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 0.45902167 0.20559334 0.35194178 # 1 Pt1 0.41344521 0.84493133 0.36416359 # 2 Pt2 0.43113104 0.03707934 0.29865089 # 3 Pt3 0.28172592 0.13826846 0.49059645 # 4 Pt4 0.75008004 0.39943562 0.51583976 # 5 Pt5 0.61619433 0.17726665 0.88659986 # 6 Pt6 0.87752166 0.11949731 0.77186815 # 7 Pt7 0.95875377 0.63774252 0.67305436 # 8 Pt8 0.76480222 0.96874234 0.53648442 # 9 Pt9 0.31542274 0.35602325 0.88240240 # 10 Pt10 0.88178621 0.14950926 0.32253697 # 11 Pt11 0.84379334 0.79635985 0.85877939 # 12 Pt12 0.98509269 0.61946836 0.04263586 # 13 Pt13 0.53794662 0.22025359 0.20544143 # 14 Pt14 0.39205126 0.30716487 0.95583788 # 15 Pt15 0.60750562 0.78282563 0.75220934 # 16 Pt16 0.33770269 0.32977845 0.92245096 # 17 Pt17 0.43698280 0.85282341 0.14555054 # 18 Pt18 0.77991687 0.93141058 0.35459726 # 19 Pt19 0.33759605 0.54292020 0.45992316 # 20 Pt20 0.82391541 0.57241414 0.44457478 # 21 Pt21 0.11523213 0.55680658 0.96841920 # 22 Pt22 0.40517925 0.11008857 0.01610608 # 23 Pt23 0.64845477 0.10375790 0.48147900 # 24 Pt24 0.25731173 0.74490501 0.46678621 # 25 Pt25 0.52821934 0.74041517 0.28395647 # 26 Pt26 0.08346448 0.32468761 0.66394985 # 27 Pt27 0.33448283 0.79511521 0.76202411 # 28 Pt28 0.17504546 0.55459795 0.97142964 # 29 Pt29 0.94956732 0.61360570 0.08206632 # 30 Pt30 0.32733821 0.55775957 0.51046576 # 31 Pt31 0.01751629 0.69860146 0.54421614 # 32 Pt32 0.36845426 0.74060807 0.09570776 # 33 Pt33 0.98246618 0.89684411 0.12230481 # 34 Pt34 0.10320780 0.81102509 0.49594550 # 35 Pt35 0.92812155 0.29660304 0.83713432 # 36 Pt36 0.86823843 0.35625398 0.78134877 # 37 Pt37 0.67048045 0.73671142 0.90536617 # 38 Pt38 0.19386574 0.20397478 0.50712124 # 39 Pt39 0.96019925 0.85879291 0.09923532 # 40 Pt40 0.35133872 0.44229001 0.92932039 # 41 Pt41 0.55153425 0.22884759 0.38346438 # 42 Pt42 0.83346595 0.28386090 0.87028205 # 43 Pt43 0.69314906 0.48798659 0.64687173 # 44 Pt44 0.01227266 0.73636457 0.91339708 # 45 Pt45 0.34682189 0.39912586 0.21334168 # 46 Pt46 0.45627925 0.80243009 0.91611351 # 47 Pt47 0.33341612 0.61749091 0.60311850 # 48 Pt48 0.41951140 0.81349236 0.89839528 # 49 Pt49 0.42681811 0.87508721 0.35961675 # 50 Pt50 0.06484863 0.01507298 0.76306747 # 51 Pt51 0.04066365 0.83244209 0.92659894 # 52 Pt52 0.13135323 0.75149620 0.09624188 # 53 Pt53 0.68863520 0.16112671 0.40465285 # 54 Pt54 0.06485034 0.12408818 0.37696409 # 55 Pt55 0.57454380 0.91521287 0.01496897 # 56 Pt56 0.75551520 0.40991311 0.92063691 # 57 Pt57 0.18337196 0.12972895 0.34670468 # 58 Pt58 0.55686144 0.82711632 0.30239725 # 59 Pt59 0.06460593 0.65653130 0.13121349 # 60 Pt60 0.22314732 0.95414585 0.76221684 # 61 Pt61 0.42418974 0.21650283 0.42856852 # 62 Pt62 0.94813762 0.14180281 0.54701446 # 63 Pt63 0.00261735 0.15877788 0.98789041 # 64 Pt64 0.70983215 0.55603920 0.20428109 # 65 H65 0.80797950 0.04047279 0.16915119 # 66 H66 0.57586352 0.49483071 0.90253745 # 67 O67 0.73155062 0.53634516 0.64300168 # 68 O68 0.90723881 0.62934702 0.68585138 # 69 O69 0.58956771 0.68951878 0.02494131 # 70 S70