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 0.66506279 0.66029637 0.00184201 # 1 Pt1 0.42233488 0.92374228 0.98880169 # 2 Pt2 0.42635945 0.64011662 0.99543089 # 3 Pt3 0.14542753 0.93448450 0.98384510 # 4 Pt4 0.92508591 0.39721164 0.00494739 # 5 Pt5 0.92984760 0.14647030 0.00275040 # 6 Pt6 0.67606301 0.39082051 0.02621263 # 7 Pt7 0.16678483 0.14835458 0.99020486 # 8 Pt8 0.92013503 0.92188132 0.01483405 # 9 Pt9 0.92129089 0.66407395 0.01145959 # 10 Pt10 0.66981768 0.92616624 0.02611714 # 11 Pt11 0.17684509 0.66384809 0.00799279 # 12 Pt12 0.67056862 0.16342460 0.05764883 # 13 Pt13 0.43059746 0.39618902 0.04376097 # 14 Pt14 0.42811958 0.15697711 0.02460561 # 15 Pt15 0.18092283 0.40641684 0.01644900 # 16 Pt16 0.75171971 0.74659873 0.08517538 # 17 Pt17 0.75336757 0.49435356 0.08259221 # 18 Pt18 0.49906105 0.74836045 0.06355699 # 19 Pt19 0.00693857 0.50112750 0.08002849 # 20 Pt20 0.50185733 0.02505884 0.09461317 # 21 Pt21 0.25835233 0.25794377 0.08488825 # 22 Pt22 0.21568120 0.03724120 0.06803889 # 23 Pt23 0.98051980 0.25054707 0.07720644 # 24 Pt24 0.51334961 0.44668711 0.13103879 # 25 Pt25 0.24685114 0.74176743 0.06972316 # 26 Pt26 0.26268276 0.48230459 0.12164066 # 27 Pt27 0.00935868 0.74155199 0.08240902 # 28 Pt28 0.70590507 0.28131755 0.11908882 # 29 Pt29 0.74037910 0.00989857 0.10668676 # 30 Pt30 0.49076833 0.29358903 0.16270110 # 31 Pt31 0.97082382 0.02065174 0.08744190 # 32 Pt32 0.30179437 0.41867218 0.26696079 # 33 Pt33 0.07993843 0.60005316 0.17330744 # 34 Pt34 0.07944377 0.34754463 0.14922058 # 35 Pt35 0.84335634 0.58232453 0.15664949 # 36 Pt36 0.50060919 0.07441361 0.15999055 # 37 Pt37 0.58633436 0.83582007 0.15704685 # 38 Pt38 0.30152259 0.12697578 0.16538113 # 39 Pt39 0.83065498 0.84746563 0.17483990 # 40 Pt40 0.56410448 0.63186308 0.16797590 # 41 Pt41 0.37308616 0.53731751 0.31144983 # 42 Pt42 0.29796456 0.61957209 0.25133968 # 43 Pt43 0.77899128 0.38140276 0.18388296 # 44 Pt44 0.30658030 0.87808396 0.13943288 # 45 Pt45 0.05883407 0.11334283 0.16843228 # 46 Pt46 0.06296852 0.85701291 0.15351167 # 47 Pt47 0.89186007 0.08733473 0.14795764 # 48 Pt48 0.27186416 0.57862927 0.75190543 # 49 Pt49 0.30724709 0.24921141 0.27703262 # 50 Pt50 0.07808699 0.43909340 0.24694072 # 51 Pt51 0.50437842 0.40555745 0.21334538 # 52 Pt52 0.95986954 0.92616580 0.23904108 # 53 Pt53 0.02703495 0.82722880 0.28231362 # 54 Pt54 0.86797585 0.71872232 0.25028466 # 55 Pt55 0.63677174 0.85843281 0.27063913 # 56 Pt56 0.14937661 0.17594745 0.23326665 # 57 Pt57 0.90582611 0.45700193 0.24269754 # 58 Pt58 0.94062388 0.24914445 0.27547484 # 59 Pt59 0.66144805 0.44444474 0.28831279 # 60 Pt60 0.39361239 0.98694065 0.23521000 # 61 Pt61 0.38358378 0.83113573 0.22688061 # 62 Pt62 0.13070410 0.99365149 0.24720224 # 63 Pt63 0.67341010 0.73703478 0.23949467 # 64 Pt64 0.05973975 0.23377426 0.22873239 # 65 H65 0.95114968 0.71693329 0.11018207 # 66 H66 0.68021493 0.18533679 0.44486495 # 67 O67 0.43566947 0.38958810 0.31285805 # 68 O68 0.31076002 0.80547225 0.44627273 # 69 O69 0.43407860 0.73477590 0.45121295 # 70 S70