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 0.65201016 0.30907549 0.60382523 # 1 Pt1 0.84557437 0.83099781 0.16561132 # 2 Pt2 0.13909493 0.23349143 0.87587150 # 3 Pt3 0.29946093 0.10027480 0.71760958 # 4 Pt4 0.45510132 0.21671175 0.22029221 # 5 Pt5 0.75567037 0.82824327 0.04694476 # 6 Pt6 0.15274690 0.84978541 0.21168271 # 7 Pt7 0.86099944 0.38650493 0.16416353 # 8 Pt8 0.82584784 0.26316013 0.92952530 # 9 Pt9 0.40204458 0.79688676 0.72975235 # 10 Pt10 0.89429365 0.77461342 0.98045082 # 11 Pt11 0.73247850 0.12967591 0.70158124 # 12 Pt12 0.22632791 0.29944258 0.54762700 # 13 Pt13 0.53497331 0.71503285 0.94631961 # 14 Pt14 0.63338914 0.36360323 0.14527330 # 15 Pt15 0.01800821 0.29510171 0.09262440 # 16 Pt16 0.05287002 0.52844952 0.50984987 # 17 Pt17 0.79177243 0.91789060 0.90174335 # 18 Pt18 0.87124794 0.90181376 0.99656080 # 19 Pt19 0.00410845 0.18290186 0.11921239 # 20 Pt20 0.86247985 0.34541347 0.19013167 # 21 Pt21 0.94642657 0.54653183 0.71498607 # 22 Pt22 0.10949159 0.92216070 0.04931361 # 23 Pt23 0.19419347 0.60000672 0.63209910 # 24 Pt24 0.61975006 0.04961869 0.79720936 # 25 Pt25 0.61215005 0.19318938 0.51901295 # 26 Pt26 0.54350664 0.88888239 0.78993520 # 27 Pt27 0.08304317 0.57329108 0.27846178 # 28 Pt28 0.95681910 0.77912133 0.92987612 # 29 Pt29 0.24097114 0.45204456 0.42331871 # 30 Pt30 0.74980817 0.67057791 0.09607469 # 31 Pt31 0.48172821 0.01848153 0.95333182 # 32 Pt32 0.28805005 0.19188717 0.18724799 # 33 Pt33 0.11775150 0.07316048 0.28670900 # 34 Pt34 0.26354796 0.97061322 0.05850128 # 35 Pt35 0.87677074 0.93096411 0.76815434 # 36 Pt36 0.29546968 0.51321663 0.45879745 # 37 Pt37 0.30827349 0.90484288 0.14791007 # 38 Pt38 0.80645183 0.20427808 0.98712340 # 39 Pt39 0.32213079 0.91297750 0.80340458 # 40 Pt40 0.33583333 0.50696302 0.41913779 # 41 Pt41 0.08872217 0.02528573 0.54459193 # 42 Pt42 0.79368730 0.87802697 0.15113617 # 43 Pt43 0.45480625 0.69712426 0.35534168 # 44 Pt44 0.04857127 0.91012160 0.22895064 # 45 Pt45 0.38614960 0.40631427 0.22580798 # 46 Pt46 0.66797177 0.37015531 0.38994283 # 47 Pt47 0.33895133 0.42549903 0.09557134 # 48 Pt48 0.48766707 0.25944776 0.84581722 # 49 Pt49 0.54648252 0.20287775 0.90426747 # 50 Pt50 0.05288756 0.80897340 0.12984547 # 51 Pt51 0.65169157 0.49483526 0.29931386 # 52 Pt52 0.40666518 0.15734706 0.78386959 # 53 Pt53 0.29410417 0.84288391 0.29239196 # 54 Pt54 0.76403662 0.20524447 0.62545187 # 55 Pt55 0.16402153 0.87449116 0.75134181 # 56 Pt56 0.16196020 0.03343478 0.53355080 # 57 Pt57 0.61328612 0.80288965 0.92923455 # 58 Pt58 0.38730484 0.94300773 0.74906530 # 59 Pt59 0.84318652 0.11635621 0.69388644 # 60 Pt60 0.60985190 0.16663841 0.77485751 # 61 Pt61 0.97437417 0.81902636 0.21496393 # 62 Pt62 0.76387475 0.14655603 0.94945778 # 63 Pt63 0.97487447 0.91645002 0.45068708 # 64 Pt64 0.01077106 0.74640815 0.76247233 # 65 H65 0.46755319 0.22099530 0.10825331 # 66 H66 0.12308488 0.04270874 0.45808636 # 67 O67 0.41382616 0.39527785 0.71570547 # 68 O68 0.54379413 0.16880902 0.91329215 # 69 O69 0.71659561 0.54991598 0.61663247 # 70 S70