No title 1.0 11.08690000 0.00000000 0.00000000 5.54345000 9.60153705 0.00000000 0.00000000 0.00000000 29.05240000 Pt H O S 64 2 3 1 Direct 0.95193454 0.09990264 0.40395744 # 1 Pt1 0.40159311 0.28367743 0.45814034 # 2 Pt2 0.05177164 0.17128302 0.58216682 # 3 Pt3 0.36539556 0.28534018 0.35377797 # 4 Pt4 0.93455477 0.72268381 0.98696770 # 5 Pt5 0.03928923 0.48858917 0.52652285 # 6 Pt6 0.94508845 0.69356522 0.26101693 # 7 Pt7 0.56230391 0.69007168 0.16111735 # 8 Pt8 0.30604209 0.32418387 0.64524773 # 9 Pt9 0.69977056 0.98270815 0.53513671 # 10 Pt10 0.10853752 0.01790936 0.13627162 # 11 Pt11 0.81306672 0.77050452 0.67868801 # 12 Pt12 0.54773749 0.13688704 0.51066562 # 13 Pt13 0.53646160 0.92889669 0.53737205 # 14 Pt14 0.49864196 0.79207791 0.05137777 # 15 Pt15 0.72199616 0.36514464 0.30131011 # 16 Pt16 0.60013139 0.47357755 0.52110030 # 17 Pt17 0.22783701 0.29484310 0.16182262 # 18 Pt18 0.43570934 0.46816434 0.10089198 # 19 Pt19 0.87017429 0.66799336 0.17453155 # 20 Pt20 0.13194323 0.29156468 0.08794597 # 21 Pt21 0.03836975 0.96202289 0.72656259 # 22 Pt22 0.95944827 0.75604736 0.46576664 # 23 Pt23 0.42149875 0.76658585 0.29388866 # 24 Pt24 0.31872504 0.25205609 0.98980591 # 25 Pt25 0.17401111 0.69518917 0.19092586 # 26 Pt26 0.56778505 0.45046822 0.54979916 # 27 Pt27 0.96864356 0.43108726 0.03507612 # 28 Pt28 0.16391829 0.50599673 0.00601471 # 29 Pt29 0.79708585 0.81690778 0.25365459 # 30 Pt30 0.15436046 0.16261255 0.32969306 # 31 Pt31 0.20104454 0.17171051 0.01151816 # 32 Pt32 0.90552757 0.27681517 0.64851846 # 33 Pt33 0.35031027 0.61222370 0.88950068 # 34 Pt34 0.77864469 0.86633086 0.45234385 # 35 Pt35 0.25093782 0.26748391 0.47611124 # 36 Pt36 0.81478580 0.71185832 0.72445936 # 37 Pt37 0.52512075 0.03244664 0.60705595 # 38 Pt38 0.67119406 0.87969936 0.91375018 # 39 Pt39 0.36244413 0.64027234 0.14950322 # 40 Pt40 0.51457492 0.93348767 0.43003583 # 41 Pt41 0.81707205 0.04876659 0.59811915 # 42 Pt42 0.63335020 0.02140111 0.22581592 # 43 Pt43 0.12911327 0.90187287 0.42874158 # 44 Pt44 0.93022039 0.87689190 0.02450096 # 45 Pt45 0.22171357 0.46867585 0.74090229 # 46 Pt46 0.86868674 0.63884672 0.74440490 # 47 Pt47 0.64263574 0.87712464 0.86111173 # 48 Pt48 0.48389550 0.19214084 0.41768264 # 49 Pt49 0.90633637 0.15543961 0.58014544 # 50 Pt50 0.74802111 0.97533013 0.22283512 # 51 Pt51 0.95040113 0.22832100 0.29381871 # 52 Pt52 0.15689474 0.60926826 0.81507706 # 53 Pt53 0.98384278 0.34027913 0.68474353 # 54 Pt54 0.23935457 0.01098903 0.05538287 # 55 Pt55 0.55617887 0.93834270 0.41631858 # 56 Pt56 0.62606975 0.75987517 0.04679993 # 57 Pt57 0.37285068 0.52705788 0.81453727 # 58 Pt58 0.80584145 0.22777328 0.91620167 # 59 Pt59 0.68834392 0.89018010 0.92983287 # 60 Pt60 0.83242837 0.53404360 0.37858800 # 61 Pt61 0.43005973 0.38595100 0.03154756 # 62 Pt62 0.81630961 0.27011899 0.48015341 # 63 Pt63 0.68937964 0.29273378 0.72154083 # 64 Pt64 0.08863544 0.15916192 0.22478391 # 65 H65 0.24562930 0.24447823 0.45255235 # 66 H66 0.04945758 0.56093754 0.16973389 # 67 O67 0.31653468 0.19480238 0.37175244 # 68 O68 0.98808555 0.44219002 0.53574846 # 69 O69 0.06504966 0.75331188 0.45952158 # 70 S70