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 0.94350889 0.12015238 0.41793340 # 1 Pt1 0.38865861 0.27015066 0.45646875 # 2 Pt2 0.05154641 0.15400568 0.58862036 # 3 Pt3 0.34179670 0.29401975 0.36959868 # 4 Pt4 0.96032025 0.69884703 0.97312832 # 5 Pt5 0.06089363 0.48432886 0.51065666 # 6 Pt6 0.95171766 0.67273754 0.26765834 # 7 Pt7 0.57152085 0.69688275 0.18465044 # 8 Pt8 0.31850859 0.31427745 0.65484898 # 9 Pt9 0.66963077 0.97848343 0.51573991 # 10 Pt10 0.10332544 0.02394945 0.13426226 # 11 Pt11 0.79947372 0.76258059 0.69671119 # 12 Pt12 0.55213222 0.15683895 0.51295142 # 13 Pt13 0.51979728 0.94677540 0.51082750 # 14 Pt14 0.49485123 0.80040386 0.06692260 # 15 Pt15 0.71594561 0.38481612 0.30480733 # 16 Pt16 0.62323978 0.48603884 0.52041347 # 17 Pt17 0.25044180 0.30624266 0.14103576 # 18 Pt18 0.44766740 0.44436720 0.09618276 # 19 Pt19 0.88101233 0.66145317 0.19732136 # 20 Pt20 0.14308766 0.31330619 0.07389203 # 21 Pt21 0.04158245 0.97981814 0.74046480 # 22 Pt22 0.94437048 0.76123365 0.48822972 # 23 Pt23 0.41908673 0.74161815 0.28536692 # 24 Pt24 0.31452624 0.25322521 0.99516701 # 25 Pt25 0.16810557 0.69512856 0.20779736 # 26 Pt26 0.57181071 0.42469629 0.53097832 # 27 Pt27 0.98209167 0.44982107 0.05846084 # 28 Pt28 0.15236281 0.52348478 0.02034789 # 29 Pt29 0.77639687 0.80211957 0.24272675 # 30 Pt30 0.17471175 0.15834526 0.32254088 # 31 Pt31 0.22500465 0.18464871 0.03091541 # 32 Pt32 0.89286512 0.26570421 0.66966744 # 33 Pt33 0.34507136 0.63020071 0.90150954 # 34 Pt34 0.80012030 0.85366370 0.44503434 # 35 Pt35 0.27314169 0.27118894 0.47139249 # 36 Pt36 0.81511511 0.70580969 0.72751738 # 37 Pt37 0.52349285 0.01136944 0.59604186 # 38 Pt38 0.67225204 0.86023690 0.92539256 # 39 Pt39 0.35069997 0.66196607 0.13998236 # 40 Pt40 0.51938664 0.93429153 0.42301474 # 41 Pt41 0.78630978 0.08781225 0.61083807 # 42 Pt42 0.64528097 0.00037302 0.24589926 # 43 Pt43 0.11220223 0.93635606 0.43541182 # 44 Pt44 0.91754120 0.87601853 0.02544720 # 45 Pt45 0.19633041 0.49284519 0.71818608 # 46 Pt46 0.89107913 0.62605004 0.73744984 # 47 Pt47 0.66975129 0.89387785 0.88281866 # 48 Pt48 0.45688712 0.22506694 0.47816182 # 49 Pt49 0.91812212 0.15694629 0.55827506 # 50 Pt50 0.73217899 0.95896334 0.23788127 # 51 Pt51 0.94004349 0.23885322 0.26115491 # 52 Pt52 0.12880362 0.61028035 0.80097839 # 53 Pt53 0.00195458 0.33817793 0.66860555 # 54 Pt54 0.25140212 0.01579949 0.04736461 # 55 Pt55 0.53029836 0.93238862 0.43915858 # 56 Pt56 0.64597443 0.77293858 0.05365136 # 57 Pt57 0.37292373 0.54178419 0.79310710 # 58 Pt58 0.78583379 0.25642370 0.89881889 # 59 Pt59 0.69595996 0.91322042 0.94997256 # 60 Pt60 0.85527243 0.55434596 0.40868711 # 61 Pt61 0.44946714 0.38644763 0.02260962 # 62 Pt62 0.80968482 0.24679052 0.46526440 # 63 Pt63 0.69753345 0.28242405 0.70090335 # 64 Pt64 0.04473645 0.22667074 0.18673930 # 65 H65 0.27217425 0.19338098 0.44205668 # 66 H66 0.15311396 0.33756626 0.11844679 # 67 O67 0.32181247 0.15459770 0.38048026 # 68 O68 0.00215848 0.45403787 0.52509017 # 69 O69 0.03700057 0.81776586 0.45226961 # 70 S70