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 0.32958655 0.41357102 0.90084186 # 1 Pt1 0.28454018 0.52867283 0.85000322 # 2 Pt2 0.99722937 0.86173156 0.49272849 # 3 Pt3 0.26813068 0.52374897 0.77758365 # 4 Pt4 0.44208940 0.04265711 0.67794004 # 5 Pt5 0.95260147 0.99170302 0.06084333 # 6 Pt6 0.16170835 0.11280692 0.36930946 # 7 Pt7 0.55026283 0.94486127 0.62317674 # 8 Pt8 0.23319903 0.84550033 0.10572374 # 9 Pt9 0.19338053 0.15331577 0.82552333 # 10 Pt10 0.27900748 0.61134193 0.67731514 # 11 Pt11 0.30288478 0.36359293 0.33494474 # 12 Pt12 0.87574083 0.15094815 0.62929031 # 13 Pt13 0.15373397 0.51201686 0.62437579 # 14 Pt14 0.12581701 0.38337270 0.17281210 # 15 Pt15 0.50273340 0.70245803 0.65872011 # 16 Pt16 0.06963328 0.30123905 0.77245000 # 17 Pt17 0.16205822 0.01728793 0.21184433 # 18 Pt18 0.32618101 0.64202668 0.65893470 # 19 Pt19 0.69180530 0.30678170 0.08701568 # 20 Pt20 0.76248658 0.40174645 0.08631588 # 21 Pt21 0.03065568 0.58656854 0.05685683 # 22 Pt22 0.07230677 0.68443474 0.61678574 # 23 Pt23 0.98847576 0.84415853 0.43646220 # 24 Pt24 0.57351456 0.63077819 0.11804759 # 25 Pt25 0.96052706 0.70696902 0.63112206 # 26 Pt26 0.60816122 0.80623744 0.88534911 # 27 Pt27 0.99849463 0.39142018 0.42308542 # 28 Pt28 0.10876501 0.47138234 0.22185729 # 29 Pt29 0.64806069 0.26693525 0.57851042 # 30 Pt30 0.97853672 0.61484064 0.77307189 # 31 Pt31 0.08972891 0.06091745 0.04180134 # 32 Pt32 0.36538771 0.83393318 0.43421812 # 33 Pt33 0.48365015 0.00815067 0.36243619 # 34 Pt34 0.73737011 0.88969499 0.03280682 # 35 Pt35 0.04830194 0.43166079 0.44231750 # 36 Pt36 0.84272132 0.64118967 0.20530735 # 37 Pt37 0.85666746 0.94405892 0.61727318 # 38 Pt38 0.50712449 0.00916024 0.95155796 # 39 Pt39 0.98263448 0.33011986 0.93515500 # 40 Pt40 0.50627793 0.52489889 0.59457896 # 41 Pt41 0.89739453 0.60419086 0.28992489 # 42 Pt42 0.11871043 0.82376625 0.35052335 # 43 Pt43 0.78253025 0.14666139 0.85373924 # 44 Pt44 0.55638502 0.22431774 0.28976979 # 45 Pt45 0.58967404 0.77467995 0.41663278 # 46 Pt46 0.38947845 0.49791755 0.87486368 # 47 Pt47 0.77664872 0.41124453 0.09137105 # 48 Pt48 0.66520817 0.43971989 0.80139278 # 49 Pt49 0.26010324 0.35048894 0.98283122 # 50 Pt50 0.56408385 0.76948905 0.51853456 # 51 Pt51 0.89498886 0.36202392 0.03198255 # 52 Pt52 0.24038990 0.22949572 0.15372897 # 53 Pt53 0.92770035 0.21228916 0.72040518 # 54 Pt54 0.77508361 0.07815228 0.49127495 # 55 Pt55 0.72215827 0.49540843 0.19245082 # 56 Pt56 0.94831820 0.39624369 0.23609301 # 57 Pt57 0.54153459 0.07823962 0.06698271 # 58 Pt58 0.85341674 0.85385525 0.11287663 # 59 Pt59 0.73898156 0.06729824 0.99041454 # 60 Pt60 0.11920516 0.56027117 0.90487089 # 61 Pt61 0.72936836 0.56497169 0.46171501 # 62 Pt62 0.18159759 0.84397427 0.55916937 # 63 Pt63 0.46634082 0.60234124 0.08031990 # 64 Pt64 0.37213044 0.08839359 0.44266734 # 65 H65 0.35504320 0.33505005 0.00279257 # 66 H66 0.99364252 0.37602129 0.44289502 # 67 O67 0.35315417 0.07108474 0.86899275 # 68 O68 0.09423912 0.40804769 0.79873437 # 69 O69 0.83252648 0.16652095 0.02149200 # 70 S70