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 0.23752186 0.37589264 0.90916815 # 1 Pt1 0.86505410 0.76333261 0.46142252 # 2 Pt2 0.09692088 0.66390931 0.32948187 # 3 Pt3 0.10196859 0.04038723 0.74263950 # 4 Pt4 0.05266214 0.47243529 0.45164556 # 5 Pt5 0.34339043 0.56749947 0.05710595 # 6 Pt6 0.75213555 0.32345028 0.10393234 # 7 Pt7 0.25381665 0.40449948 0.27410370 # 8 Pt8 0.88879518 0.66658609 0.34166643 # 9 Pt9 0.60252644 0.11336606 0.20665106 # 10 Pt10 0.29636961 0.83505312 0.26599134 # 11 Pt11 0.30832015 0.02212637 0.06359113 # 12 Pt12 0.40866233 0.43905632 0.59583910 # 13 Pt13 0.14992058 0.24637831 0.42766565 # 14 Pt14 0.67186354 0.47255963 0.58137405 # 15 Pt15 0.97385445 0.65983731 0.20739667 # 16 Pt16 0.81684469 0.02752168 0.54533977 # 17 Pt17 0.47150073 0.89325617 0.87526919 # 18 Pt18 0.01732258 0.28111502 0.19206421 # 19 Pt19 0.50998710 0.89394791 0.38131546 # 20 Pt20 0.73622531 0.59942431 0.59708392 # 21 Pt21 0.91958922 0.35680164 0.24391232 # 22 Pt22 0.35437765 0.69162794 0.63822393 # 23 Pt23 0.42483752 0.62594506 0.56216298 # 24 Pt24 0.48663246 0.09418830 0.94622764 # 25 Pt25 0.34960129 0.70473015 0.55470862 # 26 Pt26 0.43523151 0.29591271 0.29872922 # 27 Pt27 0.52354916 0.76195003 0.23291090 # 28 Pt28 0.47330687 0.99057173 0.61807283 # 29 Pt29 0.48045973 0.32364515 0.69249310 # 30 Pt30 0.42943185 0.42601833 0.80371995 # 31 Pt31 0.26613299 0.78292501 0.34982472 # 32 Pt32 0.22278269 0.91857309 0.24622618 # 33 Pt33 0.50178480 0.05348326 0.51884746 # 34 Pt34 0.97479683 0.35903046 0.66409893 # 35 Pt35 0.51788056 0.15431994 0.62937182 # 36 Pt36 0.56548515 0.91396090 0.63857210 # 37 Pt37 0.59776738 0.73246428 0.97062171 # 38 Pt38 0.49963509 0.66159919 0.52878888 # 39 Pt39 0.72573120 0.97057828 0.52799433 # 40 Pt40 0.27506033 0.07938334 0.69323179 # 41 Pt41 0.20499419 0.31797489 0.60666562 # 42 Pt42 0.05852561 0.88785574 0.80860915 # 43 Pt43 0.51787508 0.01866810 0.28679761 # 44 Pt44 0.27355285 0.06881767 0.91544114 # 45 Pt45 0.00103205 0.74972589 0.53025901 # 46 Pt46 0.03327008 0.15663314 0.95366987 # 47 Pt47 0.85395172 0.31466706 0.10799999 # 48 Pt48 0.81206486 0.71466993 0.92128085 # 49 Pt49 0.14234858 0.34841852 0.44065091 # 50 Pt50 0.95955316 0.61859179 0.72915658 # 51 Pt51 0.10579122 0.11310005 0.05050660 # 52 Pt52 0.52334916 0.32749862 0.29645479 # 53 Pt53 0.57159154 0.27818534 0.37011127 # 54 Pt54 0.64527614 0.01908417 0.37787943 # 55 Pt55 0.33619575 0.05409977 0.73371146 # 56 Pt56 0.86111904 0.35288722 0.80461744 # 57 Pt57 0.28240375 0.16779716 0.57594104 # 58 Pt58 0.48652329 0.50370555 0.62585096 # 59 Pt59 0.32848476 0.26464032 0.39763261 # 60 Pt60 0.94321243 0.05685124 0.48519370 # 61 Pt61 0.63050235 0.83827714 0.28112158 # 62 Pt62 0.92451242 0.19433386 0.00974490 # 63 Pt63 0.40455684 0.83745564 0.44230744 # 64 Pt64 0.69646824 0.03557239 0.82981186 # 65 H65 0.83119793 0.34361885 0.93505342 # 66 H66 0.03503997 0.13912768 0.15151030 # 67 O67 0.47781228 0.49932101 0.75892294 # 68 O68 0.14854518 0.61250728 0.78497680 # 69 O69 0.94278289 0.12715647 0.75272098 # 70 S70