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 0.65307115 0.30848835 0.60307914 # 1 Pt1 0.84561600 0.83135877 0.16592735 # 2 Pt2 0.13985283 0.23095713 0.87440025 # 3 Pt3 0.29847937 0.10071690 0.71668593 # 4 Pt4 0.45624304 0.21645069 0.22004424 # 5 Pt5 0.75594776 0.82637595 0.04634276 # 6 Pt6 0.15437903 0.84861489 0.21406705 # 7 Pt7 0.86049554 0.38542055 0.16333813 # 8 Pt8 0.82723806 0.26355942 0.93059710 # 9 Pt9 0.40215836 0.79618479 0.72997041 # 10 Pt10 0.89505137 0.77561970 0.98050165 # 11 Pt11 0.73407865 0.12862049 0.70107362 # 12 Pt12 0.22697241 0.30003038 0.54920854 # 13 Pt13 0.53479397 0.71310286 0.94807688 # 14 Pt14 0.63453777 0.36335640 0.14514253 # 15 Pt15 0.01767369 0.29522463 0.09331440 # 16 Pt16 0.05328421 0.52765917 0.51081010 # 17 Pt17 0.79259098 0.91796691 0.90209572 # 18 Pt18 0.87048742 0.90065385 0.99615806 # 19 Pt19 0.00447427 0.18169281 0.11803334 # 20 Pt20 0.86315830 0.34693134 0.19134568 # 21 Pt21 0.94743477 0.54788540 0.71633497 # 22 Pt22 0.10869298 0.92374623 0.04839488 # 23 Pt23 0.19402764 0.59886231 0.63090665 # 24 Pt24 0.62133024 0.04744080 0.79878678 # 25 Pt25 0.61284913 0.19243221 0.51826263 # 26 Pt26 0.54445163 0.88881208 0.79172676 # 27 Pt27 0.08317822 0.57223182 0.27853909 # 28 Pt28 0.95485683 0.78216232 0.93156871 # 29 Pt29 0.23966638 0.45242740 0.42314384 # 30 Pt30 0.74981908 0.67179130 0.09934763 # 31 Pt31 0.48041683 0.01896802 0.95321998 # 32 Pt32 0.28559906 0.19705790 0.19260405 # 33 Pt33 0.11806890 0.07289693 0.28689169 # 34 Pt34 0.26387227 0.97178765 0.05673738 # 35 Pt35 0.87788836 0.93216466 0.76771560 # 36 Pt36 0.28956643 0.51326713 0.45798629 # 37 Pt37 0.30807836 0.90422254 0.14642320 # 38 Pt38 0.80540266 0.20562230 0.98830753 # 39 Pt39 0.32102654 0.91275488 0.80475488 # 40 Pt40 0.33531041 0.51046309 0.41836414 # 41 Pt41 0.07724587 0.03725371 0.55274600 # 42 Pt42 0.79293079 0.88055552 0.15513540 # 43 Pt43 0.45134633 0.69847863 0.35756016 # 44 Pt44 0.04645585 0.91351527 0.22806242 # 45 Pt45 0.38527208 0.40659575 0.22613785 # 46 Pt46 0.66646525 0.37242910 0.39025800 # 47 Pt47 0.34187827 0.42483741 0.09396008 # 48 Pt48 0.47884484 0.26696613 0.87423634 # 49 Pt49 0.53934532 0.20705059 0.90512168 # 50 Pt50 0.04736417 0.81119535 0.12916561 # 51 Pt51 0.64311309 0.50854240 0.29751077 # 52 Pt52 0.39536573 0.17239828 0.78338647 # 53 Pt53 0.29944416 0.83742841 0.29287679 # 54 Pt54 0.76218130 0.20688802 0.62474003 # 55 Pt55 0.16169625 0.87198443 0.75238992 # 56 Pt56 0.16133114 0.03282109 0.53390663 # 57 Pt57 0.61239154 0.80449052 0.92991708 # 58 Pt58 0.38895815 0.94740725 0.75054958 # 59 Pt59 0.84167638 0.11882648 0.69620265 # 60 Pt60 0.60763349 0.16938409 0.77564855 # 61 Pt61 0.97225104 0.82730062 0.21509640 # 62 Pt62 0.76105233 0.15147841 0.94989185 # 63 Pt63 0.97412572 0.92060496 0.44969211 # 64 Pt64 0.99544014 0.73865755 0.75684792 # 65 H65 0.49034146 0.19036787 0.09761924 # 66 H66 0.19908314 0.97118484 0.41046197 # 67 O67 0.40794437 0.39525357 0.71073219 # 68 O68 0.54123841 0.17840578 0.91438130 # 69 O69 0.71745127 0.56368568 0.62004650 # 70 S70