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 0.62229312 0.24323781 0.69125379 # 1 Pt1 0.59881943 0.45582665 0.81004728 # 2 Pt2 0.99392706 0.43098697 0.69424052 # 3 Pt3 0.84398115 0.93424776 0.54462363 # 4 Pt4 0.44183193 0.63974332 0.38933403 # 5 Pt5 0.60436370 0.05497893 0.95536795 # 6 Pt6 0.66407279 0.91325834 0.42128113 # 7 Pt7 0.40305636 0.99583149 0.59974853 # 8 Pt8 0.59578315 0.70727952 0.74455254 # 9 Pt9 0.63828489 0.30224994 0.28327520 # 10 Pt10 0.78220502 0.31213127 0.86621244 # 11 Pt11 0.83979651 0.96851991 0.80918317 # 12 Pt12 0.96780881 0.52741859 0.67981452 # 13 Pt13 0.62913165 0.79920623 0.07334106 # 14 Pt14 0.73679908 0.85722405 0.90106859 # 15 Pt15 0.86801972 0.21843411 0.65955970 # 16 Pt16 0.41600287 0.30718610 0.09906901 # 17 Pt17 0.77071728 0.20723202 0.19174299 # 18 Pt18 0.17810525 0.69806048 0.99864397 # 19 Pt19 0.06879641 0.46930070 0.43138984 # 20 Pt20 0.08403390 0.83742163 0.36100962 # 21 Pt21 0.21669844 0.87703587 0.64295285 # 22 Pt22 0.49157336 0.27955241 0.19807049 # 23 Pt23 0.07880383 0.97405183 0.89635025 # 24 Pt24 0.66751892 0.15827418 0.67576637 # 25 Pt25 0.17264814 0.58769458 0.00115954 # 26 Pt26 0.98791641 0.20719145 0.56896115 # 27 Pt27 0.19808187 0.82803734 0.56658116 # 28 Pt28 0.05148131 0.78445773 0.52195857 # 29 Pt29 0.11836110 0.45331024 0.16725627 # 30 Pt30 0.88003954 0.86816194 0.24979497 # 31 Pt31 0.06674751 0.67314505 0.59554626 # 32 Pt32 0.33659869 0.78938800 0.82787570 # 33 Pt33 0.07095581 0.71479227 0.74681350 # 34 Pt34 0.85497412 0.86206739 0.28470561 # 35 Pt35 0.46918423 0.09025001 0.10301260 # 36 Pt36 0.76061733 0.80255519 0.98741189 # 37 Pt37 0.40871420 0.79364892 0.15148460 # 38 Pt38 0.07223030 0.49450705 0.63097582 # 39 Pt39 0.43918938 0.70538586 0.95388820 # 40 Pt40 0.91012182 0.63363782 0.87547369 # 41 Pt41 0.50567008 0.21225212 0.33312771 # 42 Pt42 0.43855869 0.72769990 0.91303836 # 43 Pt43 0.99917521 0.20656211 0.60621142 # 44 Pt44 0.40440540 0.44493184 0.39347389 # 45 Pt45 0.77837278 0.09175288 0.68246181 # 46 Pt46 0.03329396 0.55920474 0.52017502 # 47 Pt47 0.56000412 0.35259207 0.88182074 # 48 Pt48 0.81649176 0.25804127 0.11879060 # 49 Pt49 0.60409185 0.13527030 0.95994647 # 50 Pt50 0.74340985 0.19706784 0.40086245 # 51 Pt51 0.09121335 0.67328566 0.71615034 # 52 Pt52 0.94860119 0.67796570 0.25086649 # 53 Pt53 0.61195456 0.92441808 0.63193181 # 54 Pt54 0.93051040 0.81745056 0.98928099 # 55 Pt55 0.06051242 0.70963793 0.95020979 # 56 Pt56 0.08028640 0.33930158 0.42978121 # 57 Pt57 0.67129708 0.82716664 0.06883438 # 58 Pt58 0.07313949 0.15637752 0.79693376 # 59 Pt59 0.48926230 0.79147066 0.08156124 # 60 Pt60 0.83635439 0.31705847 0.07541684 # 61 Pt61 0.95033209 0.75475253 0.25127430 # 62 Pt62 0.75142479 0.89357929 0.51557701 # 63 Pt63 0.98262773 0.52202762 0.22523970 # 64 Pt64 0.78795986 0.80020033 0.07124780 # 65 H65 0.11636147 0.30257646 0.84770556 # 66 H66 0.98885508 0.10967434 0.94730360 # 67 O67 0.33296030 0.69091389 0.98124462 # 68 O68 0.81403415 0.46718672 0.47287585 # 69 O69 0.31135919 0.70053828 0.36145729 # 70 S70