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 0.87107318 0.40353077 0.93058914 # 1 Pt1 0.51284698 0.13848471 0.76936851 # 2 Pt2 0.40433519 0.20747348 0.03454123 # 3 Pt3 0.21411791 0.97329374 0.04228128 # 4 Pt4 0.10648863 0.88716041 0.52143101 # 5 Pt5 0.97340601 0.30477486 0.11106791 # 6 Pt6 0.87412034 0.34722059 0.57573209 # 7 Pt7 0.90204532 0.50734022 0.17588272 # 8 Pt8 0.24989634 0.61417728 0.91425398 # 9 Pt9 0.26864330 0.97919889 0.99074129 # 10 Pt10 0.42152740 0.44864816 0.37192653 # 11 Pt11 0.99517817 0.19753167 0.06737956 # 12 Pt12 0.60150199 0.82703244 0.60668760 # 13 Pt13 0.63767309 0.95268289 0.50254693 # 14 Pt14 0.85297424 0.64269400 0.68317357 # 15 Pt15 0.29560131 0.84217684 0.82730191 # 16 Pt16 0.51328191 0.34301047 0.83828172 # 17 Pt17 0.06410267 0.86838566 0.51668686 # 18 Pt18 0.93961087 0.87399983 0.31068584 # 19 Pt19 0.90618895 0.81038534 0.13662238 # 20 Pt20 0.59272516 0.00836788 0.21174293 # 21 Pt21 0.59068205 0.41582710 0.53587443 # 22 Pt22 0.04634436 0.26417748 0.35817586 # 23 Pt23 0.68535500 0.35921252 0.74255356 # 24 Pt24 0.56307885 0.39992887 0.78476809 # 25 Pt25 0.72806703 0.76974488 0.98816325 # 26 Pt26 0.01378241 0.15421399 0.64017297 # 27 Pt27 0.38396800 0.04480261 0.83464817 # 28 Pt28 0.89545625 0.53883732 0.50586321 # 29 Pt29 0.52762263 0.11192322 0.74820808 # 30 Pt30 0.21481751 0.71528336 0.63503294 # 31 Pt31 0.01742333 0.92745718 0.62970180 # 32 Pt32 0.06900932 0.60676480 0.58087599 # 33 Pt33 0.93546286 0.74397510 0.10806446 # 34 Pt34 0.78713310 0.84893540 0.87857563 # 35 Pt35 0.29375595 0.70894306 0.65109209 # 36 Pt36 0.67608182 0.01349185 0.30135124 # 37 Pt37 0.98031972 0.43412356 0.68832520 # 38 Pt38 0.99452677 0.01736834 0.70062859 # 39 Pt39 0.37453101 0.17579334 0.90294853 # 40 Pt40 0.17207426 0.60508590 0.67975798 # 41 Pt41 0.88245888 0.96721117 0.26645905 # 42 Pt42 0.60827840 0.38353086 0.82180506 # 43 Pt43 0.48396901 0.59067187 0.71640191 # 44 Pt44 0.38598430 0.97372480 0.94587053 # 45 Pt45 0.33995310 0.70298209 0.95606043 # 46 Pt46 0.38356942 0.42210390 0.68353957 # 47 Pt47 0.71789326 0.36372579 0.18395364 # 48 Pt48 0.35350633 0.71439614 0.56824298 # 49 Pt49 0.86467799 0.06510138 0.70830040 # 50 Pt50 0.92969781 0.34347195 0.67720307 # 51 Pt51 0.81144029 0.02251246 0.36064576 # 52 Pt52 0.65222145 0.31349791 0.94412494 # 53 Pt53 0.82332963 0.77439247 0.25596306 # 54 Pt54 0.42464034 0.66659679 0.57658960 # 55 Pt55 0.87973863 0.33731144 0.51684724 # 56 Pt56 0.42461902 0.73403418 0.69294167 # 57 Pt57 0.08416949 0.45083773 0.50155935 # 58 Pt58 0.08156453 0.41818779 0.60078646 # 59 Pt59 0.22561033 0.19932507 0.43458349 # 60 Pt60 0.93660646 0.23068179 0.71391570 # 61 Pt61 0.51070585 0.31609597 0.06041103 # 62 Pt62 0.34526186 0.96183431 0.48718783 # 63 Pt63 0.17910145 0.89459064 0.38142623 # 64 Pt64 0.40292988 0.90292444 0.43875048 # 65 H65 0.46126085 0.19735051 0.72943138 # 66 H66 0.46750575 0.53148510 0.50280080 # 67 O67 0.57275158 0.75951677 0.41328372 # 68 O68 0.53339929 0.72623302 0.49810085 # 69 O69 0.73545047 0.55903995 0.83714078 # 70 S70