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 0.64477430 0.39497930 0.36003567 # 1 Pt1 0.09188123 0.14393305 0.31791576 # 2 Pt2 0.13665729 0.25344123 0.82203288 # 3 Pt3 0.61679984 0.26703881 0.60238987 # 4 Pt4 0.80327142 0.80034109 0.50414145 # 5 Pt5 0.55011327 0.65139001 0.35816828 # 6 Pt6 0.38224739 0.44394522 0.58070976 # 7 Pt7 0.99145033 0.90897014 0.13367201 # 8 Pt8 0.09961241 0.19172594 0.26950227 # 9 Pt9 0.86796824 0.53142204 0.36891567 # 10 Pt10 0.82569099 0.29485199 0.08435543 # 11 Pt11 0.51374515 0.62416344 0.99538555 # 12 Pt12 0.63125672 0.44553332 0.55867587 # 13 Pt13 0.55711244 0.18175791 0.98948048 # 14 Pt14 0.24575377 0.37267695 0.40320050 # 15 Pt15 0.79183916 0.32878631 0.57438866 # 16 Pt16 0.08985997 0.07231467 0.42842767 # 17 Pt17 0.39189980 0.89301159 0.30934337 # 18 Pt18 0.53619813 0.59510164 0.26239346 # 19 Pt19 0.98739701 0.21833084 0.17114449 # 20 Pt20 0.55341715 0.33387036 0.95667529 # 21 Pt21 0.78686028 0.95368144 0.69318582 # 22 Pt22 0.86277456 0.09572156 0.75293113 # 23 Pt23 0.74726961 0.56533625 0.47559310 # 24 Pt24 0.04972686 0.73343496 0.36529936 # 25 Pt25 0.53363436 0.59232400 0.45701006 # 26 Pt26 0.65421421 0.88799594 0.14142322 # 27 Pt27 0.77388196 0.04765496 0.69585886 # 28 Pt28 0.09083777 0.21260919 0.38735728 # 29 Pt29 0.74707947 0.99124263 0.49425188 # 30 Pt30 0.27503923 0.47250599 0.72295202 # 31 Pt31 0.14272928 0.50259441 0.65817916 # 32 Pt32 0.82424141 0.65671165 0.55084177 # 33 Pt33 0.36270212 0.29361279 0.87817562 # 34 Pt34 0.56144206 0.43475648 0.29713574 # 35 Pt35 0.75495806 0.85859532 0.68073464 # 36 Pt36 0.37811268 0.91079507 0.32822577 # 37 Pt37 0.25936006 0.83704311 0.12675513 # 38 Pt38 0.02329927 0.79648017 0.87898629 # 39 Pt39 0.34476149 0.02302332 0.38149246 # 40 Pt40 0.54441320 0.97475881 0.00082351 # 41 Pt41 0.22814288 0.95119758 0.23790343 # 42 Pt42 0.29358656 0.90935606 0.75589432 # 43 Pt43 0.64513137 0.84564331 0.42912628 # 44 Pt44 0.20267878 0.62475364 0.20334232 # 45 Pt45 0.10725228 0.88661391 0.55966325 # 46 Pt46 0.64803362 0.87791345 0.27052728 # 47 Pt47 0.91734078 0.52392982 0.85643103 # 48 Pt48 0.64288942 0.40163658 0.84105143 # 49 Pt49 0.75825834 0.40811090 0.48410173 # 50 Pt50 0.83366871 0.54970513 0.21650787 # 51 Pt51 0.14603480 0.72577513 0.05891253 # 52 Pt52 0.31519911 0.82792850 0.99143214 # 53 Pt53 0.96362304 0.12673898 0.62179614 # 54 Pt54 0.55088771 0.06403183 0.96282057 # 55 Pt55 0.10450994 0.91505395 0.82150632 # 56 Pt56 0.72022359 0.75239836 0.63849866 # 57 Pt57 0.06155997 0.25813925 0.32048976 # 58 Pt58 0.79553020 0.44369450 0.16210454 # 59 Pt59 0.72217722 0.35148490 0.37946339 # 60 Pt60 0.26304477 0.02501918 0.18133779 # 61 Pt61 0.50147613 0.32608775 0.86502699 # 62 Pt62 0.43730676 0.16529326 0.66682853 # 63 Pt63 0.46357767 0.62893221 0.87473895 # 64 Pt64 0.08145134 0.87122047 0.02756178 # 65 H65 0.78124944 0.20437865 0.16577157 # 66 H66 0.77323983 0.59978827 0.88263472 # 67 O67 0.12821111 0.41830972 0.38490964 # 68 O68 0.48366995 0.87376220 0.30545917 # 69 O69 0.06601857 0.10804460 0.66534532 # 70 S70