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 0.00947379 0.35595200 0.43764449 # 1 Pt1 0.34226877 0.14685243 0.16921416 # 2 Pt2 0.81017467 0.37981840 0.09290218 # 3 Pt3 0.84871441 0.79218475 0.61588130 # 4 Pt4 0.23008012 0.13840962 0.39842057 # 5 Pt5 0.44346349 0.00130883 0.23444175 # 6 Pt6 0.30055986 0.81660205 0.77457235 # 7 Pt7 0.40578785 0.74704508 0.93782379 # 8 Pt8 0.34162511 0.50054736 0.88024559 # 9 Pt9 0.68953981 0.98975192 0.70140511 # 10 Pt10 0.33819951 0.22716417 0.08925457 # 11 Pt11 0.74848492 0.03760269 0.35608478 # 12 Pt12 0.63232961 0.89130300 0.18763492 # 13 Pt13 0.77557123 0.29284332 0.65927154 # 14 Pt14 0.96376890 0.87071201 0.86780166 # 15 Pt15 0.50031813 0.08412374 0.97981949 # 16 Pt16 0.52003257 0.10454490 0.81422320 # 17 Pt17 0.35495378 0.80023700 0.71938228 # 18 Pt18 0.48269151 0.25412412 0.66189229 # 19 Pt19 0.11626462 0.29820795 0.89814744 # 20 Pt20 0.12814356 0.70217908 0.23388564 # 21 Pt21 0.83545514 0.65913174 0.53340760 # 22 Pt22 0.43596426 0.51728587 0.04146169 # 23 Pt23 0.64498330 0.96895830 0.10089848 # 24 Pt24 0.67884308 0.19249272 0.50083981 # 25 Pt25 0.73918462 0.90780830 0.93928987 # 26 Pt26 0.94715863 0.18902053 0.81313839 # 27 Pt27 0.87911954 0.67323260 0.26419148 # 28 Pt28 0.26669084 0.96522061 0.53233856 # 29 Pt29 0.43439177 0.23341608 0.04811224 # 30 Pt30 0.63304888 0.72801249 0.93505342 # 31 Pt31 0.37661987 0.32976841 0.77318581 # 32 Pt32 0.96848002 0.37934793 0.28456306 # 33 Pt33 0.47521860 0.69801188 0.74674194 # 34 Pt34 0.20896634 0.36722955 0.11958131 # 35 Pt35 0.68396108 0.11082009 0.43369274 # 36 Pt36 0.26767976 0.80043724 0.76071943 # 37 Pt37 0.96141880 0.91470812 0.10017237 # 38 Pt38 0.68903504 0.23170160 0.19078380 # 39 Pt39 0.02132236 0.63226106 0.65074473 # 40 Pt40 0.49770743 0.41238926 0.05491361 # 41 Pt41 0.32633787 0.71095616 0.30283082 # 42 Pt42 0.63049855 0.14257946 0.96065707 # 43 Pt43 0.81419529 0.57220188 0.31081117 # 44 Pt44 0.95217373 0.20973098 0.97633065 # 45 Pt45 0.77478136 0.83411760 0.12253123 # 46 Pt46 0.95320162 0.78810243 0.96807548 # 47 Pt47 0.14315026 0.10369931 0.67137442 # 48 Pt48 0.22801323 0.97746003 0.73698976 # 49 Pt49 0.80349131 0.76256793 0.66836869 # 50 Pt50 0.16239327 0.28311082 0.52107692 # 51 Pt51 0.72734731 0.56951124 0.01534823 # 52 Pt52 0.26541557 0.59671876 0.54800296 # 53 Pt53 0.36434457 0.92730183 0.68442781 # 54 Pt54 0.64934745 0.99433587 0.32381978 # 55 Pt55 0.89847243 0.50777930 0.92854007 # 56 Pt56 0.10057172 0.24375882 0.24826505 # 57 Pt57 0.35461683 0.69672384 0.51913457 # 58 Pt58 0.67977136 0.90075075 0.49994677 # 59 Pt59 0.78926248 0.38647795 0.36374389 # 60 Pt60 0.42619904 0.58520985 0.86678578 # 61 Pt61 0.32288478 0.63103810 0.30133957 # 62 Pt62 0.79685517 0.02626848 0.89525118 # 63 Pt63 0.51918290 0.13970153 0.99186108 # 64 Pt64 0.73521492 0.39041316 0.21757774 # 65 H65 0.43656396 0.21749815 0.05036058 # 66 H66 0.69204374 0.82003972 0.09035427 # 67 O67 0.41644938 0.89341146 0.08485521 # 68 O68 0.62498428 0.40519213 0.37725248 # 69 O69 0.91033323 0.95367871 0.37284061 # 70 S70