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 0.19110609 0.90501061 0.76639626 # 1 Pt1 0.82838435 0.79155713 0.90195699 # 2 Pt2 0.12680458 0.50406881 0.34479232 # 3 Pt3 0.35154468 0.70954567 0.27507510 # 4 Pt4 0.74872733 0.67273224 0.57293720 # 5 Pt5 0.54435541 0.22985265 0.95098611 # 6 Pt6 0.59878095 0.28061925 0.76142626 # 7 Pt7 0.55801014 0.30322177 0.83976806 # 8 Pt8 0.71095979 0.76943485 0.36757036 # 9 Pt9 0.15070456 0.91350077 0.21801876 # 10 Pt10 0.53830876 0.08866893 0.11650206 # 11 Pt11 0.21960217 0.94349071 0.91957871 # 12 Pt12 0.16530282 0.20113019 0.98231801 # 13 Pt13 0.48160067 0.90914835 0.63055492 # 14 Pt14 0.12885670 0.60549801 0.38198820 # 15 Pt15 0.09697359 0.30429797 0.19958056 # 16 Pt16 0.83831400 0.18774198 0.54203034 # 17 Pt17 0.57132685 0.21793667 0.42989628 # 18 Pt18 0.03890175 0.81125029 0.85931008 # 19 Pt19 0.72989467 0.81680609 0.46332615 # 20 Pt20 0.80575966 0.12375621 0.90853818 # 21 Pt21 0.26460834 0.98807950 0.05789122 # 22 Pt22 0.44287829 0.02871906 0.09361154 # 23 Pt23 0.47370026 0.58303562 0.27906238 # 24 Pt24 0.14676284 0.40750182 0.97718278 # 25 Pt25 0.70673732 0.74232549 0.89493284 # 26 Pt26 0.63421206 0.53989969 0.25253289 # 27 Pt27 0.29247388 0.07048245 0.25656778 # 28 Pt28 0.24587494 0.60901890 0.28714756 # 29 Pt29 0.66568548 0.65100509 0.22312110 # 30 Pt30 0.24222728 0.23382885 0.98956945 # 31 Pt31 0.37536504 0.77532071 0.69873161 # 32 Pt32 0.37990740 0.82358024 0.84386485 # 33 Pt33 0.31206414 0.19026667 0.77562843 # 34 Pt34 0.45637796 0.40610033 0.23617260 # 35 Pt35 0.33754103 0.57405555 0.58765374 # 36 Pt36 0.47198794 0.70333061 0.57996534 # 37 Pt37 0.84471746 0.05432422 0.04149672 # 38 Pt38 0.10612085 0.58631746 0.89466448 # 39 Pt39 0.05111295 0.66777537 0.93789718 # 40 Pt40 0.47823729 0.88108648 0.40840197 # 41 Pt41 0.55566976 0.76541074 0.16060378 # 42 Pt42 0.26498642 0.10775988 0.30250558 # 43 Pt43 0.29604410 0.84198243 0.16580403 # 44 Pt44 0.20733546 0.96215571 0.90360491 # 45 Pt45 0.26584751 0.71639044 0.70443899 # 46 Pt46 0.21069914 0.48080455 0.16545649 # 47 Pt47 0.21644130 0.39465853 0.28503671 # 48 Pt48 0.59047912 0.04842129 0.49496757 # 49 Pt49 0.74306575 0.68224394 0.51665528 # 50 Pt50 0.14890656 0.03917839 0.51027940 # 51 Pt51 0.71206519 0.53181024 0.88030537 # 52 Pt52 0.41315391 0.95829980 0.86761971 # 53 Pt53 0.96744013 0.47946274 0.21700612 # 54 Pt54 0.29593088 0.48089602 0.01607430 # 55 Pt55 0.29072819 0.00799993 0.42417179 # 56 Pt56 0.05407872 0.08015772 0.49293023 # 57 Pt57 0.27510428 0.25695308 0.72029944 # 58 Pt58 0.96066553 0.02141781 0.85507566 # 59 Pt59 0.96892600 0.65408022 0.95703340 # 60 Pt60 0.21888896 0.91168471 0.06786732 # 61 Pt61 0.98572365 0.09910717 0.75824104 # 62 Pt62 0.91977114 0.51198574 0.96066629 # 63 Pt63 0.40222845 0.58412223 0.51409948 # 64 Pt64 0.70355192 0.91852319 0.52379633 # 65 H65 0.31492417 0.62994007 0.08702308 # 66 H66 0.26347150 0.43641593 0.42933565 # 67 O67 0.29106819 0.81711381 0.89445001 # 68 O68 0.91453395 0.80803196 0.34231143 # 69 O69 0.27861028 0.07726615 0.19988136 # 70 S70