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 0.81058027 0.27739734 0.40089456 # 1 Pt1 0.42538184 0.68951572 0.40207919 # 2 Pt2 0.11127689 0.51762261 0.73244865 # 3 Pt3 0.14808750 0.51531157 0.03234111 # 4 Pt4 0.51584922 0.30536564 0.41484170 # 5 Pt5 0.43897950 0.99116111 0.84399033 # 6 Pt6 0.14574807 0.81278615 0.78153555 # 7 Pt7 0.66562393 0.27041210 0.79851459 # 8 Pt8 0.53780923 0.67873400 0.58048675 # 9 Pt9 0.97457437 0.44685507 0.62312311 # 10 Pt10 0.39754131 0.01236749 0.99909234 # 11 Pt11 0.39440445 0.54790607 0.65461968 # 12 Pt12 0.04131182 0.60057624 0.55770742 # 13 Pt13 0.92808025 0.77622549 0.26994991 # 14 Pt14 0.96175874 0.39635675 0.17907074 # 15 Pt15 0.05779720 0.39740512 0.51959914 # 16 Pt16 0.37951674 0.52949735 0.58790153 # 17 Pt17 0.32382983 0.63529893 0.17473445 # 18 Pt18 0.13329411 0.08653963 0.57260008 # 19 Pt19 0.52077596 0.87990347 0.51804780 # 20 Pt20 0.28088983 0.97927229 0.65308198 # 21 Pt21 0.76263715 0.23201680 0.41747295 # 22 Pt22 0.70105847 0.72511044 0.12401346 # 23 Pt23 0.82105903 0.60250358 0.91860571 # 24 Pt24 0.92450659 0.84636651 0.24462477 # 25 Pt25 0.46549432 0.43345584 0.30150089 # 26 Pt26 0.08103999 0.43161121 0.58925259 # 27 Pt27 0.56547764 0.96809668 0.88930909 # 28 Pt28 0.69413378 0.35829256 0.89353028 # 29 Pt29 0.06263060 0.62647213 0.97029782 # 30 Pt30 0.50293896 0.33612946 0.79455011 # 31 Pt31 0.42203128 0.06199272 0.96331171 # 32 Pt32 0.34172173 0.11593878 0.09532657 # 33 Pt33 0.56176338 0.60051349 0.21600176 # 34 Pt34 0.91959774 0.78991657 0.03708964 # 35 Pt35 0.14972218 0.09979620 0.73646772 # 36 Pt36 0.49681413 0.25534984 0.12326111 # 37 Pt37 0.92422610 0.40134896 0.46556977 # 38 Pt38 0.39315140 0.72455865 0.92535806 # 39 Pt39 0.45019436 0.12739462 0.87932407 # 40 Pt40 0.93131968 0.37774151 0.04039751 # 41 Pt41 0.44921921 0.45727672 0.19664830 # 42 Pt42 0.07509587 0.69687706 0.84980050 # 43 Pt43 0.41871162 0.67474114 0.78109400 # 44 Pt44 0.97320675 0.15316718 0.05909101 # 45 Pt45 0.80420121 0.79201033 0.72803679 # 46 Pt46 0.64300713 0.87198237 0.52141786 # 47 Pt47 0.53971210 0.03364250 0.28534581 # 48 Pt48 0.49215575 0.61288461 0.38625998 # 49 Pt49 0.21709844 0.59926246 0.70989603 # 50 Pt50 0.33603479 0.30770337 0.93278808 # 51 Pt51 0.64511518 0.83415574 0.66958050 # 52 Pt52 0.29531409 0.70761874 0.38021255 # 53 Pt53 0.16807195 0.36868229 0.02528147 # 54 Pt54 0.01198570 0.31428687 0.21383560 # 55 Pt55 0.34457607 0.98624266 0.56129408 # 56 Pt56 0.38306852 0.59881578 0.72238246 # 57 Pt57 0.57254288 0.30306513 0.34928109 # 58 Pt58 0.40689013 0.76991516 0.51527260 # 59 Pt59 0.25978242 0.02911082 0.65266801 # 60 Pt60 0.48797078 0.31689937 0.53018585 # 61 Pt61 0.97931198 0.46088328 0.18031760 # 62 Pt62 0.05701412 0.49529713 0.27484332 # 63 Pt63 0.59624056 0.89738707 0.76867351 # 64 Pt64 0.40041592 0.04886064 0.05641085 # 65 H65 0.45446598 0.26152527 0.29951148 # 66 H66 0.01951575 0.39546294 0.14816415 # 67 O67 0.55896626 0.19905230 0.39709236 # 68 O68 0.33841021 0.50583112 0.56209561 # 69 O69 0.11199995 0.69900924 0.46340242 # 70 S70