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 0.32479231 0.81664273 0.47469238 # 1 Pt1 0.86541038 0.74980906 0.10893755 # 2 Pt2 0.14093686 0.23343263 0.51950255 # 3 Pt3 0.05240921 0.43836942 0.30611267 # 4 Pt4 0.78250248 0.29814183 0.03768978 # 5 Pt5 0.77684536 0.10768422 0.69154777 # 6 Pt6 0.92475125 0.25726313 0.04696873 # 7 Pt7 0.90209341 0.94651740 0.50469172 # 8 Pt8 0.63649176 0.92755662 0.80549442 # 9 Pt9 0.38490286 0.56077808 0.86139708 # 10 Pt10 0.52597123 0.94834776 0.52224846 # 11 Pt11 0.64166267 0.11686951 0.60533079 # 12 Pt12 0.90800583 0.72828688 0.03139287 # 13 Pt13 0.94407462 0.33112897 0.29928616 # 14 Pt14 0.82287262 0.32444739 0.09956500 # 15 Pt15 0.87740351 0.95059811 0.50210620 # 16 Pt16 0.23373391 0.21086439 0.00329351 # 17 Pt17 0.44126889 0.09506610 0.37762546 # 18 Pt18 0.67330855 0.82418642 0.08023156 # 19 Pt19 0.18695408 0.54664571 0.12300630 # 20 Pt20 0.67779925 0.89780979 0.67704851 # 21 Pt21 0.77845816 0.39097644 0.68204600 # 22 Pt22 0.06075815 0.95094604 0.72844491 # 23 Pt23 0.35901520 0.23441827 0.22184352 # 24 Pt24 0.91922063 0.69246070 0.62811862 # 25 Pt25 0.22321591 0.54835961 0.13076444 # 26 Pt26 0.15788512 0.22548242 0.54312288 # 27 Pt27 0.20906001 0.50524906 0.72981385 # 28 Pt28 0.67640286 0.70581230 0.43290752 # 29 Pt29 0.86080311 0.95310650 0.68350573 # 30 Pt30 0.21463525 0.40850145 0.42016437 # 31 Pt31 0.90113916 0.59752526 0.34458293 # 32 Pt32 0.82325972 0.85804848 0.19586661 # 33 Pt33 0.83197012 0.01005028 0.65342525 # 34 Pt34 0.01505411 0.17803806 0.66743422 # 35 Pt35 0.81619190 0.56526456 0.88438384 # 36 Pt36 0.30086582 0.10645083 0.74890226 # 37 Pt37 0.44324939 0.35422954 0.93156215 # 38 Pt38 0.77744894 0.12384047 0.79329543 # 39 Pt39 0.60769965 0.83618128 0.65159399 # 40 Pt40 0.37677316 0.38410165 0.27607796 # 41 Pt41 0.27728889 0.45904418 0.93543959 # 42 Pt42 0.13304316 0.46279400 0.00751448 # 43 Pt43 0.21504482 0.49695941 0.13155501 # 44 Pt44 0.81388174 0.28995229 0.14476513 # 45 Pt45 0.04901920 0.31082572 0.09678399 # 46 Pt46 0.22098508 0.50355013 0.93638982 # 47 Pt47 0.12790066 0.44053364 0.81176909 # 48 Pt48 0.27051823 0.39014835 0.20682897 # 49 Pt49 0.51341372 0.19952478 0.64384678 # 50 Pt50 0.11152620 0.96401034 0.03223583 # 51 Pt51 0.48244050 0.27282311 0.34080190 # 52 Pt52 0.09313410 0.79331292 0.47950703 # 53 Pt53 0.85361824 0.99313675 0.36411336 # 54 Pt54 0.55639341 0.49224680 0.22676989 # 55 Pt55 0.68305736 0.42951476 0.21174032 # 56 Pt56 0.87716502 0.44280276 0.08349162 # 57 Pt57 0.90444432 0.45390868 0.02512940 # 58 Pt58 0.03339495 0.14244152 0.23387543 # 59 Pt59 0.48908423 0.91942109 0.12055632 # 60 Pt60 0.92371964 0.24156240 0.88138569 # 61 Pt61 0.29833029 0.49262854 0.25994166 # 62 Pt62 0.87381405 0.10870194 0.86834723 # 63 Pt63 0.54777333 0.12010311 0.30578724 # 64 Pt64 0.22771577 0.90768074 0.40258110 # 65 H65 0.28299058 0.58328503 0.63563812 # 66 H66 0.98304978 0.62017274 0.18716549 # 67 O67 0.98165399 0.53397743 0.19929656 # 68 O68 0.61746434 0.77806578 0.53089662 # 69 O69 0.45643916 0.17593723 0.80142391 # 70 S70