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 0.34336451 0.85863034 0.18384779 # 1 Pt1 0.55316195 0.03995970 0.33206088 # 2 Pt2 0.88847954 0.03754944 0.21082042 # 3 Pt3 0.68832729 0.98359625 0.45296971 # 4 Pt4 0.26616284 0.13887166 0.92181954 # 5 Pt5 0.78815334 0.23761403 0.47321950 # 6 Pt6 0.84551245 0.22996565 0.19773584 # 7 Pt7 0.60439717 0.88795214 0.15857838 # 8 Pt8 0.26031105 0.61927523 0.46081964 # 9 Pt9 0.27690549 0.48655143 0.03748241 # 10 Pt10 0.41943376 0.37241620 0.47021305 # 11 Pt11 0.17352398 0.29825132 0.00572651 # 12 Pt12 0.38144163 0.27649468 0.59230357 # 13 Pt13 0.77069643 0.18501546 0.87485293 # 14 Pt14 0.69422895 0.44626171 0.23361123 # 15 Pt15 0.09842404 0.91243976 0.36985670 # 16 Pt16 0.93520718 0.43472539 0.40171599 # 17 Pt17 0.16543404 0.88902977 0.85342522 # 18 Pt18 0.73209832 0.32212174 0.19601711 # 19 Pt19 0.75131288 0.72892035 0.83662566 # 20 Pt20 0.39942774 0.83553110 0.52215472 # 21 Pt21 0.95131279 0.89785752 0.96711690 # 22 Pt22 0.75987546 0.39197290 0.34783515 # 23 Pt23 0.73877279 0.55335762 0.48271062 # 24 Pt24 0.99167129 0.55391553 0.88267337 # 25 Pt25 0.81528086 0.64590331 0.93821802 # 26 Pt26 0.01392483 0.21396458 0.55846922 # 27 Pt27 0.56301757 0.56520178 0.80051139 # 28 Pt28 0.38654035 0.79800381 0.92115516 # 29 Pt29 0.64626407 0.79639240 0.35112209 # 30 Pt30 0.22964696 0.04809333 0.49396617 # 31 Pt31 0.06246214 0.47652681 0.31559255 # 32 Pt32 0.67523842 0.40567814 0.07527384 # 33 Pt33 0.93320442 0.66948169 0.01915443 # 34 Pt34 0.10372010 0.56904115 0.02989351 # 35 Pt35 0.02936435 0.78267022 0.10512321 # 36 Pt36 0.05583504 0.38574198 0.53970618 # 37 Pt37 0.69853917 0.88946559 0.48570435 # 38 Pt38 0.81980459 0.07515307 0.28344591 # 39 Pt39 0.61392908 0.29645563 0.75135200 # 40 Pt40 0.03727775 0.93116560 0.26829578 # 41 Pt41 0.97521846 0.26468274 0.67258509 # 42 Pt42 0.01817207 0.17511994 0.84780822 # 43 Pt43 0.35642634 0.28749375 0.98345462 # 44 Pt44 0.56743959 0.46463547 0.58002566 # 45 Pt45 0.00108370 0.59771019 0.33321555 # 46 Pt46 0.09673043 0.69523295 0.53018724 # 47 Pt47 0.52886102 0.40859767 0.56460319 # 48 Pt48 0.67389288 0.32848279 0.64867095 # 49 Pt49 0.34389595 0.78187686 0.84836355 # 50 Pt50 0.63505437 0.93917439 0.45021171 # 51 Pt51 0.47848664 0.53993538 0.32445859 # 52 Pt52 0.60897622 0.81640768 0.11479071 # 53 Pt53 0.40310825 0.04246940 0.83628282 # 54 Pt54 0.93358806 0.37900411 0.56350903 # 55 Pt55 0.17012213 0.84246087 0.78261673 # 56 Pt56 0.25189130 0.04582622 0.60769584 # 57 Pt57 0.07463799 0.44123110 0.69477369 # 58 Pt58 0.35663482 0.56031313 0.19761370 # 59 Pt59 0.10031717 0.98481222 0.13422505 # 60 Pt60 0.03716242 0.26765654 0.23506977 # 61 Pt61 0.73654550 0.71675129 0.13541069 # 62 Pt62 0.71957806 0.13677484 0.47202378 # 63 Pt63 0.25132331 0.72349152 0.66749207 # 64 Pt64 0.64231818 0.97346722 0.48063064 # 65 H65 0.00847680 0.43208076 0.56349614 # 66 H66 0.42921910 0.20840367 0.33683976 # 67 O67 0.63046400 0.17537132 0.69024010 # 68 O68 0.70117534 0.54256580 0.99805194 # 69 O69 0.08822005 0.23749637 0.41689107 # 70 S70