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 0.23292994 0.38864643 0.91742316 # 1 Pt1 0.85768396 0.75453012 0.46034459 # 2 Pt2 0.09743372 0.65394023 0.33334171 # 3 Pt3 0.08854960 0.04426758 0.75320176 # 4 Pt4 0.06461738 0.45887298 0.44201493 # 5 Pt5 0.35600932 0.56642281 0.04717704 # 6 Pt6 0.75661680 0.31215520 0.10708892 # 7 Pt7 0.26070669 0.41081915 0.28528334 # 8 Pt8 0.89655866 0.65961501 0.34628278 # 9 Pt9 0.58724332 0.11093929 0.19307417 # 10 Pt10 0.29321062 0.83835943 0.26295726 # 11 Pt11 0.29889658 0.01763927 0.07383158 # 12 Pt12 0.41209869 0.45132650 0.59439990 # 13 Pt13 0.13927927 0.25886037 0.41167642 # 14 Pt14 0.66999719 0.47771229 0.58976419 # 15 Pt15 0.96918869 0.67314434 0.20808011 # 16 Pt16 0.83148311 0.03527448 0.54385546 # 17 Pt17 0.48681430 0.90160101 0.86237702 # 18 Pt18 0.02587402 0.26634554 0.18943424 # 19 Pt19 0.51523574 0.89066742 0.39524344 # 20 Pt20 0.74349084 0.61040800 0.58772680 # 21 Pt21 0.91860522 0.36574023 0.25148154 # 22 Pt22 0.34565308 0.69363882 0.65198781 # 23 Pt23 0.42337666 0.60949295 0.55641016 # 24 Pt24 0.48390232 0.09925387 0.94508702 # 25 Pt25 0.34366593 0.70928303 0.56470196 # 26 Pt26 0.43410949 0.28169326 0.28208196 # 27 Pt27 0.53021993 0.77490798 0.24739740 # 28 Pt28 0.47264078 0.99791409 0.62462275 # 29 Pt29 0.46863078 0.31188467 0.68406394 # 30 Pt30 0.44431507 0.41869391 0.79241793 # 31 Pt31 0.27238406 0.78927683 0.36125200 # 32 Pt32 0.21375428 0.90675504 0.25136024 # 33 Pt33 0.49833895 0.06404316 0.52625094 # 34 Pt34 0.98384499 0.35090137 0.66039363 # 35 Pt35 0.53070394 0.15826361 0.62743795 # 36 Pt36 0.56702971 0.91081161 0.63992466 # 37 Pt37 0.59820402 0.71748590 0.96452345 # 38 Pt38 0.50019035 0.64475926 0.53628190 # 39 Pt39 0.71732085 0.98340725 0.52177107 # 40 Pt40 0.27824192 0.07818549 0.68875417 # 41 Pt41 0.19539257 0.33433237 0.60279853 # 42 Pt42 0.06450172 0.87419210 0.81356784 # 43 Pt43 0.51034517 0.03523098 0.29130692 # 44 Pt44 0.26691294 0.06795434 0.91705500 # 45 Pt45 0.98489727 0.76399617 0.51563840 # 46 Pt46 0.04631818 0.14907058 0.95028405 # 47 Pt47 0.87136873 0.32209090 0.12206493 # 48 Pt48 0.80583825 0.72692823 0.93530090 # 49 Pt49 0.15101591 0.34679337 0.42456823 # 50 Pt50 0.94932924 0.60721212 0.73796913 # 51 Pt51 0.09518404 0.12226293 0.03370931 # 52 Pt52 0.51337431 0.31628110 0.28814233 # 53 Pt53 0.57722917 0.28198677 0.35900927 # 54 Pt54 0.65203625 0.02211478 0.37340697 # 55 Pt55 0.32086584 0.05207726 0.74765963 # 56 Pt56 0.87273435 0.36019035 0.81007032 # 57 Pt57 0.27928303 0.17576734 0.56405979 # 58 Pt58 0.47033743 0.51975056 0.61425520 # 59 Pt59 0.32489594 0.27856841 0.40898624 # 60 Pt60 0.95522006 0.06498793 0.50167480 # 61 Pt61 0.64339601 0.82747306 0.27509149 # 62 Pt62 0.92167909 0.17996477 0.99972972 # 63 Pt63 0.40801567 0.82845957 0.43078353 # 64 Pt64 0.76290121 0.88632908 0.82310146 # 65 H65 0.77987724 0.33553147 0.97561752 # 66 H66 0.10120229 0.27098827 0.13899965 # 67 O67 0.51064517 0.47735461 0.76815049 # 68 O68 0.22688486 0.48817936 0.76485430 # 69 O69 0.86386976 0.24611530 0.76004117 # 70 S70