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 0.66755227 0.66789297 0.00556951 # 1 Pt1 0.41736509 0.91776448 0.00494962 # 2 Pt2 0.41778572 0.66760358 0.00543112 # 3 Pt3 0.16787784 0.91818295 0.00470474 # 4 Pt4 0.91797503 0.41733011 0.00552574 # 5 Pt5 0.91810846 0.16737877 0.00539045 # 6 Pt6 0.66781492 0.41720210 0.00630906 # 7 Pt7 0.16782775 0.16708496 0.00517583 # 8 Pt8 0.91780224 0.91821620 0.00584465 # 9 Pt9 0.91776709 0.66780190 0.00578298 # 10 Pt10 0.66781678 0.91812642 0.00611273 # 11 Pt11 0.16817688 0.66770145 0.00569731 # 12 Pt12 0.66763306 0.16800004 0.00723691 # 13 Pt13 0.41812006 0.41728705 0.00701069 # 14 Pt14 0.41811894 0.16785204 0.00629037 # 15 Pt15 0.16828547 0.41763744 0.00598631 # 16 Pt16 0.75082242 0.75161079 0.08473750 # 17 Pt17 0.75049624 0.50134154 0.08454070 # 18 Pt18 0.50044287 0.75149269 0.08418063 # 19 Pt19 0.00122006 0.50135389 0.08451297 # 20 Pt20 0.50071104 0.00180303 0.08462936 # 21 Pt21 0.25169702 0.25176791 0.08470207 # 22 Pt22 0.25041324 0.00178869 0.08427969 # 23 Pt23 0.00046255 0.25125291 0.08434643 # 24 Pt24 0.50063701 0.50062171 0.08621258 # 25 Pt25 0.25122006 0.75083052 0.08430666 # 26 Pt26 0.25183012 0.50093859 0.08608884 # 27 Pt27 0.00112800 0.75132554 0.08448503 # 28 Pt28 0.74958685 0.25185102 0.08614797 # 29 Pt29 0.75029818 0.00221393 0.08582359 # 30 Pt30 0.50058281 0.25250684 0.08771029 # 31 Pt31 0.00073457 0.00166599 0.08449797 # 32 Pt32 0.33374302 0.33733401 0.16573918 # 33 Pt33 0.08344258 0.58570263 0.16239602 # 34 Pt34 0.08429762 0.33488972 0.16171387 # 35 Pt35 0.83397412 0.58490858 0.16195590 # 36 Pt36 0.58373999 0.08628441 0.16429250 # 37 Pt37 0.58345733 0.83600649 0.16203261 # 38 Pt38 0.33388899 0.08651762 0.16207581 # 39 Pt39 0.83370666 0.83581578 0.16251998 # 40 Pt40 0.58348376 0.58575475 0.16237632 # 41 Pt41 0.57791633 0.33896398 0.16793125 # 42 Pt42 0.33376920 0.58492334 0.16488764 # 43 Pt43 0.83210064 0.33575308 0.16251102 # 44 Pt44 0.33294224 0.83618368 0.16167190 # 45 Pt45 0.08246882 0.08598322 0.16209393 # 46 Pt46 0.08309094 0.83617586 0.16186209 # 47 Pt47 0.83053868 0.08783339 0.16387220 # 48 Pt48 0.41281026 0.42241154 0.24849798 # 49 Pt49 0.41444439 0.16905327 0.24254073 # 50 Pt50 0.16298279 0.41977158 0.24145117 # 51 Pt51 0.66509929 0.17146018 0.24535388 # 52 Pt52 0.16199499 0.67438343 0.24114660 # 53 Pt53 0.91507519 0.92077821 0.24198303 # 54 Pt54 0.91494033 0.67058718 0.24133674 # 55 Pt55 0.66555613 0.92021038 0.24194571 # 56 Pt56 0.16584316 0.16937951 0.24123969 # 57 Pt57 0.91622068 0.41969240 0.24109704 # 58 Pt58 0.91644534 0.16994952 0.24184563 # 59 Pt59 0.66714450 0.42243801 0.24261280 # 60 Pt60 0.41610028 0.92060492 0.24119214 # 61 Pt61 0.41536210 0.67412140 0.24107167 # 62 Pt62 0.16525021 0.92105187 0.24141940 # 63 Pt63 0.66648438 0.67029466 0.24116395 # 64 Pt64 0.34544918 0.40200811 0.33136196 # 65 H65 0.59500987 0.27749774 0.29806343 # 66 H66 0.37513281 0.46282111 0.31864415 # 67 O67 0.54270152 0.39597175 0.42677519 # 68 O68 0.35876564 0.64263948 0.42229333 # 69 O69 0.40065963 0.49931445 0.41808852 # 70 S70