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 0.06492070 0.66808361 0.86861053 # 1 Pt1 0.12029259 0.16266430 0.37349552 # 2 Pt2 0.37793218 0.17656205 0.56450966 # 3 Pt3 0.70355072 0.97255716 0.40840895 # 4 Pt4 0.52235154 0.10107369 0.66504177 # 5 Pt5 0.04122121 0.06110911 0.40853429 # 6 Pt6 0.39017765 0.02097500 0.36335451 # 7 Pt7 0.96615614 0.57480394 0.50655835 # 8 Pt8 0.21627378 0.40110940 0.77497224 # 9 Pt9 0.80791752 0.24628964 0.57132037 # 10 Pt10 0.65284306 0.62042686 0.94305989 # 11 Pt11 0.30394308 0.07979679 0.08163285 # 12 Pt12 0.90745157 0.03078896 0.12404210 # 13 Pt13 0.04386810 0.55854991 0.12434402 # 14 Pt14 0.79487365 0.65445367 0.61198751 # 15 Pt15 0.20336739 0.80500261 0.03427608 # 16 Pt16 0.75170234 0.91261667 0.53631778 # 17 Pt17 0.57822441 0.57044522 0.31770540 # 18 Pt18 0.10564375 0.10257454 0.05634635 # 19 Pt19 0.40524216 0.10657821 0.27990157 # 20 Pt20 0.75045030 0.75987091 0.01470996 # 21 Pt21 0.00958086 0.39965100 0.07969717 # 22 Pt22 0.01912248 0.80396894 0.51533852 # 23 Pt23 0.19474132 0.23903201 0.35801961 # 24 Pt24 0.93499217 0.19197153 0.33541812 # 25 Pt25 0.02411936 0.71022758 0.02813525 # 26 Pt26 0.09583719 0.86471386 0.65046803 # 27 Pt27 0.08883696 0.95821495 0.36723914 # 28 Pt28 0.93270513 0.52013478 0.14978675 # 29 Pt29 0.37962860 0.43622645 0.32630617 # 30 Pt30 0.62285597 0.66666234 0.82733678 # 31 Pt31 0.26024556 0.46060674 0.11338669 # 32 Pt32 0.52682264 0.88544431 0.08115269 # 33 Pt33 0.43209479 0.34341309 0.72893088 # 34 Pt34 0.40055705 0.31123959 0.29430545 # 35 Pt35 0.69039451 0.78429000 0.80675274 # 36 Pt36 0.99981412 0.37899579 0.38574609 # 37 Pt37 0.30104476 0.89756816 0.26451065 # 38 Pt38 0.73696136 0.17319474 0.15060178 # 39 Pt39 0.50567835 0.70168702 0.13595647 # 40 Pt40 0.81434006 0.48963271 0.54680338 # 41 Pt41 0.19080788 0.40223758 0.39608570 # 42 Pt42 0.73468669 0.61857023 0.11430000 # 43 Pt43 0.11399715 0.95524937 0.61853626 # 44 Pt44 0.08517831 0.38711510 0.53172273 # 45 Pt45 0.17701435 0.04266192 0.15100971 # 46 Pt46 0.59118634 0.44643525 0.07321319 # 47 Pt47 0.68700297 0.04265989 0.98818320 # 48 Pt48 0.59143251 0.91823118 0.33225384 # 49 Pt49 0.43485428 0.18932090 0.90018978 # 50 Pt50 0.40171336 0.87070611 0.13003881 # 51 Pt51 0.81241140 0.46624840 0.33917402 # 52 Pt52 0.99488463 0.71572766 0.31506442 # 53 Pt53 0.15433671 0.03647870 0.68310743 # 54 Pt54 0.11649200 0.29342669 0.05792980 # 55 Pt55 0.50438371 0.43230810 0.30589289 # 56 Pt56 0.15858327 0.24552849 0.02344669 # 57 Pt57 0.91062998 0.99797575 0.52676360 # 58 Pt58 0.15782811 0.88679858 0.77193442 # 59 Pt59 0.24831266 0.45020783 0.71315116 # 60 Pt60 0.02341607 0.87613167 0.34047538 # 61 Pt61 0.32936094 0.32071445 0.76633014 # 62 Pt62 0.20910711 0.46977982 0.93577936 # 63 Pt63 0.82282838 0.17096602 0.47310353 # 64 Pt64 0.66673518 0.91050329 0.79430405 # 65 H65 0.59642236 0.49453307 0.56968351 # 66 H66 0.89243945 0.70738531 0.98312715 # 67 O67 0.57635863 0.39186076 0.24624976 # 68 O68 0.31433307 0.47797662 0.49998142 # 69 O69 0.94976774 0.99513060 0.81120752 # 70 S70