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 0.57651624 0.20609221 0.66716990 # 1 Pt1 0.57424655 0.46002501 0.82696970 # 2 Pt2 0.95493669 0.42033191 0.70669812 # 3 Pt3 0.84922008 0.93681812 0.53988211 # 4 Pt4 0.39986204 0.63555822 0.43977726 # 5 Pt5 0.65323124 0.04811725 0.96772078 # 6 Pt6 0.62349143 0.87695787 0.42332500 # 7 Pt7 0.44649515 0.03825605 0.58201438 # 8 Pt8 0.64377220 0.69065650 0.74314943 # 9 Pt9 0.69927023 0.27696231 0.27353156 # 10 Pt10 0.79952770 0.24944574 0.86999341 # 11 Pt11 0.88938106 0.98970533 0.81658218 # 12 Pt12 0.93465128 0.55397647 0.64323348 # 13 Pt13 0.63144876 0.75905871 0.06543678 # 14 Pt14 0.72240423 0.89403473 0.86582251 # 15 Pt15 0.82713874 0.21375726 0.64836940 # 16 Pt16 0.44052170 0.26827136 0.10218428 # 17 Pt17 0.75585301 0.21653122 0.22474116 # 18 Pt18 0.16734995 0.72691391 0.00281803 # 19 Pt19 0.06829999 0.51679487 0.42139984 # 20 Pt20 0.10583153 0.85035055 0.38648067 # 21 Pt21 0.22509646 0.85001321 0.66006794 # 22 Pt22 0.47026172 0.32219474 0.16438883 # 23 Pt23 0.05604510 0.93360975 0.90980597 # 24 Pt24 0.69329522 0.16295278 0.68386015 # 25 Pt25 0.21704952 0.61215104 0.99723612 # 26 Pt26 0.96844573 0.22219073 0.54420836 # 27 Pt27 0.19848569 0.84978435 0.54801770 # 28 Pt28 0.01988923 0.85722563 0.50738704 # 29 Pt29 0.16146536 0.40846866 0.16876507 # 30 Pt30 0.88855104 0.84126859 0.24615010 # 31 Pt31 0.10728588 0.63147305 0.60051489 # 32 Pt32 0.29744832 0.75255976 0.79943544 # 33 Pt33 0.09107946 0.70410151 0.71566275 # 34 Pt34 0.90794011 0.82780200 0.25283625 # 35 Pt35 0.40452969 0.04236057 0.07104074 # 36 Pt36 0.79269498 0.80993993 0.98531563 # 37 Pt37 0.42201079 0.79330434 0.14465900 # 38 Pt38 0.08921489 0.51144477 0.60062037 # 39 Pt39 0.47254518 0.73329173 0.95453827 # 40 Pt40 0.88765118 0.63448096 0.89494488 # 41 Pt41 0.48905794 0.22830646 0.33367174 # 42 Pt42 0.37771117 0.68865673 0.93127719 # 43 Pt43 0.00156726 0.20320256 0.59243927 # 44 Pt44 0.36781397 0.43296556 0.36836288 # 45 Pt45 0.76277488 0.11307957 0.66851824 # 46 Pt46 0.07213441 0.55665468 0.57352384 # 47 Pt47 0.58654529 0.40616848 0.87804683 # 48 Pt48 0.84766762 0.19302702 0.13137505 # 49 Pt49 0.61840988 0.11527632 0.97120080 # 50 Pt50 0.76758798 0.17571119 0.39329003 # 51 Pt51 0.04973429 0.69894552 0.73141401 # 52 Pt52 0.95096691 0.69181221 0.23309089 # 53 Pt53 0.65081461 0.94251792 0.64481620 # 54 Pt54 0.95615305 0.85030743 0.97064241 # 55 Pt55 0.09023626 0.70409017 0.96132816 # 56 Pt56 0.10904115 0.40985281 0.42879133 # 57 Pt57 0.67030608 0.82380902 0.07570559 # 58 Pt58 0.06962895 0.12180862 0.78955940 # 59 Pt59 0.47243696 0.75070580 0.08484528 # 60 Pt60 0.87818373 0.30833983 0.09026765 # 61 Pt61 0.94847610 0.72810095 0.23820502 # 62 Pt62 0.73809360 0.87856275 0.50819919 # 63 Pt63 0.99409571 0.55774098 0.21766853 # 64 Pt64 0.71639162 0.83240909 0.08562986 # 65 H65 0.12121013 0.30962364 0.90144404 # 66 H66 0.05742910 0.97872481 0.88710329 # 67 O67 0.38385224 0.78019969 0.98809145 # 68 O68 0.80796513 0.53932420 0.50254196 # 69 O69 0.36264521 0.57200810 0.37944995 # 70 S70