#MD System 2.0 @Title amorphous(poly(Untitled)) 1 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} FFAtomType string {{}} FFCharge double 0.0 Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} C 0.0 {0.393409626204 0.978634420362 0.796559001028} Untitled_1::C1 1 1 1 {} H 0.0 {0.433855062885 0.898280053688 0.59169788245} Untitled_1::H1 2 1 6 {} C 0.0 {0.439152269508 0.95907573095 0.720289666114} Untitled_1::C2 3 1 6 {} C 0.0 {0.401551910148 0.911528712911 0.653189851917} Untitled_1::C3 4 1 6 {} C 0.0 {0.310826931656 0.943520263312 0.814132731047} Untitled_1::C4 5 1 1 {} H 0.0 {0.276284668956 0.95776100028 0.874427851678} Untitled_1::H2 6 1 6 {} C 0.0 {0.280092094805 0.882803881375 0.753012797343} Untitled_1::C5 7 1 6 {} C 0.0 {0.323450877175 0.871404556111 0.674264477732} Untitled_1::C6 8 1 6 {} C 0.0 {0.456444911845 0.025086278773 0.855415439621} Untitled_1::C7 9 1 6 {} C 0.0 {0.533511559749 0.977042265628 0.734527154548} Untitled_1::C8 10 1 7 {} N 0.0 {0.541517204741 0.00855704569068 0.820040180783} Untitled_1::N1 11 1 6 {} C 0.0 {0.283012939695 0.800083108326 0.624514666947} Untitled_1::C9 12 1 6 {} C 0.0 {0.211249991183 0.812762921331 0.757831974377} Untitled_1::C10 13 1 7 {} N 0.0 {0.223581294081 0.757903040104 0.682027402332} Untitled_1::N2 14 1 8 {} O 0.0 {0.593660703293 0.960046849229 0.685091514971} Untitled_1::O1 15 1 8 {} O 0.0 {0.441291414862 0.0678828172356 0.920320664539} Untitled_1::O2 16 1 8 {} O 0.0 {0.156289736762 0.80102611235 0.813373415877} Untitled_1::O3 17 1 8 {} O 0.0 {0.300152401092 0.781578237552 0.549017087108} Untitled_1::O4 18 1 6 {} C 0.0 {0.194217931242 0.669842988872 0.669760133134} Untitled_1::C11 19 1 1 {} H 0.0 {0.219334133273 0.513997599797 0.516001573294} Untitled_1::H3 20 1 6 {} C 0.0 {0.216386568965 0.628506249157 0.591457056082} Untitled_1::C12 21 1 1 {} H 0.0 {0.250318000505 0.664645718826 0.541128325007} Untitled_1::H4 22 1 6 {} C 0.0 {0.198379000405 0.541497468393 0.577537169098} Untitled_1::C13 23 1 6 {} C 0.0 {0.150185405924 0.619283480717 0.732607406082} Untitled_1::C14 24 1 1 {} H 0.0 {0.130706285771 0.648028386036 0.794521657538} Untitled_1::H5 25 1 6 {} C 0.0 {0.129580299101 0.531213135806 0.715927516423} Untitled_1::C15 26 1 1 {} H 0.0 {0.0924459431993 0.496352804382 0.765292318981} Untitled_1::H6 27 1 6 {} C 0.0 {0.154282478906 0.48934241086 0.638160207435} Untitled_1::C16 28 1 6 {} C 0.0 {0.126015537567 0.400400507821 0.601739632187} Untitled_1::C17 29 1 6 {} C 0.0 {0.10857867147 0.310835967973 0.653318466749} Untitled_1::C18 30 1 1 {} H 0.0 {0.0998025403446 0.31379581695 0.879228947449} Untitled_1::H7 31 1 6 {} C 0.0 {0.13308798805 0.323654152357 0.745909918003} Untitled_1::C19 32 1 1 {} H 0.0 {0.193089149339 0.357972315668 0.760582720554} Untitled_1::H8 33 1 6 {} C 0.0 {0.0804741967757 0.29970415411 0.812186679292} Untitled_1::C20 34 1 6 {} C 0.0 {0.0312309524867 0.245478074617 0.634892336703} Untitled_1::C21 35 1 1 {} H 0.0 {0.986689172382 0.277396128485 0.589393133222} Untitled_1::H9 36 1 6 {} C 0.0 {0.978941129985 0.227817000504 0.715116817185} Untitled_1::C22 37 1 1 {} H 0.0 {0.919303388977 0.190667008748 0.705065945333} Untitled_1::H10 38 1 6 {} C 0.0 {0.000117270551824 0.255056355011 0.795780628357} Untitled_1::C23 39 1 6 {} C 0.0 {0.0651151167087 0.422722105309 0.523755154505} Untitled_1::C25 40 1 6 {} C 0.0 {0.182373459139 0.318919183086 0.587766919823} Untitled_1::C26 41 1 9 {} F 0.0 {0.193517275768 -0.00829301336323 0.584652000597} Untitled_1::F1 42 1 9 {} F 0.0 {0.335472942497 0.0791435753526 0.531499840934} Untitled_1::F2 43 1 9 {} F 0.0 {0.206872949122 0.131046066442 0.848267256005} Untitled_1::F3 44 1 9 {} F 0.0 {0.110360860126 0.448910641393 0.4516094165} Untitled_1::F4 45 1 9 {} F 0.0 {0.0109335360535 0.360051425822 0.495181629094} Untitled_1::F5 46 1 9 {} F 0.0 {0.0122657092798 0.490129291295 0.548475938666} Untitled_1::F6 47 1 6 {} C 0.0 {0.746505098919 0.189623058347 0.64002137961} Untitled_2::C1 48 1 1 {} H 0.0 {0.854921581515 0.354630760462 0.534787696409} Untitled_2::H1 49 1 6 {} C 0.0 {0.789867675508 0.268604041157 0.627491209251} Untitled_2::C2 50 1 6 {} C 0.0 {0.825708625627 0.29117142895 0.546833236603} Untitled_2::C3 51 1 6 {} C 0.0 {0.744139378237 0.123938588427 0.577928918702} Untitled_2::C4 52 1 1 {} H 0.0 {0.711768191899 0.0619405147558 0.589949479544} Untitled_2::H2 53 1 6 {} C 0.0 {0.784836003197 0.144834519722 0.499523058355} Untitled_2::C5 54 1 6 {} C 0.0 {0.82167276901 0.226416546042 0.482727529173} Untitled_2::C6 55 1 6 {} C 0.0 {0.705928649891 0.191088223952 0.727493064649} Untitled_2::C7 56 1 6 {} C 0.0 {0.794777479735 0.313036184733 0.714322387817} Untitled_2::C8 57 1 7 {} N 0.0 {0.741772411467 0.263104887072 0.772431727663} Untitled_2::N1 58 1 6 {} C 0.0 {0.85282515949 0.226430841947 0.390029398813} Untitled_2::C9 59 1 6 {} C 0.0 {0.795123996321 0.0892955586923 0.421279456233} Untitled_2::C10 60 1 7 {} N 0.0 {0.836357650658 0.140269296991 0.357040135805} Untitled_2::N2 61 1 8 {} O 0.0 {0.839784133785 0.375473625307 0.733232228377} Untitled_2::O1 62 1 8 {} O 0.0 {0.649789343651 0.142178501407 0.754701667954} Untitled_2::O2 63 1 8 {} O 0.0 {0.773100187325 0.0128093711374 0.414407850336} Untitled_2::O3 64 1 8 {} O 0.0 {0.884233576203 0.286228645346 0.349011538051} Untitled_2::O4 65 1 6 {} C 0.0 {0.851203222089 0.110948950936 0.269817400459} Untitled_2::C11 66 1 1 {} H 0.0 {0.982658968735 0.141236668207 0.0946515399906} Untitled_2::H3 67 1 6 {} C 0.0 {0.918573673987 0.143811595237 0.217558388294} Untitled_2::C12 68 1 1 {} H 0.0 {0.963108259888 0.192729097997 0.243148054998} Untitled_2::H4 69 1 6 {} C 0.0 {0.92848711454 0.114539281184 0.131820170944} Untitled_2::C13 70 1 6 {} C 0.0 {0.796537871829 0.0472965508115 0.234555000615} Untitled_2::C14 71 1 1 {} H 0.0 {0.745936071902 0.0180485105982 0.274002545274} Untitled_2::H5 72 1 6 {} C 0.0 {0.805494115188 0.0210675976334 0.148540814226} Untitled_2::C15 73 1 1 {} H 0.0 {0.758843775633 -0.0255739866757 0.122742834426} Untitled_2::H6 74 1 6 {} C 0.0 {0.870796346827 0.0537736890799 0.0946202524523} Untitled_2::C16 75 1 6 {} C 0.0 {0.875599178437 0.0183499206747 2.77231289763e-05} Untitled_2::C17 76 1 6 {} C 0.0 {0.784382747508 0.00740962552101 0.956941278717} Untitled_2::C18 77 1 1 {} H 0.0 {0.588571041806 0.113826251457 0.952404693795} Untitled_2::H7 78 1 6 {} C 0.0 {0.718397648067 0.0670002052975 0.97681898433} Untitled_2::C19 79 1 1 {} H 0.0 {0.731196952713 0.117491181079 0.0248101210327} Untitled_2::H8 80 1 6 {} C 0.0 {0.637714238988 0.0661395522722 0.93507702192} Untitled_2::C20 81 1 6 {} C 0.0 {0.765414865774 -0.0547606195664 0.892469531685} Untitled_2::C21 82 1 1 {} H 0.0 {0.812906117398 -0.10396968205 0.873954313338} Untitled_2::H9 83 1 6 {} C 0.0 {0.685817672982 -0.0548437748059 0.848674612335} Untitled_2::C22 84 1 1 {} H 0.0 {0.674882429718 -0.103437817375 0.798421129947} Untitled_2::H10 85 1 6 {} C 0.0 {0.621448549854 0.00704781309737 0.868001995246} Untitled_2::C23 86 1 6 {} C 0.0 {0.926688239419 0.0822098840729 0.940570062613} Untitled_2::C25 87 1 6 {} C 0.0 {0.927658969146 -0.0693903843875 0.00196616815832} Untitled_2::C26 88 1 9 {} F 0.0 {-0.044019149893 -0.0944533828495 0.921600090115} Untitled_2::F1 89 1 9 {} F 0.0 {-0.000975113666601 -0.0641594012698 0.0538352889565} Untitled_2::F2 90 1 9 {} F 0.0 {0.877112585871 -0.135111778728 0.0333653666403} Untitled_2::F3 91 1 9 {} F 0.0 {0.0143332416531 0.0828602270772 0.95538995888} Untitled_2::F4 92 1 9 {} F 0.0 {0.915404777799 0.0651969372255 0.854770078672} Untitled_2::F5 93 1 9 {} F 0.0 {0.897728149106 0.165265423709 0.95420292956} Untitled_2::F6 94 1 6 {} C 0.0 {0.532545070547 0.739683119277 0.412294245362} Untitled_3::C1 95 1 1 {} H 0.0 {0.56694543036 0.876049086976 0.586252540777} Untitled_3::H1 96 1 6 {} C 0.0 {0.534118754819 0.766989187512 0.498501869811} Untitled_3::C2 97 1 6 {} C 0.0 {0.555331550693 0.853766457259 0.519822752034} Untitled_3::C3 98 1 6 {} C 0.0 {0.537289530708 0.796621887409 0.343735724391} Untitled_3::C4 99 1 1 {} H 0.0 {0.531324860399 0.774348915586 0.277913574334} Untitled_3::H2 100 1 6 {} C 0.0 {0.545568387963 0.882936906426 0.364995200262} Untitled_3::C5 101 1 6 {} C 0.0 {0.560648025109 0.912063642662 0.44940821084} Untitled_3::C6 102 1 6 {} C 0.0 {0.516365908363 0.645643229297 0.406328735997} Untitled_3::C7 103 1 6 {} C 0.0 {0.498637321598 0.691441764804 0.549194911712} Untitled_3::C8 104 1 7 {} N 0.0 {0.495584467865 0.618290557493 0.49066981185} Untitled_3::N1 105 1 6 {} C 0.0 {0.57674830555 0.00901708694629 0.441388821597} Untitled_3::C9 106 1 6 {} C 0.0 {0.539126922444 0.95625620467 0.305174685866} Untitled_3::C10 107 1 7 {} N 0.0 {0.569047908288 0.0299562466644 0.350033443412} Untitled_3::N2 108 1 8 {} O 0.0 {0.468083424021 0.691744494989 0.622212582941} Untitled_3::O1 109 1 8 {} O 0.0 {0.518530228321 0.599737180427 0.34134233493} Untitled_3::O2 110 1 8 {} O 0.0 {0.508495007121 0.954144608497 0.231523105753} Untitled_3::O3 111 1 8 {} O 0.0 {0.590838321802 0.0621595674928 0.498236562148} Untitled_3::O4 112 1 6 {} C 0.0 {0.591617356427 0.107514344723 0.303491888223} Untitled_3::C11 113 1 1 {} H 0.0 {0.631437580833 0.324117232716 0.322222322316} Untitled_3::H3 114 1 6 {} C 0.0 {0.601079486078 0.18982983724 0.341613788119} Untitled_3::C12 115 1 1 {} H 0.0 {0.59034756786 0.19860036736 0.411125793149} Untitled_3::H4 116 1 6 {} C 0.0 {0.624891163284 0.261276563764 0.290197707604} Untitled_3::C13 117 1 6 {} C 0.0 {0.60803408703 0.0991897741251 0.214099716856} Untitled_3::C14 118 1 1 {} H 0.0 {0.60345599419 0.0367160765421 0.181845594874} Untitled_3::H5 119 1 6 {} C 0.0 {0.629524486112 0.170784061404 0.164034785362} Untitled_3::C15 120 1 1 {} H 0.0 {0.638297527812 0.161465533672 0.0945697560078} Untitled_3::H6 121 1 6 {} C 0.0 {0.638647913143 0.253086070039 0.19997449057} Untitled_3::C16 122 1 6 {} C 0.0 {0.653309800968 0.331426425708 0.137767187606} Untitled_3::C17 123 1 6 {} C 0.0 {0.679533333072 0.308782905555 0.0415530896722} Untitled_3::C18 124 1 1 {} H 0.0 {0.585173916333 0.247178870456 0.849447215796} Untitled_3::H7 125 1 6 {} C 0.0 {0.616618887751 0.282199098852 0.980569147037} Untitled_3::C19 126 1 1 {} H 0.0 {0.549185389208 0.272027994581 -0.000132461811593} Untitled_3::H8 127 1 6 {} C 0.0 {0.636662815098 0.268068287981 0.893188938364} Untitled_3::C20 128 1 6 {} C 0.0 {0.764487638498 0.319802561119 0.0089492073458} Untitled_3::C21 129 1 1 {} H 0.0 {0.817966065386 0.33894310473 0.0509892594679} Untitled_3::H9 130 1 6 {} C 0.0 {0.784554268867 0.307880358314 0.921161404245} Untitled_3::C22 131 1 1 {} H 0.0 {0.8505351305 0.320646723898 0.89898765314} Untitled_3::H10 132 1 6 {} C 0.0 {0.721178262003 0.280941659546 0.861885165023} Untitled_3::C23 133 1 6 {} C 0.0 {0.5619268669 0.377312067729 0.135484230387} Untitled_3::C25 134 1 6 {} C 0.0 {0.726409506014 0.390564179 0.177754817166} Untitled_3::C26 135 1 9 {} F 0.0 {0.753942694353 0.454509283351 0.123361708294} Untitled_3::F1 136 1 9 {} F 0.0 {0.704057602024 0.430270745337 0.253760147818} Untitled_3::F2 137 1 9 {} F 0.0 {0.796996291608 0.339718472724 0.195666583277} Untitled_3::F3 138 1 9 {} F 0.0 {0.542684179725 0.420152136409 0.210746073953} Untitled_3::F4 139 1 9 {} F 0.0 {0.553568613504 0.434998841101 0.0691349187784} Untitled_3::F5 140 1 9 {} F 0.0 {0.497018104225 0.317433233796 0.124724285478} Untitled_3::F6 141 1 6 {} C 0.0 {0.388629309002 0.884384813738 0.0275973809097} Untitled_4::C1 142 1 1 {} H 0.0 {0.175763829158 0.859812251357 0.0920348075963} Untitled_4::H1 143 1 6 {} C 0.0 {0.30425305306 0.850346662061 0.0314507935665} Untitled_4::C2 144 1 6 {} C 0.0 {0.240655281807 0.88787400534 0.0852315079869} Untitled_4::C3 145 1 6 {} C 0.0 {0.412041435468 0.962505753282 0.0661927861314} Untitled_4::C4 146 1 1 {} H 0.0 {0.476295252926 0.991229291878 0.0597548526607} Untitled_4::H2 147 1 6 {} C 0.0 {0.347983649523 0.000843258016523 0.117004689241} Untitled_4::C5 148 1 6 {} C 0.0 {0.26655159016 0.962451328929 0.13116454058} Untitled_4::C6 149 1 6 {} C 0.0 {0.443258764071 0.826272417593 -0.0292638816944} Untitled_4::C7 150 1 6 {} C 0.0 {0.300801651841 0.772596710134 -0.0286051138142} Untitled_4::C8 151 1 7 {} N 0.0 {0.380887216974 0.773534268896 0.925071462371} Untitled_4::N1 152 1 6 {} C 0.0 {0.22460082775 0.010488336841 0.205505985632} Untitled_4::C9 153 1 6 {} C 0.0 {0.356018558357 0.0805370161114 0.170857467765} Untitled_4::C10 154 1 7 {} N 0.0 {0.282094406091 0.0799865046559 0.227060113613} Untitled_4::N2 155 1 8 {} O 0.0 {0.242895044944 0.71931780102 -0.0381392367851} Untitled_4::O1 156 1 8 {} O 0.0 {0.499581098168 0.764944311928 0.0107306706644} Untitled_4::O2 157 1 8 {} O 0.0 {0.412595912628 0.135954947244 0.170551366407} Untitled_4::O3 158 1 8 {} O 0.0 {0.157289312744 0.9937220259 0.24401185193} Untitled_4::O4 159 1 6 {} C 0.0 {0.286233841406 0.128041115427 0.306708824265} Untitled_4::C11 160 1 1 {} H 0.0 {0.245563436393 0.0230286092009 0.572938561288} Untitled_4::H3 161 1 6 {} C 0.0 {0.299654860794 0.0835423895909 0.384810986514} Untitled_4::C12 162 1 1 {} H 0.0 {0.297979071918 0.0125359898935 0.387997121498} Untitled_4::H4 163 1 6 {} C 0.0 {0.31961381219 0.130516749484 0.459358294233} Untitled_4::C13 164 1 6 {} C 0.0 {0.289676964088 0.218979450188 0.307346542415} Untitled_4::C14 165 1 1 {} H 0.0 {0.279117893127 0.255572988999 0.247421096999} Untitled_4::H5 166 1 6 {} C 0.0 {0.309035561059 0.263430556845 0.384267787409} Untitled_4::C15 167 1 1 {} H 0.0 {0.310644801772 0.33432604669 0.382297309539} Untitled_4::H6 168 1 6 {} C 0.0 {0.326922855377 0.221507151518 0.463892514277} Untitled_4::C16 169 1 6 {} C 0.0 {0.350376497684 0.275108034029 0.546889412643} Untitled_4::C17 170 1 6 {} C 0.0 {0.383380024449 0.367850972586 0.526506749933} Untitled_4::C18 171 1 1 {} H 0.0 {0.538153375667 0.47097490418 0.405127897475} Untitled_4::H7 172 1 6 {} C 0.0 {0.448886289332 0.381697655135 0.464154741931} Untitled_4::C19 173 1 1 {} H 0.0 {0.471344467295 0.328437249588 0.422974438705} Untitled_4::H8 174 1 6 {} C 0.0 {0.48769299686 0.462839537575 0.453971487314} Untitled_4::C20 175 1 6 {} C 0.0 {0.359775424026 0.438746844301 0.578201019008} Untitled_4::C21 176 1 1 {} H 0.0 {0.313126460882 0.432525810433 0.630740873578} Untitled_4::H9 177 1 6 {} C 0.0 {0.396061944184 0.520898739327 0.567200808254} Untitled_4::C22 178 1 1 {} H 0.0 {0.375684748293 0.574053748486 0.609063681934} Untitled_4::H10 179 1 6 {} C 0.0 {0.460229986508 0.534018169035 0.504893497339} Untitled_4::C23 180 1 6 {} C 0.0 {0.271880678323 0.277657439272 0.613490055992} Untitled_4::C25 181 1 6 {} C 0.0 {0.430828343677 0.232308634095 0.597398691811} Untitled_4::C26 182 1 9 {} F 0.0 {0.472313903331 0.291358299793 0.648544959053} Untitled_4::F1 183 1 9 {} F 0.0 {0.411545623077 0.164454134882 0.650375395715} Untitled_4::F2 184 1 9 {} F 0.0 {0.490015115561 0.203808451784 0.538066732864} Untitled_4::F3 185 1 9 {} F 0.0 {0.247078732048 0.191921137491 0.629397032423} Untitled_4::F4 186 1 9 {} F 0.0 {0.302181165433 0.308259269302 0.692011625469} Untitled_4::F5 187 1 9 {} F 0.0 {0.165966273924 0.283286559623 0.50685481229} Untitled_4::F6 188 1 6 {} C 0.0 {0.133436768173 0.697785180951 0.359573500386} Untitled_5::C1 189 1 1 {} H 0.0 {0.00280679054279 0.534327115958 0.278931356228} Untitled_5::H1 190 1 6 {} C 0.0 {0.105449661097 0.629342427974 0.306302596241} Untitled_5::C2 191 1 6 {} C 0.0 {0.0260240083605 0.587227723288 0.32022976926} Untitled_5::C3 192 1 6 {} C 0.0 {0.0883412609917 0.725415426882 0.432877406552} Untitled_5::C4 193 1 1 {} H 0.0 {0.112738793143 0.776562934155 0.47558546763} Untitled_5::H2 194 1 6 {} C 0.0 {0.0115810423042 0.680312603096 0.448679550506} Untitled_5::C5 195 1 6 {} C 0.0 {-0.0200856963225 0.615609856623 0.393338963741} Untitled_5::C6 196 1 6 {} C 0.0 {0.218920174341 0.729167110115 0.328672075671} Untitled_5::C7 197 1 6 {} C 0.0 {0.176427921954 0.610743018746 0.242034668925} Untitled_5::C8 198 1 7 {} N 0.0 {0.243268434381 0.67268842097 0.259379441571} Untitled_5::N1 199 1 6 {} C 0.0 {0.896507855741 0.583011803644 0.430856490236} Untitled_5::C9 200 1 6 {} C 0.0 {0.953552881188 0.687457774438 0.525216788868} Untitled_5::C10 201 1 7 {} N 0.0 {0.882522981879 0.630319302052 0.51019017503} Untitled_5::N2 202 1 8 {} O 0.0 {0.179255310351 0.553705688034 0.186924824877} Untitled_5::O1 203 1 8 {} O 0.0 {0.260929342827 0.790242859735 0.357393148684} Untitled_5::O2 204 1 8 {} O 0.0 {0.966409517095 0.733044414021 0.589189278682} Untitled_5::O3 205 1 8 {} O 0.0 {0.849360749572 0.526584932684 0.401077250043} Untitled_5::O4 206 1 6 {} C 0.0 {0.811931717165 0.617301600611 0.568975480336} Untitled_5::C11 207 1 1 {} H 0.0 {0.620750579369 0.508691628962 0.583678044349} Untitled_5::H3 208 1 6 {} C 0.0 {0.738371185314 0.568869951563 0.54496853809} Untitled_5::C12 209 1 1 {} H 0.0 {0.732464704786 0.542934127165 0.479418478006} Untitled_5::H4 210 1 6 {} C 0.0 {0.674308759438 0.549091404506 0.606191948151} Untitled_5::C13 211 1 6 {} C 0.0 {0.814086967362 0.652366705478 0.653250624783} Untitled_5::C14 212 1 1 {} H 0.0 {0.867611054422 0.69379621141 0.673282787743} Untitled_5::H5 213 1 6 {} C 0.0 {0.749243449599 0.632495422761 0.713165322476} Untitled_5::C15 214 1 1 {} H 0.0 {0.756504270602 0.660049798941 0.777911642492} Untitled_5::H6 215 1 6 {} C 0.0 {0.67996743019 0.576088758004 0.693384462884} Untitled_5::C16 216 1 6 {} C 0.0 {0.620663874743 0.538032476493 0.766560918614} Untitled_5::C17 217 1 6 {} C 0.0 {0.543528502565 0.595153139293 0.796871962447} Untitled_5::C18 218 1 1 {} H 0.0 {0.480141212848 0.806151901314 0.790610269984} Untitled_5::H7 219 1 6 {} C 0.0 {0.542467494537 0.682862859618 0.775015398999} Untitled_5::C19 220 1 1 {} H 0.0 {0.591139789709 0.709512083936 0.73089955204} Untitled_5::H8 221 1 6 {} C 0.0 {0.479726243101 0.738115247597 0.809316266461} Untitled_5::C20 222 1 6 {} C 0.0 {0.476759781356 0.563419868316 0.851067072569} Untitled_5::C21 223 1 1 {} H 0.0 {0.473910325914 0.495125321506 0.8691674389} Untitled_5::H9 224 1 6 {} C 0.0 {0.415907290295 0.619091943687 0.889017500226} Untitled_5::C22 225 1 1 {} H 0.0 {0.36897767124 0.593798393658 0.935861484685} Untitled_5::H10 226 1 6 {} C 0.0 {0.420309855176 0.708098242114 0.871312239819} Untitled_5::C23 227 1 6 {} C 0.0 {0.583637140255 0.449362517017 0.734819241354} Untitled_5::C25 228 1 6 {} C 0.0 {0.67985650662 0.524168808035 0.848586449614} Untitled_5::C26 229 1 9 {} F 0.0 {0.641184219275 0.474909504144 0.910694449651} Untitled_5::F1 230 1 9 {} F 0.0 {0.756679105315 0.485798991521 0.829207797864} Untitled_5::F2 231 1 9 {} F 0.0 {0.698703580366 0.602371187769 0.885889845534} Untitled_5::F3 232 1 9 {} F 0.0 {0.644712661111 0.397842066577 0.69612441746} Untitled_5::F4 233 1 9 {} F 0.0 {0.54633370797 0.399446547295 0.797611046183} Untitled_5::F5 234 1 9 {} F 0.0 {0.520529264536 0.463933255459 0.674752981268} Untitled_5::F6 235 1 6 {} C 0.0 {-0.00400770912401 0.0166603971357 0.561145532927} Untitled_6::C1 236 1 1 {} H 0.0 {0.044246385749 0.0351811123548 0.342284916266} Untitled_6::H1 237 1 6 {} C 0.0 {0.0241899712703 0.0529434619447 0.482486047217} Untitled_6::C2 238 1 6 {} C 0.0 {0.0173723347376 0.0100497336923 0.402995469487} Untitled_6::C3 239 1 6 {} C 0.0 {0.943028574341 -0.0576438754848 0.562690610097} Untitled_6::C4 240 1 1 {} H 0.0 {0.914816713287 -0.0835306072379 0.622390914373} Untitled_6::H2 241 1 6 {} C 0.0 {0.924173073893 -0.0933408565376 0.480937608091} Untitled_6::C5 242 1 6 {} C 0.0 {0.966950379352 -0.0650549765462 0.405637933719} Untitled_6::C6 243 1 6 {} C 0.0 {0.0255511838961 0.078012142122 0.631195982626} Untitled_6::C7 244 1 6 {} C 0.0 {0.0432903436104 0.146148881511 0.497626711039} Untitled_6::C8 245 1 7 {} N 0.0 {0.0473753442027 0.159044141896 0.589750248506} Untitled_6::N1 246 1 6 {} C 0.0 {0.93828617795 -0.119369336263 0.331168989134} Untitled_6::C9 247 1 6 {} C 0.0 {0.85357445405 0.845370457183 0.452607494194} Untitled_6::C10 248 1 7 {} N 0.0 {0.864862660842 0.832301453272 0.361157548984} Untitled_6::N2 249 1 8 {} O 0.0 {0.0446809541482 0.201092351306 0.44047968978} Untitled_6::O1 250 1 8 {} O 0.0 {0.0318510933415 0.0639067149737 0.709149337347} Untitled_6::O2 251 1 8 {} O 0.0 {0.794695029444 0.815110134206 0.496447625866} Untitled_6::O3 252 1 8 {} O 0.0 {0.971263144582 -0.123675272537 0.259116858058} Untitled_6::O4 253 1 6 {} C 0.0 {0.802042875038 0.795529263552 0.302956692539} Untitled_6::C11 254 1 1 {} H 0.0 {0.730307505688 0.831616960068 0.0972088202116} Untitled_6::H3 255 1 6 {} C 0.0 {0.796766352603 0.828042897018 0.218021751993} Untitled_6::C12 256 1 1 {} H 0.0 {0.84540976452 0.873119590731 0.194638780632} Untitled_6::H4 257 1 6 {} C 0.0 {0.730139627127 0.803556837729 0.162136026127} Untitled_6::C13 258 1 6 {} C 0.0 {0.743322773141 0.730024223093 0.326647467504} Untitled_6::C14 259 1 1 {} H 0.0 {0.746332358445 0.700349383413 0.390756485548} Untitled_6::H5 260 1 6 {} C 0.0 {0.678245307066 0.703804129966 0.268469106904} Untitled_6::C15 261 1 1 {} H 0.0 {0.634511121255 0.651574948185 0.287790603824} Untitled_6::H6 262 1 6 {} C 0.0 {0.666209018321 0.74376434011 0.18736979154} Untitled_6::C16 263 1 6 {} C 0.0 {0.593937830886 0.713594601322 0.122839442088} Untitled_6::C17 264 1 6 {} C 0.0 {0.500281076701 0.694759161218 0.158553045216} Untitled_6::C18 265 1 1 {} H 0.0 {0.330050001924 0.817668151495 0.229954000887} Untitled_6::H7 266 1 6 {} C 0.0 {0.449181613081 0.7668891987 0.180544504338} Untitled_6::C19 267 1 1 {} H 0.0 {0.475791277237 0.832234061468 0.176395971386} Untitled_6::H8 268 1 6 {} C 0.0 {0.364974775857 0.759502048218 0.211154136498} Untitled_6::C20 269 1 6 {} C 0.0 {0.45867294139 0.613672786863 0.162154974825} Untitled_6::C21 270 1 1 {} H 0.0 {0.492098674709 0.554574653733 0.143625148437} Untitled_6::H9 271 1 6 {} C 0.0 {0.373221968761 0.604577817794 0.192150303209} Untitled_6::C22 272 1 1 {} H 0.0 {0.34431437878 0.540148092525 0.19545640146} Untitled_6::H10 273 1 6 {} C 0.0 {0.32633817298 0.677678962826 0.219356376467} Untitled_6::C23 274 1 6 {} C 0.0 {0.578591608815 0.782807709806 0.0479173070307} Untitled_6::C25 275 1 6 {} C 0.0 {0.632086314064 0.629829819399 0.0833832635383} Untitled_6::C26 276 1 9 {} F 0.0 {0.582056780394 0.599036835669 0.017494268431} Untitled_6::F1 277 1 9 {} F 0.0 {0.714580376189 0.639425132921 0.0535416944534} Untitled_6::F2 278 1 9 {} F 0.0 {0.635504571872 0.56829234769 0.147173802328} Untitled_6::F3 279 1 9 {} F 0.0 {0.642812445255 0.780219912219 0.985390273334} Untitled_6::F4 280 1 9 {} F 0.0 {0.495730077338 0.876865939763 0.916944970958} Untitled_6::F5 281 1 9 {} F 0.0 {0.580692946503 0.866903981055 0.0800616908048} Untitled_6::F6 282 1 1 {} H 0.0 {0.956560286191 0.241118769444 0.849866399849} H_head 283 1 1 {} H 0.0 {0.156643969081 0.133830751517 0.813081260018} H_tail 284 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {15.36200766 15.36200766 15.36200766 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15.36200766 0 0} {0 15.36200766 0} {0 0 15.36200766}} {{0.0650956582064 0 0} {0 0.0650956582064 0} {0 0 0.0650956582064}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 2 0 0 0 4 0 0 0 8 0 0 0 3 1 0 0 3 2 0 0 9 2 0 0 7 3 0 0 5 4 0 0 6 4 0 0 7 6 0 0 12 6 0 0 11 7 0 0 10 8 0 0 15 8 0 0 10 9 0 0 14 9 0 0 85 10 0 0 13 11 0 0 17 11 0 0 13 12 0 0 16 12 0 0 18 13 0 0 20 18 0 0 23 18 0 0 22 19 0 0 21 20 0 0 22 20 0 0 27 22 0 0 24 23 0 0 25 23 0 0 26 25 0 0 27 25 0 0 28 27 0 0 29 28 0 0 39 28 0 0 40 28 0 0 31 29 0 0 34 29 0 0 40 29 0 0 33 30 0 0 32 31 0 0 33 31 0 0 38 33 0 0 35 34 0 0 36 34 0 0 245 34 0 0 37 36 0 0 38 36 0 0 282 38 0 0 44 39 0 0 45 39 0 0 46 39 0 0 180 40 0 0 187 40 0 0 160 41 0 0 163 42 0 0 283 43 0 0 49 47 0 0 51 47 0 0 55 47 0 0 50 48 0 0 50 49 0 0 56 49 0 0 54 50 0 0 52 51 0 0 53 51 0 0 54 53 0 0 59 53 0 0 58 54 0 0 57 55 0 0 62 55 0 0 57 56 0 0 61 56 0 0 132 57 0 0 60 58 0 0 64 58 0 0 60 59 0 0 63 59 0 0 65 60 0 0 67 65 0 0 70 65 0 0 69 66 0 0 68 67 0 0 69 67 0 0 74 69 0 0 71 70 0 0 72 70 0 0 73 72 0 0 74 72 0 0 75 74 0 0 76 75 0 0 86 75 0 0 87 75 0 0 78 76 0 0 81 76 0 0 80 77 0 0 79 78 0 0 80 78 0 0 85 80 0 0 82 81 0 0 83 81 0 0 84 83 0 0 85 83 0 0 91 86 0 0 92 86 0 0 93 86 0 0 88 87 0 0 89 87 0 0 90 87 0 0 96 94 0 0 98 94 0 0 102 94 0 0 97 95 0 0 97 96 0 0 103 96 0 0 101 97 0 0 99 98 0 0 100 98 0 0 101 100 0 0 106 100 0 0 105 101 0 0 104 102 0 0 109 102 0 0 104 103 0 0 108 103 0 0 179 104 0 0 107 105 0 0 111 105 0 0 107 106 0 0 110 106 0 0 112 107 0 0 114 112 0 0 117 112 0 0 116 113 0 0 115 114 0 0 116 114 0 0 121 116 0 0 118 117 0 0 119 117 0 0 120 119 0 0 121 119 0 0 122 121 0 0 123 122 0 0 133 122 0 0 134 122 0 0 125 123 0 0 128 123 0 0 127 124 0 0 126 125 0 0 127 125 0 0 132 127 0 0 129 128 0 0 130 128 0 0 131 130 0 0 132 130 0 0 138 133 0 0 139 133 0 0 140 133 0 0 135 134 0 0 136 134 0 0 137 134 0 0 143 141 0 0 145 141 0 0 149 141 0 0 144 142 0 0 144 143 0 0 150 143 0 0 148 144 0 0 146 145 0 0 147 145 0 0 148 147 0 0 153 147 0 0 152 148 0 0 151 149 0 0 156 149 0 0 280 149 0 0 151 150 0 0 155 150 0 0 226 151 0 0 154 152 0 0 158 152 0 0 154 153 0 0 157 153 0 0 159 154 0 0 274 156 0 0 161 159 0 0 164 159 0 0 162 161 0 0 163 161 0 0 168 163 0 0 165 164 0 0 166 164 0 0 167 166 0 0 168 166 0 0 169 168 0 0 170 169 0 0 180 169 0 0 181 169 0 0 172 170 0 0 175 170 0 0 174 171 0 0 173 172 0 0 174 172 0 0 179 174 0 0 176 175 0 0 177 175 0 0 178 177 0 0 179 177 0 0 185 180 0 0 186 180 0 0 182 181 0 0 183 181 0 0 184 181 0 0 190 188 0 0 192 188 0 0 196 188 0 0 191 189 0 0 191 190 0 0 197 190 0 0 195 191 0 0 193 192 0 0 194 192 0 0 195 194 0 0 200 194 0 0 199 195 0 0 198 196 0 0 203 196 0 0 198 197 0 0 202 197 0 0 273 198 0 0 201 199 0 0 205 199 0 0 201 200 0 0 204 200 0 0 206 201 0 0 208 206 0 0 211 206 0 0 210 207 0 0 209 208 0 0 210 208 0 0 215 210 0 0 212 211 0 0 213 211 0 0 214 213 0 0 215 213 0 0 216 215 0 0 217 216 0 0 227 216 0 0 228 216 0 0 219 217 0 0 222 217 0 0 221 218 0 0 220 219 0 0 221 219 0 0 226 221 0 0 223 222 0 0 224 222 0 0 225 224 0 0 226 224 0 0 232 227 0 0 233 227 0 0 234 227 0 0 229 228 0 0 230 228 0 0 231 228 0 0 237 235 0 0 239 235 0 0 243 235 0 0 238 236 0 0 238 237 0 0 244 237 0 0 242 238 0 0 240 239 0 0 241 239 0 0 242 241 0 0 247 241 0 0 246 242 0 0 245 243 0 0 250 243 0 0 245 244 0 0 249 244 0 0 248 246 0 0 252 246 0 0 248 247 0 0 251 247 0 0 253 248 0 0 255 253 0 0 258 253 0 0 257 254 0 0 256 255 0 0 257 255 0 0 262 257 0 0 259 258 0 0 260 258 0 0 261 260 0 0 262 260 0 0 263 262 0 0 264 263 0 0 274 263 0 0 275 263 0 0 266 264 0 0 269 264 0 0 268 265 0 0 267 266 0 0 268 266 0 0 273 268 0 0 270 269 0 0 271 269 0 0 272 271 0 0 273 271 0 0 279 274 0 0 281 274 0 0 276 275 0 0 277 275 0 0 278 275 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 2 0 {0 0 0} 0 1 4 0 {0 0 0} 0 2 0 8 {0 1 0} 0 3 3 1 {0 0 0} 0 4 3 2 {0 0 0} 0 5 9 2 {0 0 0} 0 6 7 3 {0 0 0} 0 7 5 4 {0 0 0} 0 8 6 4 {0 0 0} 0 9 7 6 {0 0 0} 0 10 12 6 {0 0 0} 0 11 11 7 {0 0 0} 0 12 10 8 {0 0 0} 0 13 15 8 {0 0 0} 0 14 9 10 {0 1 0} 0 15 14 9 {0 0 0} 0 16 85 10 {0 0 0} 0 17 13 11 {0 0 0} 0 18 17 11 {0 0 0} 0 19 13 12 {0 0 0} 0 20 16 12 {0 0 0} 0 21 18 13 {0 0 0} 0 22 20 18 {0 0 0} 0 23 23 18 {0 0 0} 0 24 22 19 {0 0 0} 0 25 21 20 {0 0 0} 0 26 22 20 {0 0 0} 0 27 27 22 {0 0 0} 0 28 24 23 {0 0 0} 0 29 25 23 {0 0 0} 0 30 26 25 {0 0 0} 0 31 27 25 {0 0 0} 0 32 28 27 {0 0 0} 0 33 29 28 {0 0 0} 0 34 39 28 {0 0 0} 0 35 40 28 {0 0 0} 0 36 31 29 {0 0 0} 0 37 34 29 {0 0 0} 0 38 40 29 {0 0 0} 0 39 33 30 {0 0 0} 0 40 32 31 {0 0 0} 0 41 33 31 {0 0 0} 0 42 38 33 {0 0 0} 0 43 35 34 {1 0 0} 0 44 36 34 {1 0 0} 0 45 245 34 {0 0 0} 0 46 37 36 {0 0 0} 0 47 36 38 {1 0 0} 0 48 282 38 {1 0 0} 0 49 44 39 {0 0 0} 0 50 45 39 {0 0 0} 0 51 46 39 {0 0 0} 0 52 180 40 {0 0 0} 0 53 187 40 {0 0 0} 0 54 41 160 {0 1 0} 0 55 163 42 {0 0 0} 0 56 283 43 {0 0 0} 0 57 49 47 {0 0 0} 0 58 51 47 {0 0 0} 0 59 55 47 {0 0 0} 0 60 50 48 {0 0 0} 0 61 50 49 {0 0 0} 0 62 56 49 {0 0 0} 0 63 54 50 {0 0 0} 0 64 52 51 {0 0 0} 0 65 53 51 {0 0 0} 0 66 54 53 {0 0 0} 0 67 59 53 {0 0 0} 0 68 58 54 {0 0 0} 0 69 57 55 {0 0 0} 0 70 62 55 {0 0 0} 0 71 57 56 {0 0 0} 0 72 61 56 {0 0 0} 0 73 132 57 {0 0 0} 0 74 60 58 {0 0 0} 0 75 64 58 {0 0 0} 0 76 60 59 {0 0 0} 0 77 63 59 {0 0 0} 0 78 65 60 {0 0 0} 0 79 67 65 {0 0 0} 0 80 70 65 {0 0 0} 0 81 69 66 {0 0 0} 0 82 68 67 {0 0 0} 0 83 69 67 {0 0 0} 0 84 74 69 {0 0 0} 0 85 71 70 {0 0 0} 0 86 72 70 {0 0 0} 0 87 73 72 {0 1 0} 0 88 74 72 {0 0 0} 0 89 75 74 {0 0 0} 0 90 76 75 {0 0 1} 0 91 86 75 {0 0 1} 0 92 87 75 {0 1 0} 0 93 78 76 {0 0 0} 0 94 81 76 {0 1 0} 0 95 80 77 {0 0 0} 0 96 78 79 {0 0 1} 0 97 80 78 {0 0 0} 0 98 85 80 {0 0 0} 0 99 82 81 {0 0 0} 0 100 83 81 {0 0 0} 0 101 84 83 {0 0 0} 0 102 83 85 {0 1 0} 0 103 86 91 {1 0 0} 0 104 92 86 {0 0 0} 0 105 93 86 {0 0 0} 0 106 88 87 {0 0 1} 0 107 89 87 {0 0 0} 0 108 90 87 {0 0 0} 0 109 96 94 {0 0 0} 0 110 98 94 {0 0 0} 0 111 102 94 {0 0 0} 0 112 97 95 {0 0 0} 0 113 97 96 {0 0 0} 0 114 103 96 {0 0 0} 0 115 101 97 {0 0 0} 0 116 99 98 {0 0 0} 0 117 100 98 {0 0 0} 0 118 101 100 {0 0 0} 0 119 106 100 {0 0 0} 0 120 101 105 {0 1 0} 0 121 104 102 {0 0 0} 0 122 109 102 {0 0 0} 0 123 104 103 {0 0 0} 0 124 108 103 {0 0 0} 0 125 179 104 {0 0 0} 0 126 107 105 {0 0 0} 0 127 111 105 {0 0 0} 0 128 106 107 {0 1 0} 0 129 110 106 {0 0 0} 0 130 112 107 {0 0 0} 0 131 114 112 {0 0 0} 0 132 117 112 {0 0 0} 0 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0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end