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 0.85091284 0.87973485 0.09221989 # 1 Pt1 0.39151725 0.55274346 0.15944287 # 2 Pt2 0.71721390 0.85473625 0.41186746 # 3 Pt3 0.57654426 0.71773346 0.18594865 # 4 Pt4 0.29435730 0.56142804 0.28455534 # 5 Pt5 0.42740925 0.84408580 0.27658371 # 6 Pt6 0.31952522 0.13333525 0.48515059 # 7 Pt7 0.72646515 0.55334230 0.03638718 # 8 Pt8 0.09987399 0.07381539 0.70000427 # 9 Pt9 0.53438089 0.00035245 0.26947409 # 10 Pt10 0.92681482 0.27591592 0.22565635 # 11 Pt11 0.18197633 0.77178380 0.49432780 # 12 Pt12 0.52340702 0.94575807 0.83784902 # 13 Pt13 0.50572510 0.26679904 0.30540811 # 14 Pt14 0.56787130 0.40738199 0.24130283 # 15 Pt15 0.69734501 0.09532959 0.34539553 # 16 Pt16 0.50902328 0.38259185 0.17170242 # 17 Pt17 0.31854021 0.47583085 0.08989886 # 18 Pt18 0.77009752 0.37574593 0.59260048 # 19 Pt19 0.95024001 0.44356944 0.33501877 # 20 Pt20 0.38996641 0.23083615 0.85819454 # 21 Pt21 0.69853093 0.45136248 0.25264110 # 22 Pt22 0.89032532 0.90502620 0.82837483 # 23 Pt23 0.59681680 0.11792178 0.51179249 # 24 Pt24 0.99784741 0.53484250 0.84871584 # 25 Pt25 0.94484661 0.31947663 0.34986058 # 26 Pt26 0.88329594 0.53380798 0.81587337 # 27 Pt27 0.13990028 0.86393749 0.02262989 # 28 Pt28 0.93888580 0.50998173 0.41032069 # 29 Pt29 0.48572009 0.22999888 0.19737555 # 30 Pt30 0.70443096 0.65454649 0.39856511 # 31 Pt31 0.38236700 0.63316085 0.85655102 # 32 Pt32 0.80461246 0.81167032 0.01874008 # 33 Pt33 0.24873152 0.03639911 0.52702886 # 34 Pt34 0.54197221 0.69706957 0.25246535 # 35 Pt35 0.17040704 0.63933322 0.51135568 # 36 Pt36 0.90929131 0.14803622 0.47233799 # 37 Pt37 0.06482057 0.56289363 0.55132826 # 38 Pt38 0.69602775 0.27044769 0.73199988 # 39 Pt39 0.48026604 0.09276841 0.88735291 # 40 Pt40 0.85917038 0.84868985 0.33213503 # 41 Pt41 0.98973140 0.87369553 0.08696014 # 42 Pt42 0.97093674 0.70183776 0.41107479 # 43 Pt43 0.01370666 0.35381991 0.85653115 # 44 Pt44 0.39526857 0.37958808 0.73036419 # 45 Pt45 0.21666150 0.70190779 0.85604954 # 46 Pt46 0.77589675 0.46074909 0.99383106 # 47 Pt47 0.92593802 0.73616434 0.15939835 # 48 Pt48 0.17510202 0.92685092 0.77956782 # 49 Pt49 0.26851951 0.00583257 0.07645035 # 50 Pt50 0.59296131 0.65669346 0.15013171 # 51 Pt51 0.78533560 0.47563347 0.04239343 # 52 Pt52 0.11808109 0.86221349 0.30200909 # 53 Pt53 0.49605748 0.49910867 0.49503667 # 54 Pt54 0.50644075 0.68063556 0.96295106 # 55 Pt55 0.16196114 0.50578649 0.74447986 # 56 Pt56 0.92651664 0.15581522 0.99750796 # 57 Pt57 0.82304978 0.83164215 0.26020652 # 58 Pt58 0.17138576 0.95154778 0.77039939 # 59 Pt59 0.97618693 0.32198844 0.70336269 # 60 Pt60 0.35592873 0.48635507 0.32612518 # 61 Pt61 0.03625471 0.66670521 0.34729797 # 62 Pt62 0.14005746 0.58884263 0.47641866 # 63 Pt63 0.32720587 0.89539233 0.79251522 # 64 Pt64 0.15087338 0.18705693 0.07082325 # 65 H65 0.87385346 0.95242605 0.23439600 # 66 H66 0.11453977 0.13977089 0.13759719 # 67 O67 0.09881065 0.91789215 0.03710933 # 68 O68 0.85467838 0.30922938 0.04806193 # 69 O69 0.46068719 0.53577927 0.59720063 # 70 S70