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 0.02508033 0.65124903 0.23167729 # 1 Pt1 0.85865290 0.75272592 0.59273909 # 2 Pt2 0.45955284 0.77602831 0.86856573 # 3 Pt3 0.79270388 0.12629691 0.44892247 # 4 Pt4 0.19691834 0.22468487 0.62139145 # 5 Pt5 0.51416943 0.22619444 0.24095148 # 6 Pt6 0.72380795 0.32124460 0.12072130 # 7 Pt7 0.99807142 0.11527812 0.70235482 # 8 Pt8 0.25593343 0.56111018 0.96288366 # 9 Pt9 0.94122947 0.50314500 0.03408312 # 10 Pt10 0.31111566 0.06167458 0.59393085 # 11 Pt11 0.19894400 0.35771379 0.57115245 # 12 Pt12 0.00668350 0.04545216 0.75389012 # 13 Pt13 0.20613786 0.64893412 0.95834356 # 14 Pt14 0.42594348 0.84859938 0.31062607 # 15 Pt15 0.39661031 0.50841075 0.71473891 # 16 Pt16 0.64567263 0.77836101 0.12914579 # 17 Pt17 0.88405990 0.06865902 0.70523729 # 18 Pt18 0.05370061 0.29525647 0.05041446 # 19 Pt19 0.53391057 0.52360150 0.91627706 # 20 Pt20 0.98394484 0.33360678 0.87343586 # 21 Pt21 0.65998257 0.28627398 0.73281879 # 22 Pt22 0.16083572 0.98706881 0.17757383 # 23 Pt23 0.48601285 0.09198351 0.43783654 # 24 Pt24 0.71982399 0.48908696 0.74448439 # 25 Pt25 0.25441638 0.22786999 0.18629660 # 26 Pt26 0.16132599 0.48617535 0.24145099 # 27 Pt27 0.39734052 0.51985430 0.00478468 # 28 Pt28 0.29305418 0.70690389 0.29472721 # 29 Pt29 0.78886715 0.95666940 0.66830429 # 30 Pt30 0.50727566 0.32134308 0.68262557 # 31 Pt31 0.62528874 0.97120312 0.59401410 # 32 Pt32 0.67573694 0.98651735 0.38111755 # 33 Pt33 0.46394961 0.54735454 0.99037688 # 34 Pt34 0.99469959 0.44402458 0.80570310 # 35 Pt35 0.27286504 0.85626438 0.02540690 # 36 Pt36 0.24170776 0.64291867 0.68298698 # 37 Pt37 0.48929510 0.51051767 0.81326253 # 38 Pt38 0.05236624 0.60957993 0.43247781 # 39 Pt39 0.26473387 0.09807124 0.80112252 # 40 Pt40 0.52518957 0.81302922 0.48063621 # 41 Pt41 0.15204530 0.75692988 0.37860855 # 42 Pt42 0.81447493 0.62897300 0.99250445 # 43 Pt43 0.58925401 0.01186640 0.27807047 # 44 Pt44 0.62292209 0.20998174 0.79021124 # 45 Pt45 0.96054267 0.35055494 0.98046629 # 46 Pt46 0.76097971 0.42347906 0.00734252 # 47 Pt47 0.28998292 0.45501171 0.00417601 # 48 Pt48 0.75056746 0.57231988 0.93801594 # 49 Pt49 0.66677100 0.01947609 0.11547074 # 50 Pt50 0.36220757 0.33504653 0.72543812 # 51 Pt51 0.31732453 0.89901859 0.79430109 # 52 Pt52 0.77753756 0.08213548 0.41903062 # 53 Pt53 0.88620954 0.36675854 0.59657342 # 54 Pt54 0.31290692 0.24972110 0.68290008 # 55 Pt55 0.63310704 0.53102600 0.32919997 # 56 Pt56 0.34452498 0.52415482 0.71908644 # 57 Pt57 0.39879830 0.42761058 0.78881944 # 58 Pt58 0.43323450 0.44965908 0.20425900 # 59 Pt59 0.42937062 0.61468566 0.88464937 # 60 Pt60 0.27325655 0.24436584 0.06619844 # 61 Pt61 0.44195140 0.80651641 0.56676891 # 62 Pt62 0.79123645 0.20247363 0.14650943 # 63 Pt63 0.92911977 0.00952370 0.50286315 # 64 Pt64 0.62495031 0.93806414 0.10341249 # 65 H65 0.19185362 0.44278081 0.24659214 # 66 H66 0.11643415 0.10514904 0.99166295 # 67 O67 0.69984805 0.83549410 0.90422359 # 68 O68 0.91613394 0.96442006 0.05216324 # 69 O69 0.91591086 0.52376715 0.70164541 # 70 S70