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 0.53719828 0.88279650 0.12473161 # 1 Pt1 0.76818715 0.55690811 0.42451358 # 2 Pt2 0.71390726 0.67002016 0.83161017 # 3 Pt3 0.00530885 0.41708278 0.43597690 # 4 Pt4 0.17722231 0.32641239 0.07388645 # 5 Pt5 0.52199655 0.06183601 0.90333011 # 6 Pt6 0.76248929 0.41497299 0.02317047 # 7 Pt7 0.82917842 0.49102202 0.41428963 # 8 Pt8 0.63878436 0.91604586 0.87764294 # 9 Pt9 0.98350210 0.84076351 0.08166672 # 10 Pt10 0.02462289 0.79548483 0.20517682 # 11 Pt11 0.46158439 0.12423111 0.81732930 # 12 Pt12 0.54029857 0.09716997 0.42070007 # 13 Pt13 0.81088793 0.44414164 0.67583010 # 14 Pt14 0.13658451 0.71524601 0.05926126 # 15 Pt15 0.70562226 0.42705094 0.99647785 # 16 Pt16 0.88961872 0.15634909 0.83312451 # 17 Pt17 0.29904115 0.40883314 0.88526413 # 18 Pt18 0.26540676 0.50730633 0.82093323 # 19 Pt19 0.48545691 0.97665247 0.97760837 # 20 Pt20 0.85186605 0.69673473 0.48962444 # 21 Pt21 0.59689668 0.64792848 0.41270487 # 22 Pt22 0.05236320 0.89052268 0.03250192 # 23 Pt23 0.19547022 0.23056296 0.97497569 # 24 Pt24 0.41934639 0.67400874 0.40441213 # 25 Pt25 0.66016320 0.89163903 0.68681667 # 26 Pt26 0.39552860 0.08918611 0.31206011 # 27 Pt27 0.50763617 0.52814371 0.48899850 # 28 Pt28 0.14393145 0.37337338 0.39700662 # 29 Pt29 0.23822060 0.36806098 0.19868905 # 30 Pt30 0.29636317 0.73906146 0.12012799 # 31 Pt31 0.67598689 0.71647630 0.16412615 # 32 Pt32 0.00172496 0.68903977 0.88902785 # 33 Pt33 0.15089038 0.57603429 0.02723055 # 34 Pt34 0.98472349 0.29504246 0.88250932 # 35 Pt35 0.95205212 0.83727847 0.57424024 # 36 Pt36 0.92616818 0.04636036 0.42952845 # 37 Pt37 0.62654224 0.35731150 0.87189794 # 38 Pt38 0.07706612 0.36662583 0.74220340 # 39 Pt39 0.82927504 0.56647597 0.12323305 # 40 Pt40 0.28364604 0.25090054 0.98245024 # 41 Pt41 0.65192454 0.03462313 0.48905769 # 42 Pt42 0.88563502 0.19796851 0.84141254 # 43 Pt43 0.35393629 0.62041490 0.25636130 # 44 Pt44 0.54650434 0.27297580 0.80536051 # 45 Pt45 0.04011994 0.34471706 0.25568753 # 46 Pt46 0.92103150 0.82870618 0.13871028 # 47 Pt47 0.96462285 0.07066962 0.60594927 # 48 Pt48 0.78865861 0.46994675 0.58540267 # 49 Pt49 0.95914617 0.82286740 0.77357363 # 50 Pt50 0.82292505 0.59866339 0.33107747 # 51 Pt51 0.27367895 0.33963951 0.77752217 # 52 Pt52 0.18825348 0.35763152 0.96966888 # 53 Pt53 0.37339378 0.01844164 0.04159236 # 54 Pt54 0.47134815 0.68192116 0.79898888 # 55 Pt55 0.75820177 0.02350507 0.62832805 # 56 Pt56 0.82252333 0.60770394 0.04144354 # 57 Pt57 0.50156694 0.26007821 0.49333268 # 58 Pt58 0.37473057 0.27827224 0.88859505 # 59 Pt59 0.49736562 0.59363749 0.81550178 # 60 Pt60 0.70122132 0.37574909 0.56129675 # 61 Pt61 0.93963449 0.84270019 0.68641980 # 62 Pt62 0.21003450 0.68470472 0.68474263 # 63 Pt63 0.30151069 0.17880135 0.17445517 # 64 Pt64 0.31517888 0.82536008 0.13210029 # 65 H65 0.69986418 0.96082584 0.98643315 # 66 H66 0.85130317 0.68993397 0.82548381 # 67 O67 0.99508351 0.00994216 0.72238389 # 68 O68 0.12216035 0.75891680 0.86502369 # 69 O69 0.66319398 0.03383410 0.88001522 # 70 S70