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 4 4 1 Direct 0.66357446 0.67196251 0.00279033 # 1 Pt1 0.41366208 0.92186194 0.00275376 # 2 Pt2 0.41372443 0.67186319 0.00285108 # 3 Pt3 0.16366799 0.92189847 0.00276133 # 4 Pt4 0.91397755 0.42159002 0.00272559 # 5 Pt5 0.91377566 0.17187753 0.00273454 # 6 Pt6 0.66360663 0.42184438 0.00276196 # 7 Pt7 0.16342913 0.17211439 0.00259996 # 8 Pt8 0.91356444 0.92198189 0.00276362 # 9 Pt9 0.91363135 0.67186192 0.00286114 # 10 Pt10 0.66368051 0.92187035 0.00278611 # 11 Pt11 0.16359252 0.67201740 0.00281885 # 12 Pt12 0.66378188 0.17184639 0.00274615 # 13 Pt13 0.41382240 0.42181367 0.00286334 # 14 Pt14 0.41356530 0.17186764 0.00286716 # 15 Pt15 0.16356983 0.42175769 0.00274427 # 16 Pt16 0.74710708 0.75483943 0.08173360 # 17 Pt17 0.74751242 0.50483691 0.08151211 # 18 Pt18 0.49695101 0.75499850 0.08196400 # 19 Pt19 0.99759781 0.50463876 0.08202800 # 20 Pt20 0.49708230 0.00485053 0.08167357 # 21 Pt21 0.24699271 0.25536777 0.08203174 # 22 Pt22 0.24701172 0.00545700 0.08156433 # 23 Pt23 0.99777070 0.25520402 0.08186057 # 24 Pt24 0.49708643 0.50500995 0.08204114 # 25 Pt25 0.24739159 0.75477647 0.08187583 # 26 Pt26 0.24691915 0.50451964 0.08186384 # 27 Pt27 0.99747493 0.75434417 0.08176236 # 28 Pt28 0.74710222 0.25485728 0.08169524 # 29 Pt29 0.74711191 0.00515931 0.08170361 # 30 Pt30 0.49642676 0.25533577 0.08188076 # 31 Pt31 0.99704690 0.00505019 0.08166149 # 32 Pt32 0.33064537 0.33787686 0.16004531 # 33 Pt33 0.08165434 0.58648461 0.15973172 # 34 Pt34 0.08200100 0.33750920 0.15984585 # 35 Pt35 0.83104227 0.58693928 0.15920103 # 36 Pt36 0.58147287 0.08717335 0.15897736 # 37 Pt37 0.58138560 0.83697189 0.15914270 # 38 Pt38 0.33133977 0.08662822 0.15907567 # 39 Pt39 0.83149992 0.83710304 0.15899627 # 40 Pt40 0.58037783 0.58711123 0.15988834 # 41 Pt41 0.58117865 0.33691234 0.15927348 # 42 Pt42 0.33167179 0.58708825 0.15964486 # 43 Pt43 0.83111576 0.33699320 0.15896903 # 44 Pt44 0.33213146 0.83491341 0.16005329 # 45 Pt45 0.08105946 0.08713094 0.15895964 # 46 Pt46 0.08097868 0.83716369 0.15892314 # 47 Pt47 0.83112191 0.08723386 0.15923344 # 48 Pt48 0.41696762 0.41810533 0.23887191 # 49 Pt49 0.41744392 0.16644525 0.23791348 # 50 Pt50 0.16551418 0.41734976 0.23912920 # 51 Pt51 0.66606185 0.16812251 0.23850687 # 52 Pt52 0.16504553 0.67025521 0.23792683 # 53 Pt53 0.91548829 0.91882974 0.23825925 # 54 Pt54 0.91370365 0.67017058 0.23819960 # 55 Pt55 0.66582077 0.91825770 0.23822196 # 56 Pt56 0.16587795 0.16629671 0.23806156 # 57 Pt57 0.91361711 0.41864925 0.23809177 # 58 Pt58 0.91551972 0.16835931 0.23837237 # 59 Pt59 0.66678576 0.41757382 0.23907356 # 60 Pt60 0.41573619 0.91788130 0.23815899 # 61 Pt61 0.41485912 0.66418741 0.24629611 # 62 Pt62 0.16551243 0.91883307 0.23810756 # 63 Pt63 0.66524072 0.66865550 0.23824803 # 64 Pt64 0.58751577 0.37807312 0.31000676 # 65 H65 0.40702391 0.61042334 0.30488381 # 66 H66 0.24815843 0.43030535 0.32543741 # 67 H67 0.08516800 0.51941418 0.32358159 # 68 H68 0.58530592 0.38124178 0.34621303 # 69 O69 0.16440508 0.42501893 0.31847449 # 70 O70 0.42243590 0.47025828 0.36840743 # 71 O71 0.41997596 0.70133965 0.38381286 # 72 O72 0.49052727 0.55922305 0.39997315 # 73 S73