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 0.39083519 0.10621369 0.41054287 # 1 Pt1 0.13789541 0.86986057 0.30155475 # 2 Pt2 0.80297309 0.49423621 0.51121161 # 3 Pt3 0.13132258 0.71124549 0.43647821 # 4 Pt4 0.37217407 0.18826215 0.58786127 # 5 Pt5 0.80374956 0.04580656 0.51090669 # 6 Pt6 0.06635543 0.68156348 0.18037702 # 7 Pt7 0.99491036 0.59629734 0.92264368 # 8 Pt8 0.79365491 0.01454083 0.16515497 # 9 Pt9 0.37071957 0.22294264 0.15125073 # 10 Pt10 0.11238625 0.29718614 0.82968986 # 11 Pt11 0.47466041 0.93749072 0.02922550 # 12 Pt12 0.18563882 0.42714341 0.14754324 # 13 Pt13 0.42816935 0.45829694 0.17987073 # 14 Pt14 0.39825636 0.15590013 0.42745659 # 15 Pt15 0.67594555 0.91594376 0.91846825 # 16 Pt16 0.78845489 0.48124463 0.79911803 # 17 Pt17 0.82713911 0.50540787 0.09444157 # 18 Pt18 0.77987778 0.27254474 0.02091176 # 19 Pt19 0.01050570 0.86511973 0.96228047 # 20 Pt20 0.74544484 0.62347753 0.24331611 # 21 Pt21 0.07756068 0.15402270 0.33325222 # 22 Pt22 0.10844006 0.72661697 0.28769935 # 23 Pt23 0.07971460 0.45015050 0.11942215 # 24 Pt24 0.47598636 0.77181228 0.80170276 # 25 Pt25 0.49909727 0.10046268 0.50302977 # 26 Pt26 0.84848907 0.67946726 0.30969103 # 27 Pt27 0.36757480 0.72823753 0.56761314 # 28 Pt28 0.69391150 0.98509586 0.51819410 # 29 Pt29 0.27270516 0.87148752 0.15072205 # 30 Pt30 0.04926157 0.00737236 0.49956844 # 31 Pt31 0.41644032 0.12395898 0.14564456 # 32 Pt32 0.12048941 0.27449825 0.82534467 # 33 Pt33 0.44511418 0.68992466 0.00298384 # 34 Pt34 0.82775349 0.45523156 0.60087162 # 35 Pt35 0.84802065 0.30643816 0.55658727 # 36 Pt36 0.89970966 0.61291810 0.67030732 # 37 Pt37 0.58369469 0.60842289 0.37905443 # 38 Pt38 0.33816590 0.09135548 0.79184445 # 39 Pt39 0.99215356 0.42151642 0.21026271 # 40 Pt40 0.25595845 0.96580971 0.28280446 # 41 Pt41 0.67603856 0.32766648 0.99611753 # 42 Pt42 0.12290317 0.30642899 0.57990033 # 43 Pt43 0.06191249 0.41698528 0.54470240 # 44 Pt44 0.05876937 0.18166675 0.23179988 # 45 Pt45 0.72518635 0.35776635 0.70823303 # 46 Pt46 0.33844854 0.85816720 0.67376574 # 47 Pt47 0.60031356 0.21994944 0.07594370 # 48 Pt48 0.23172606 0.65770314 0.79477214 # 49 Pt49 0.73009920 0.75007623 0.81860819 # 50 Pt50 0.12023909 0.40752958 0.23328011 # 51 Pt51 0.30494488 0.22069645 0.50470660 # 52 Pt52 0.80269042 0.06563900 0.08481836 # 53 Pt53 0.04263530 0.24434353 0.32426687 # 54 Pt54 0.82762154 0.57985453 0.16148756 # 55 Pt55 0.51026925 0.98841470 0.59877727 # 56 Pt56 0.09447627 0.64195781 0.84728317 # 57 Pt57 0.78928740 0.85743516 0.88330928 # 58 Pt58 0.73185178 0.13827797 0.04971773 # 59 Pt59 0.13769098 0.68500702 0.84603387 # 60 Pt60 0.22139030 0.56912032 0.25253145 # 61 Pt61 0.52220537 0.97592078 0.83576688 # 62 Pt62 0.67151027 0.31577427 0.08980777 # 63 Pt63 0.19300348 0.13821561 0.57592678 # 64 Pt64 0.02458277 0.90728925 0.40351054 # 65 H65 0.68380158 0.77264436 0.32395420 # 66 H66 0.59168934 0.14230361 0.35137340 # 67 O67 0.66923141 0.76113688 0.35942527 # 68 O68 0.35436112 0.12348948 0.85621217 # 69 O69 0.43861602 0.93366834 0.98087343 # 70 S70