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 0.31600192 0.99433380 0.73305770 # 1 Pt1 0.59672282 0.25531867 0.05410361 # 2 Pt2 0.44770895 0.42489092 0.66669131 # 3 Pt3 0.45339962 0.89162516 0.79233369 # 4 Pt4 0.43226443 0.79514538 0.24897075 # 5 Pt5 0.41145968 0.73461779 0.02116727 # 6 Pt6 0.12616698 0.25036645 0.45187097 # 7 Pt7 0.34447082 0.96213433 0.70562163 # 8 Pt8 0.76864809 0.86456470 0.53041895 # 9 Pt9 0.17639239 0.02377098 0.49481963 # 10 Pt10 0.21060158 0.06929318 0.77435377 # 11 Pt11 0.22561724 0.47271274 0.39651986 # 12 Pt12 0.86635592 0.09112934 0.25026630 # 13 Pt13 0.67304828 0.57701694 0.68385653 # 14 Pt14 0.28118598 0.54391095 0.84700573 # 15 Pt15 0.96022778 0.70276256 0.12495112 # 16 Pt16 0.88052247 0.29048043 0.66966633 # 17 Pt17 0.59705300 0.92188767 0.44829809 # 18 Pt18 0.05228890 0.37399213 0.60459896 # 19 Pt19 0.47381067 0.00968429 0.38050861 # 20 Pt20 0.00832755 0.63021214 0.64298511 # 21 Pt21 0.60909458 0.78283009 0.43177474 # 22 Pt22 0.71325813 0.41761676 0.14585876 # 23 Pt23 0.78160805 0.45146696 0.70897082 # 24 Pt24 0.14442933 0.42341754 0.13764373 # 25 Pt25 0.66381813 0.03019680 0.88167019 # 26 Pt26 0.25559638 0.73060845 0.73175014 # 27 Pt27 0.68043563 0.79274301 0.89195806 # 28 Pt28 0.94638063 0.26237261 0.26385385 # 29 Pt29 0.37616769 0.51464035 0.07396986 # 30 Pt30 0.21890881 0.09091055 0.07847087 # 31 Pt31 0.18744809 0.56444485 0.28512057 # 32 Pt32 0.63823203 0.64106529 0.35838308 # 33 Pt33 0.00581238 0.46055238 0.59409158 # 34 Pt34 0.03090231 0.23864622 0.13374182 # 35 Pt35 0.76955233 0.10238595 0.18727391 # 36 Pt36 0.51582208 0.54949021 0.81445775 # 37 Pt37 0.04358329 0.74348092 0.28664678 # 38 Pt38 0.46213744 0.41822160 0.71629048 # 39 Pt39 0.53587421 0.15710250 0.81754942 # 40 Pt40 0.28893147 0.69950375 0.82845991 # 41 Pt41 0.37714601 0.49766923 0.29400626 # 42 Pt42 0.58870734 0.02897505 0.41294937 # 43 Pt43 0.25514626 0.95611859 0.97895181 # 44 Pt44 0.40846534 0.26614993 0.81059280 # 45 Pt45 0.46316130 0.36811292 0.03648379 # 46 Pt46 0.36846371 0.98067715 0.32825090 # 47 Pt47 0.91102966 0.17382174 0.31532735 # 48 Pt48 0.04314699 0.92097324 0.75804602 # 49 Pt49 0.82417898 0.51455585 0.50029184 # 50 Pt50 0.34809109 0.93653048 0.15531754 # 51 Pt51 0.36513054 0.46394009 0.16766305 # 52 Pt52 0.68907916 0.32313021 0.41676190 # 53 Pt53 0.66425551 0.78746398 0.64238395 # 54 Pt54 0.88648892 0.03691387 0.70240691 # 55 Pt55 0.79115069 0.87140450 0.67799731 # 56 Pt56 0.91289061 0.51287425 0.43136806 # 57 Pt57 0.25442217 0.32847687 0.79431739 # 58 Pt58 0.88541070 0.73079645 0.00737248 # 59 Pt59 0.81410484 0.71720326 0.94583958 # 60 Pt60 0.28008648 0.93494102 0.79210824 # 61 Pt61 0.02051754 0.52847527 0.52080864 # 62 Pt62 0.14045090 0.70344439 0.89005106 # 63 Pt63 0.69385716 0.88097045 0.78967083 # 64 Pt64 0.07187540 0.39604900 0.83680642 # 65 H65 0.58251252 0.13046038 0.53190723 # 66 H66 0.90144620 0.49749017 0.28944958 # 67 O67 0.09421249 0.26962533 0.49536891 # 68 O68 0.13157811 0.88081597 0.58651292 # 69 O69 0.02885036 0.84761927 0.88449439 # 70 S70