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 0.99601095 0.55251532 0.09624741 # 1 Pt1 0.66430810 0.89305469 0.79472491 # 2 Pt2 0.03008465 0.53452065 0.33063824 # 3 Pt3 0.19045060 0.92343066 0.48493812 # 4 Pt4 0.84754415 0.69778105 0.82946833 # 5 Pt5 0.05821452 0.31000014 0.29213220 # 6 Pt6 0.64263476 0.76928974 0.06236802 # 7 Pt7 0.68016896 0.33389821 0.09176886 # 8 Pt8 0.22778041 0.91694784 0.75264388 # 9 Pt9 0.75836795 0.56306151 0.81672212 # 10 Pt10 0.02538173 0.02883633 0.43949958 # 11 Pt11 0.55642084 0.65552876 0.78601339 # 12 Pt12 0.64833943 0.06957104 0.08155048 # 13 Pt13 0.82376304 0.23013351 0.65115840 # 14 Pt14 0.36650929 0.80899103 0.80120721 # 15 Pt15 0.22816015 0.31886669 0.75797593 # 16 Pt16 0.87155597 0.65460751 0.90774983 # 17 Pt17 0.46179557 0.10168447 0.93066592 # 18 Pt18 0.57067589 0.85115362 0.88474132 # 19 Pt19 0.40608569 0.62301746 0.95628848 # 20 Pt20 0.38699496 0.69447882 0.37402706 # 21 Pt21 0.74147069 0.67721660 0.86198922 # 22 Pt22 0.14557816 0.17069034 0.06498711 # 23 Pt23 0.67270271 0.46161363 0.98775231 # 24 Pt24 0.61668056 0.51920767 0.56751576 # 25 Pt25 0.59773525 0.50199899 0.49048661 # 26 Pt26 0.39712424 0.24509008 0.33347732 # 27 Pt27 0.34237909 0.21252529 0.34991057 # 28 Pt28 0.10472797 0.18811484 0.75816524 # 29 Pt29 0.75147140 0.59389552 0.02915396 # 30 Pt30 0.98458241 0.55236222 0.93767955 # 31 Pt31 0.00218685 0.18167512 0.97394551 # 32 Pt32 0.42249029 0.38301845 0.68312061 # 33 Pt33 0.13802417 0.28246024 0.99931284 # 34 Pt34 0.77428532 0.46169932 0.25634221 # 35 Pt35 0.70930032 0.26591774 0.53079205 # 36 Pt36 0.79088641 0.32628709 0.41694088 # 37 Pt37 0.20888749 0.35210704 0.40239673 # 38 Pt38 0.32215621 0.37495051 0.41390983 # 39 Pt39 0.71520451 0.80271960 0.92759301 # 40 Pt40 0.23065112 0.05938986 0.18816142 # 41 Pt41 0.22556597 0.01601056 0.39189931 # 42 Pt42 0.14026661 0.97237863 0.69353569 # 43 Pt43 0.32421349 0.74497462 0.61747475 # 44 Pt44 0.69364797 0.17026926 0.92512216 # 45 Pt45 0.56972280 0.16286824 0.01696686 # 46 Pt46 0.41645830 0.60004601 0.40683846 # 47 Pt47 0.27837870 0.04240230 0.17034508 # 48 Pt48 0.08626709 0.16020522 0.97351267 # 49 Pt49 0.82137098 0.87359981 0.83899926 # 50 Pt50 0.67920978 0.66281077 0.51395576 # 51 Pt51 0.49384071 0.28028326 0.21169981 # 52 Pt52 0.81022502 0.93557435 0.00159403 # 53 Pt53 0.55755447 0.31335862 0.54398794 # 54 Pt54 0.24561766 0.23054041 0.53204052 # 55 Pt55 0.32889518 0.20504238 0.51560099 # 56 Pt56 0.42528638 0.82446002 0.42060581 # 57 Pt57 0.53224288 0.80585456 0.01292714 # 58 Pt58 0.75270183 0.62442768 0.62411564 # 59 Pt59 0.25078876 0.62053903 0.27834233 # 60 Pt60 0.53659325 0.52883113 0.68534232 # 61 Pt61 0.52706288 0.16539099 0.81880496 # 62 Pt62 0.14185875 0.43116973 0.53109886 # 63 Pt63 0.25672474 0.99829685 0.59811941 # 64 Pt64 0.13369039 0.02878317 0.58559484 # 65 H65 0.34183711 0.02392685 0.01409925 # 66 H66 0.11836832 0.79708391 0.87569189 # 67 O67 0.00574373 0.59099899 0.34969240 # 68 O68 0.55715133 0.74776181 0.08233753 # 69 O69 0.16696075 0.39287395 0.88219269 # 70 S70