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 0.31270115 0.99591702 0.72772801 # 1 Pt1 0.60052977 0.25355692 0.05541720 # 2 Pt2 0.44547907 0.42110409 0.67208621 # 3 Pt3 0.45266634 0.88713641 0.79509126 # 4 Pt4 0.43080246 0.79437846 0.24940714 # 5 Pt5 0.41044433 0.73442073 0.01830557 # 6 Pt6 0.12800543 0.24921041 0.45193259 # 7 Pt7 0.34195688 0.96026084 0.70167153 # 8 Pt8 0.76646248 0.86457792 0.52842609 # 9 Pt9 0.18038581 0.02276199 0.49338872 # 10 Pt10 0.20920545 0.06944332 0.77980681 # 11 Pt11 0.22005502 0.47664225 0.39320910 # 12 Pt12 0.86811784 0.08742927 0.25041689 # 13 Pt13 0.66879186 0.57650737 0.68665379 # 14 Pt14 0.28437184 0.54556872 0.84768352 # 15 Pt15 0.95767399 0.70780434 0.12050705 # 16 Pt16 0.87541655 0.28650631 0.66887537 # 17 Pt17 0.59403530 0.91804431 0.45064624 # 18 Pt18 0.05405361 0.37422042 0.60493050 # 19 Pt19 0.47543803 0.01026347 0.38107903 # 20 Pt20 0.01013253 0.62943896 0.63954195 # 21 Pt21 0.60540780 0.78405749 0.42847361 # 22 Pt22 0.71194409 0.41722342 0.14329223 # 23 Pt23 0.78482729 0.45136959 0.71054037 # 24 Pt24 0.14842090 0.42492045 0.13396233 # 25 Pt25 0.66409114 0.03222771 0.88240735 # 26 Pt26 0.25493494 0.72833712 0.72667648 # 27 Pt27 0.68228364 0.79059349 0.88863793 # 28 Pt28 0.94542605 0.26623099 0.26681714 # 29 Pt29 0.37688733 0.51462647 0.07043183 # 30 Pt30 0.21637569 0.09222950 0.08154757 # 31 Pt31 0.18686237 0.56079404 0.28714698 # 32 Pt32 0.64288999 0.63659384 0.35898913 # 33 Pt33 0.00354660 0.46442225 0.59824328 # 34 Pt34 0.03087922 0.23693019 0.12920911 # 35 Pt35 0.76919267 0.10176896 0.18473614 # 36 Pt36 0.51360299 0.54927909 0.81098068 # 37 Pt37 0.04221159 0.73938968 0.28457398 # 38 Pt38 0.46653764 0.41837948 0.71329875 # 39 Pt39 0.53437869 0.15674716 0.82166831 # 40 Pt40 0.28721289 0.69732630 0.82950712 # 41 Pt41 0.37469710 0.49800746 0.29178230 # 42 Pt42 0.58715288 0.02735776 0.41139331 # 43 Pt43 0.25807966 0.95705112 0.97846680 # 44 Pt44 0.40334584 0.26984782 0.81090977 # 45 Pt45 0.46322378 0.36979041 0.03585322 # 46 Pt46 0.36948404 0.97773903 0.32633895 # 47 Pt47 0.91344716 0.17701044 0.31217546 # 48 Pt48 0.04145141 0.92089641 0.75803644 # 49 Pt49 0.82577219 0.51443708 0.50366613 # 50 Pt50 0.34786509 0.93224169 0.15315192 # 51 Pt51 0.36333208 0.46467297 0.16908906 # 52 Pt52 0.68850638 0.32400776 0.41855923 # 53 Pt53 0.66370743 0.78846895 0.64306798 # 54 Pt54 0.88351687 0.03542803 0.70218510 # 55 Pt55 0.79137325 0.86717303 0.67731487 # 56 Pt56 0.91047894 0.51539628 0.42991086 # 57 Pt57 0.25412232 0.32877851 0.79223783 # 58 Pt58 0.88650389 0.73045469 0.00684769 # 59 Pt59 0.81253382 0.72020825 0.94459465 # 60 Pt60 0.27576285 0.93747839 0.78871351 # 61 Pt61 0.01948939 0.52669190 0.52074206 # 62 Pt62 0.13773618 0.70482656 0.88694344 # 63 Pt63 0.69278519 0.88234339 0.79037205 # 64 Pt64 0.06154015 0.40641918 0.83770632 # 65 H65 0.57729290 0.13614517 0.53400049 # 66 H66 0.91025651 0.49293943 0.28565903 # 67 O67 0.09759713 0.27822358 0.49317611 # 68 O68 0.12878749 0.88836748 0.58830035 # 69 O69 0.03049544 0.83546745 0.88999637 # 70 S70