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 0.71910252 0.44103710 0.08022552 # 1 Pt1 0.59973205 0.03925989 0.85910111 # 2 Pt2 0.35729435 0.19990816 0.82757994 # 3 Pt3 0.82071739 0.01029976 0.04159994 # 4 Pt4 0.89070290 0.70265427 0.20719755 # 5 Pt5 0.05500045 0.62614385 0.96473296 # 6 Pt6 0.81990531 0.02999867 0.15926806 # 7 Pt7 0.54939209 0.24866706 0.36964946 # 8 Pt8 0.56923168 0.09149894 0.94070963 # 9 Pt9 0.15690594 0.45502924 0.20041564 # 10 Pt10 0.42255021 0.62749728 0.59848416 # 11 Pt11 0.87966176 0.11859555 0.26250827 # 12 Pt12 0.95599946 0.77145174 0.78371965 # 13 Pt13 0.68059372 0.43918440 0.75346732 # 14 Pt14 0.18668148 0.32659193 0.11130287 # 15 Pt15 0.58433724 0.08524093 0.05120790 # 16 Pt16 0.61635133 0.76132959 0.91676162 # 17 Pt17 0.71939667 0.32362837 0.88387082 # 18 Pt18 0.40140687 0.03892911 0.99693514 # 19 Pt19 0.19986449 0.51764123 0.19242688 # 20 Pt20 0.93488744 0.81965570 0.35813351 # 21 Pt21 0.12720151 0.81000486 0.67607284 # 22 Pt22 0.70384990 0.78579875 0.54083626 # 23 Pt23 0.71305551 0.79997244 0.32949465 # 24 Pt24 0.81029457 0.72903102 0.58821304 # 25 Pt25 0.80987042 0.38861148 0.93980621 # 26 Pt26 0.25780056 0.34793487 0.56047423 # 27 Pt27 0.89572927 0.08285707 0.26918903 # 28 Pt28 0.04356625 0.64570820 0.06824356 # 29 Pt29 0.39570456 0.93630848 0.21341484 # 30 Pt30 0.75230889 0.99426400 0.07975574 # 31 Pt31 0.92419380 0.19518117 0.79005055 # 32 Pt32 0.00097694 0.54784857 0.96730971 # 33 Pt33 0.92104165 0.26515980 0.29838337 # 34 Pt34 0.23201818 0.12465033 0.08630693 # 35 Pt35 0.96730674 0.26750222 0.76515966 # 36 Pt36 0.47944762 0.28532904 0.75324222 # 37 Pt37 0.41510130 0.67622091 0.35454167 # 38 Pt38 0.43879106 0.67001751 0.82781150 # 39 Pt39 0.96109104 0.94128647 0.84570912 # 40 Pt40 0.99911643 0.44526654 0.92800085 # 41 Pt41 0.77533917 0.62259190 0.76749300 # 42 Pt42 0.29755986 0.99893577 0.08905141 # 43 Pt43 0.12434725 0.05359179 0.95779557 # 44 Pt44 0.95813653 0.06232277 0.77964691 # 45 Pt45 0.06073200 0.65457205 0.31491713 # 46 Pt46 0.11684329 0.77496703 0.25747454 # 47 Pt47 0.96613185 0.48857255 0.28917873 # 48 Pt48 0.90872675 0.92339365 0.46266001 # 49 Pt49 0.52841572 0.23872759 0.39407027 # 50 Pt50 0.25434253 0.11961866 0.13452794 # 51 Pt51 0.16008308 0.92948821 0.71442760 # 52 Pt52 0.97068928 0.43455715 0.16155275 # 53 Pt53 0.98584382 0.06301140 0.38476136 # 54 Pt54 0.79233069 0.99373574 0.81139133 # 55 Pt55 0.14985679 0.23388475 0.92386210 # 56 Pt56 0.95247655 0.66715638 0.71847142 # 57 Pt57 0.91740659 0.84301716 0.24071562 # 58 Pt58 0.02699735 0.47199363 0.67795498 # 59 Pt59 0.00832997 0.23363842 0.80041309 # 60 Pt60 0.04034203 0.44526195 0.71884330 # 61 Pt61 0.91090474 0.70909824 0.73790124 # 62 Pt62 0.33380680 0.47128280 0.57272410 # 63 Pt63 0.12269898 0.28601540 0.55990646 # 64 Pt64 0.33977642 0.70811105 0.08559447 # 65 H65 0.65320974 0.40075166 0.41667407 # 66 H66 0.58616736 0.07695983 0.61313515 # 67 O67 0.94117363 0.18526406 0.09481974 # 68 O68 0.06623939 0.15162312 0.23206005 # 69 O69 0.08933630 0.12493452 0.17754373 # 70 S70