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 0.51093354 0.70332818 0.45034552 # 1 Pt1 0.07685125 0.68285518 0.48399917 # 2 Pt2 0.46823998 0.96792091 0.41240334 # 3 Pt3 0.76395718 0.95318118 0.38308851 # 4 Pt4 0.33515274 0.67868689 0.83950312 # 5 Pt5 0.67433154 0.03953166 0.34987249 # 6 Pt6 0.79599738 0.46915670 0.08000542 # 7 Pt7 0.62128898 0.88978670 0.75482444 # 8 Pt8 0.40201738 0.01751505 0.28635543 # 9 Pt9 0.54460159 0.40858017 0.97828494 # 10 Pt10 0.28025619 0.42843346 0.34587072 # 11 Pt11 0.33685085 0.50280474 0.93705965 # 12 Pt12 0.46812256 0.01658308 0.19903618 # 13 Pt13 0.48702466 0.28295970 0.88337435 # 14 Pt14 0.53720191 0.37389268 0.64860258 # 15 Pt15 0.75795727 0.96601039 0.41103692 # 16 Pt16 0.63227893 0.11335141 0.01270705 # 17 Pt17 0.18849113 0.80441963 0.95011315 # 18 Pt18 0.04247288 0.55394599 0.55436695 # 19 Pt19 0.85118932 0.65649282 0.42653281 # 20 Pt20 0.17999405 0.50107780 0.19149095 # 21 Pt21 0.38694939 0.40454493 0.87350048 # 22 Pt22 0.88893551 0.43181581 0.99730863 # 23 Pt23 0.36574149 0.24516743 0.09200248 # 24 Pt24 0.34601354 0.18601895 0.30032732 # 25 Pt25 0.62944061 0.72538097 0.96059326 # 26 Pt26 0.11629915 0.15314852 0.22766713 # 27 Pt27 0.53871929 0.10713451 0.44979804 # 28 Pt28 0.56261999 0.06048480 0.95795928 # 29 Pt29 0.29744342 0.44005376 0.12191373 # 30 Pt30 0.14826799 0.75511655 0.04869419 # 31 Pt31 0.27466161 0.73788398 0.66690867 # 32 Pt32 0.76590130 0.15629804 0.85551496 # 33 Pt33 0.50555561 0.52075849 0.00166831 # 34 Pt34 0.17697677 0.82241523 0.63601922 # 35 Pt35 0.85715240 0.20879434 0.95609063 # 36 Pt36 0.05582177 0.11262012 0.30832319 # 37 Pt37 0.70864090 0.42548845 0.75678010 # 38 Pt38 0.38703063 0.10800093 0.09318455 # 39 Pt39 0.86188086 0.88601508 0.51290694 # 40 Pt40 0.17147892 0.03369480 0.37544128 # 41 Pt41 0.55597567 0.20475710 0.14949762 # 42 Pt42 0.74483693 0.68318249 0.40672299 # 43 Pt43 0.23205292 0.97111502 0.06975609 # 44 Pt44 0.13749422 0.47547649 0.54977036 # 45 Pt45 0.28410933 0.74650949 0.05641187 # 46 Pt46 0.85753217 0.72204345 0.23207638 # 47 Pt47 0.01974217 0.50521711 0.51576163 # 48 Pt48 0.28707584 0.89061383 0.29422905 # 49 Pt49 0.83491150 0.80634253 0.88807844 # 50 Pt50 0.69849873 0.59531863 0.02993080 # 51 Pt51 0.96699609 0.28354529 0.13429081 # 52 Pt52 0.62639061 0.58452364 0.69878434 # 53 Pt53 0.23944592 0.43875497 0.78453192 # 54 Pt54 0.28366595 0.69820421 0.44907668 # 55 Pt55 0.35647347 0.65674946 0.24904053 # 56 Pt56 0.69891161 0.46746480 0.18227866 # 57 Pt57 0.61143162 0.10141756 0.49374013 # 58 Pt58 0.11923112 0.61330797 0.70851656 # 59 Pt59 0.76881487 0.82443424 0.44065268 # 60 Pt60 0.50582533 0.67115238 0.54883701 # 61 Pt61 0.67026975 0.16543777 0.22432605 # 62 Pt62 0.48056641 0.43018629 0.04373225 # 63 Pt63 0.22282679 0.48511036 0.86661792 # 64 Pt64 0.74973290 0.86435830 0.68423447 # 65 H65 0.29587663 0.07499304 0.17298831 # 66 H66 0.58459864 0.50868384 0.44859847 # 67 O67 0.96858041 0.25413774 0.92213902 # 68 O68 0.56887119 0.70856942 0.49762558 # 69 O69 0.38673233 0.76607288 0.11233892 # 70 S70