
11 {} Na+ 1.0 {0.969402 0.0844523 0.227534} 0 Na722 1442 0.0 1
11 {} Na+ 1.0 {0.919906 0.0302376 0.0849539} 0 Na723 1443 0.0 1
11 {} Na+ 1.0 {0.972819 0.0847544 0.172338} 0 Na724 1444 0.0 1
11 {} Na+ 1.0 {0.917085 0.0270749 0.143955} 7 Na725 1445 0.0 1
11 {} Na+ 1.0 {0.972641 0.0826305 0.116027} 7 Na726 1446 0.0 1
11 {} Na+ 1.0 {0.921872 0.0258401 0.201382} 0 Na727 1447 0.0 1
11 {} Na+ 1.0 {0.979091 0.0828724 0.0572453} 0 Na728 1448 0.0 1
11 {} Na+ 1.0 {0.915483 0.0256413 0.259143} 0 Na729 1449 0.0 1
11 {} Na+ 1.0 {0.970756 0.0819923 0.000722196} 0 Na730 1450 0.0 1
17 {} Cl -1.0 {0.921647 0.0228622 0.00115843} 0 Cl721 1451 0.0 1
17 {} Cl -1.0 {0.971184 0.0807402 0.258359} 0 Cl722 1452 0.0 1
17 {} Cl -1.0 {0.928223 0.0272582 0.0597477} 0 Cl723 1453 0.0 1
17 {} Cl -1.0 {0.976878 0.0840877 0.201833} 0 Cl724 1454 0.0 1
17 {} Cl -1.0 {0.917085 0.0270749 0.116027} 7 Cl725 1455 0.0 1
17 {} Cl -1.0 {0.972641 0.0826305 0.143955} 7 Cl726 1456 0.0 1
17 {} Cl -1.0 {0.919554 0.0298931 0.172733} 0 Cl727 1457 0.0 1
17 {} Cl -1.0 {0.978638 0.086227 0.0858932} 0 Cl728 1458 0.0 1
17 {} Cl -1.0 {0.924924 0.0262964 0.226879} 0 Cl729 1459 0.0 1
17 {} Cl -1.0 {0.971497 0.0750179 0.0303371} 0 Cl730 1460 0.0 1
11 {} Na+ 1.0 {0.915551 0.141584 0.0311184} 0 Na731 1461 0.0 1
11 {} Na+ 1.0 {0.970802 0.197875 0.231943} 0 Na732 1462 0.0 1
11 {} Na+ 1.0 {0.916808 0.139055 0.086412} 0 Na733 1463 0.0 1
11 {} Na+ 1.0 {0.975856 0.195696 0.173651} 0 Na734 1464 0.0 1
11 {} Na+ 1.0 {0.917085 0.138186 0.143955} 7 Na735 1465 0.0 1
11 {} Na+ 1.0 {0.972641 0.193742 0.116027} 7 Na736 1466 0.0 1
11 {} Na+ 1.0 {0.920246 0.143418 0.201728} 0 Na737 1467 0.0 1
11 {} Na+ 1.0 {0.975911 0.194419 0.0616064} 0 Na738 1468 0.0 1
11 {} Na+ 1.0 {0.914095 0.137232 0.254216} 0 Na739 1469 0.0 1
11 {} Na+ 1.0 {0.974845 0.191179 0.998337} 0 Na740 1470 0.0 1
17 {} Cl -1.0 {0.920649 0.13605 0.00282017} 0 Cl731 1471 0.0 1
17 {} Cl -1.0 {0.973037 0.193259 0.26205} 0 Cl732 1472 0.0 1
17 {} Cl -1.0 {0.920135 0.134837 0.0588084} 0 Cl733 1473 0.0 1
17 {} Cl -1.0 {0.976117 0.194287 0.20163} 0 Cl734 1474 0.0 1
17 {} Cl -1.0 {0.917085 0.138186 0.116027} 7 Cl735 1475 0.0 1
17 {} Cl -1.0 {0.972641 0.193742 0.143955} 7 Cl736 1476 0.0 1
17 {} Cl -1.0 {0.915798 0.14137 0.174001} 0 Cl737 1477 0.0 1
17 {} Cl -1.0 {0.974452 0.197993 0.0892911} 0 Cl738 1478 0.0 1
17 {} Cl -1.0 {0.917151 0.140154 0.229031} 0 Cl739 1479 0.0 1
17 {} Cl -1.0 {0.973342 0.187931 0.0288031} 0 Cl740 1480 0.0 1
11 {} Na+ 1.0 {0.917831 0.251571 0.0299514} 0 Na741 1481 0.0 1
11 {} Na+ 1.0 {0.973427 0.303778 0.230339} 0 Na742 1482 0.0 1
11 {} Na+ 1.0 {0.919493 0.24869 0.088528} 0 Na743 1483 0.0 1
11 {} Na+ 1.0 {0.968712 0.305594 0.172574} 0 Na744 1484 0.0 1
11 {} Na+ 1.0 {0.917085 0.249297 0.143955} 7 Na745 1485 0.0 1
11 {} Na+ 1.0 {0.972641 0.304853 0.116027} 7 Na746 1486 0.0 1
11 {} Na+ 1.0 {0.917153 0.246836 0.201682} 0 Na747 1487 0.0 1
11 {} Na+ 1.0 {0.971849 0.303332 0.0586713} 0 Na748 1488 0.0 1
11 {} Na+ 1.0 {0.914454 0.262116 0.263322} 0 Na749 1489 0.0 1
11 {} Na+ 1.0 {0.975979 0.300943 0.00192207} 0 Na750 1490 0.0 1
17 {} Cl -1.0 {0.916695 0.243561 0.00133779} 0 Cl741 1491 0.0 1
17 {} Cl -1.0 {0.975143 0.305939 0.26021} 0 Cl742 1492 0.0 1
17 {} Cl -1.0 {0.916325 0.240478 0.0588287} 0 Cl743 1493 0.0 1
17 {} Cl -1.0 {0.971943 0.304498 0.201218} 0 Cl744 1494 0.0 1
17 {} Cl -1.0 {0.917085 0.249297 0.116027} 7 Cl745 1495 0.0 1
17 {} Cl -1.0 {0.972641 0.304853 0.143955} 7 Cl746 1496 0.0 1
17 {} Cl -1.0 {0.917042 0.250333 0.172821} 0 Cl747 1497 0.0 1
17 {} Cl -1.0 {0.972127 0.307053 0.0883684} 0 Cl748 1498 0.0 1
17 {} Cl -1.0 {0.919594 0.249075 0.228735} 0 Cl749 1499 0.0 1
17 {} Cl -1.0 {0.976821 0.301667 0.029441} 0 Cl750 1500 0.0 1
11 {} Na+ 1.0 {0.912035 0.357506 0.0294725} 0 Na751 1501 0.0 1
11 {} Na+ 1.0 {0.970235 0.424844 0.228195} 0 Na752 1502 0.0 1
11 {} Na+ 1.0 {0.914041 0.36711 0.0877132} 0 Na753 1503 0.0 1
11 {} Na+ 1.0 {0.967152 0.420959 0.172353} 0 Na754 1504 0.0 1
11 {} Na+ 1.0 {0.917085 0.360408 0.143955} 7 Na755 1505 0.0 1
11 {} Na+ 1.0 {0.972641 0.415964 0.116027} 7 Na756 1506 0.0 1
11 {} Na+ 1.0 {0.922813 0.362141 0.200859} 0 Na757 1507 0.0 1
11 {} Na+ 1.0 {0.977059 0.41204 0.0592647} 0 Na758 1508 0.0 1
11 {} Na+ 1.0 {0.920044 0.368113 0.257829} 0 Na759 1509 0.0 1
11 {} Na+ 1.0 {0.970374 0.415099 0.0015629} 0 Na760 1510 0.0 1
17 {} Cl -1.0 {0.920542 0.356832 0.0022277} 0 Cl751 1511 0.0 1
17 {} Cl -1.0 {0.974145 0.421557 0.261751} 0 Cl752 1512 0.0 1
17 {} Cl -1.0 {0.919191 0.362143 0.0593987} 0 Cl753 1513 0.0 1
17 {} Cl -1.0 {0.971207 0.420413 0.198534} 0 Cl754 1514 0.0 1
17 {} Cl -1.0 {0.917085 0.360408 0.116027} 7 Cl755 1515 0.0 1
17 {} Cl -1.0 {0.972641 0.415964 0.143955} 7 Cl756 1516 0.0 1
17 {} Cl -1.0 {0.918394 0.361109 0.172526} 0 Cl757 1517 0.0 1
17 {} Cl -1.0 {0.967488 0.413931 0.0873484} 0 Cl758 1518 0.0 1
17 {} Cl -1.0 {0.920772 0.358996 0.227629} 0 Cl759 1519 0.0 1
17 {} Cl -1.0 {0.975963 0.409621 0.0298657} 0 Cl760 1520 0.0 1
11 {} Na+ 1.0 {0.91703 0.464801 0.0307777} 0 Na761 1521 0.0 1
11 {} Na+ 1.0 {0.970392 0.533168 0.227701} 0 Na762 1522 0.0 1
11 {} Na+ 1.0 {0.919325 0.47315 0.0869073} 0 Na763 1523 0.0 1
11 {} Na+ 1.0 {0.976538 0.527875 0.173135} 0 Na764 1524 0.0 1
11 {} Na+ 1.0 {0.917085 0.471519 0.143955} 7 Na765 1525 0.0 1
11 {} Na+ 1.0 {0.972641 0.527075 0.116027} 7 Na766 1526 0.0 1
11 {} Na+ 1.0 {0.913169 0.465849 0.202953} 0 Na767 1527 0.0 1
11 {} Na+ 1.0 {0.97461 0.529225 0.058027} 0 Na768 1528 0.0 1
11 {} Na+ 1.0 {0.918884 0.476509 0.2588} 0 Na769 1529 0.0 1
11 {} Na+ 1.0 {0.972557 0.521229 0.00399178} 0 Na770 1530 0.0 1
17 {} Cl -1.0 {0.915985 0.473289 0.00481894} 0 Cl761 1531 0.0 1
17 {} Cl -1.0 {0.977271 0.526862 0.25684} 0 Cl762 1532 0.0 1
17 {} Cl -1.0 {0.913843 0.472891 0.058457} 0 Cl763 1533 0.0 1
17 {} Cl -1.0 {0.971807 0.52612 0.200414} 0 Cl764 1534 0.0 1
17 {} Cl -1.0 {0.917085 0.471519 0.116027} 7 Cl765 1535 0.0 1
17 {} Cl -1.0 {0.972641 0.527075 0.143955} 7 Cl766 1536 0.0 1
17 {} Cl -1.0 {0.911407 0.471172 0.170591} 0 Cl767 1537 0.0 1
17 {} Cl -1.0 {0.970639 0.524195 0.0843122} 0 Cl768 1538 0.0 1
17 {} Cl -1.0 {0.912995 0.472745 0.230477} 0 Cl769 1539 0.0 1
17 {} Cl -1.0 {0.971854 0.519873 0.031777} 0 Cl770 1540 0.0 1
11 {} Na+ 1.0 {0.917071 0.579708 0.0308217} 0 Na771 1541 0.0 1
11 {} Na+ 1.0 {0.973661 0.640282 0.23016} 0 Na772 1542 0.0 1
11 {} Na+ 1.0 {0.917624 0.587773 0.087383} 0 Na773 1543 0.0 1
11 {} Na+ 1.0 {0.972848 0.636807 0.171479} 0 Na774 1544 0.0 1
11 {} Na+ 1.0 {0.917085 0.58263 0.143955} 7 Na775 1545 0.0 1
11 {} Na+ 1.0 {0.972641 0.638186 0.116027} 7 Na776 1546 0.0 1
11 {} Na+ 1.0 {0.918033 0.581936 0.200789} 0 Na777 1547 0.0 1
11 {} Na+ 1.0 {0.971732 0.641109 0.0581266} 0 Na778 1548 0.0 1
11 {} Na+ 1.0 {0.923527 0.590973 0.261478} 0 Na779 1549 0.0 1
11 {} Na+ 1.0 {0.970565 0.637829 0.996329} 0 Na780 1550 0.0 1
17 {} Cl -1.0 {0.917439 0.583332 0.00206166} 0 Cl771 1551 0.0 1
17 {} Cl -1.0 {0.974982 0.642821 0.257986} 0 Cl772 1552 0.0 1
17 {} Cl -1.0 {0.918778 0.582123 0.0587967} 0 Cl773 1553 0.0 1
17 {} Cl -1.0 {0.97604 0.637336 0.201158} 0 Cl774 1554 0.0 1
17 {} Cl -1.0 {0.917085 0.58263 0.116027} 7 Cl775 1555 0.0 1
17 {} Cl -1.0 {0.972641 0.638186 0.143955} 7 Cl776 1556 0.0 1
17 {} Cl -1.0 {0.915095 0.585082 0.173066} 0 Cl777 1557 0.0 1
17 {} Cl -1.0 {0.975602 0.641198 0.0884145} 0 Cl778 1558 0.0 1
17 {} Cl -1.0 {0.918897 0.587266 0.229911} 0 Cl779 1559 0.0 1
17 {} Cl -1.0 {0.970578 0.637749 0.0328218} 0 Cl780 1560 0.0 1
11 {} Na+ 1.0 {0.917221 0.693021 0.0331193} 0 Na781 1561 0.0 1
11 {} Na+ 1.0 {0.978713 0.747602 0.228104} 0 Na782 1562 0.0 1
11 {} Na+ 1.0 {0.919057 0.692841 0.0880596} 0 Na783 1563 0.0 1
11 {} Na+ 1.0 {0.972425 0.747614 0.171941} 0 Na784 1564 0.0 1
11 {} Na+ 1.0 {0.917085 0.693742 0.143955} 7 Na785 1565 0.0 1
11 {} Na+ 1.0 {0.972641 0.749297 0.116027} 7 Na786 1566 0.0 1
11 {} Na+ 1.0 {0.922669 0.696036 0.201976} 0 Na787 1567 0.0 1
11 {} Na+ 1.0 {0.974129 0.748525 0.0574485} 0 Na788 1568 0.0 1
11 {} Na+ 1.0 {0.920835 0.70381 0.259136} 0 Na789 1569 0.0 1
11 {} Na+ 1.0 {0.970393 0.741606 0.00320616} 0 Na790 1570 0.0 1
17 {} Cl -1.0 {0.917977 0.697743 0.997964} 0 Cl781 1571 0.0 1
17 {} Cl -1.0 {0.977326 0.753126 0.25463} 0 Cl782 1572 0.0 1
17 {} Cl -1.0 {0.91855 0.694433 0.0586531} 0 Cl783 1573 0.0 1
17 {} Cl -1.0 {0.975469 0.753581 0.200609} 0 Cl784 1574 0.0 1
17 {} Cl -1.0 {0.917085 0.693742 0.116027} 7 Cl785 1575 0.0 1
17 {} Cl -1.0 {0.972641 0.749297 0.143955} 7 Cl786 1576 0.0 1
17 {} Cl -1.0 {0.919117 0.692163 0.174957} 0 Cl787 1577 0.0 1
17 {} Cl -1.0 {0.975406 0.74944 0.0868494} 0 Cl788 1578 0.0 1
17 {} Cl -1.0 {0.92337 0.694023 0.230018} 0 Cl789 1579 0.0 1
17 {} Cl -1.0 {0.973611 0.743363 0.030131} 0 Cl790 1580 0.0 1
11 {} Na+ 1.0 {0.920197 0.804105 0.0306501} 0 Na791 1581 0.0 1
11 {} Na+ 1.0 {0.975382 0.861152 0.229198} 0 Na792 1582 0.0 1
11 {} Na+ 1.0 {0.922316 0.805741 0.0905602} 0 Na793 1583 0.0 1
11 {} Na+ 1.0 {0.97788 0.855201 0.173093} 0 Na794 1584 0.0 1
11 {} Na+ 1.0 {0.917085 0.804853 0.143955} 7 Na795 1585 0.0 1
11 {} Na+ 1.0 {0.972641 0.860408 0.116027} 7 Na796 1586 0.0 1
11 {} Na+ 1.0 {0.917204 0.803385 0.200618} 0 Na797 1587 0.0 1
11 {} Na+ 1.0 {0.975399 0.856555 0.0605936} 0 Na798 1588 0.0 1
11 {} Na+ 1.0 {0.921473 0.804486 0.258095} 0 Na799 1589 0.0 1
11 {} Na+ 1.0 {0.975871 0.86439 0.000890473} 0 Na800 1590 0.0 1
17 {} Cl -1.0 {0.926853 0.801977 0.994733} 0 Cl791 1591 0.0 1
17 {} Cl -1.0 {0.979649 0.857356 0.259101} 0 Cl792 1592 0.0 1
17 {} Cl -1.0 {0.915617 0.804262 0.0572879} 0 Cl793 1593 0.0 1
17 {} Cl -1.0 {0.982358 0.865134 0.200488} 0 Cl794 1594 0.0 1
17 {} Cl -1.0 {0.917085 0.804853 0.116027} 7 Cl795 1595 0.0 1
17 {} Cl -1.0 {0.972641 0.860408 0.143955} 7 Cl796 1596 0.0 1
17 {} Cl -1.0 {0.91631 0.80213 0.172245} 0 Cl797 1597 0.0 1
17 {} Cl -1.0 {0.975611 0.859704 0.0872556} 0 Cl798 1598 0.0 1
17 {} Cl -1.0 {0.917698 0.80513 0.229709} 0 Cl799 1599 0.0 1
17 {} Cl -1.0 {0.975154 0.86021 0.0302759} 0 Cl800 1600 0.0 1
11 {} Na+ 1.0 {0.923977 0.915436 0.0297295} 0 Na801 1601 0.0 1
11 {} Na+ 1.0 {0.976576 0.974728 0.228447} 0 Na802 1602 0.0 1
11 {} Na+ 1.0 {0.917377 0.913004 0.0871128} 0 Na803 1603 0.0 1
11 {} Na+ 1.0 {0.975209 0.971499 0.172516} 0 Na804 1604 0.0 1
11 {} Na+ 1.0 {0.917085 0.915964 0.143955} 7 Na805 1605 0.0 1
11 {} Na+ 1.0 {0.972641 0.971519 0.116027} 7 Na806 1606 0.0 1
11 {} Na+ 1.0 {0.922281 0.916329 0.203} 0 Na807 1607 0.0 1
11 {} Na+ 1.0 {0.976238 0.971787 0.0571964} 0 Na808 1608 0.0 1
11 {} Na+ 1.0 {0.920971 0.909355 0.259193} 0 Na809 1609 0.0 1
11 {} Na+ 1.0 {0.983132 0.973382 0.00167934} 0 Na810 1610 0.0 1
17 {} Cl -1.0 {0.921191 0.91287 0.00325218} 0 Cl801 1611 0.0 1
17 {} Cl -1.0 {0.976577 0.96783 0.261465} 0 Cl802 1612 0.0 1
17 {} Cl -1.0 {0.922372 0.912879 0.0581332} 0 Cl803 1613 0.0 1
17 {} Cl -1.0 {0.977543 0.970417 0.200947} 0 Cl804 1614 0.0 1
17 {} Cl -1.0 {0.917085 0.915964 0.116027} 7 Cl805 1615 0.0 1
17 {} Cl -1.0 {0.972641 0.971519 0.143955} 7 Cl806 1616 0.0 1
17 {} Cl -1.0 {0.919625 0.917571 0.173114} 0 Cl807 1617 0.0 1
17 {} Cl -1.0 {0.972347 0.968662 0.0876963} 0 Cl808 1618 0.0 1
17 {} Cl -1.0 {0.924279 0.914385 0.229734} 0 Cl809 1619 0.0 1
17 {} Cl -1.0 {0.97648 0.970643 0.0299462} 0 Cl810 1620 0.0 1
3 {} Li+ 1.0 {0.643472 0.771823 0.806257} 0 Li1 1621 0.0 1
3 {} Li+ 1.0 {0.510725 0.952371 0.885161} 0 Li2 1622 0.0 1
3 {} Li+ 1.0 {0.926257 0.769132 0.426005} 0 Li3 1623 0.0 1
3 {} Li+ 1.0 {0.830966 0.868423 0.703379} 0 Li4 1624 0.0 1
3 {} Li+ 1.0 {0.39741 0.987625 0.304442} 0 Li5 1625 0.0 1
3 {} Li+ 1.0 {0.796104 0.471059 0.344519} 0 Li6 1626 0.0 1
3 {} Li+ 1.0 {0.959263 0.48844 0.930532} 0 Li7 1627 0.0 1
3 {} Li+ 1.0 {0.472057 0.295882 0.866563} 0 Li8 1628 0.0 1
3 {} Li+ 1.0 {0.38688 0.411182 0.340077} 0 Li9 1629 0.0 1
3 {} Li+ 1.0 {0.680494 0.538429 0.49184} 0 Li10 1630 0.0 1
11 {} Na+ 1.0 {0.637652 0.30112 0.285516} 0 Na1 1631 0.0 1
11 {} Na+ 1.0 {0.410181 0.0739165 0.53643} 0 Na2 1632 0.0 1
19 {} K+ 1.0 {0.0955832 0.921796 0.921267} 0 K1 1633 0.0 1
19 {} K+ 1.0 {0.581945 0.0238084 0.478665} 0 K2 1634 0.0 1
19 {} K+ 1.0 {0.396945 0.503224 0.397379} 0 K3 1635 0.0 1
19 {} K+ 1.0 {0.0851567 0.356834 0.637403} 0 K4 1636 0.0 1
19 {} K+ 1.0 {0.720995 0.603504 0.569391} 0 K5 1637 0.0 1
19 {} K+ 1.0 {0.579481 0.66361 0.754818} 0 K6 1638 0.0 1
19 {} K+ 1.0 {0.394868 0.068834 0.617103} 0 K7 1639 0.0 1
19 {} K+ 1.0 {0.786137 0.819116 0.783065} 0 K8 1640 0.0 1
19 {} K+ 1.0 {0.638476 0.0153144 0.645324} 0 K9 1641 0.0 1
19 {} K+ 1.0 {0.0789428 0.463283 0.724808} 0 K10 1642 0.0 1
19 {} K+ 1.0 {0.217484 0.345282 0.340837} 0 K11 1643 0.0 1
19 {} K+ 1.0 {0.173655 0.0259953 0.304367} 0 K12 1644 0.0 1
19 {} K+ 1.0 {0.188796 0.215422 0.291085} 0 K13 1645 0.0 1
19 {} K+ 1.0 {0.554217 0.275622 0.88779} 0 K14 1646 0.0 1
19 {} K+ 1.0 {0.96134 0.411124 0.783807} 0 K15 1647 0.0 1
19 {} K+ 1.0 {0.406624 0.83347 0.541654} 0 K16 1648 0.0 1
19 {} K+ 1.0 {0.80346 0.110977 0.347484} 0 K17 1649 0.0 1
19 {} K+ 1.0 {0.478247 0.57015 0.969856} 0 K18 1650 0.0 1
19 {} K+ 1.0 {0.245002 0.0897926 0.359024} 0 K19 1651 0.0 1
19 {} K+ 1.0 {0.751213 0.382443 0.377614} 0 K20 1652 0.0 1
19 {} K+ 1.0 {0.758452 0.531716 0.900979} 0 K21 1653 0.0 1
19 {} K+ 1.0 {0.858296 0.760372 0.29095} 0 K22 1654 0.0 1
19 {} K+ 1.0 {0.203148 0.112403 0.722194} 0 K23 1655 0.0 1
19 {} K+ 1.0 {0.856669 0.0614826 0.526694} 0 K24 1656 0.0 1
19 {} K+ 1.0 {0.523173 0.498013 0.312519} 0 K25 1657 0.0 1
19 {} K+ 1.0 {0.00462514 0.347373 0.383802} 0 K26 1658 0.0 1
19 {} K+ 1.0 {0.280126 0.416284 0.438553} 0 K27 1659 0.0 1
19 {} K+ 1.0 {0.223061 0.710808 0.402259} 0 K28 1660 0.0 1
19 {} K+ 1.0 {0.492569 0.361759 0.968673} 0 K29 1661 0.0 1
19 {} K+ 1.0 {0.574935 0.632413 0.515258} 0 K30 1662 0.0 1
19 {} K+ 1.0 {0.263161 0.099988 0.778378} 0 K31 1663 0.0 1
12 {} mg+ 2.0001000000000002 {0.345406 0.240269 0.892772} 0 Mg1 1664 0.0 1
12 {} mg+ 2.0001000000000002 {0.529441 0.409929 0.408384} 0 Mg2 1665 0.0 1
12 {} mg+ 2.0001000000000002 {0.56847 0.932962 0.619063} 0 Mg3 1666 0.0 1
12 {} mg+ 2.0001000000000002 {0.143559 0.281782 0.699613} 0 Mg4 1667 0.0 1
12 {} mg+ 2.0001000000000002 {0.351868 0.879957 0.88099} 0 Mg5 1668 0.0 1
12 {} mg+ 2.0001000000000002 {0.403415 0.561344 0.848673} 0 Mg6 1669 0.0 1
12 {} mg+ 2.0001000000000002 {0.490971 0.355221 0.786046} 0 Mg7 1670 0.0 1
12 {} mg+ 2.0001000000000002 {0.235333 0.145077 0.665334} 0 Mg8 1671 0.0 1
12 {} mg+ 2.0001000000000002 {0.372398 0.333816 0.385495} 0 Mg9 1672 0.0 1
12 {} mg+ 2.0001000000000002 {0.00111074 0.927553 0.451282} 0 Mg10 1673 0.0 1
12 {} mg+ 2.0001000000000002 {0.734256 0.764709 0.434342} 0 Mg11 1674 0.0 1
12 {} mg+ 2.0001000000000002 {0.0192169 0.927486 0.535602} 0 Mg12 1675 0.0 1
12 {} mg+ 2.0001000000000002 {0.997713 0.250451 0.845178} 0 Mg13 1676 0.0 1
12 {} mg+ 2.0001000000000002 {0.218004 0.375585 0.387743} 0 Mg14 1677 0.0 1
12 {} mg+ 2.0001000000000002 {0.418593 0.286679 0.436142} 0 Mg15 1678 0.0 1
12 {} mg+ 2.0001000000000002 {0.83809 0.605953 0.501556} 0 Mg16 1679 0.0 1
12 {} mg+ 2.0001000000000002 {0.281764 0.284498 0.453513} 0 Mg17 1680 0.0 1
12 {} mg+ 2.0001000000000002 {0.523621 0.990475 0.654128} 0 Mg18 1681 0.0 1
12 {} mg+ 2.0001000000000002 {0.0364051 0.607241 0.806195} 0 Mg19 1682 0.0 1
12 {} mg+ 2.0001000000000002 {0.996415 0.807041 0.779498} 0 Mg20 1683 0.0 1
12 {} mg+ 2.0001000000000002 {0.262489 0.930091 0.636462} 0 Mg21 1684 0.0 1
12 {} mg+ 2.0001000000000002 {0.655534 0.384919 0.50777} 0 Mg22 1685 0.0 1
12 {} mg+ 2.0001000000000002 {0.552538 0.126378 0.893629} 0 Mg23 1686 0.0 1
12 {} mg+ 2.0001000000000002 {0.987388 0.716061 0.885207} 0 Mg24 1687 0.0 1
12 {} mg+ 2.0001000000000002 {0.620087 0.618447 0.3629} 0 Mg25 1688 0.0 1
12 {} mg+ 2.0001000000000002 {0.322465 0.078616 0.708589} 0 Mg26 1689 0.0 1
12 {} mg+ 2.0001000000000002 {0.772989 0.640256 0.692918} 0 Mg27 1690 0.0 1
12 {} mg+ 2.0001000000000002 {0.221172 0.960119 0.735596} 0 Mg28 1691 0.0 1
12 {} mg+ 2.0001000000000002 {0.443185 0.813883 0.34151} 0 Mg29 1692 0.0 1
12 {} mg+ 2.0001000000000002 {0.00376684 0.0792817 0.736343} 0 Mg30 1693 0.0 1
12 {} mg+ 2.0001000000000002 {0.877999 0.827954 0.473384} 0 Mg31 1694 0.0 1
12 {} mg+ 2.0001000000000002 {0.307038 0.651752 0.331217} 0 Mg32 1695 0.0 1
12 {} mg+ 2.0001000000000002 {0.733363 0.15735 0.511583} 0 Mg33 1696 0.0 1
12 {} mg+ 2.0001000000000002 {0.841645 0.857392 0.918162} 0 Mg34 1697 0.0 1
12 {} mg+ 2.0001000000000002 {0.371329 0.370826 0.968366} 0 Mg35 1698 0.0 1
12 {} mg+ 2.0001000000000002 {0.687635 0.298348 0.953281} 0 Mg36 1699 0.0 1
12 {} mg+ 2.0001000000000002 {0.693793 0.281142 0.547705} 0 Mg37 1700 0.0 1
12 {} mg+ 2.0001000000000002 {0.255182 0.835592 0.484896} 0 Mg38 1701 0.0 1
12 {} mg+ 2.0001000000000002 {0.545844 0.0620136 0.763361} 0 Mg39 1702 0.0 1
12 {} mg+ 2.0001000000000002 {0.612065 0.0345345 0.38153} 0 Mg40 1703 0.0 1
12 {} mg+ 2.0001000000000002 {0.640212 0.725225 0.390153} 0 Mg41 1704 0.0 1
12 {} mg+ 2.0001000000000002 {0.499981 0.313119 0.728394} 0 Mg42 1705 0.0 1
12 {} mg+ 2.0001000000000002 {0.855802 0.577686 0.304193} 0 Mg43 1706 0.0 1
12 {} mg+ 2.0001000000000002 {0.589437 0.0546151 0.541839} 0 Mg44 1707 0.0 1
12 {} mg+ 2.0001000000000002 {0.138361 0.432963 0.355917} 0 Mg45 1708 0.0 1
12 {} mg+ 2.0001000000000002 {0.617669 0.884969 0.682696} 0 Mg46 1709 0.0 1
12 {} mg+ 2.0001000000000002 {0.81587 0.679173 0.923945} 0 Mg47 1710 0.0 1
12 {} mg+ 2.0001000000000002 {0.461937 0.84843 0.96141} 0 Mg48 1711 0.0 1
12 {} mg+ 2.0001000000000002 {0.513687 0.491242 0.74115} 0 Mg49 1712 0.0 1
12 {} mg+ 2.0001000000000002 {0.833769 0.200359 0.403019} 0 Mg50 1713 0.0 1
12 {} mg+ 2.0001000000000002 {0.473403 0.348596 0.56154} 0 Mg51 1714 0.0 1
12 {} mg+ 2.0001000000000002 {0.585535 0.896279 0.795079} 0 Mg52 1715 0.0 1
12 {} mg+ 2.0001000000000002 {0.0714844 0.355173 0.33038} 0 Mg53 1716 0.0 1
12 {} mg+ 2.0001000000000002 {0.43071 0.614979 0.676072} 0 Mg54 1717 0.0 1
12 {} mg+ 2.0001000000000002 {0.614175 0.348405 0.770229} 0 Mg55 1718 0.0 1
12 {} mg+ 2.0001000000000002 {0.530017 0.747339 0.290594} 0 Mg56 1719 0.0 1
12 {} mg+ 2.0001000000000002 {0.208788 0.0727693 0.507674} 0 Mg57 1720 0.0 1
12 {} mg+ 2.0001000000000002 {0.879675 0.791468 0.569839} 0 Mg58 1721 0.0 1
12 {} mg+ 2.0001000000000002 {0.809191 0.403183 0.818783} 0 Mg59 1722 0.0 1
12 {} mg+ 2.0001000000000002 {0.0869078 0.653608 0.59655} 0 Mg60 1723 0.0 1
12 {} mg+ 2.0001000000000002 {0.315347 0.218929 0.506975} 0 Mg61 1724 0.0 1
12 {} mg+ 2.0001000000000002 {0.276532 0.799148 0.320668} 0 Mg62 1725 0.0 1
12 {} mg+ 2.0001000000000002 {0.747673 0.604435 0.629408} 0 Mg63 1726 0.0 1
12 {} mg+ 2.0001000000000002 {0.433785 0.457306 0.477113} 0 Mg64 1727 0.0 1
12 {} mg+ 2.0001000000000002 {0.575637 0.676154 0.626559} 0 Mg65 1728 0.0 1
12 {} mg+ 2.0001000000000002 {0.753261 0.669208 0.752841} 0 Mg66 1729 0.0 1
12 {} mg+ 2.0001000000000002 {0.626978 0.478397 0.818378} 0 Mg67 1730 0.0 1
12 {} mg+ 2.0001000000000002 {0.70036 0.47554 0.604519} 0 Mg68 1731 0.0 1
12 {} mg+ 2.0001000000000002 {0.670812 0.954926 0.857357} 0 Mg69 1732 0.0 1
12 {} mg+ 2.0001000000000002 {0.678355 0.249677 0.486545} 0 Mg70 1733 0.0 1
12 {} mg+ 2.0001000000000002 {0.523402 0.433412 0.864853} 0 Mg71 1734 0.0 1
12 {} mg+ 2.0001000000000002 {0.624325 0.143448 0.629979} 0 Mg72 1735 0.0 1
12 {} mg+ 2.0001000000000002 {0.233797 0.586922 0.928626} 0 Mg73 1736 0.0 1
12 {} mg+ 2.0001000000000002 {0.0714885 0.230713 0.344476} 0 Mg74 1737 0.0 1
12 {} mg+ 2.0001000000000002 {0.9881 0.644434 0.947774} 0 Mg75 1738 0.0 1
12 {} mg+ 2.0001000000000002 {0.995671 0.872286 0.894245} 0 Mg76 1739 0.0 1
12 {} mg+ 2.0001000000000002 {0.619284 0.75454 0.866708} 0 Mg77 1740 0.0 1
12 {} mg+ 2.0001000000000002 {0.562995 0.215575 0.53746} 0 Mg78 1741 0.0 1
12 {} mg+ 2.0001000000000002 {0.802291 0.0142684 0.611262} 0 Mg79 1742 0.0 1
12 {} mg+ 2.0001000000000002 {0.604886 0.295177 0.352019} 0 Mg80 1743 0.0 1
12 {} mg+ 2.0001000000000002 {0.260119 0.24619 0.729918} 0 Mg81 1744 0.0 1
12 {} mg+ 2.0001000000000002 {0.450747 0.344353 0.905425} 0 Mg82 1745 0.0 1
12 {} mg+ 2.0001000000000002 {0.120777 0.092404 0.925931} 0 Mg83 1746 0.0 1
12 {} mg+ 2.0001000000000002 {0.950625 0.415982 0.901741} 0 Mg84 1747 0.0 1
12 {} mg+ 2.0001000000000002 {0.798181 0.6847 0.818214} 0 Mg85 1748 0.0 1
12 {} mg+ 2.0001000000000002 {0.125122 0.363314 0.820879} 0 Mg86 1749 0.0 1
12 {} mg+ 2.0001000000000002 {0.16648 0.33824 0.876511} 0 Mg87 1750 0.0 1
12 {} mg+ 2.0001000000000002 {0.868941 0.405726 0.933438} 0 Mg88 1751 0.0 1
12 {} mg+ 2.0001000000000002 {0.71187 0.836419 0.513226} 0 Mg89 1752 0.0 1
12 {} mg+ 2.0001000000000002 {0.62938 0.170138 0.414069} 0 Mg90 1753 0.0 1
12 {} mg+ 2.0001000000000002 {0.409997 0.108512 0.842793} 0 Mg91 1754 0.0 1
12 {} mg+ 2.0001000000000002 {0.909819 0.771774 0.322044} 0 Mg92 1755 0.0 1
12 {} mg+ 2.0001000000000002 {0.960223 0.836879 0.833662} 0 Mg93 1756 0.0 1
12 {} mg+ 2.0001000000000002 {0.0163236 0.453407 0.848583} 0 Mg94 1757 0.0 1
12 {} mg+ 2.0001000000000002 {0.0605425 0.700275 0.656814} 0 Mg95 1758 0.0 1
12 {} mg+ 2.0001000000000002 {0.883827 0.0172631 0.774559} 0 Mg96 1759 0.0 1
12 {} mg+ 2.0001000000000002 {0.751161 0.717702 0.33787} 0 Mg97 1760 0.0 1
12 {} mg+ 2.0001000000000002 {0.27114 0.575473 0.628674} 0 Mg98 1761 0.0 1
12 {} mg+ 2.0001000000000002 {0.113068 0.806594 0.42611} 0 Mg99 1762 0.0 1
12 {} mg+ 2.0001000000000002 {0.828307 0.212941 0.782002} 0 Mg100 1763 0.0 1
12 {} mg+ 2.0001000000000002 {0.671822 0.407781 0.930548} 0 Mg101 1764 0.0 1
12 {} mg+ 2.0001000000000002 {0.623885 0.9818 0.918489} 0 Mg102 1765 0.0 1
12 {} mg+ 2.0001000000000002 {0.769255 0.89281 0.618529} 0 Mg103 1766 0.0 1
12 {} mg+ 2.0001000000000002 {0.894776 0.0428348 0.449966} 0 Mg104 1767 0.0 1
12 {} mg+ 2.0001000000000002 {0.226569 0.212474 0.800024} 0 Mg105 1768 0.0 1
12 {} mg+ 2.0001000000000002 {0.109803 0.135302 0.485542} 0 Mg106 1769 0.0 1
12 {} mg+ 2.0001000000000002 {0.600098 0.733765 0.934128} 0 Mg107 1770 0.0 1
12 {} mg+ 2.0001000000000002 {0.138372 0.931871 0.793868} 0 Mg108 1771 0.0 1
12 {} mg+ 2.0001000000000002 {0.71645 0.793756 0.596375} 0 Mg109 1772 0.0 1
12 {} mg+ 2.0001000000000002 {0.731588 0.541335 0.289888} 0 Mg110 1773 0.0 1
12 {} mg+ 2.0001000000000002 {0.350706 0.597977 0.946558} 0 Mg111 1774 0.0 1
12 {} mg+ 2.0001000000000002 {0.738792 0.256494 0.832728} 0 Mg112 1775 0.0 1
12 {} mg+ 2.0001000000000002 {0.19471 0.470619 0.877934} 0 Mg113 1776 0.0 1
12 {} mg+ 2.0001000000000002 {0.441626 0.810586 0.677776} 0 Mg114 1777 0.0 1
12 {} mg+ 2.0001000000000002 {0.31258 0.942724 0.533926} 0 Mg115 1778 0.0 1
12 {} mg+ 2.0001000000000002 {0.793623 0.313395 0.482417} 0 Mg116 1779 0.0 1
12 {} mg+ 2.0001000000000002 {0.174964 0.837062 0.595553} 0 Mg117 1780 0.0 1
12 {} mg+ 2.0001000000000002 {0.378397 0.659618 0.502947} 0 Mg118 1781 0.0 1
12 {} mg+ 2.0001000000000002 {0.0187689 0.21561 0.306483} 0 Mg119 1782 0.0 1
12 {} mg+ 2.0001000000000002 {0.7235 0.989181 0.441924} 0 Mg120 1783 0.0 1
12 {} mg+ 2.0001000000000002 {0.0538173 0.710808 0.508382} 0 Mg121 1784 0.0 1
12 {} mg+ 2.0001000000000002 {0.956683 0.692099 0.711549} 0 Mg122 1785 0.0 1
12 {} mg+ 2.0001000000000002 {0.438943 0.193186 0.352839} 0 Mg123 1786 0.0 1
12 {} mg+ 2.0001000000000002 {0.787419 0.783523 0.36949} 0 Mg124 1787 0.0 1
12 {} mg+ 2.0001000000000002 {0.492433 0.849543 0.407302} 0 Mg125 1788 0.0 1
12 {} mg+ 2.0001000000000002 {0.0181222 0.986847 0.828217} 0 Mg126 1789 0.0 1
12 {} mg+ 2.0001000000000002 {0.379414 0.625868 0.547002} 0 Mg127 1790 0.0 1
12 {} mg+ 2.0001000000000002 {0.844188 0.389769 0.592746} 0 Mg128 1791 0.0 1
12 {} mg+ 2.0001000000000002 {0.930105 0.724172 0.632229} 0 Mg129 1792 0.0 1
12 {} mg+ 2.0001000000000002 {0.697099 0.863157 0.325621} 0 Mg130 1793 0.0 1
12 {} mg+ 2.0001000000000002 {0.0181066 0.0973922 0.63408} 0 Mg131 1794 0.0 1
12 {} mg+ 2.0001000000000002 {0.460752 0.637406 0.58367} 0 Mg132 1795 0.0 1
12 {} mg+ 2.0001000000000002 {0.903701 0.204485 0.509856} 0 Mg133 1796 0.0 1
12 {} mg+ 2.0001000000000002 {0.0732496 0.531337 0.920122} 0 Mg134 1797 0.0 1
12 {} mg+ 2.0001000000000002 {0.33603 0.40221 0.648121} 0 Mg135 1798 0.0 1
12 {} mg+ 2.0001000000000002 {0.914373 0.872435 0.645654} 0 Mg136 1799 0.0 1
12 {} mg+ 2.0001000000000002 {0.616753 0.146821 0.931785} 0 Mg137 1800 0.0 1
12 {} mg+ 2.0001000000000002 {0.923522 0.0383909 0.67856} 0 Mg138 1801 0.0 1
12 {} mg+ 2.0001000000000002 {0.251142 0.461225 0.919432} 0 Mg139 1802 0.0 1
12 {} mg+ 2.0001000000000002 {0.154792 0.524875 0.508475} 0 Mg140 1803 0.0 1
12 {} mg+ 2.0001000000000002 {0.0827711 0.310467 0.439539} 0 Mg141 1804 0.0 1
12 {} mg+ 2.0001000000000002 {0.296496 0.551014 0.784885} 0 Mg142 1805 0.0 1
12 {} mg+ 2.0001000000000002 {0.678891 0.695681 0.546449} 0 Mg143 1806 0.0 1
12 {} mg+ 2.0001000000000002 {0.0992324 0.110293 0.790998} 0 Mg144 1807 0.0 1
12 {} mg+ 2.0001000000000002 {0.182716 0.42399 0.292376} 0 Mg145 1808 0.0 1
12 {} mg+ 2.0001000000000002 {0.859907 0.54956 0.416271} 0 Mg146 1809 0.0 1
12 {} mg+ 2.0001000000000002 {0.201581 0.978884 0.554652} 0 Mg147 1810 0.0 1
12 {} mg+ 2.0001000000000002 {0.126659 0.0150334 0.970728} 0 Mg148 1811 0.0 1
12 {} mg+ 2.0001000000000002 {0.645707 0.405742 0.330866} 0 Mg149 1812 0.0 1
12 {} mg+ 2.0001000000000002 {0.814963 0.00402062 0.950957} 0 Mg150 1813 0.0 1
12 {} mg+ 2.0001000000000002 {0.628167 0.0840835 0.689045} 0 Mg151 1814 0.0 1
12 {} mg+ 2.0001000000000002 {0.254156 0.225796 0.968076} 0 Mg152 1815 0.0 1
12 {} mg+ 2.0001000000000002 {0.358847 0.0663789 0.485191} 0 Mg153 1816 0.0 1
12 {} mg+ 2.0001000000000002 {0.746333 0.392994 0.684707} 0 Mg154 1817 0.0 1
12 {} mg+ 2.0001000000000002 {0.768722 0.0838725 0.649304} 0 Mg155 1818 0.0 1
12 {} mg+ 2.0001000000000002 {0.545211 0.185668 0.791599} 0 Mg156 1819 0.0 1
12 {} mg+ 2.0001000000000002 {0.917983 0.107821 0.389143} 0 Mg157 1820 0.0 1
12 {} mg+ 2.0001000000000002 {0.43476 0.894962 0.619245} 0 Mg158 1821 0.0 1
12 {} mg+ 2.0001000000000002 {0.94813 0.908777 0.732065} 0 Mg159 1822 0.0 1
12 {} mg+ 2.0001000000000002 {0.304466 0.443333 0.703221} 0 Mg160 1823 0.0 1
12 {} mg+ 2.0001000000000002 {0.0550495 0.866678 0.679387} 0 Mg161 1824 0.0 1
12 {} mg+ 2.0001000000000002 {0.718483 0.017577 0.340355} 0 Mg162 1825 0.0 1
12 {} mg+ 2.0001000000000002 {0.972383 0.112999 0.872165} 0 Mg163 1826 0.0 1
12 {} mg+ 2.0001000000000002 {0.936197 0.790934 0.971083} 0 Mg164 1827 0.0 1
12 {} mg+ 2.0001000000000002 {0.114991 0.844301 0.545343} 0 Mg165 1828 0.0 1
12 {} mg+ 2.0001000000000002 {0.671606 0.325928 0.424054} 0 Mg166 1829 0.0 1
12 {} mg+ 2.0001000000000002 {0.337183 0.184224 0.413567} 0 Mg167 1830 0.0 1
12 {} mg+ 2.0001000000000002 {0.953477 0.857605 0.360057} 0 Mg168 1831 0.0 1
12 {} mg+ 2.0001000000000002 {0.266148 0.756505 0.366581} 0 Mg169 1832 0.0 1
12 {} mg+ 2.0001000000000002 {0.414206 0.220308 0.932992} 0 Mg170 1833 0.0 1
12 {} mg+ 2.0001000000000002 {0.527555 0.455585 0.667952} 0 Mg171 1834 0.0 1
12 {} mg+ 2.0001000000000002 {0.111991 0.851443 0.845045} 0 Mg172 1835 0.0 1
12 {} mg+ 2.0001000000000002 {0.283578 0.0921186 0.601909} 0 Mg173 1836 0.0 1
12 {} mg+ 2.0001000000000002 {0.197024 0.831182 0.691421} 0 Mg174 1837 0.0 1
12 {} mg+ 2.0001000000000002 {0.40946 0.708649 0.442993} 0 Mg175 1838 0.0 1
12 {} mg+ 2.0001000000000002 {0.613576 0.302166 0.710928} 0 Mg176 1839 0.0 1
12 {} mg+ 2.0001000000000002 {0.0497994 0.359968 0.970541} 0 Mg177 1840 0.0 1
12 {} mg+ 2.0001000000000002 {0.459404 0.674609 0.372129} 0 Mg178 1841 0.0 1
12 {} mg+ 2.0001000000000002 {0.814221 0.972508 0.878457} 0 Mg179 1842 0.0 1
12 {} mg+ 2.0001000000000002 {0.188962 0.0168403 0.86954} 0 Mg180 1843 0.0 1
12 {} mg+ 2.0001000000000002 {0.98423 0.582083 0.553385} 0 Mg181 1844 0.0 1
12 {} mg+ 2.0001000000000002 {0.76271 0.264898 0.628124} 0 Mg182 1845 0.0 1
12 {} mg+ 2.0001000000000002 {0.854747 0.159073 0.702584} 0 Mg183 1846 0.0 1
12 {} mg+ 2.0001000000000002 {0.612446 0.383721 0.587436} 0 Mg184 1847 0.0 1
12 {} mg+ 2.0001000000000002 {0.434601 0.183437 0.309306} 0 Mg185 1848 0.0 1
12 {} mg+ 2.0001000000000002 {0.463322 0.195295 0.479264} 0 Mg186 1849 0.0 1
12 {} mg+ 2.0001000000000002 {0.215276 0.625437 0.707964} 0 Mg187 1850 0.0 1
12 {} mg+ 2.0001000000000002 {0.600759 0.535747 0.423708} 0 Mg188 1851 0.0 1
12 {} mg+ 2.0001000000000002 {0.797985 0.954435 0.500091} 0 Mg189 1852 0.0 1
12 {} mg+ 2.0001000000000002 {0.452985 0.532077 0.907748} 0 Mg190 1853 0.0 1
12 {} mg+ 2.0001000000000002 {0.276135 0.255356 0.620332} 0 Mg191 1854 0.0 1
12 {} mg+ 2.0001000000000002 {0.857829 0.915709 0.312265} 0 Mg192 1855 0.0 1
12 {} mg+ 2.0001000000000002 {0.233101 0.758963 0.777533} 0 Mg193 1856 0.0 1
12 {} mg+ 2.0001000000000002 {0.0979548 0.94771 0.386796} 0 Mg194 1857 0.0 1
12 {} mg+ 2.0001000000000002 {0.25311 0.711015 0.841842} 0 Mg195 1858 0.0 1
12 {} mg+ 2.0001000000000002 {0.996956 0.436071 0.49241} 0 Mg196 1859 0.0 1
12 {} mg+ 2.0001000000000002 {0.360665 0.209729 0.798866} 0 Mg197 1860 0.0 1
12 {} mg+ 2.0001000000000002 {0.957462 0.0344408 0.932339} 0 Mg198 1861 0.0 1
12 {} mg+ 2.0001000000000002 {0.621729 0.51011 0.640238} 0 Mg199 1862 0.0 1
12 {} mg+ 2.0001000000000002 {0.405144 0.884418 0.439908} 0 Mg200 1863 0.0 1
12 {} mg+ 2.0001000000000002 {0.0119763 0.552504 0.370918} 0 Mg201 1864 0.0 1
12 {} mg+ 2.0001000000000002 {0.236906 0.480254 0.598047} 0 Mg202 1865 0.0 1
12 {} mg+ 2.0001000000000002 {0.106697 0.836638 0.341775} 0 Mg203 1866 0.0 1
12 {} mg+ 2.0001000000000002 {0.605801 0.580218 0.577841} 0 Mg204 1867 0.0 1
12 {} mg+ 2.0001000000000002 {0.776163 0.160385 0.951622} 0 Mg205 1868 0.0 1
12 {} mg+ 2.0001000000000002 {0.201268 0.31503 0.531802} 0 Mg206 1869 0.0 1
17 {} Cl -1.0 {0.305234 0.941802 0.463572} 0 Cl1 1870 0.0 1
17 {} Cl -1.0 {0.847876 0.760129 0.361781} 0 Cl2 1871 0.0 1
17 {} Cl -1.0 {0.611159 0.843441 0.388814} 0 Cl3 1872 0.0 1
17 {} Cl -1.0 {0.836869 0.403404 0.912239} 0 Cl4 1873 0.0 1
17 {} Cl -1.0 {0.956416 0.0696713 0.854966} 0 Cl5 1874 0.0 1
17 {} Cl -1.0 {0.187249 0.402255 0.882808} 0 Cl6 1875 0.0 1
17 {} Cl -1.0 {0.385351 0.241073 0.913053} 0 Cl7 1876 0.0 1
17 {} Cl -1.0 {0.50117 0.838665 0.674831} 0 Cl8 1877 0.0 1
17 {} Cl -1.0 {0.710498 0.0569122 0.638614} 0 Cl9 1878 0.0 1
17 {} Cl -1.0 {0.683544 0.248923 0.936949} 0 Cl10 1879 0.0 1
17 {} Cl -1.0 {0.0745171 0.231932 0.320277} 0 Cl11 1880 0.0 1
17 {} Cl -1.0 {0.56608 0.127281 0.327128} 0 Cl12 1881 0.0 1
17 {} Cl -1.0 {0.584134 0.564107 0.919395} 0 Cl13 1882 0.0 1
17 {} Cl -1.0 {0.737574 0.935351 0.67825} 0 Cl14 1883 0.0 1
17 {} Cl -1.0 {0.654837 0.715749 0.947941} 0 Cl15 1884 0.0 1
17 {} Cl -1.0 {0.241566 0.698889 0.765402} 0 Cl16 1885 0.0 1
17 {} Cl -1.0 {0.859697 0.252643 0.662383} 0 Cl17 1886 0.0 1
17 {} Cl -1.0 {0.265656 0.893188 0.372433} 0 Cl18 1887 0.0 1
17 {} Cl -1.0 {0.651971 0.344244 0.939518} 0 Cl19 1888 0.0 1
17 {} Cl -1.0 {0.558977 0.584415 0.561239} 0 Cl20 1889 0.0 1
17 {} Cl -1.0 {0.372347 0.708533 0.923037} 0 Cl21 1890 0.0 1
17 {} Cl -1.0 {0.920128 0.43836 0.923721} 0 Cl22 1891 0.0 1
17 {} Cl -1.0 {0.669979 0.510456 0.623096} 0 Cl23 1892 0.0 1
17 {} Cl -1.0 {0.141749 0.235329 0.891138} 0 Cl24 1893 0.0 1
17 {} Cl -1.0 {0.917337 0.138428 0.329105} 0 Cl25 1894 0.0 1
17 {} Cl -1.0 {0.639536 0.729597 0.914212} 0 Cl26 1895 0.0 1
17 {} Cl -1.0 {0.0801164 0.434604 0.891618} 0 Cl27 1896 0.0 1
17 {} Cl -1.0 {0.548643 0.398006 0.594065} 0 Cl28 1897 0.0 1
17 {} Cl -1.0 {0.140993 0.468142 0.495838} 0 Cl29 1898 0.0 1
17 {} Cl -1.0 {0.487214 0.0838731 0.771225} 0 Cl30 1899 0.0 1
17 {} Cl -1.0 {0.639656 0.908908 0.782441} 0 Cl31 1900 0.0 1
17 {} Cl -1.0 {0.399129 0.37238 0.40252} 0 Cl32 1901 0.0 1
17 {} Cl -1.0 {0.25215 0.907651 0.725073} 0 Cl33 1902 0.0 1
17 {} Cl -1.0 {0.88919 0.239825 0.783579} 0 Cl34 1903 0.0 1
17 {} Cl -1.0 {0.712619 0.420271 0.616023} 0 Cl35 1904 0.0 1
17 {} Cl -1.0 {0.706207 0.603081 0.648788} 0 Cl36 1905 0.0 1
17 {} Cl -1.0 {0.594128 0.113017 0.912814} 0 Cl37 1906 0.0 1
17 {} Cl -1.0 {0.00613449 0.582634 0.711128} 0 Cl38 1907 0.0 1
17 {} Cl -1.0 {0.864744 0.973174 0.963323} 0 Cl39 1908 0.0 1
17 {} Cl -1.0 {0.445484 0.123998 0.686039} 0 Cl40 1909 0.0 1
17 {} Cl -1.0 {0.87597 0.774539 0.408871} 0 Cl41 1910 0.0 1
17 {} Cl -1.0 {0.183605 0.269949 0.653226} 0 Cl42 1911 0.0 1
17 {} Cl -1.0 {0.735898 0.872541 0.304787} 0 Cl43 1912 0.0 1
17 {} Cl -1.0 {0.392354 0.97144 0.654802} 0 Cl44 1913 0.0 1
17 {} Cl -1.0 {0.227134 0.814872 0.79044} 0 Cl45 1914 0.0 1
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1 {} hw 0.42799999999999999 {0.724996 0.810436 0.911044} 0 H555 3250 0.0 1
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1 {} hw 0.42799999999999999 {0.960075 0.749659 0.920438} 0 H5532 10715 0.0 1
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1 {} hw 0.42799999999999999 {0.00656701 0.949585 0.508054} 0 H5534 10718 0.0 1
8 {} o* -0.85599999999999998 {0.0626783 0.126765 0.641516} 0 O2892 10719 0.0 1
1 {} hw 0.42799999999999999 {0.0883718 0.121423 0.642316} 0 H5535 10720 0.0 1
1 {} hw 0.42799999999999999 {0.0618327 0.153076 0.641197} 0 H5536 10721 0.0 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {36.8271 36.8271 103.6 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{36.8271 0 0} {0 36.8271 0} {0 0 103.6}} {{0.0271539165452 0 0} {0 0.0271539165452 0} {0 0 0.00965250965251}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
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5650 10707 10706 {0 0 0} 0
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5659 10720 10718 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
{#65d9f0} {} 0 1 0 0 1 Layer2 Subset_Layer2 atom 0
{#65d9f0} {} 0 1 0 0 1 Li_1 Subset_Li_1 atom 0
{#65d9f0} {} 0 1 0 0 1 Na_1 Subset_Na_1 atom 0
{#65d9f0} {} 0 1 0 0 1 K_1 Subset_K_1 atom 0
{#65d9f0} {} 0 1 0 0 1 Mg_1 Subset_Mg_1 atom 0
{#65d9f0} {} 0 1 0 0 1 Cl_1 Subset_Cl_1 atom 0
{#65d9f0} {} 0 1 0 0 1 O(SO4)_1 Subset_O(SO4)_1 atom 0
{#65d9f0} {} 0 1 0 0 1 S(SO4)_1 Subset_S(SO4)_1 atom 0
{#65d9f0} {} 0 1 0 0 1 O(H2O)_1 Subset_O(H2O)_1 atom 0
{#65d9f0} {} 0 1 0 0 1 H(H2O)_1 Subset_H(H2O)_1 atom 0
{#65d9f0} {} 0 1 0 0 1 Layer1 Subset_Layer1 atom 0
@end
@Columns Subset_Cl_1
	Atom	reference	Atom
@end
@data
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2100
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2160
2161
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2164
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2167
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2169
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2178
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2222
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2240
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@end
@Columns Subset_H(H2O)_1
	Atom	reference	Atom
@end
@data
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@end
@Columns Subset_K_1
	Atom	reference	Atom
@end
@data
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@end
@Columns Subset_Layer1
	Atom	reference	Atom
@end
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@end
@Columns Subset_Layer2
	Atom	reference	Atom
@end
@data
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731
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813
814
815
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819
820
821
822
823
824
825
826
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828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
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875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
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899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205
1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265
1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325
1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385
1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445
1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505
1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540
1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565
1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
@end
@Columns Subset_Li_1
	Atom	reference	Atom
@end
@data
1620
1621
1622
1623
1624
1625
1626
1627
1628
1629
@end
@Columns Subset_Mg_1
	Atom	reference	Atom
@end
@data
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685
1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745
1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805
1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865
1866
1867
1868
@end
@Columns Subset_Na_1
	Atom	reference	Atom
@end
@data
1630
1631
@end
@Columns Subset_O(H2O)_1
	Atom	reference	Atom
@end
@data
2417
2420
2423
2426
2429
2432
2435
2438
2441
2444
2447
2450
2453
2456
2459
2462
2465
2468
2471
2474
2477
2480
2483
2486
2489
2492
2495
2498
2501
2504
2507
2510
2513
2516
2519
2522
2525
2528
2531
2534
2537
2540
2543
2546
2549
2552
2555
2558
2561
2564
2567
2570
2573
2576
2579
2582
2585
2588
2591
2594
2597
2600
2603
2606
2609
2612
2615
2618
2621
2624
2627
2630
2633
2636
2639
2642
2645
2648
2651
2654
2657
2660
2663
2666
2669
2672
2675
2678
2681
2684
2687
2690
2693
2696
2699
2702
2705
2708
2711
2714
2717
2720
2723
2726
2729
2732
2735
2738
2741
2744
2747
2750
2753
2756
2759
2762
2765
2768
2771
2774
2777
2780
2783
2786
2789
2792
2795
2798
2801
2804
2807
2810
2813
2816
2819
2822
2825
2828
2831
2834
2837
2840
2843
2846
2849
2852
2855
2858
2861
2864
2867
2870
2873
2876
2879
2882
2885
2888
2891
2894
2897
2900
2903
2906
2909
2912
2915
2918
2921
2924
2927
2930
2933
2936
2939
2942
2945
2948
2951
2954
2957
2960
2963
2966
2969
2972
2975
2978
2981
2984
2987
2990
2993
2996
2999
3002
3005
3008
3011
3014
3017
3020
3023
3026
3029
3032
3035
3038
3041
3044
3047
3050
3053
3056
3059
3062
3065
3068
3071
3074
3077
3080
3083
3086
3089
3092
3095
3098
3101
3104
3107
3110
3113
3116
3119
3122
3125
3128
3131
3134
3137
3140
3143
3146
3149
3152
3155
3158
3161
3164
3167
3170
3173
3176
3179
3182
3185
3188
3191
3194
3197
3200
3203
3206
3209
3212
3215
3218
3221
3224
3227
3230
3233
3236
3239
3242
3245
3248
3251
3254
3257
3260
3263
3266
3269
3272
3275
3278
3281
3284
3287
3290
3293
3296
3299
3302
3305
3308
3311
3314
3317
3320
3323
3326
3329
3332
3335
3338
3341
3344
3347
3350
3353
3356
3359
3362
3365
3368
3371
3374
3377
3380
3383
3386
3389
3392
3395
3398
3401
3404
3407
3410
3413
3416
3419
3422
3425
3428
3431
3434
3437
3440
3443
3446
3449
3452
3455
3458
3461
3464
3467
3470
3473
3476
3479
3482
3485
3488
3491
3494
3497
3500
3503
3506
3509
3512
3515
3518
3521
3524
3527
3530
3533
3536
3539
3542
3545
3548
3551
3554
3557
3560
3563
3566
3569
3572
3575
3578
3581
3584
3587
3590
3593
3596
3599
3602
3605
3608
3611
3614
3617
3620
3623
3626
3629
3632
3635
3638
3641
3644
3647
3650
3653
3656
3659
3662
3665
3668
3671
3674
3677
3680
3683
3686
3689
3692
3695
3698
3701
3704
3707
3710
3713
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9857
9860
9863
9866
9869
9872
9875
9878
9881
9884
9887
9890
9893
9896
9899
9902
9905
9908
9911
9914
9917
9920
9923
9926
9929
9932
9935
9938
9941
9944
9947
9950
9953
9956
9959
9962
9965
9968
9971
9974
9977
9980
9983
9986
9989
9992
9995
9998
10001
10004
10007
10010
10013
10016
10019
10022
10025
10028
10031
10034
10037
10040
10043
10046
10049
10052
10055
10058
10061
10064
10067
10070
10073
10076
10079
10082
10085
10088
10091
10094
10097
10100
10103
10106
10109
10112
10115
10118
10121
10124
10127
10130
10133
10136
10139
10142
10145
10148
10151
10154
10157
10160
10163
10166
10169
10172
10175
10178
10181
10184
10187
10190
10193
10196
10199
10202
10205
10208
10211
10214
10217
10220
10223
10226
10229
10232
10235
10238
10241
10244
10247
10250
10253
10256
10259
10262
10265
10268
10271
10274
10277
10280
10283
10286
10289
10292
10295
10298
10301
10304
10307
10310
10313
10316
10319
10322
10325
10328
10331
10334
10337
10340
10343
10346
10349
10352
10355
10358
10361
10364
10367
10370
10373
10376
10379
10382
10385
10388
10391
10394
10397
10400
10403
10406
10409
10412
10415
10418
10421
10424
10427
10430
10433
10436
10439
10442
10445
10448
10451
10454
10457
10460
10463
10466
10469
10472
10475
10478
10481
10484
10487
10490
10493
10496
10499
10502
10505
10508
10511
10514
10517
10520
10523
10526
10529
10532
10535
10538
10541
10544
10547
10550
10553
10556
10559
10562
10565
10568
10571
10574
10577
10580
10583
10586
10589
10592
10595
10598
10601
10604
10607
10610
10613
10616
10619
10622
10625
10628
10631
10634
10637
10640
10643
10646
10649
10652
10655
10658
10661
10664
10667
10670
10673
10676
10679
10682
10685
10688
10691
10694
10697
10700
10703
10706
10709
10712
10715
10718
@end
@Columns Subset_O(SO4)_1
	Atom	reference	Atom
@end
@data
2263
2264
2265
2266
2268
2269
2270
2271
2273
2274
2275
2276
2278
2279
2280
2281
2283
2284
2285
2286
2288
2289
2290
2291
2293
2294
2295
2296
2298
2299
2300
2301
2303
2304
2305
2306
2308
2309
2310
2311
2313
2314
2315
2316
2318
2319
2320
2321
2323
2324
2325
2326
2328
2329
2330
2331
2333
2334
2335
2336
2338
2339
2340
2341
2343
2344
2345
2346
2348
2349
2350
2351
2353
2354
2355
2356
2358
2359
2360
2361
2363
2364
2365
2366
2368
2369
2370
2371
2373
2374
2375
2376
2378
2379
2380
2381
2383
2384
2385
2386
2388
2389
2390
2391
2393
2394
2395
2396
2398
2399
2400
2401
2403
2404
2405
2406
2408
2409
2410
2411
2413
2414
2415
2416
@end
@Columns Subset_S(SO4)_1
	Atom	reference	Atom
@end
@data
2262
2267
2272
2277
2282
2287
2292
2297
2302
2307
2312
2317
2322
2327
2332
2337
2342
2347
2352
2357
2362
2367
2372
2377
2382
2387
2392
2397
2402
2407
2412
@end