#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 {0.937803280761 0.366706638078 0.234434564941} Untitled_1::C1 1 1 6 {} C 0.0 {0.848022408129 0.438359843461 0.218515427357} Untitled_1::C2 2 1 9 {} F 0.0 {0.0018246979387 0.409006720367 0.298741669824} Untitled_1::F1 3 1 9 {} F 0.0 {0.899753686574 0.284737403428 0.281089794864} Untitled_1::F2 4 1 9 {} F 0.0 {0.773289108007 0.377609705806 0.184820621249} Untitled_1::F3 5 1 9 {} F 0.0 {0.822087788791 0.470088084402 0.310299455226} Untitled_1::F4 6 1 6 {} C 0.0 {-0.00199346901604 0.326427962968 0.144542493923} Untitled_1::C3 7 1 6 {} C 0.0 {0.94226886037 0.255907236068 0.0747366910252} Untitled_1::C4 8 1 9 {} F 0.0 {0.0305564173554 0.400676865633 0.0865629059963} Untitled_1::F5 9 1 9 {} F 0.0 {0.0782950895591 0.280412583476 0.185245327162} Untitled_1::F6 10 1 9 {} F 0.0 {0.945483590785 0.162969771319 0.11605215007} Untitled_1::F8 11 1 8 {} O 0.0 {-0.0220447612541 0.259453220857 0.977712819325} Untitled_1::O1 12 1 6 {} C 0.0 {0.071928463613 0.232826591862 0.949668651977} Untitled_1::C5 13 1 9 {} F 0.0 {0.14304800582 0.291919471315 0.986699796241} Untitled_1::F9 14 1 9 {} F 0.0 {0.0724322556669 0.241083546803 0.850172249161} Untitled_1::F10 15 1 9 {} F 0.0 {0.0945312439782 0.140496852202 0.975476065386} Untitled_1::F11 16 1 6 {} C 0.0 {0.0369824600519 0.601165901531 0.128592031683} Untitled_2::C1 17 1 6 {} C 0.0 {0.10869553406 0.691636368338 0.136257302124} Untitled_2::C2 18 1 9 {} F 0.0 {0.0451451865811 0.573477827397 0.0328372898508} Untitled_2::F1 19 1 9 {} F 0.0 {0.0776891719043 0.53173369262 0.18798982924} Untitled_2::F2 20 1 9 {} F 0.0 {0.194647183086 0.649181857009 0.105070441733} Untitled_2::F3 21 1 9 {} F 0.0 {0.0826524165513 0.762520987181 0.0710467060907} Untitled_2::F4 22 1 6 {} C 0.0 {0.927460067365 0.615048734358 0.150099840339} Untitled_2::C3 23 1 6 {} C 0.0 {0.845150589837 0.530466623768 0.145013137792} Untitled_2::C4 24 1 9 {} F 0.0 {0.921316468934 0.659214113331 0.240557999453} Untitled_2::F5 25 1 9 {} F 0.0 {0.899570332773 0.678937758291 0.0775085530579} Untitled_2::F6 26 1 9 {} F 0.0 {0.865633204393 0.483527181806 0.049450311529} Untitled_2::F8 27 1 8 {} O 0.0 {0.760945545821 0.570599834548 0.151036170785} Untitled_2::O1 28 1 6 {} C 0.0 {0.857160729708 0.863950569022 0.133847786993} Untitled_2::C5 29 1 9 {} F 0.0 {0.816913440845 0.802661229527 0.196631269117} Untitled_2::F9 30 1 9 {} F 0.0 {0.83381135723 0.837912689686 0.0435437113698} Untitled_2::F10 31 1 9 {} F 0.0 {0.954117901256 0.876276781086 0.143260849676} Untitled_2::F11 32 1 6 {} C 0.0 {0.284142001795 0.836864330045 0.321947798398} Untitled_3::C1 33 1 6 {} C 0.0 {0.397861111573 0.856271889271 0.302410798374} Untitled_3::C2 34 1 9 {} F 0.0 {0.271592346197 0.774843946558 0.399352917557} Untitled_3::F1 35 1 9 {} F 0.0 {0.237048296036 0.923992663714 0.333898445096} Untitled_3::F2 36 1 9 {} F 0.0 {0.453134182254 0.784440801087 0.344461263238} Untitled_3::F3 37 1 9 {} F 0.0 {0.406135498072 0.851038603121 0.204344597538} Untitled_3::F4 38 1 6 {} C 0.0 {0.240533204523 0.779678078604 0.234175069702} Untitled_3::C3 39 1 6 {} C 0.0 {0.133229428261 0.737988802057 0.239949667667} Untitled_3::C4 40 1 9 {} F 0.0 {0.235671945173 0.841695406262 0.155573025402} Untitled_3::F5 41 1 9 {} F 0.0 {0.306802758731 0.705060931339 0.221315610691} Untitled_3::F6 42 1 9 {} F 0.0 {0.07456988673 0.817332972015 0.257888891784} Untitled_3::F8 43 1 8 {} O 0.0 {0.12472953357 0.662409237719 0.307715962083} Untitled_3::O1 44 1 6 {} C 0.0 {0.07644595414 0.664241042982 0.396050013412} Untitled_3::C5 45 1 9 {} F 0.0 {0.0377499258906 0.752841007581 0.418555221864} Untitled_3::F9 46 1 9 {} F 0.0 {0.142770919881 0.636245337143 0.464865375291} Untitled_3::F10 47 1 9 {} F 0.0 {0.0022855489121 0.59791760814 0.396111506733} Untitled_3::F11 48 1 6 {} C 0.0 {0.643262295737 0.899271585212 0.295616685883} Untitled_4::C1 49 1 6 {} C 0.0 {0.651336670638 0.0999100598856 0.183608155725} Untitled_4::C2 50 1 9 {} F 0.0 {0.642602045197 0.803693678413 0.289801595781} Untitled_4::F1 51 1 9 {} F 0.0 {0.728647403534 0.935292260928 0.321478940836} Untitled_4::F2 52 1 9 {} F 0.0 {0.443436328895 0.0139956273941 0.237133362233} Untitled_4::F3 53 1 9 {} F 0.0 {0.643893670886 0.10123853366 0.0874041599626} Untitled_4::F4 54 1 6 {} C 0.0 {0.559620979253 0.953727315425 0.348363658234} Untitled_4::C3 55 1 6 {} C 0.0 {0.448804572061 0.957871609353 0.31926181594} Untitled_4::C4 56 1 9 {} F 0.0 {0.559876941923 0.911941172704 0.440284185668} Untitled_4::F5 57 1 9 {} F 0.0 {0.58945233309 0.0484367243153 0.354478571773} Untitled_4::F6 58 1 9 {} F 0.0 {0.402419206892 0.00765522324281 0.390074003534} Untitled_4::F8 59 1 8 {} O 0.0 {0.287185973982 0.164914268261 0.332590719872} Untitled_4::O1 60 1 6 {} C 0.0 {0.287151059125 0.145809912873 0.244957327727} Untitled_4::C5 61 1 9 {} F 0.0 {0.605458130227 0.180629475583 0.213648848359} Untitled_4::F9 62 1 9 {} F 0.0 {0.353160826274 0.178215319724 0.180567261368} Untitled_4::F10 63 1 9 {} F 0.0 {0.222177885031 0.0900769374699 0.198499409066} Untitled_4::F11 64 1 6 {} C 0.0 {0.48291053383 0.594461381518 0.941510472382} Untitled_5::C1 65 1 6 {} C 0.0 {0.35572114077 0.724865649744 0.944420053117} Untitled_5::C2 66 1 9 {} F 0.0 {0.495497796431 0.494435873552 0.937415905495} Untitled_5::F1 67 1 9 {} F 0.0 {0.491332197346 0.720830206726 0.777478247237} Untitled_5::F2 68 1 9 {} F 0.0 {0.214284953803 0.536052832053 0.971042299691} Untitled_5::F3 69 1 9 {} F 0.0 {0.331727228223 0.74250641087 0.0364361778641} Untitled_5::F4 70 1 6 {} C 0.0 {0.569394252573 0.636738747516 -0.0252604737941} Untitled_5::C3 71 1 6 {} C 0.0 {0.566831532873 0.828608294139 -0.022995692864} Untitled_5::C4 72 1 9 {} F 0.0 {0.550822573741 0.588198946479 0.286671747876} Untitled_5::F5 73 1 9 {} F 0.0 {0.708137540214 0.737000005775 -0.0519846739878} Untitled_5::F6 74 1 9 {} F 0.0 {0.621676841666 0.905337587096 0.947864963247} Untitled_5::F8 75 1 8 {} O 0.0 {0.769787962434 0.995328048486 0.998139284251} Untitled_5::O1 76 1 6 {} C 0.0 {0.7854898721 0.0663536555152 0.953898535856} Untitled_5::C5 77 1 9 {} F 0.0 {0.724452044231 0.111076292805 0.891267508578} Untitled_5::F9 78 1 9 {} F 0.0 {0.829114802447 -0.040612210764 0.777043714281} Untitled_5::F10 79 1 9 {} F 0.0 {0.868704619032 0.116715311808 -0.0483403577989} Untitled_5::F11 80 1 6 {} C 0.0 {0.492845900619 0.734362384122 0.615253122242} Untitled_6::C1 81 1 6 {} C 0.0 {0.603182423777 0.778180265017 0.630502830951} Untitled_6::C2 82 1 9 {} F 0.0 {0.464139349323 0.770009077562 0.527584404958} Untitled_6::F1 83 1 9 {} F 0.0 {0.495853428117 0.63582633835 0.609842056564} Untitled_6::F2 84 1 9 {} F 0.0 {0.588601284792 0.862187992503 0.788869563078} Untitled_6::F3 85 1 9 {} F 0.0 {0.665242003073 0.716268387019 0.583153570022} Untitled_6::F4 86 1 6 {} C 0.0 {0.436506319184 0.774676988984 0.710514079499} Untitled_6::C3 87 1 6 {} C 0.0 {0.349434596719 0.800841180445 0.776655611029} Untitled_6::C4 88 1 9 {} F 0.0 {0.305312793194 0.883739761085 0.743764242497} Untitled_6::F5 89 1 9 {} F 0.0 {0.234440284252 0.737797196414 0.646476745803} Untitled_6::F6 90 1 9 {} F 0.0 {0.297853438285 0.971866927353 0.900600730224} Untitled_6::F8 91 1 8 {} O 0.0 {0.111409522721 0.949366737302 0.914115020465} Untitled_6::O1 92 1 6 {} C 0.0 {0.133208282527 0.845255340281 0.731476619657} Untitled_6::C5 93 1 9 {} F 0.0 {0.199104645763 0.489395262401 0.588791453036} Untitled_6::F9 94 1 9 {} F 0.0 {0.101281640864 0.786641814753 0.57272548263} Untitled_6::F10 95 1 9 {} F 0.0 {-0.027012593404 0.758249379201 0.682147315574} Untitled_6::F11 96 1 6 {} C 0.0 {0.274951530293 0.0138778580837 0.594456570422} Untitled_7::C1 97 1 6 {} C 0.0 {0.230126751213 0.900005190832 0.574282649796} Untitled_7::C2 98 1 9 {} F 0.0 {0.360897663368 0.00407473433558 0.54291273721} Untitled_7::F1 99 1 9 {} F 0.0 {0.212338634792 0.073191758099 0.544794259632} Untitled_7::F2 100 1 9 {} F 0.0 {0.169994246623 0.917472325428 0.496822437591} Untitled_7::F3 101 1 9 {} F 0.0 {0.310982022974 0.850199675449 0.543553774378} Untitled_7::F4 102 1 6 {} C 0.0 {0.32288923491 0.0860153841186 0.676881827911} Untitled_7::C3 103 1 6 {} C 0.0 {0.428790195646 0.0629598927656 0.707246477877} Untitled_7::C4 104 1 9 {} F 0.0 {0.332012823 0.172075607395 0.620638329908} Untitled_7::F5 105 1 9 {} F 0.0 {0.273862774569 0.109720185672 0.758138049106} Untitled_7::F6 106 1 9 {} F 0.0 {0.449984381345 0.0837067944085 0.799298986737} Untitled_7::F8 107 1 8 {} O 0.0 {0.505645106351 0.044523032579 0.651470746534} Untitled_7::O1 108 1 6 {} C 0.0 {0.540592090618 0.11187222055 0.578231223515} Untitled_7::C5 109 1 9 {} F 0.0 {0.501148245739 0.0982277549376 0.490645758603} Untitled_7::F9 110 1 9 {} F 0.0 {0.637536322013 0.0990164053463 0.572714721226} Untitled_7::F10 111 1 9 {} F 0.0 {0.514954979971 0.201965994459 0.605394024411} Untitled_7::F11 112 1 6 {} C 0.0 {0.0331094284552 0.954325016699 0.850168311245} Untitled_8::C1 113 1 6 {} C 0.0 {0.922492681087 0.687799260682 0.633243203141} Untitled_8::C2 114 1 9 {} F 0.0 {0.988632793662 0.0427283225519 0.848218131794} Untitled_8::F1 115 1 9 {} F 0.0 {-0.0363304086458 0.885958586259 0.872755999849} Untitled_8::F2 116 1 9 {} F 0.0 {0.855465234408 0.734799601562 0.577122504786} Untitled_8::F3 117 1 9 {} F 0.0 {-0.0188741782352 0.6343339826 0.57495750329} Untitled_8::F4 118 1 6 {} C 0.0 {0.0782687947569 0.937634675904 0.745001801245} Untitled_8::C3 119 1 6 {} C 0.0 {0.172781643167 0.817555437104 0.635060889589} Untitled_8::C4 120 1 9 {} F 0.0 {0.00403732688683 0.943595898106 0.676210605543} Untitled_8::F5 121 1 9 {} F 0.0 {0.135532904548 0.0191831508863 0.724940398113} Untitled_8::F6 122 1 9 {} F 0.0 {0.117239925753 0.452967804779 0.534097111472} Untitled_8::F8 123 1 8 {} O 0.0 {0.163546897481 0.795456886427 0.80997356365} Untitled_8::O1 124 1 6 {} C 0.0 {0.127205809903 0.706725226691 0.843553974469} Untitled_8::C5 125 1 9 {} F 0.0 {0.0336121747511 0.714005863523 0.870918398033} Untitled_8::F9 126 1 9 {} F 0.0 {0.181136318355 0.691015167648 0.923917136913} Untitled_8::F10 127 1 9 {} F 0.0 {0.139843505681 0.633285824378 0.778211965486} Untitled_8::F11 128 1 6 {} C 0.0 {0.738010958875 0.521266592986 0.777640126205} Untitled_9::C1 129 1 6 {} C 0.0 {0.732588077398 0.414102627531 0.821836134723} Untitled_9::C2 130 1 9 {} F 0.0 {0.646180222437 0.551308818136 0.752767978915} Untitled_9::F1 131 1 9 {} F 0.0 {0.764994538971 0.574608835647 0.857477672424} Untitled_9::F2 132 1 9 {} F 0.0 {0.769929598719 0.342767140973 0.761276722963} Untitled_9::F3 133 1 9 {} F 0.0 {0.786678580222 0.411834404269 0.904635083531} Untitled_9::F4 134 1 6 {} C 0.0 {0.805728909961 0.544339292153 0.685010973798} Untitled_9::C3 135 1 6 {} C 0.0 {0.878840241918 0.624835332153 0.71739316738} Untitled_9::C4 136 1 9 {} F 0.0 {0.858450712581 0.466029085816 0.650574408561} Untitled_9::F5 137 1 9 {} F 0.0 {0.751470642436 0.573262006434 0.606732082197} Untitled_9::F6 138 1 9 {} F 0.0 {0.836823754932 0.698632793617 0.772485598244} Untitled_9::F8 139 1 8 {} O 0.0 {0.948556973488 0.584699749443 0.780394955053} Untitled_9::O1 140 1 6 {} C 0.0 {0.990058492497 0.492166166344 0.789521684201} Untitled_9::C5 141 1 9 {} F 0.0 {0.0409931014127 0.498284082625 0.873160771512} Untitled_9::F9 142 1 9 {} F 0.0 {0.0470094532092 0.471361667532 0.711722098614} Untitled_9::F10 143 1 9 {} F 0.0 {0.928238903393 0.416121476723 0.802379352681} Untitled_9::F11 144 1 6 {} C 0.0 {0.506281599674 0.312863147198 0.992423009969} Untitled_10::C1 145 1 6 {} C 0.0 {0.473201336048 0.377562731107 0.0783320513794} Untitled_10::C2 146 1 9 {} F 0.0 {0.516645024919 0.224057837104 0.0393864671022} Untitled_10::F1 147 1 9 {} F 0.0 {0.441861359171 0.301519092117 0.919794323109} Untitled_10::F2 148 1 9 {} F 0.0 {0.396154071933 0.350934732531 0.127333011164} Untitled_10::F3 149 1 9 {} F 0.0 {0.530948711505 0.437549348145 0.124155828644} Untitled_10::F4 150 1 6 {} C 0.0 {0.608341268032 0.337048416837 0.945083217619} Untitled_10::C3 151 1 6 {} C 0.0 {0.625768811136 0.390267197591 0.846618790469} Untitled_10::C4 152 1 9 {} F 0.0 {0.668009410069 0.367221185255 0.0187224963303} Untitled_10::F5 153 1 9 {} F 0.0 {0.640422131559 0.245903052801 0.914076778448} Untitled_10::F6 154 1 9 {} F 0.0 {0.636859326593 0.566984882382 -0.00494952639682} Untitled_10::F8 155 1 8 {} O 0.0 {0.560049335376 0.387080437176 0.778601290369} Untitled_10::O1 156 1 6 {} C 0.0 {0.588516806451 0.363400584116 0.673412724928} Untitled_10::C5 157 1 9 {} F 0.0 {0.634480270266 0.277144501878 0.686145048829} Untitled_10::F9 158 1 9 {} F 0.0 {0.649213746293 0.425251065104 0.628779497007} Untitled_10::F10 159 1 9 {} F 0.0 {0.505895675193 0.359679010096 0.624724157999} Untitled_10::F11 160 1 6 {} C 0.0 {0.35978632293 0.805332498693 0.882261172596} Untitled_11::C1 161 1 6 {} C 0.0 {0.377781628561 0.910776708087 0.916492596745} Untitled_11::C2 162 1 9 {} F 0.0 {0.477240599328 0.76829244673 0.0963896672611} Untitled_11::F1 163 1 9 {} F 0.0 {0.0737961013128 0.959535823844 0.0143552382477} Untitled_11::F2 164 1 9 {} F 0.0 {0.462331210552 0.874173841811 0.688290803868} Untitled_11::F3 165 1 9 {} F 0.0 {0.3245485281 0.156258883957 0.968935553698} Untitled_11::F4 166 1 6 {} C 0.0 {0.374487801565 0.617855193448 0.918139476587} Untitled_11::C3 167 1 6 {} C 0.0 {0.311121120997 0.52598590421 0.962164813048} Untitled_11::C4 168 1 9 {} F 0.0 {0.346928346271 0.613570498308 0.818971593351} Untitled_11::F5 169 1 9 {} F 0.0 {0.480949895861 0.508539191215 0.748106655823} Untitled_11::F6 170 1 9 {} F 0.0 {0.346931961639 0.514489177249 0.0568844109755} Untitled_11::F8 171 1 8 {} O 0.0 {0.33057774646 0.441010081546 0.909594132296} Untitled_11::O1 172 1 6 {} C 0.0 {0.277884026873 0.401570310076 0.829425934359} Untitled_11::C5 173 1 9 {} F 0.0 {0.312645597448 0.431671655813 0.742340037611} Untitled_11::F9 174 1 9 {} F 0.0 {0.182759949915 0.423353649461 0.833016868089} Untitled_11::F10 175 1 9 {} F 0.0 {0.287142711106 0.303643033416 0.83376778447} Untitled_11::F11 176 1 6 {} C 0.0 {0.501113745821 0.857203114614 0.0553983272388} Untitled_12::C1 177 1 6 {} C 0.0 {0.418945974139 0.934130880573 0.0199708413199} Untitled_12::C2 178 1 9 {} F 0.0 {0.56303164765 0.908583049166 0.122792920818} Untitled_12::F1 179 1 9 {} F 0.0 {0.47173027258 0.604515948504 0.209084744443} Untitled_12::F2 180 1 9 {} F 0.0 {0.34428407797 0.961119384148 0.078769233408} Untitled_12::F3 181 1 9 {} F 0.0 {0.475656472979 0.0172561643123 0.00705045148491} Untitled_12::F4 182 1 6 {} C 0.0 {0.621020434813 0.734460145904 -0.00256379920857} Untitled_12::C3 183 1 6 {} C 0.0 {0.644279523992 0.800455313825 0.735070304854} Untitled_12::C4 184 1 9 {} F 0.0 {0.817767091501 0.952459703091 0.156631561566} Untitled_12::F5 185 1 9 {} F 0.0 {0.649382015295 0.729705848143 0.0955264415112} Untitled_12::F6 186 1 9 {} F 0.0 {0.659843543611 0.716378693202 0.783734791163} Untitled_12::F8 187 1 8 {} O 0.0 {0.736346848737 0.842687198902 0.727290721784} Untitled_12::O1 188 1 6 {} C 0.0 {0.751905280155 0.943122196602 0.720066876301} Untitled_12::C5 189 1 9 {} F 0.0 {0.679427954325 0.00716885574954 0.745931299019} Untitled_12::F9 190 1 9 {} F 0.0 {0.614268750805 0.867045662415 0.586042052946} Untitled_12::F10 191 1 9 {} F 0.0 {0.773743139351 0.961620052904 0.624458146192} Untitled_12::F11 192 1 1 {} H 0.0 {0.865087374889 0.279116391787 0.0666861356704} H_head 193 1 1 {} H 0.0 {0.437878576885 0.938139348479 0.870033428014} H_tail 194 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} {13.57597724 13.57597724 13.57597724 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{13.57597724 0 0} {0 13.57597724 0} {0 0 13.57597724}} {{0.0736595224286 0 0} {0 0.0736595224286 0} {0 0 0.0736595224286}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 3 0 0 0 6 0 0 0 4 1 0 0 5 1 0 0 23 1 0 0 7 6 0 0 8 6 0 0 9 6 0 0 10 7 0 0 11 7 0 0 192 7 0 0 12 11 0 0 13 12 0 0 14 12 0 0 15 12 0 0 17 16 0 0 18 16 0 0 19 16 0 0 22 16 0 0 20 17 0 0 21 17 0 0 39 17 0 0 23 22 0 0 24 22 0 0 25 22 0 0 26 23 0 0 27 23 0 0 29 28 0 0 30 28 0 0 31 28 0 0 184 28 0 0 33 32 0 0 34 32 0 0 35 32 0 0 38 32 0 0 36 33 0 0 37 33 0 0 55 33 0 0 39 38 0 0 40 38 0 0 41 38 0 0 42 39 0 0 43 39 0 0 44 43 0 0 45 44 0 0 46 44 0 0 47 44 0 0 50 48 0 0 51 48 0 0 54 48 0 0 53 49 0 0 61 49 0 0 55 52 0 0 55 54 0 0 56 54 0 0 57 54 0 0 58 55 0 0 60 59 0 0 62 60 0 0 63 60 0 0 66 64 0 0 70 64 0 0 166 64 0 0 69 65 0 0 160 65 0 0 166 65 0 0 86 67 0 0 167 68 0 0 154 70 0 0 182 70 0 0 74 71 0 0 176 71 0 0 182 71 0 0 179 72 0 0 182 73 0 0 76 75 0 0 77 76 0 0 79 76 0 0 188 78 0 0 81 80 0 0 82 80 0 0 83 80 0 0 86 80 0 0 85 81 0 0 183 81 0 0 190 81 0 0 183 84 0 0 87 86 0 0 164 86 0 0 88 87 0 0 160 87 0 0 119 89 0 0 161 90 0 0 112 91 0 0 163 91 0 0 118 92 0 0 119 92 0 0 123 92 0 0 122 93 0 0 119 94 0 0 113 95 0 0 97 96 0 0 98 96 0 0 99 96 0 0 102 96 0 0 100 97 0 0 101 97 0 0 119 97 0 0 103 102 0 0 104 102 0 0 105 102 0 0 106 103 0 0 107 103 0 0 108 107 0 0 109 108 0 0 110 108 0 0 111 108 0 0 114 112 0 0 115 112 0 0 118 112 0 0 116 113 0 0 117 113 0 0 135 113 0 0 120 118 0 0 121 118 0 0 124 123 0 0 125 124 0 0 126 124 0 0 127 124 0 0 129 128 0 0 130 128 0 0 131 128 0 0 134 128 0 0 132 129 0 0 133 129 0 0 151 129 0 0 135 134 0 0 136 134 0 0 137 134 0 0 138 135 0 0 139 135 0 0 140 139 0 0 141 140 0 0 142 140 0 0 143 140 0 0 145 144 0 0 146 144 0 0 147 144 0 0 150 144 0 0 148 145 0 0 149 145 0 0 151 150 0 0 152 150 0 0 153 150 0 0 155 151 0 0 156 155 0 0 157 156 0 0 158 156 0 0 159 156 0 0 161 160 0 0 177 161 0 0 193 161 0 0 176 162 0 0 167 166 0 0 168 166 0 0 170 167 0 0 171 167 0 0 172 171 0 0 173 172 0 0 174 172 0 0 175 172 0 0 177 176 0 0 178 176 0 0 180 177 0 0 181 177 0 0 185 182 0 0 186 183 0 0 187 183 0 0 188 187 0 0 189 188 0 0 191 188 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 1 0 {0 0 0} 0 1 0 2 {1 0 0} 0 2 3 0 {0 0 0} 0 3 6 0 {0 0 0} 0 4 4 1 {0 0 0} 0 5 5 1 {0 0 0} 0 6 23 1 {0 0 0} 0 7 7 6 {0 0 0} 0 8 6 8 {1 0 0} 0 9 6 9 {1 0 0} 0 10 10 7 {0 0 0} 0 11 11 7 {0 0 1} 0 12 192 7 {0 0 0} 0 13 11 12 {1 0 0} 0 14 13 12 {0 0 0} 0 15 14 12 {0 0 0} 0 16 15 12 {0 0 0} 0 17 17 16 {0 0 0} 0 18 18 16 {0 0 0} 0 19 19 16 {0 0 0} 0 20 22 16 {1 0 0} 0 21 20 17 {0 0 0} 0 22 21 17 {0 0 0} 0 23 39 17 {0 0 0} 0 24 23 22 {0 0 0} 0 25 24 22 {0 0 0} 0 26 25 22 {0 0 0} 0 27 26 23 {0 0 0} 0 28 27 23 {0 0 0} 0 29 29 28 {0 0 0} 0 30 30 28 {0 0 0} 0 31 31 28 {0 0 0} 0 32 184 28 {0 0 0} 0 33 33 32 {0 0 0} 0 34 34 32 {0 0 0} 0 35 35 32 {0 0 0} 0 36 38 32 {0 0 0} 0 37 36 33 {0 0 0} 0 38 37 33 {0 0 0} 0 39 55 33 {0 0 0} 0 40 39 38 {0 0 0} 0 41 40 38 {0 0 0} 0 42 41 38 {0 0 0} 0 43 42 39 {0 0 0} 0 44 43 39 {0 0 0} 0 45 44 43 {0 0 0} 0 46 45 44 {0 0 0} 0 47 46 44 {0 0 0} 0 48 47 44 {0 0 0} 0 49 50 48 {0 0 0} 0 50 51 48 {0 0 0} 0 51 54 48 {0 0 0} 0 52 53 49 {0 0 0} 0 53 61 49 {0 0 0} 0 54 55 52 {0 1 0} 0 55 55 54 {0 0 0} 0 56 56 54 {0 0 0} 0 57 54 57 {0 1 0} 0 58 55 58 {0 1 0} 0 59 60 59 {0 0 0} 0 60 62 60 {0 0 0} 0 61 63 60 {0 0 0} 0 62 66 64 {0 0 0} 0 63 70 64 {0 0 0} 0 64 166 64 {0 0 0} 0 65 65 69 {0 0 1} 0 66 160 65 {0 0 0} 0 67 166 65 {0 0 0} 0 68 86 67 {0 0 0} 0 69 167 68 {0 0 0} 0 70 154 70 {0 0 0} 0 71 182 70 {0 0 0} 0 72 74 71 {0 0 0} 0 73 71 176 {0 0 1} 0 74 182 71 {0 0 0} 0 75 179 72 {0 0 0} 0 76 182 73 {0 0 0} 0 77 75 76 {0 1 0} 0 78 77 76 {0 0 0} 0 79 79 76 {0 0 0} 0 80 188 78 {0 0 0} 0 81 81 80 {0 0 0} 0 82 82 80 {0 0 0} 0 83 83 80 {0 0 0} 0 84 86 80 {0 0 0} 0 85 85 81 {0 0 0} 0 86 183 81 {0 0 0} 0 87 190 81 {0 0 0} 0 88 183 84 {0 0 0} 0 89 87 86 {0 0 0} 0 90 164 86 {0 0 0} 0 91 88 87 {0 0 0} 0 92 160 87 {0 0 0} 0 93 119 89 {0 0 0} 0 94 161 90 {0 0 0} 0 95 112 91 {0 0 0} 0 96 91 163 {0 0 1} 0 97 118 92 {0 0 0} 0 98 119 92 {0 0 0} 0 99 123 92 {0 0 0} 0 100 122 93 {0 0 0} 0 101 119 94 {0 0 0} 0 102 113 95 {0 0 0} 0 103 97 96 {0 1 0} 0 104 98 96 {0 0 0} 0 105 99 96 {0 0 0} 0 106 102 96 {0 0 0} 0 107 100 97 {0 0 0} 0 108 101 97 {0 0 0} 0 109 119 97 {0 0 0} 0 110 103 102 {0 0 0} 0 111 104 102 {0 0 0} 0 112 105 102 {0 0 0} 0 113 106 103 {0 0 0} 0 114 107 103 {0 0 0} 0 115 108 107 {0 0 0} 0 116 109 108 {0 0 0} 0 117 110 108 {0 0 0} 0 118 111 108 {0 0 0} 0 119 114 112 {1 -1 0} 0 120 115 112 {1 0 0} 0 121 118 112 {0 0 0} 0 122 116 113 {0 0 0} 0 123 117 113 {0 0 0} 0 124 135 113 {0 0 0} 0 125 120 118 {0 0 0} 0 126 118 121 {0 1 0} 0 127 124 123 {0 0 0} 0 128 125 124 {0 0 0} 0 129 126 124 {0 0 0} 0 130 127 124 {0 0 0} 0 131 129 128 {0 0 0} 0 132 130 128 {0 0 0} 0 133 131 128 {0 0 0} 0 134 134 128 {0 0 0} 0 135 132 129 {0 0 0} 0 136 133 129 {0 0 0} 0 137 151 129 {0 0 0} 0 138 135 134 {0 0 0} 0 139 136 134 {0 0 0} 0 140 137 134 {0 0 0} 0 141 138 135 {0 0 0} 0 142 139 135 {0 0 0} 0 143 140 139 {0 0 0} 0 144 140 141 {1 0 0} 0 145 140 142 {1 0 0} 0 146 143 140 {0 0 0} 0 147 144 145 {0 0 1} 0 148 144 146 {0 0 1} 0 149 147 144 {0 0 0} 0 150 150 144 {0 0 0} 0 151 148 145 {0 0 0} 0 152 149 145 {0 0 0} 0 153 151 150 {0 0 0} 0 154 150 152 {0 0 1} 0 155 153 150 {0 0 0} 0 156 155 151 {0 0 0} 0 157 156 155 {0 0 0} 0 158 157 156 {0 0 0} 0 159 158 156 {0 0 0} 0 160 159 156 {0 0 0} 0 161 161 160 {0 0 0} 0 162 161 177 {0 0 1} 0 163 193 161 {0 0 0} 0 164 176 162 {0 0 0} 0 165 167 166 {0 0 0} 0 166 168 166 {0 0 0} 0 167 167 170 {0 0 1} 0 168 171 167 {0 0 0} 0 169 172 171 {0 0 0} 0 170 173 172 {0 0 0} 0 171 174 172 {0 0 0} 0 172 175 172 {0 0 0} 0 173 177 176 {0 0 0} 0 174 178 176 {0 0 0} 0 175 180 177 {0 0 0} 0 176 177 181 {0 1 0} 0 177 182 185 {0 0 1} 0 178 186 183 {0 0 0} 0 179 187 183 {0 0 0} 0 180 188 187 {0 0 0} 0 181 188 189 {0 1 0} 0 182 191 188 {0 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