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 0.80909112 0.27617379 0.39936237 # 1 Pt1 0.42474539 0.68976479 0.40425674 # 2 Pt2 0.10993475 0.51751266 0.73213288 # 3 Pt3 0.14836633 0.51348944 0.03155235 # 4 Pt4 0.51443549 0.30544198 0.41560501 # 5 Pt5 0.44110307 0.99093320 0.84383600 # 6 Pt6 0.14462060 0.81156277 0.78280119 # 7 Pt7 0.66741706 0.27199022 0.79722946 # 8 Pt8 0.53973909 0.67816815 0.58199593 # 9 Pt9 0.97666110 0.44605100 0.62425042 # 10 Pt10 0.39838885 0.01061523 0.99858869 # 11 Pt11 0.39627085 0.54899160 0.65417482 # 12 Pt12 0.04042378 0.60150746 0.55546992 # 13 Pt13 0.92615539 0.77489163 0.26836023 # 14 Pt14 0.96135861 0.39770244 0.17698320 # 15 Pt15 0.05626591 0.39736987 0.51847481 # 16 Pt16 0.38066091 0.52811171 0.58737092 # 17 Pt17 0.32193694 0.63566072 0.17524768 # 18 Pt18 0.13310067 0.08780961 0.57425863 # 19 Pt19 0.51873501 0.88185186 0.51709389 # 20 Pt20 0.28194238 0.97987104 0.65343429 # 21 Pt21 0.76287723 0.23101194 0.41736604 # 22 Pt22 0.70053503 0.72682532 0.12215019 # 23 Pt23 0.82048370 0.60109830 0.92066121 # 24 Pt24 0.92568283 0.84666762 0.24575487 # 25 Pt25 0.46706125 0.43487209 0.30275574 # 26 Pt26 0.08058511 0.43224061 0.58731521 # 27 Pt27 0.56352211 0.96901388 0.88803231 # 28 Pt28 0.69370920 0.36006057 0.89419980 # 29 Pt29 0.06451384 0.62492525 0.97181068 # 30 Pt30 0.50343158 0.33521821 0.79530364 # 31 Pt31 0.42358686 0.06059071 0.96296626 # 32 Pt32 0.34082396 0.11484079 0.09337138 # 33 Pt33 0.56312283 0.59813692 0.21425355 # 34 Pt34 0.92192813 0.78878583 0.03541449 # 35 Pt35 0.14801230 0.09823475 0.73475364 # 36 Pt36 0.49789756 0.25603570 0.12440098 # 37 Pt37 0.92486849 0.39928666 0.46485855 # 38 Pt38 0.39409856 0.72527159 0.92368472 # 39 Pt39 0.45168788 0.12830541 0.87885477 # 40 Pt40 0.93030843 0.37773864 0.04023172 # 41 Pt41 0.44876500 0.45795650 0.19754782 # 42 Pt42 0.07398385 0.69470026 0.84979286 # 43 Pt43 0.41892161 0.67472556 0.77992002 # 44 Pt44 0.97220873 0.15241340 0.05762358 # 45 Pt45 0.80388415 0.79272635 0.72697962 # 46 Pt46 0.64483534 0.86948364 0.52237859 # 47 Pt47 0.54099109 0.03559478 0.28454484 # 48 Pt48 0.49221278 0.61113219 0.38447640 # 49 Pt49 0.21764837 0.59913031 0.70948089 # 50 Pt50 0.33824305 0.30679682 0.93376076 # 51 Pt51 0.64613729 0.83178762 0.66997799 # 52 Pt52 0.29684896 0.70667295 0.37859481 # 53 Pt53 0.16944086 0.36945009 0.02521557 # 54 Pt54 0.01343687 0.31515315 0.21251508 # 55 Pt55 0.34567725 0.98615629 0.56106217 # 56 Pt56 0.38407827 0.60092014 0.72161332 # 57 Pt57 0.57219626 0.30087167 0.35104803 # 58 Pt58 0.40645995 0.76873015 0.51647679 # 59 Pt59 0.26026303 0.02713707 0.65139293 # 60 Pt60 0.48968606 0.31640131 0.53011671 # 61 Pt61 0.97898724 0.45940716 0.18119804 # 62 Pt62 0.05653595 0.49443609 0.27395559 # 63 Pt63 0.59659759 0.89854245 0.76775171 # 64 Pt64 0.40661154 0.02871856 0.06250443 # 65 H65 0.44634946 0.27026977 0.30781432 # 66 H66 0.01403406 0.41575664 0.14686162 # 67 O67 0.57302286 0.19231013 0.40005196 # 68 O68 0.32961511 0.52445946 0.56515470 # 69 O69 0.10976098 0.68776496 0.46237974 # 70 S70