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 0.66788188 0.66833810 0.00732313 # 1 Pt1 0.41779090 0.91799212 0.00673369 # 2 Pt2 0.41794559 0.66850570 0.00699928 # 3 Pt3 0.16865321 0.91802506 0.00659247 # 4 Pt4 0.91820931 0.41813851 0.00750572 # 5 Pt5 0.91801761 0.16812413 0.00770627 # 6 Pt6 0.66827926 0.41778149 0.00777054 # 7 Pt7 0.16838020 0.16766661 0.00721139 # 8 Pt8 0.91798302 0.91844530 0.00774116 # 9 Pt9 0.91819744 0.66822531 0.00754373 # 10 Pt10 0.66820794 0.91842003 0.00779809 # 11 Pt11 0.16832241 0.66833003 0.00746284 # 12 Pt12 0.66810278 0.16817601 0.00877077 # 13 Pt13 0.41830246 0.41780053 0.00806359 # 14 Pt14 0.41829957 0.16826450 0.00799825 # 15 Pt15 0.16824377 0.41814685 0.00778879 # 16 Pt16 0.75101114 0.75213243 0.08643260 # 17 Pt17 0.75092527 0.50186218 0.08643322 # 18 Pt18 0.50074516 0.75230183 0.08617129 # 19 Pt19 0.00107625 0.50210720 0.08659449 # 20 Pt20 0.50102198 0.00172910 0.08637011 # 21 Pt21 0.25131708 0.25196989 0.08662556 # 22 Pt22 0.25102791 0.00196207 0.08616024 # 23 Pt23 0.00092035 0.25192014 0.08636282 # 24 Pt24 0.50089158 0.50234428 0.08649531 # 25 Pt25 0.25103775 0.75238398 0.08621102 # 26 Pt26 0.25142346 0.50191192 0.08686659 # 27 Pt27 0.00103598 0.75212686 0.08648031 # 28 Pt28 0.75101085 0.25174853 0.08776378 # 29 Pt29 0.75092152 0.00234668 0.08780632 # 30 Pt30 0.50122251 0.25189058 0.08810547 # 31 Pt31 0.00145165 0.00167664 0.08630895 # 32 Pt32 0.33420776 0.33667455 0.16529509 # 33 Pt33 0.08410091 0.58600675 0.16422177 # 34 Pt34 0.08421314 0.33552216 0.16395617 # 35 Pt35 0.83376580 0.58600830 0.16401283 # 36 Pt36 0.58442893 0.08702653 0.16606818 # 37 Pt37 0.58376535 0.83658197 0.16402908 # 38 Pt38 0.33462908 0.08610063 0.16402808 # 39 Pt39 0.83391119 0.83579564 0.16449906 # 40 Pt40 0.58366727 0.58602534 0.16412785 # 41 Pt41 0.58359441 0.33654198 0.16595052 # 42 Pt42 0.33438132 0.58589379 0.16444825 # 43 Pt43 0.83354734 0.33631487 0.16456537 # 44 Pt44 0.33378543 0.83620104 0.16398601 # 45 Pt45 0.08320340 0.08591834 0.16393477 # 46 Pt46 0.08333444 0.83659298 0.16405301 # 47 Pt47 0.83176146 0.08710983 0.16603404 # 48 Pt48 0.41599620 0.42253904 0.24525641 # 49 Pt49 0.41580459 0.17015526 0.24398045 # 50 Pt50 0.16646205 0.42005029 0.24338477 # 51 Pt51 0.66522801 0.17268744 0.24861761 # 52 Pt52 0.16612962 0.67055097 0.24316202 # 53 Pt53 0.91648359 0.92037724 0.24366760 # 54 Pt54 0.91656255 0.67035696 0.24321751 # 55 Pt55 0.66624958 0.92043739 0.24364753 # 56 Pt56 0.16661378 0.17003435 0.24300058 # 57 Pt57 0.91706979 0.42008811 0.24309659 # 58 Pt58 0.91730954 0.16987545 0.24353129 # 59 Pt59 0.66673041 0.42217049 0.24410286 # 60 Pt60 0.41656908 0.92034275 0.24321887 # 61 Pt61 0.41631966 0.67153369 0.24345477 # 62 Pt62 0.16655112 0.92017170 0.24325548 # 63 Pt63 0.66699458 0.67044975 0.24310924 # 64 Pt64 0.30618781 0.42025644 0.33881722 # 65 H65 0.63890437 0.21271558 0.30042907 # 66 H66 0.28494074 0.51402466 0.34741035 # 67 O67 0.50828773 0.38092258 0.39181265 # 68 O68 0.39948002 0.64042465 0.37327970 # 69 O69 0.43531445 0.49962522 0.36041679 # 70 S70