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 0.83749001 0.41969429 0.88210240 # 1 Pt1 0.55062349 0.12139779 0.78458332 # 2 Pt2 0.37985255 0.17041843 0.08613320 # 3 Pt3 0.20700391 0.92839173 0.07350278 # 4 Pt4 0.09246487 0.87929313 0.52576840 # 5 Pt5 0.96220938 0.30314881 0.08127944 # 6 Pt6 0.89251587 0.33676496 0.57569679 # 7 Pt7 0.87601420 0.48844603 0.13477387 # 8 Pt8 0.22636384 0.61479245 0.89378990 # 9 Pt9 0.30845012 0.96925302 0.97708602 # 10 Pt10 0.40630280 0.45027475 0.41891703 # 11 Pt11 0.94306386 0.23797029 0.03335016 # 12 Pt12 0.61971640 0.79015234 0.60414139 # 13 Pt13 0.59321539 0.94882767 0.52821103 # 14 Pt14 0.88643654 0.65966026 0.68893373 # 15 Pt15 0.26982554 0.88140379 0.78110955 # 16 Pt16 0.46409397 0.32120472 0.83042244 # 17 Pt17 0.03327600 0.82892374 0.54145786 # 18 Pt18 0.95716359 0.87556169 0.31594838 # 19 Pt19 0.92460584 0.81368424 0.14222122 # 20 Pt20 0.61097755 0.00001410 0.17562168 # 21 Pt21 0.55530957 0.42909232 0.50086280 # 22 Pt22 0.03495564 0.25753485 0.33237627 # 23 Pt23 0.72223714 0.35712641 0.75739765 # 24 Pt24 0.60411529 0.48199588 0.74598099 # 25 Pt25 0.73247932 0.76889145 0.99740246 # 26 Pt26 0.00896895 0.12860746 0.60078054 # 27 Pt27 0.40426582 0.02194989 0.80024852 # 28 Pt28 0.88368606 0.57805279 0.53321568 # 29 Pt29 0.53486843 0.11260928 0.70970910 # 30 Pt30 0.18985460 0.72873623 0.66388888 # 31 Pt31 0.01249334 0.88948676 0.65129214 # 32 Pt32 0.11935291 0.55995328 0.58534305 # 33 Pt33 0.91323350 0.78305617 0.14936481 # 34 Pt34 0.78951181 0.83040925 0.83211623 # 35 Pt35 0.29003909 0.70054651 0.62530398 # 36 Pt36 0.65751472 0.01023240 0.26322099 # 37 Pt37 0.96566480 0.39250985 0.66744979 # 38 Pt38 0.04210164 0.01854514 0.66842331 # 39 Pt39 0.35970375 0.17111964 0.94303171 # 40 Pt40 0.15700452 0.57889908 0.69017576 # 41 Pt41 0.85640206 0.96498930 0.24424693 # 42 Pt42 0.53045534 0.35947497 0.80820595 # 43 Pt43 0.58390544 0.59731870 0.70789339 # 44 Pt44 0.33820811 0.00973623 0.95014923 # 45 Pt45 0.34229175 0.71971720 0.94893684 # 46 Pt46 0.39580020 0.38920016 0.66301421 # 47 Pt47 0.73896504 0.39779013 0.14994465 # 48 Pt48 0.33145003 0.71459247 0.57257880 # 49 Pt49 0.88356341 0.05974014 0.74057300 # 50 Pt50 0.92595274 0.29814384 0.58715820 # 51 Pt51 0.79086556 0.03096649 0.38122575 # 52 Pt52 0.64720059 0.31700513 0.96282860 # 53 Pt53 0.81375643 0.78640016 0.26018207 # 54 Pt54 0.39135202 0.65019470 0.57235942 # 55 Pt55 0.88202524 0.29389929 0.50784271 # 56 Pt56 0.40085099 0.75848540 0.67970559 # 57 Pt57 0.07995351 0.45118623 0.47788689 # 58 Pt58 0.09131012 0.41204790 0.59258713 # 59 Pt59 0.20964451 0.22486521 0.41696724 # 60 Pt60 0.89268290 0.25532439 0.67940544 # 61 Pt61 0.49965695 0.29483558 0.05930327 # 62 Pt62 0.31766042 0.04313011 0.45361791 # 63 Pt63 0.16591743 0.97429127 0.38754107 # 64 Pt64 0.22287929 0.15446779 0.45149624 # 65 H65 0.37064386 0.30904683 0.74905266 # 66 H66 0.67227424 0.33073469 0.43059250 # 67 O67 0.62675432 0.93246659 0.39898409 # 68 O68 0.49072927 0.83158191 0.54589266 # 69 O69 0.78359835 0.26779733 0.92064234 # 70 S70