No title 1.0 11.08689800 0.00000000 0.00000000 5.54344833 9.60153570 0.00000000 0.00000000 0.00000000 29.05241400 Pt S H O 64 1 2 3 Direct 0.67246627 0.67001469 0.01135138 # 1 Pt1 0.42246627 0.92001469 0.01135138 # 2 Pt2 0.42246627 0.67001469 0.01135138 # 3 Pt3 0.17246627 0.92001469 0.01135138 # 4 Pt4 0.92246627 0.42001469 0.01135138 # 5 Pt5 0.92246627 0.17001469 0.01135138 # 6 Pt6 0.67246627 0.42001469 0.01135138 # 7 Pt7 0.17246627 0.17001469 0.01135138 # 8 Pt8 0.92246627 0.92001469 0.01135138 # 9 Pt9 0.92246627 0.67001469 0.01135138 # 10 Pt10 0.67246627 0.92001469 0.01135138 # 11 Pt11 0.17246627 0.67001469 0.01135138 # 12 Pt12 0.67246627 0.17001469 0.01135138 # 13 Pt13 0.42246627 0.42001469 0.01135138 # 14 Pt14 0.42246627 0.17001469 0.01135138 # 15 Pt15 0.17246627 0.42001469 0.01135138 # 16 Pt16 0.75579927 0.75334769 0.08924857 # 17 Pt17 0.75579927 0.50334769 0.08924857 # 18 Pt18 0.50579927 0.75334769 0.08924857 # 19 Pt19 0.00579927 0.50334769 0.08924857 # 20 Pt20 0.50579927 0.00334769 0.08924857 # 21 Pt21 0.25579927 0.25334769 0.08924857 # 22 Pt22 0.25579927 0.00334769 0.08924857 # 23 Pt23 0.00579927 0.25334769 0.08924857 # 24 Pt24 0.50579927 0.50334769 0.08924857 # 25 Pt25 0.25579927 0.75334769 0.08924857 # 26 Pt26 0.25579927 0.50334769 0.08924857 # 27 Pt27 0.00579927 0.75334769 0.08924857 # 28 Pt28 0.75579927 0.25334769 0.08924857 # 29 Pt29 0.75579927 0.00334769 0.08924857 # 30 Pt30 0.50579927 0.25334769 0.08924857 # 31 Pt31 0.00579927 0.00334769 0.08924857 # 32 Pt32 0.34031427 0.33917169 0.16912311 # 33 Pt33 0.08832327 0.58696969 0.16646179 # 34 Pt34 0.08978427 0.33684269 0.16666810 # 35 Pt35 0.83857827 0.58704869 0.16666254 # 36 Pt36 0.58877427 0.08838769 0.16783927 # 37 Pt37 0.58805327 0.83850669 0.16681886 # 38 Pt38 0.33899327 0.08831169 0.16663398 # 39 Pt39 0.83826327 0.83770169 0.16686885 # 40 Pt40 0.58790427 0.58756069 0.16714974 # 41 Pt41 0.58783427 0.33636269 0.16868194 # 42 Pt42 0.33961127 0.58628269 0.16736477 # 43 Pt43 0.83900127 0.33713669 0.16617138 # 44 Pt44 0.33956927 0.83523569 0.16807414 # 45 Pt45 0.08921627 0.08736469 0.16670539 # 46 Pt46 0.08789227 0.83859169 0.16638086 # 47 Pt47 0.83714027 0.08878369 0.16732192 # 48 Pt48 0.41962427 0.42140569 0.25093929 # 49 Pt49 0.42023627 0.16989169 0.24676640 # 50 Pt50 0.16846827 0.42133369 0.24607210 # 51 Pt51 0.67327227 0.16870469 0.25020771 # 52 Pt52 0.16587627 0.67487469 0.24426139 # 53 Pt53 0.92059627 0.92182869 0.24603560 # 54 Pt54 0.92014627 0.67190669 0.24600069 # 55 Pt55 0.67075727 0.92134769 0.24627920 # 56 Pt56 0.17077627 0.17210069 0.24635220 # 57 Pt57 0.92126427 0.42154469 0.24588246 # 58 Pt58 0.92222027 0.17122469 0.24593801 # 59 Pt59 0.67574627 0.41942369 0.24443199 # 60 Pt60 0.42062927 0.92416269 0.24638791 # 61 Pt61 0.41866127 0.67764569 0.24727898 # 62 Pt62 0.16803827 0.92479969 0.24636886 # 63 Pt63 0.67221627 0.67243769 0.24563569 # 64 Pt64 0.42361027 0.48480569 0.32392407 # 65 S1 0.25062527 0.46528469 0.34808861 # 66 H1 0.68003627 0.16405869 0.30365868 # 67 H2 0.26830627 0.54357769 0.34571929 # 68 O1 0.42882127 0.61749269 0.32241567 # 69 O2 0.52280927 0.37876069 0.35444833 # 70 O3