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 0.39403893 0.41154885 0.50314176 # 1 Pt1 0.94641945 0.89422121 0.79528265 # 2 Pt2 0.72315610 0.07297108 0.13010024 # 3 Pt3 0.67519630 0.53658633 0.70884269 # 4 Pt4 0.82301341 0.77526781 0.24092870 # 5 Pt5 0.65729355 0.20147479 0.15185164 # 6 Pt6 0.82409612 0.34812325 0.90085259 # 7 Pt7 0.37486138 0.22938733 0.08130933 # 8 Pt8 0.39137227 0.85446903 0.51800896 # 9 Pt9 0.66051156 0.07416614 0.22974862 # 10 Pt10 0.50222063 0.62631232 0.58003461 # 11 Pt11 0.36342163 0.25505757 0.05246360 # 12 Pt12 0.11391746 0.46625088 0.97270405 # 13 Pt13 0.49160694 0.25201980 0.58905863 # 14 Pt14 0.90525930 0.63659564 0.52619009 # 15 Pt15 0.48826585 0.36172154 0.94757639 # 16 Pt16 0.16452180 0.26195967 0.88731183 # 17 Pt17 0.48817711 0.12033383 0.21950075 # 18 Pt18 0.85265956 0.57526579 0.80893782 # 19 Pt19 0.30396273 0.82096361 0.12541126 # 20 Pt20 0.88298531 0.30612505 0.71830984 # 21 Pt21 0.23972519 0.99931106 0.83059038 # 22 Pt22 0.72973417 0.46330663 0.70905355 # 23 Pt23 0.34537484 0.56046677 0.10901033 # 24 Pt24 0.70826429 0.17433642 0.69086056 # 25 Pt25 0.19032052 0.10656385 0.52754292 # 26 Pt26 0.09710472 0.90769269 0.96987071 # 27 Pt27 0.02831826 0.11319676 0.65266629 # 28 Pt28 0.96061569 0.27916785 0.53277498 # 29 Pt29 0.76556378 0.74638605 0.18907151 # 30 Pt30 0.41513985 0.00896703 0.31844349 # 31 Pt31 0.86722231 0.68041365 0.69730142 # 32 Pt32 0.62479786 0.38733566 0.56253902 # 33 Pt33 0.03821530 0.37523908 0.08359974 # 34 Pt34 0.59235330 0.17445602 0.91108092 # 35 Pt35 0.83934729 0.25627359 0.25316563 # 36 Pt36 0.87080846 0.51212573 0.70980288 # 37 Pt37 0.87559724 0.72303028 0.82331860 # 38 Pt38 0.47677085 0.65652247 0.09016207 # 39 Pt39 0.14295443 0.02312506 0.06051264 # 40 Pt40 0.97936242 0.44129143 0.60392137 # 41 Pt41 0.37316659 0.62748320 0.41702015 # 42 Pt42 0.54014064 0.86667782 0.77997352 # 43 Pt43 0.54898924 0.00918378 0.76529208 # 44 Pt44 0.03150601 0.08135835 0.63405467 # 45 Pt45 0.19392348 0.84387003 0.50621329 # 46 Pt46 0.69554719 0.63699331 0.87600822 # 47 Pt47 0.94147650 0.59566706 0.84014351 # 48 Pt48 0.71089623 0.24698912 0.16218132 # 49 Pt49 0.97358309 0.38482234 0.41338085 # 50 Pt50 0.65140014 0.36270468 0.33906593 # 51 Pt51 0.86384144 0.04561417 0.18223655 # 52 Pt52 0.40554420 0.27195939 0.75551656 # 53 Pt53 0.12181627 0.64679272 0.45376595 # 54 Pt54 0.79640563 0.46227980 0.61035027 # 55 Pt55 0.19739011 0.99471084 0.81127535 # 56 Pt56 0.81262446 0.92808233 0.95562999 # 57 Pt57 0.54493972 0.43199528 0.25877116 # 58 Pt58 0.73899762 0.33571100 0.02182341 # 59 Pt59 0.01278299 0.34284095 0.41835677 # 60 Pt60 0.34479992 0.05472093 0.42379558 # 61 Pt61 0.63293252 0.77962030 0.48753577 # 62 Pt62 0.11401459 0.74305866 0.44718789 # 63 Pt63 0.81888014 0.33605167 0.80048252 # 64 Pt64 0.47712112 0.02251805 0.31156532 # 65 H65 0.03569387 0.69881654 0.47052075 # 66 H66 0.46837264 0.97935315 0.81268673 # 67 O67 0.21431630 0.49655961 0.63613254 # 68 O68 0.60601560 0.72606816 0.85844671 # 69 O69 0.94714921 0.77003277 0.41587081 # 70 S70