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 0.66788155 0.66833841 0.00732278 # 1 Pt1 0.41779099 0.91799255 0.00673335 # 2 Pt2 0.41794546 0.66850565 0.00699909 # 3 Pt3 0.16865269 0.91802540 0.00659221 # 4 Pt4 0.91820945 0.41813852 0.00750531 # 5 Pt5 0.91801772 0.16812414 0.00770568 # 6 Pt6 0.66827945 0.41778125 0.00776997 # 7 Pt7 0.16838057 0.16766618 0.00721108 # 8 Pt8 0.91798294 0.91844571 0.00774057 # 9 Pt9 0.91819777 0.66822529 0.00754332 # 10 Pt10 0.66820785 0.91842053 0.00779766 # 11 Pt11 0.16832241 0.66833042 0.00746253 # 12 Pt12 0.66810268 0.16817615 0.00877062 # 13 Pt13 0.41830247 0.41780029 0.00806334 # 14 Pt14 0.41829963 0.16826451 0.00799796 # 15 Pt15 0.16824356 0.41814706 0.00778861 # 16 Pt16 0.75101130 0.75213232 0.08643201 # 17 Pt17 0.75092572 0.50186167 0.08643274 # 18 Pt18 0.50074521 0.75230170 0.08617085 # 19 Pt19 0.00107649 0.50210715 0.08659422 # 20 Pt20 0.50102245 0.00172893 0.08637008 # 21 Pt21 0.25131731 0.25196930 0.08662513 # 22 Pt22 0.25102769 0.00196207 0.08616009 # 23 Pt23 0.00092009 0.25191955 0.08636237 # 24 Pt24 0.50089212 0.50234322 0.08649510 # 25 Pt25 0.25103790 0.75238415 0.08621071 # 26 Pt26 0.25142360 0.50191156 0.08686645 # 27 Pt27 0.00103629 0.75212678 0.08647994 # 28 Pt28 0.75101155 0.25174800 0.08776354 # 29 Pt29 0.75092191 0.00234618 0.08780590 # 30 Pt30 0.50122293 0.25189042 0.08810558 # 31 Pt31 0.00145137 0.00167662 0.08630878 # 32 Pt32 0.33420805 0.33667413 0.16529534 # 33 Pt33 0.08410152 0.58600577 0.16422161 # 34 Pt34 0.08421309 0.33552148 0.16395542 # 35 Pt35 0.83376625 0.58600777 0.16401221 # 36 Pt36 0.58442877 0.08702620 0.16606810 # 37 Pt37 0.58376582 0.83658100 0.16402879 # 38 Pt38 0.33462910 0.08609996 0.16402791 # 39 Pt39 0.83391103 0.83579539 0.16449863 # 40 Pt40 0.58366744 0.58602472 0.16412755 # 41 Pt41 0.58359329 0.33654319 0.16595111 # 42 Pt42 0.33438094 0.58589376 0.16444848 # 43 Pt43 0.83354668 0.33631472 0.16456524 # 44 Pt44 0.33378608 0.83620037 0.16398573 # 45 Pt45 0.08320346 0.08591759 0.16393468 # 46 Pt46 0.08333463 0.83659248 0.16405256 # 47 Pt47 0.83176199 0.08710891 0.16603387 # 48 Pt48 0.41599493 0.42254017 0.24525900 # 49 Pt49 0.41580342 0.17015517 0.24398076 # 50 Pt50 0.16646196 0.42004896 0.24338480 # 51 Pt51 0.66522743 0.17268793 0.24861799 # 52 Pt52 0.16612800 0.67055211 0.24316177 # 53 Pt53 0.91648380 0.92037588 0.24366786 # 54 Pt54 0.91656251 0.67035598 0.24321730 # 55 Pt55 0.66624982 0.92043636 0.24364768 # 56 Pt56 0.16661377 0.17003304 0.24300015 # 57 Pt57 0.91707039 0.42008743 0.24309627 # 58 Pt58 0.91730999 0.16987478 0.24353140 # 59 Pt59 0.66673121 0.42217075 0.24410357 # 60 Pt60 0.41656925 0.92034216 0.24321891 # 61 Pt61 0.41631971 0.67153400 0.24345458 # 62 Pt62 0.16655087 0.92017091 0.24325569 # 63 Pt63 0.66699542 0.67044914 0.24310908 # 64 Pt64 0.30619931 0.42029467 0.33882214 # 65 H65 0.63889216 0.21273292 0.30042607 # 66 H66 0.28497802 0.51398764 0.34740382 # 67 O67 0.50830537 0.38088464 0.39182601 # 68 O68 0.39946832 0.64044286 0.37328249 # 69 O69 0.43526938 0.49964264 0.36041512 # 70 S70