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 0.39234438 0.78653915 0.64951549 # 1 Pt1 0.22305042 0.23359394 0.70330797 # 2 Pt2 0.50807251 0.13683734 0.11421945 # 3 Pt3 0.53816189 0.60470447 0.69798917 # 4 Pt4 0.18276737 0.38156058 0.36179284 # 5 Pt5 0.27449190 0.28134753 0.10637485 # 6 Pt6 0.38226460 0.17191789 0.60950729 # 7 Pt7 0.42921406 0.19670943 0.00719299 # 8 Pt8 0.71299110 0.70988472 0.00352837 # 9 Pt9 0.73597218 0.95086779 0.34682587 # 10 Pt10 0.87774488 0.23570671 0.80427942 # 11 Pt11 0.55656193 0.12431721 0.76357422 # 12 Pt12 0.36857361 0.40329161 0.17951124 # 13 Pt13 0.49869709 0.29575432 0.78540946 # 14 Pt14 0.56501315 0.75028499 0.13532301 # 15 Pt15 0.26278934 0.52501489 0.04954089 # 16 Pt16 0.88034638 0.43136566 0.86408084 # 17 Pt17 0.83946584 0.71097795 0.27354077 # 18 Pt18 0.54194675 0.68056043 0.37739895 # 19 Pt19 0.53794773 0.49403892 0.81548595 # 20 Pt20 0.10794079 0.23651008 0.58781113 # 21 Pt21 0.50897831 0.98206876 0.12976715 # 22 Pt22 0.52216358 0.03606093 0.84903599 # 23 Pt23 0.87084937 0.74886808 0.39561637 # 24 Pt24 0.46203996 0.29010386 0.18852913 # 25 Pt25 0.75889215 0.09129491 0.35551891 # 26 Pt26 0.79911705 0.56396881 0.25137492 # 27 Pt27 0.37485330 0.90888583 0.21699362 # 28 Pt28 0.20093399 0.04163529 0.97423228 # 29 Pt29 0.47445437 0.34889884 0.99834581 # 30 Pt30 0.82857801 0.09300690 0.85559448 # 31 Pt31 0.10674571 0.43651574 0.81698217 # 32 Pt32 0.98247388 0.85173489 0.53586577 # 33 Pt33 0.89850624 0.95104624 0.22880411 # 34 Pt34 0.59963159 0.77274847 0.43495466 # 35 Pt35 0.39517432 0.06607948 0.45077104 # 36 Pt36 0.35402710 0.16269495 0.65017753 # 37 Pt37 0.79989440 0.18298848 0.41471148 # 38 Pt38 0.32734277 0.06579322 0.52766689 # 39 Pt39 0.42101745 0.95411075 0.08717026 # 40 Pt40 0.01254267 0.20129649 0.66778328 # 41 Pt41 0.32692889 0.72617585 0.30039844 # 42 Pt42 0.97184097 0.69942127 0.25246334 # 43 Pt43 0.49987739 0.96727488 0.71525376 # 44 Pt44 0.71317840 0.07767106 0.94795803 # 45 Pt45 0.69025106 0.71992336 0.54327021 # 46 Pt46 0.93916758 0.83041801 0.55739254 # 47 Pt47 0.75087109 0.46856236 0.84771298 # 48 Pt48 0.46961924 0.66934310 0.12840282 # 49 Pt49 0.03787924 0.44909887 0.06984034 # 50 Pt50 0.30368352 0.21422748 0.77861188 # 51 Pt51 0.50821860 0.52709700 0.95977028 # 52 Pt52 0.80165827 0.54900888 0.84040302 # 53 Pt53 0.21346445 0.80806537 0.51750496 # 54 Pt54 0.04568971 0.44029489 0.00944761 # 55 Pt55 0.25103059 0.73769899 0.79522276 # 56 Pt56 0.45956145 0.06818930 0.79700400 # 57 Pt57 0.98641123 0.77331825 0.77713002 # 58 Pt58 0.11022917 0.70922638 0.10492381 # 59 Pt59 0.52260604 0.86962208 0.46502490 # 60 Pt60 0.13027617 0.17720790 0.55640969 # 61 Pt61 0.53924049 0.01716550 0.74495301 # 62 Pt62 0.52641087 0.42090400 0.44589104 # 63 Pt63 0.21925722 0.36059329 0.85439789 # 64 Pt64 0.71668529 0.09106879 0.29027066 # 65 H65 0.89699887 0.13071417 0.30569113 # 66 H66 0.99870870 0.81863535 0.95408762 # 67 O67 0.01415149 0.28832493 0.42294365 # 68 O68 0.62544549 0.49835051 0.83396598 # 69 O69 0.88091506 0.72553462 0.22590933 # 70 S70