#MD System 2.0 @Title amorphous(poly(BPADA_6FPDA_unit)) @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 {0.913829208339 0.153916345205 0.307107111927} BPADA_6FPDA_unit_1::C1 1 -1 1 {} H 0.0 {0.844567729069 0.316227172988 0.364319515715} BPADA_6FPDA_unit_1::H1 2 -1 6 {} C 0.0 {0.889064287422 0.207774105707 0.353035263068} BPADA_6FPDA_unit_1::C2 3 -1 6 {} C 0.0 {0.86765253093 0.275257404668 0.327678473691} BPADA_6FPDA_unit_1::C3 4 -1 6 {} C 0.0 {0.922583545008 0.164615431805 0.234551759708} BPADA_6FPDA_unit_1::C4 5 -1 1 {} H 0.0 {0.941548860856 0.120689461494 0.199095637116} BPADA_6FPDA_unit_1::H2 6 -1 6 {} C 0.0 {0.906608264688 0.23359212218 0.206316172643} BPADA_6FPDA_unit_1::C5 7 -1 6 {} C 0.0 {0.876370336239 0.289234843806 0.252345495522} BPADA_6FPDA_unit_1::C6 8 -1 1 {} H 0.0 {0.86018320154 0.341710319398 0.229320874966} BPADA_6FPDA_unit_1::H3 9 -1 6 {} C 0.0 {0.888854514962 0.17955106418 0.431954622093} BPADA_6FPDA_unit_1::C7 10 -1 6 {} C 0.0 {0.929530072358 0.0842159823429 0.350089724477} BPADA_6FPDA_unit_1::C8 11 -1 8 {} O 0.0 {0.868385546665 0.222281405214 0.498596099456} BPADA_6FPDA_unit_1::O1 12 -1 8 {} O 0.0 {0.955657853522 0.0132927554553 0.318675011373} BPADA_6FPDA_unit_1::O2 13 -1 8 {} O 0.0 {0.921422440755 0.24807661399 0.129313392663} BPADA_6FPDA_unit_1::O3 14 -1 6 {} C 0.0 {0.00245384898274 0.246840220027 0.119929798552} BPADA_6FPDA_unit_1::C9 15 -1 1 {} H 0.0 {0.159336438297 0.182639211293 0.201596635139} BPADA_6FPDA_unit_1::H4 16 -1 6 {} C 0.0 {0.0476578068565 0.211929262893 0.172510179795} BPADA_6FPDA_unit_1::C10 17 -1 1 {} H 0.0 {0.023363222563 0.186663707258 0.220835261659} BPADA_6FPDA_unit_1::H5 18 -1 6 {} C 0.0 {0.124283777109 0.210339200751 0.162259126906} BPADA_6FPDA_unit_1::C11 19 -1 6 {} C 0.0 {0.0332093079103 0.280543114476 0.0601229101186} BPADA_6FPDA_unit_1::C12 20 -1 1 {} H 0.0 {0.998178585699 0.30618864955 0.0194329263558} BPADA_6FPDA_unit_1::H6 21 -1 6 {} C 0.0 {0.108779263188 0.281279836746 0.0513131237228} BPADA_6FPDA_unit_1::C13 22 -1 1 {} H 0.0 {0.13255264784 0.310805531284 0.00640305604572} BPADA_6FPDA_unit_1::H7 23 -1 6 {} C 0.0 {0.154432820899 0.244829429297 0.100511591762} BPADA_6FPDA_unit_1::C14 24 -1 6 {} C 0.0 {0.2369194378 0.244846448633 0.0844658826851} BPADA_6FPDA_unit_1::C15 25 -1 6 {} C 0.0 {0.264275135676 0.167502048414 0.0649828181764} BPADA_6FPDA_unit_1::C16 26 -1 1 {} H 0.0 {0.377105528954 0.0293608792751 0.121873610189} BPADA_6FPDA_unit_1::H8 27 -1 6 {} C 0.0 {0.311051011279 0.128193658591 0.111315485335} BPADA_6FPDA_unit_1::C17 28 -1 1 {} H 0.0 {0.326147531255 0.150254659188 0.164592026376} BPADA_6FPDA_unit_1::H9 29 -1 6 {} C 0.0 {0.338260908972 0.0595741576433 0.0882020957176} BPADA_6FPDA_unit_1::C18 30 -1 6 {} C 0.0 {0.243074480278 0.137586153039 0.998445592861} BPADA_6FPDA_unit_1::C19 31 -1 1 {} H 0.0 {0.207200405177 0.168363732092 0.962659863196} BPADA_6FPDA_unit_1::H10 32 -1 6 {} C 0.0 {0.267865104347 0.0689571518248 0.977294117138} BPADA_6FPDA_unit_1::C20 33 -1 1 {} H 0.0 {0.249244312441 0.0453328720679 0.926188524277} BPADA_6FPDA_unit_1::H11 34 -1 6 {} C 0.0 {0.316159088299 0.0305011286145 0.0215646866396} BPADA_6FPDA_unit_1::C21 35 -1 8 {} O 0.0 {0.344916384898 0.958136003597 0.997577758644} BPADA_6FPDA_unit_1::O4 36 -1 6 {} C 0.0 {0.284294564111 0.903320436431 0.992307054538} BPADA_6FPDA_unit_1::C22 37 -1 1 {} H 0.0 {0.235750025805 0.733004519604 0.0581493824218} BPADA_6FPDA_unit_1::H12 38 -1 6 {} C 0.0 {0.287933557649 0.837608102621 0.034822777739} BPADA_6FPDA_unit_1::C23 39 -1 1 {} H 0.0 {0.332121295665 0.829866509059 0.0740977413342} BPADA_6FPDA_unit_1::H13 40 -1 6 {} C 0.0 {0.234173449475 0.782853945249 0.0257747309744} BPADA_6FPDA_unit_1::C24 41 -1 6 {} C 0.0 {0.224451775794 0.914778631822 0.943735313886} BPADA_6FPDA_unit_1::C25 42 -1 1 {} H 0.0 {0.218652773162 0.965835649354 0.913610788475} BPADA_6FPDA_unit_1::H14 43 -1 6 {} C 0.0 {0.173646363273 0.8588005813 0.936355025973} BPADA_6FPDA_unit_1::C26 44 -1 6 {} C 0.0 {0.179409240045 0.794639796867 0.974978185189} BPADA_6FPDA_unit_1::C27 45 -1 6 {} C 0.0 {0.279428153323 0.277976418951 0.14934761709} BPADA_6FPDA_unit_1::C28 46 -1 6 {} C 0.0 {0.24619283504 0.291772669109 0.0162211827215} BPADA_6FPDA_unit_1::C29 47 -1 6 {} C 0.0 {0.104836711024 0.856018723205 0.886362427583} BPADA_6FPDA_unit_1::C30 48 -1 6 {} C 0.0 {0.116528223389 0.742179245488 0.953252760651} BPADA_6FPDA_unit_1::C31 49 -1 7 {} N 0.0 {0.0687643864996 0.782112708759 0.898517451391} BPADA_6FPDA_unit_1::N2 50 -1 1 {} H 0.0 {0.258864872139 0.332656403334 0.160797166011} BPADA_6FPDA_unit_1::H15 51 -1 1 {} H 0.0 {0.337354364033 0.281106892406 0.135515515695} BPADA_6FPDA_unit_1::H16 52 -1 1 {} H 0.0 {0.272352815999 0.243652361427 0.197437073225} BPADA_6FPDA_unit_1::H17 53 -1 1 {} H 0.0 {0.219217918708 0.264741277783 0.971106401637} BPADA_6FPDA_unit_1::H18 54 -1 1 {} H 0.0 {0.304106810707 0.297823967419 0.00397331801416} BPADA_6FPDA_unit_1::H19 55 -1 1 {} H 0.0 {0.221884377436 0.345627227657 0.0249890018615} BPADA_6FPDA_unit_1::H20 56 -1 8 {} O 0.0 {0.105207207686 0.666126413605 0.981397362456} BPADA_6FPDA_unit_1::O5 57 -1 8 {} O 0.0 {0.0791292905782 0.914977184667 0.835864832757} BPADA_6FPDA_unit_1::O6 58 -1 6 {} C 0.0 {0.997727693792 0.752964593552 0.862235714243} BPADA_6FPDA_unit_1::C32 59 -1 1 {} H 0.0 {0.866977246215 0.800694486647 0.737098241481} BPADA_6FPDA_unit_1::H21 60 -1 6 {} C 0.0 {0.960534304785 0.794965615861 0.810042410333} BPADA_6FPDA_unit_1::C33 61 -1 1 {} H 0.0 {0.982106799041 0.847632047705 0.793837170708} BPADA_6FPDA_unit_1::H22 62 -1 6 {} C 0.0 {0.894726448594 0.768793771639 0.778517229691} BPADA_6FPDA_unit_1::C34 63 -1 6 {} C 0.0 {0.97055248932 0.684068898719 0.880889373767} BPADA_6FPDA_unit_1::C35 64 -1 1 {} H 0.0 {0.000427358467878 0.649861171253 0.919126219314} BPADA_6FPDA_unit_1::H23 65 -1 6 {} C 0.0 {0.904454557733 0.658782902873 0.849935113862} BPADA_6FPDA_unit_1::C36 66 -1 1 {} H 0.0 {0.883748367186 0.606105588532 0.864364192224} BPADA_6FPDA_unit_1::H24 67 -1 6 {} C 0.0 {0.865897148222 0.70168865668 0.800217662916} BPADA_6FPDA_unit_1::C37 68 -1 6 {} C 0.0 {0.791082809895 0.673495040041 0.768720556371} BPADA_6FPDA_unit_1::C38 69 -1 6 {} C 0.0 {0.781943173655 0.69703648406 0.688377861184} BPADA_6FPDA_unit_1::C39 70 -1 1 {} H 0.0 {0.783836447485 0.84972938513 0.582512668374} BPADA_6FPDA_unit_1::H25 71 -1 6 {} C 0.0 {0.783122483428 0.770780204753 0.670148097003} BPADA_6FPDA_unit_1::C40 72 -1 1 {} H 0.0 {0.783772216491 0.811907112781 0.713104686011} BPADA_6FPDA_unit_1::H26 73 -1 6 {} C 0.0 {0.782913190638 0.792086223745 0.596617688016} BPADA_6FPDA_unit_1::C41 74 -1 6 {} C 0.0 {0.773947637955 0.644256060766 0.633364128676} BPADA_6FPDA_unit_1::C42 75 -1 1 {} H 0.0 {0.768314834486 0.586752570143 0.647831411327} BPADA_6FPDA_unit_1::H27 76 -1 6 {} C 0.0 {0.77295910151 0.665593165459 0.559662581574} BPADA_6FPDA_unit_1::C43 77 -1 1 {} H 0.0 {0.765569681359 0.625018572406 0.516944832474} BPADA_6FPDA_unit_1::H28 78 -1 6 {} C 0.0 {0.781230728387 0.7391127709 0.541305372221} BPADA_6FPDA_unit_1::C44 79 -1 6 {} C 0.0 {0.789605978427 0.590407837377 0.773291468495} BPADA_6FPDA_unit_1::C45 80 -1 6 {} C 0.0 {0.72734704968 0.704293478221 0.813954235302} BPADA_6FPDA_unit_1::C46 81 -1 9 {} F 0.0 {0.657033792853 0.674997119616 0.785114565392} BPADA_6FPDA_unit_1::F1 82 -1 9 {} F 0.0 {0.73600201748 0.682134960513 0.891881559881} BPADA_6FPDA_unit_1::F2 83 -1 9 {} F 0.0 {0.727275585902 0.785342766 0.808824776793} BPADA_6FPDA_unit_1::F3 84 -1 9 {} F 0.0 {0.85222406812 0.559652753734 0.731331512107} BPADA_6FPDA_unit_1::F4 85 -1 9 {} F 0.0 {0.795153841311 0.56853918112 0.850495380514} BPADA_6FPDA_unit_1::F5 86 -1 9 {} F 0.0 {0.719657552623 0.562673402378 0.742851946342} BPADA_6FPDA_unit_1::F6 87 -1 7 {} N 0.0 {0.913885093116 0.100760524546 0.429267943302} BPADA_6FPDA_unit_1::N3 88 -1 6 {} C 0.0 {0.809274664526 0.832407777783 0.348356646488} BPADA_6FPDA_unit_2::C1 89 -1 1 {} H 0.0 {0.78689942134 0.685565992795 0.237411638081} BPADA_6FPDA_unit_2::H1 90 -1 6 {} C 0.0 {0.796995099238 0.761793886592 0.326569739999} BPADA_6FPDA_unit_2::C2 91 -1 6 {} C 0.0 {0.798471392123 0.741376197784 0.25381521053} BPADA_6FPDA_unit_2::C3 92 -1 6 {} C 0.0 {0.823993075424 0.88759194006 0.298805027136} BPADA_6FPDA_unit_2::C4 93 -1 1 {} H 0.0 {0.829437500493 0.943300642727 0.316426935468} BPADA_6FPDA_unit_2::H2 94 -1 6 {} C 0.0 {0.830755538497 0.868631737808 0.223782945446} BPADA_6FPDA_unit_2::C5 95 -1 6 {} C 0.0 {0.815770226797 0.795427805688 0.201073363688} BPADA_6FPDA_unit_2::C6 96 -1 1 {} H 0.0 {0.817605342532 0.781253077735 0.143573274473} BPADA_6FPDA_unit_2::H3 97 -1 6 {} C 0.0 {0.782509279505 0.713009146657 0.394378200937} BPADA_6FPDA_unit_2::C7 98 -1 6 {} C 0.0 {0.804087504787 0.837688753822 0.432986101536} BPADA_6FPDA_unit_2::C8 99 -1 8 {} O 0.0 {0.767395266388 0.632380559447 0.393971783756} BPADA_6FPDA_unit_2::O1 100 -1 8 {} O 0.0 {0.814793701948 0.904980218634 0.478599981417} BPADA_6FPDA_unit_2::O2 101 -1 8 {} O 0.0 {0.853059503787 0.925214714198 0.168035086524} BPADA_6FPDA_unit_2::O3 102 -1 6 {} C 0.0 {0.79458953805 0.981411733385 0.160807064652} BPADA_6FPDA_unit_2::C9 103 -1 1 {} H 0.0 {0.701684151202 0.0775544560512 0.0319134470159} BPADA_6FPDA_unit_2::H4 104 -1 6 {} C 0.0 {0.774767028622 0.00769641856928 0.0918006289211} BPADA_6FPDA_unit_2::C10 105 -1 1 {} H 0.0 {0.803752946075 0.989508429763 0.0438209539949} BPADA_6FPDA_unit_2::H5 106 -1 6 {} C 0.0 {0.717391515076 0.057342615266 0.0849972908645} BPADA_6FPDA_unit_2::C11 107 -1 6 {} C 0.0 {0.759135556078 0.00690654157909 0.222668749935} BPADA_6FPDA_unit_2::C12 108 -1 1 {} H 0.0 {0.775247704137 0.987498483769 0.276260762564} BPADA_6FPDA_unit_2::H6 109 -1 6 {} C 0.0 {0.702675397686 0.0569141857913 0.215833343739} BPADA_6FPDA_unit_2::C13 110 -1 1 {} H 0.0 {0.675691260242 0.0778754274624 0.264554852571} BPADA_6FPDA_unit_2::H7 111 -1 6 {} C 0.0 {0.680387692093 0.0803778649916 0.146282230229} BPADA_6FPDA_unit_2::C14 112 -1 6 {} C 0.0 {0.613776024371 0.129823097546 0.139267563045} BPADA_6FPDA_unit_2::C15 113 -1 6 {} C 0.0 {0.625899678769 0.201021169332 0.186221762318} BPADA_6FPDA_unit_2::C16 114 -1 1 {} H 0.0 {0.592988789069 0.263960171101 0.357088243474} BPADA_6FPDA_unit_2::H8 115 -1 6 {} C 0.0 {0.601270003642 0.202699457149 0.258767055508} BPADA_6FPDA_unit_2::C17 116 -1 1 {} H 0.0 {0.571614508545 0.156523327099 0.281007580164} BPADA_6FPDA_unit_2::H9 117 -1 6 {} C 0.0 {0.614378571452 0.262555950242 0.302194775395} BPADA_6FPDA_unit_2::C18 118 -1 6 {} C 0.0 {0.662649026493 0.261955762167 0.157420538452} BPADA_6FPDA_unit_2::C19 119 -1 1 {} H 0.0 {0.680654107796 0.262352962124 0.100579118576} BPADA_6FPDA_unit_2::H10 120 -1 6 {} C 0.0 {0.676269751148 0.322526463026 0.202696379481} BPADA_6FPDA_unit_2::C20 121 -1 1 {} H 0.0 {0.703829386914 0.370553166129 0.181031544407} BPADA_6FPDA_unit_2::H11 122 -1 6 {} C 0.0 {0.653870277928 0.321024781193 0.275855502905} BPADA_6FPDA_unit_2::C21 123 -1 8 {} O 0.0 {0.671276091832 0.38289878343 0.32579564393} BPADA_6FPDA_unit_2::O4 124 -1 6 {} C 0.0 {0.605496874592 0.429261240739 0.33363766985} BPADA_6FPDA_unit_2::C22 125 -1 1 {} H 0.0 {0.419284396174 0.418517817761 0.366036517075} BPADA_6FPDA_unit_2::H12 126 -1 6 {} C 0.0 {0.535549082908 0.396725183137 0.349974764481} BPADA_6FPDA_unit_2::C23 127 -1 1 {} H 0.0 {0.531123657888 0.338104380219 0.359776825945} BPADA_6FPDA_unit_2::H13 128 -1 6 {} C 0.0 {0.472797293045 0.441307029262 0.353001155275} BPADA_6FPDA_unit_2::C24 129 -1 6 {} C 0.0 {0.611130774712 0.505212854378 0.323342651238} BPADA_6FPDA_unit_2::C25 130 -1 1 {} H 0.0 {0.663883715178 0.531175595349 0.313111458052} BPADA_6FPDA_unit_2::H14 131 -1 6 {} C 0.0 {0.548802307739 0.545294153743 0.326390509414} BPADA_6FPDA_unit_2::C26 132 -1 6 {} C 0.0 {0.481562422679 0.514470856875 0.339136115733} BPADA_6FPDA_unit_2::C27 133 -1 6 {} C 0.0 {0.550939477564 0.0814949551203 0.170293478819} BPADA_6FPDA_unit_2::C28 134 -1 6 {} C 0.0 {0.600057088938 0.14900873535 0.0581048881512} BPADA_6FPDA_unit_2::C29 135 -1 6 {} C 0.0 {0.540684277284 0.627506397537 0.314899487498} BPADA_6FPDA_unit_2::C30 136 -1 6 {} C 0.0 {0.42260710121 0.573542874266 0.334925504823} BPADA_6FPDA_unit_2::C31 137 -1 7 {} N 0.0 {0.46081141464 0.643752181226 0.31585779726} BPADA_6FPDA_unit_2::N2 138 -1 1 {} H 0.0 {0.552616586375 0.0293374850488 0.14259936248} BPADA_6FPDA_unit_2::H15 139 -1 1 {} H 0.0 {0.496527555426 0.105992099475 0.162450840333} BPADA_6FPDA_unit_2::H16 140 -1 1 {} H 0.0 {0.561803915475 0.0725980704846 0.22846596795} BPADA_6FPDA_unit_2::H17 141 -1 1 {} H 0.0 {0.645201748104 0.181895619468 0.0378039902773} BPADA_6FPDA_unit_2::H18 142 -1 1 {} H 0.0 {0.549234828547 0.179994075625 0.0525563283044} BPADA_6FPDA_unit_2::H19 143 -1 1 {} H 0.0 {0.596270553829 0.0991316684274 0.0266484221303} BPADA_6FPDA_unit_2::H20 144 -1 8 {} O 0.0 {0.342283377501 0.563033188662 0.346112349618} BPADA_6FPDA_unit_2::O5 145 -1 8 {} O 0.0 {0.601080725684 0.680940467355 0.302515708887} BPADA_6FPDA_unit_2::O6 146 -1 6 {} C 0.0 {0.425583432571 0.715955491086 0.300353879137} BPADA_6FPDA_unit_2::C32 147 -1 1 {} H 0.0 {0.468558397225 0.893203988611 0.261635156651} BPADA_6FPDA_unit_2::H21 148 -1 6 {} C 0.0 {0.468756039445 0.778173042823 0.288621119197} BPADA_6FPDA_unit_2::C33 149 -1 1 {} H 0.0 {0.528370229246 0.774741055268 0.293184236949} BPADA_6FPDA_unit_2::H22 150 -1 6 {} C 0.0 {0.435288294748 0.844597237811 0.271254261611} BPADA_6FPDA_unit_2::C34 151 -1 6 {} C 0.0 {0.349655998225 0.720583472915 0.297792975287} BPADA_6FPDA_unit_2::C35 152 -1 1 {} H 0.0 {0.316549916984 0.672402906043 0.309063264852} BPADA_6FPDA_unit_2::H23 153 -1 6 {} C 0.0 {0.316087597584 0.786309450927 0.280701905609} BPADA_6FPDA_unit_2::C36 154 -1 1 {} H 0.0 {0.256666319153 0.789482175119 0.278454044884} BPADA_6FPDA_unit_2::H24 155 -1 6 {} C 0.0 {0.358351778871 0.848324590373 0.266267732044} BPADA_6FPDA_unit_2::C37 156 -1 6 {} C 0.0 {0.320239372652 0.920338220544 0.245767200575} BPADA_6FPDA_unit_2::C38 157 -1 6 {} C 0.0 {0.301031228146 0.96019367277 0.31362948781} BPADA_6FPDA_unit_2::C39 158 -1 1 {} H 0.0 {0.205369381476 0.10742317298 0.372499097678} BPADA_6FPDA_unit_2::H25 159 -1 6 {} C 0.0 {0.253607672947 0.0195721531113 0.311118116552} BPADA_6FPDA_unit_2::C40 160 -1 1 {} H 0.0 {0.226432948616 0.0341832151047 0.260038942182} BPADA_6FPDA_unit_2::H26 161 -1 6 {} C 0.0 {0.241066946685 0.059804998074 0.37393008713} BPADA_6FPDA_unit_2::C41 162 -1 6 {} C 0.0 {0.333392076672 0.939111928261 0.378239707191} BPADA_6FPDA_unit_2::C42 163 -1 1 {} H 0.0 {0.368692682261 0.891196738254 0.379560931363} BPADA_6FPDA_unit_2::H27 164 -1 6 {} C 0.0 {0.32105129603 0.978273620845 0.440610324637} BPADA_6FPDA_unit_2::C43 165 -1 1 {} H 0.0 {0.347300428966 0.96194393848 0.49151297849} BPADA_6FPDA_unit_2::H28 166 -1 6 {} C 0.0 {0.274872745772 0.0388788400371 0.438915286387} BPADA_6FPDA_unit_2::C44 167 -1 6 {} C 0.0 {0.371615518611 0.968025768106 0.203388741952} BPADA_6FPDA_unit_2::C45 168 -1 6 {} C 0.0 {0.25213509199 0.904082699656 0.200201752026} BPADA_6FPDA_unit_2::C46 169 -1 9 {} F 0.0 {0.215902206855 0.973837589514 0.178710534441} BPADA_6FPDA_unit_2::F1 170 -1 9 {} F 0.0 {0.27454878663 0.863731568021 0.133782815526} BPADA_6FPDA_unit_2::F2 171 -1 9 {} F 0.0 {0.200559733142 0.85827400137 0.24346902135} BPADA_6FPDA_unit_2::F3 172 -1 9 {} F 0.0 {0.396092336945 0.929673876615 0.136206782976} BPADA_6FPDA_unit_2::F4 173 -1 9 {} F 0.0 {0.33308531952 0.0372304583746 0.183956717879} BPADA_6FPDA_unit_2::F5 174 -1 9 {} F 0.0 {0.435246404901 0.984213530404 0.250377530707} BPADA_6FPDA_unit_2::F6 175 -1 7 {} N 0.0 {0.787645875654 0.761995755117 0.461074024656} BPADA_6FPDA_unit_2::N3 176 -1 6 {} C 0.0 {0.262600807384 0.115716307204 0.635090228947} BPADA_6FPDA_unit_3::C1 177 -1 1 {} H 0.0 {0.14064287914 0.253185286713 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{} C 0.0 {0.635218859756 0.981010227969 0.959838373844} BPADA_6FPDA_unit_4::C3 268 -1 6 {} C 0.0 {0.738979394336 0.0970269412724 0.958481474857} BPADA_6FPDA_unit_4::C4 269 -1 1 {} H 0.0 {0.777709972455 0.142179863666 0.95803909381} BPADA_6FPDA_unit_4::H2 270 -1 6 {} C 0.0 {0.763072349687 0.0222642545161 0.965049662588} BPADA_6FPDA_unit_4::C5 271 -1 6 {} C 0.0 {0.71017294056 0.9646504016 0.964307087975} BPADA_6FPDA_unit_4::C6 272 -1 1 {} H 0.0 {0.727877103954 0.908094979346 0.96662168034} BPADA_6FPDA_unit_4::H3 273 -1 6 {} C 0.0 {0.536473861645 0.0828817953604 0.948027489477} BPADA_6FPDA_unit_4::C7 274 -1 6 {} C 0.0 {0.621972741213 0.183206999471 0.945520222353} BPADA_6FPDA_unit_4::C8 275 -1 8 {} O 0.0 {0.467353907068 0.0390549990658 0.947550376129} BPADA_6FPDA_unit_4::O1 276 -1 8 {} O 0.0 {0.65457863787 0.258270386099 0.942677646076} BPADA_6FPDA_unit_4::O2 277 -1 8 {} O 0.0 {0.843501366736 0.00314116780132 0.972646490779} BPADA_6FPDA_unit_4::O3 278 -1 6 {} C 0.0 {0.850020679096 0.925807734009 0.00356787811881} BPADA_6FPDA_unit_4::C9 279 -1 1 {} H 0.0 {0.745726036557 0.799061532602 0.0911242978283} BPADA_6FPDA_unit_4::H4 280 -1 6 {} C 0.0 {0.789726088766 0.89411031717 0.0381143907781} BPADA_6FPDA_unit_4::C10 281 -1 1 {} H 0.0 {0.739428037198 0.924887627925 0.0437534657278} BPADA_6FPDA_unit_4::H5 282 -1 6 {} C 0.0 {0.793681976798 0.823402127843 0.0659273755924} BPADA_6FPDA_unit_4::C11 283 -1 6 {} C 0.0 {0.915847815836 0.8858051444 0.997472361296} BPADA_6FPDA_unit_4::C12 284 -1 1 {} H 0.0 {0.96352260011 0.910341416881 0.971492179894} BPADA_6FPDA_unit_4::H6 285 -1 6 {} C 0.0 {0.919807712689 0.813899128374 0.0256100854512} BPADA_6FPDA_unit_4::C13 286 -1 1 {} H 0.0 {0.96991108023 0.782075867893 0.0193251090479} BPADA_6FPDA_unit_4::H7 287 -1 6 {} C 0.0 {0.858513918877 0.783391481477 0.0613337391359} BPADA_6FPDA_unit_4::C14 288 -1 6 {} C 0.0 {0.86137290551 0.70537038196 0.0956209576468} BPADA_6FPDA_unit_4::C15 289 -1 6 {} C 0.0 {0.894870318403 0.651556225729 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312 -1 6 {} C 0.0 {0.799297505675 0.302708639855 0.758262441573} BPADA_6FPDA_unit_4::C31 313 -1 7 {} N 0.0 {0.816710957424 0.31083060355 0.679129258097} BPADA_6FPDA_unit_4::N2 314 -1 1 {} H 0.0 {0.758551568863 0.719667195583 0.151888706314} BPADA_6FPDA_unit_4::H15 315 -1 1 {} H 0.0 {0.784413588412 0.626886345813 0.139026347323} BPADA_6FPDA_unit_4::H16 316 -1 1 {} H 0.0 {0.750704824144 0.679087242964 0.064143388331} BPADA_6FPDA_unit_4::H17 317 -1 1 {} H 0.0 {0.962899939831 0.723645391709 0.152997074175} BPADA_6FPDA_unit_4::H18 318 -1 1 {} H 0.0 {0.909009639826 0.651278141407 0.189014373637} BPADA_6FPDA_unit_4::H19 319 -1 1 {} H 0.0 {0.883737830089 0.743504284522 0.205125324549} BPADA_6FPDA_unit_4::H20 320 -1 8 {} O 0.0 {0.751959452325 0.245315722504 0.792060233425} BPADA_6FPDA_unit_4::O5 321 -1 8 {} O 0.0 {0.889383672398 0.411632160299 0.602317451564} BPADA_6FPDA_unit_4::O6 322 -1 6 {} C 0.0 {0.792615573081 0.261608276768 0.619182296939} BPADA_6FPDA_unit_4::C32 323 -1 1 {} H 0.0 {0.786480373242 0.253800840099 0.43499931671} BPADA_6FPDA_unit_4::H21 324 -1 6 {} C 0.0 {0.804090801666 0.281751460831 0.546954027862} BPADA_6FPDA_unit_4::C33 325 -1 1 {} H 0.0 {0.833217669307 0.332000136149 0.53404412391} BPADA_6FPDA_unit_4::H22 326 -1 6 {} C 0.0 {0.778722591997 0.237746027431 0.491665734017} BPADA_6FPDA_unit_4::C34 327 -1 6 {} C 0.0 {0.758819252286 0.195201657557 0.635863760954} BPADA_6FPDA_unit_4::C35 328 -1 1 {} H 0.0 {0.750693041492 0.179079177226 0.6925722766} BPADA_6FPDA_unit_4::H23 329 -1 6 {} C 0.0 {0.735711479898 0.150055549086 0.580153174327} BPADA_6FPDA_unit_4::C36 330 -1 1 {} H 0.0 {0.712072294019 0.0969329442695 0.592501067076} BPADA_6FPDA_unit_4::H24 331 -1 6 {} C 0.0 {0.743209522752 0.172813581369 0.508212787442} BPADA_6FPDA_unit_4::C37 332 -1 6 {} C 0.0 {0.712911961116 0.12779718736 0.447104780888} BPADA_6FPDA_unit_4::C38 333 -1 6 {} C 0.0 {0.773641065715 0.0781815913047 0.416894031338} BPADA_6FPDA_unit_4::C39 334 -1 1 {} H 0.0 {0.895821956533 0.950356724078 0.475260130114} BPADA_6FPDA_unit_4::H25 335 -1 6 {} C 0.0 {0.812124528734 0.0323809688922 0.464663214657} BPADA_6FPDA_unit_4::C40 336 -1 1 {} H 0.0 {0.80025928891 0.0334616155095 0.522926601814} BPADA_6FPDA_unit_4::H26 337 -1 6 {} C 0.0 {0.865668196142 0.985586263919 0.437916334795} BPADA_6FPDA_unit_4::C41 338 -1 6 {} C 0.0 {0.79063849206 0.078499088626 0.342063829128} BPADA_6FPDA_unit_4::C42 339 -1 1 {} H 0.0 {0.761803599304 0.115198001818 0.304812526444} BPADA_6FPDA_unit_4::H27 340 -1 6 {} C 0.0 {0.844854590432 0.0314973408064 0.315392853646} BPADA_6FPDA_unit_4::C43 341 -1 1 {} H 0.0 {0.859100410656 0.0321065530986 0.25740767303} BPADA_6FPDA_unit_4::H28 342 -1 6 {} C 0.0 {0.880996897848 0.983612686773 0.363770171439} BPADA_6FPDA_unit_4::C44 343 -1 6 {} C 0.0 {0.647132152872 0.0807647927352 0.477308928184} BPADA_6FPDA_unit_4::C45 344 -1 6 {} C 0.0 {0.687594779376 0.182810512551 0.388332834972} BPADA_6FPDA_unit_4::C46 345 -1 9 {} F 0.0 {0.751276477668 0.228119687432 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BPADA_6FPDA_unit_5::C4 357 -1 1 {} H 0.0 {0.0810206438946 0.754650319464 0.399684451881} BPADA_6FPDA_unit_5::H2 358 -1 6 {} C 0.0 {0.110018136214 0.738978309099 0.28481770172} BPADA_6FPDA_unit_5::C5 359 -1 6 {} C 0.0 {0.100709116891 0.766526630283 0.211739557047} BPADA_6FPDA_unit_5::C6 360 -1 1 {} H 0.0 {0.13180433876 0.74292220897 0.166664820497} BPADA_6FPDA_unit_5::H3 361 -1 6 {} C 0.0 {0.959924165408 0.91793971639 0.257608628526} BPADA_6FPDA_unit_5::C7 362 -1 6 {} C 0.0 {0.979167046263 0.875069087912 0.380969572843} BPADA_6FPDA_unit_5::C8 363 -1 8 {} O 0.0 {0.933789312942 0.959919173356 0.192302370124} BPADA_6FPDA_unit_5::O1 364 -1 8 {} O 0.0 {0.976007173904 0.866623114988 0.462537142419} BPADA_6FPDA_unit_5::O2 365 -1 8 {} O 0.0 {0.158867739903 0.674778313965 0.298465911384} BPADA_6FPDA_unit_5::O3 366 -1 6 {} C 0.0 {0.127568868999 0.610285267501 0.259280053434} BPADA_6FPDA_unit_5::C9 367 -1 1 {} H 0.0 {0.0514304197977 0.443486392534 0.292204825215} BPADA_6FPDA_unit_5::H4 368 -1 6 {} C 0.0 {0.103906228933 0.549104002088 0.298474934169} BPADA_6FPDA_unit_5::C10 369 -1 1 {} H 0.0 {0.111819031897 0.546557475901 0.35742597693} BPADA_6FPDA_unit_5::H5 370 -1 6 {} C 0.0 {0.0702734750147 0.491114476554 0.261790887829} BPADA_6FPDA_unit_5::C11 371 -1 6 {} C 0.0 {0.12055585251 0.612085792829 0.183399003938} BPADA_6FPDA_unit_5::C12 372 -1 1 {} H 0.0 {0.141150127522 0.658719673872 0.152827164889} BPADA_6FPDA_unit_5::H6 373 -1 6 {} C 0.0 {0.0873733786346 0.554209877995 0.14667883068} BPADA_6FPDA_unit_5::C13 374 -1 1 {} H 0.0 {0.0822247480328 0.555675560647 0.0874689286604} BPADA_6FPDA_unit_5::H7 375 -1 6 {} C 0.0 {0.0609296716535 0.494313370249 0.185897312805} BPADA_6FPDA_unit_5::C14 376 -1 6 {} C 0.0 {0.0221039764606 0.431748337577 0.145661393173} BPADA_6FPDA_unit_5::C15 377 -1 6 {} C 0.0 {0.941315890491 0.450979790611 0.135028187363} BPADA_6FPDA_unit_5::C16 378 -1 1 {} H 0.0 {0.783027281018 0.46539848659 0.230631819831} BPADA_6FPDA_unit_5::H8 379 -1 6 {} C 0.0 {0.893718364845 0.450150940437 0.194512796857} BPADA_6FPDA_unit_5::C17 380 -1 1 {} H 0.0 {0.913942675223 0.436181973042 0.248739507426} BPADA_6FPDA_unit_5::H9 381 -1 6 {} C 0.0 {0.820232530904 0.467266605913 0.184579889184} BPADA_6FPDA_unit_5::C18 382 -1 6 {} C 0.0 {0.915379651728 0.469259944868 0.0655145800355} BPADA_6FPDA_unit_5::C19 383 -1 1 {} H 0.0 {0.952427419079 0.469152692958 0.0189136146707} BPADA_6FPDA_unit_5::H10 384 -1 6 {} C 0.0 {0.84204337244 0.487352479136 0.0557453901426} BPADA_6FPDA_unit_5::C20 385 -1 1 {} H 0.0 {0.822022412391 0.502252529642 0.00183546670568} BPADA_6FPDA_unit_5::H11 386 -1 6 {} C 0.0 {0.794428773626 0.486442963544 0.115235397691} BPADA_6FPDA_unit_5::C21 387 -1 8 {} O 0.0 {0.71561101804 0.50584545728 0.104720112687} BPADA_6FPDA_unit_5::O4 388 -1 6 {} C 0.0 {0.69788175675 0.572445095755 0.148906760887} BPADA_6FPDA_unit_5::C22 389 -1 1 {} H 0.0 {0.732448341843 0.651340337058 0.316778701438} BPADA_6FPDA_unit_5::H12 390 -1 6 {} C 0.0 {0.728503193151 0.581519418942 0.220594955832} BPADA_6FPDA_unit_5::C23 391 -1 1 {} H 0.0 {0.765246876686 0.540794685064 0.242706298293} BPADA_6FPDA_unit_5::H13 392 -1 6 {} C 0.0 {0.710926527012 0.643914317463 0.262065410767} BPADA_6FPDA_unit_5::C24 393 -1 6 {} C 0.0 {0.650723425801 0.6267641459 0.120312350398} BPADA_6FPDA_unit_5::C25 394 -1 1 {} H 0.0 {0.627328153112 0.621685566601 0.0658477464922} BPADA_6FPDA_unit_5::H14 395 -1 6 {} C 0.0 {0.635772960924 0.686316118781 0.163509956642} BPADA_6FPDA_unit_5::C26 396 -1 6 {} C 0.0 {0.665713729659 0.694837531895 0.231502497291} BPADA_6FPDA_unit_5::C27 397 -1 6 {} C 0.0 {0.0281886621045 0.361281119144 0.190731347721} BPADA_6FPDA_unit_5::C28 398 -1 6 {} C 0.0 {0.0572248018026 0.420223111359 0.0704025107966} BPADA_6FPDA_unit_5::C29 399 -1 6 {} C 0.0 {0.58653291109 0.752280546822 0.145655088702} BPADA_6FPDA_unit_5::C30 400 -1 6 {} C 0.0 {0.640674610105 0.767428994266 0.264989650692} BPADA_6FPDA_unit_5::C31 401 -1 7 {} N 0.0 {0.591097458853 0.803787540686 0.210386790261} BPADA_6FPDA_unit_5::N2 402 -1 1 {} H 0.0 {0.0854690373986 0.34617180866 0.19635592687} BPADA_6FPDA_unit_5::H15 403 -1 1 {} H 0.0 {0.998902500043 0.317932366429 0.163228858269} BPADA_6FPDA_unit_5::H16 404 -1 1 {} H 0.0 {0.00429288986585 0.36990057817 0.24451892171} BPADA_6FPDA_unit_5::H17 405 -1 1 {} H 0.0 {0.0532341691931 0.470510857008 0.0387442854464} BPADA_6FPDA_unit_5::H18 406 -1 1 {} H 0.0 {0.0289007729729 0.376661006345 0.0418031965368} BPADA_6FPDA_unit_5::H19 407 -1 1 {} H 0.0 {0.114381995808 0.405678226417 0.077317901015} BPADA_6FPDA_unit_5::H20 408 -1 8 {} O 0.0 {0.662904199064 0.797247597684 0.337834359829} BPADA_6FPDA_unit_5::O5 409 -1 8 {} O 0.0 {0.543781543859 0.763280293847 0.0770213200875} BPADA_6FPDA_unit_5::O6 410 -1 6 {} C 0.0 {0.556014756885 0.879394067317 0.219077341054} BPADA_6FPDA_unit_5::C32 411 -1 1 {} H 0.0 {0.541858449107 0.015038860994 0.346370293235} BPADA_6FPDA_unit_5::H21 412 -1 6 {} C 0.0 {0.562161375749 0.915575258509 0.286178290366} BPADA_6FPDA_unit_5::C33 413 -1 1 {} H 0.0 {0.586522935914 0.887625064926 0.332689069582} BPADA_6FPDA_unit_5::H22 414 -1 6 {} C 0.0 {0.536892278367 0.987329339549 0.293930994566} BPADA_6FPDA_unit_5::C34 415 -1 6 {} C 0.0 {0.516980529802 0.912339215181 0.161579217813} BPADA_6FPDA_unit_5::C35 416 -1 1 {} H 0.0 {0.506434993496 0.882102707483 0.111275379661} BPADA_6FPDA_unit_5::H23 417 -1 6 {} C 0.0 {0.491464373062 0.985089556488 0.169424180724} BPADA_6FPDA_unit_5::C36 418 -1 1 {} H 0.0 {0.461727189003 0.0112997686878 0.12506047455} BPADA_6FPDA_unit_5::H24 419 -1 6 {} C 0.0 {0.505064608454 0.0235418866626 0.234988347797} BPADA_6FPDA_unit_5::C37 420 -1 6 {} C 0.0 {0.484393302834 0.106601310456 0.243512658628} BPADA_6FPDA_unit_5::C38 421 -1 6 {} C 0.0 {0.49054842766 0.128614097677 0.323589245702} BPADA_6FPDA_unit_5::C39 422 -1 1 {} H 0.0 {0.395810850461 0.215874639284 0.457106541289} BPADA_6FPDA_unit_5::H25 423 -1 6 {} C 0.0 {0.431657203815 0.160366606258 0.359391158087} BPADA_6FPDA_unit_5::C40 424 -1 1 {} H 0.0 {0.378319160874 0.161990261644 0.333221082708} BPADA_6FPDA_unit_5::H26 425 -1 6 {} C 0.0 {0.441324236382 0.190169878128 0.429185133402} BPADA_6FPDA_unit_5::C41 426 -1 6 {} C 0.0 {0.55728572596 0.121333315306 0.358811514802} BPADA_6FPDA_unit_5::C42 427 -1 1 {} H 0.0 {0.601062194467 0.0903853163605 0.33316701024} BPADA_6FPDA_unit_5::H27 428 -1 6 {} C 0.0 {0.567947690405 0.152835291235 0.426778482575} BPADA_6FPDA_unit_5::C43 429 -1 1 {} H 0.0 {0.621648465131 0.152058395207 0.451275084852} BPADA_6FPDA_unit_5::H28 430 -1 6 {} C 0.0 {0.509915897792 0.186967040071 0.462683558609} BPADA_6FPDA_unit_5::C44 431 -1 6 {} C 0.0 {0.5404364984 0.156769686379 0.202733603359} BPADA_6FPDA_unit_5::C45 432 -1 6 {} C 0.0 {0.406824035325 0.122022841567 0.216370573682} BPADA_6FPDA_unit_5::C46 433 -1 9 {} F 0.0 {0.353855099531 0.0750923120476 0.256800268771} BPADA_6FPDA_unit_5::F1 434 -1 9 {} F 0.0 {0.388444189135 0.200250683081 0.227884225864} BPADA_6FPDA_unit_5::F2 435 -1 9 {} F 0.0 {0.403517406548 0.105454396865 0.136901828815} BPADA_6FPDA_unit_5::F3 436 -1 9 {} F 0.0 {0.528465393577 0.156178523147 0.121951369538} BPADA_6FPDA_unit_5::F4 437 -1 9 {} F 0.0 {0.530582232152 0.233448411496 0.229593562841} BPADA_6FPDA_unit_5::F5 438 -1 9 {} F 0.0 {0.617083756576 0.13074745879 0.222267505862} BPADA_6FPDA_unit_5::F6 439 -1 7 {} N 0.0 {0.936640167242 0.929182096772 0.335654424924} BPADA_6FPDA_unit_5::N3 440 -1 6 {} C 0.0 {0.505896242025 0.285581182983 0.653882077899} BPADA_6FPDA_unit_6::C1 441 -1 1 {} H 0.0 {0.677268985942 0.245816907493 0.713744314242} BPADA_6FPDA_unit_6::H1 442 -1 6 {} C 0.0 {0.576107885592 0.259525619159 0.654110406828} BPADA_6FPDA_unit_6::C2 443 -1 6 {} C 0.0 {0.622876827515 0.270151925815 0.712768566002} BPADA_6FPDA_unit_6::C3 444 -1 6 {} C 0.0 {0.478137128972 0.326315415858 0.70996033876} BPADA_6FPDA_unit_6::C4 445 -1 1 {} H 0.0 {0.421742053116 0.345282110702 0.708939174012} BPADA_6FPDA_unit_6::H2 446 -1 6 {} C 0.0 {0.524736389543 0.343206959612 0.769212690868} BPADA_6FPDA_unit_6::C5 447 -1 6 {} C 0.0 {0.597331557872 0.313578461368 0.77178107337} BPADA_6FPDA_unit_6::C6 448 -1 1 {} H 0.0 {0.632705284709 0.324747496112 0.818523254269} BPADA_6FPDA_unit_6::H3 449 -1 6 {} C 0.0 {0.590972219424 0.21841178172 0.5819575769} BPADA_6FPDA_unit_6::C7 450 -1 6 {} C 0.0 {0.466918691428 0.262482735859 0.582901654228} BPADA_6FPDA_unit_6::C8 451 -1 8 {} O 0.0 {0.660819923706 0.183896253636 0.559356969816} BPADA_6FPDA_unit_6::O1 452 -1 8 {} O 0.0 {0.389483691431 0.279349192484 0.562467552681} BPADA_6FPDA_unit_6::O2 453 -1 8 {} O 0.0 {0.498258227999 0.392713707881 0.827721950276} BPADA_6FPDA_unit_6::O3 454 -1 6 {} C 0.0 {0.494620276546 0.466428581383 0.793494541034} BPADA_6FPDA_unit_6::C9 455 -1 1 {} H 0.0 {0.422115368519 0.548682604787 0.642859092338} BPADA_6FPDA_unit_6::H4 456 -1 6 {} C 0.0 {0.451907810072 0.476079927151 0.730671279748} BPADA_6FPDA_unit_6::C10 457 -1 1 {} H 0.0 {0.416471781136 0.431980810085 0.711679147732} BPADA_6FPDA_unit_6::H5 458 -1 6 {} C 0.0 {0.454530631285 0.541854066453 0.692331257556} BPADA_6FPDA_unit_6::C11 459 -1 6 {} C 0.0 {0.536209350837 0.524418380153 0.821017672825} BPADA_6FPDA_unit_6::C12 460 -1 1 {} H 0.0 {0.566951980938 0.517878320523 0.871870201204} BPADA_6FPDA_unit_6::H6 461 -1 6 {} C 0.0 {0.538417969668 0.591004358282 0.782941956202} BPADA_6FPDA_unit_6::C13 462 -1 1 {} H 0.0 {0.570561350138 0.636393809012 0.804179602555} BPADA_6FPDA_unit_6::H7 463 -1 6 {} C 0.0 {0.498896604918 0.598969494167 0.717258784942} BPADA_6FPDA_unit_6::C14 464 -1 6 {} C 0.0 {0.503847507724 0.670855956635 0.672876984649} BPADA_6FPDA_unit_6::C15 465 -1 6 {} C 0.0 {0.435127891677 0.679311110039 0.624177536874} BPADA_6FPDA_unit_6::C16 466 -1 1 {} H 0.0 {0.373542274883 0.773112251447 0.474071558979} BPADA_6FPDA_unit_6::H8 467 -1 6 {} C 0.0 {0.437304545906 0.723416725451 0.561181606068} BPADA_6FPDA_unit_6::C17 468 -1 1 {} H 0.0 {0.489274000141 0.74559494349 0.541947334552} BPADA_6FPDA_unit_6::H9 469 -1 6 {} C 0.0 {0.372309971007 0.738551660352 0.522856114559} BPADA_6FPDA_unit_6::C18 470 -1 6 {} C 0.0 {0.369690559636 0.645461689253 0.644639070968} BPADA_6FPDA_unit_6::C19 471 -1 1 {} H 0.0 {0.369068474176 0.60705262164 0.690177738257} BPADA_6FPDA_unit_6::H10 472 -1 6 {} C 0.0 {0.30501193141 0.66064568367 0.606453439456} BPADA_6FPDA_unit_6::C20 473 -1 1 {} H 0.0 {0.253996998603 0.634647057567 0.622767323312} BPADA_6FPDA_unit_6::H11 474 -1 6 {} C 0.0 {0.305715301464 0.709064696284 0.54750242968} BPADA_6FPDA_unit_6::C21 475 -1 8 {} O 0.0 {0.235121146662 0.729266854168 0.510583842587} BPADA_6FPDA_unit_6::O4 476 -1 6 {} C 0.0 {0.211073459142 0.801079810756 0.541530873135} BPADA_6FPDA_unit_6::C22 477 -1 1 {} H 0.0 {0.248002237129 0.985376078081 0.525144500524} BPADA_6FPDA_unit_6::H12 478 -1 6 {} C 0.0 {0.240061212605 0.867274509043 0.511710032904} BPADA_6FPDA_unit_6::C23 479 -1 1 {} H 0.0 {0.272613442 0.865708543982 0.462092839564} BPADA_6FPDA_unit_6::H13 480 -1 6 {} C 0.0 {0.22622207388 0.93451059207 0.546745973419} BPADA_6FPDA_unit_6::C24 481 -1 6 {} C 0.0 {0.162968910259 0.80401757561 0.602792875804} BPADA_6FPDA_unit_6::C25 482 -1 1 {} H 0.0 {0.136436461974 0.754786284628 0.623849586038} BPADA_6FPDA_unit_6::H14 483 -1 6 {} C 0.0 {0.151348128297 0.871655992816 0.634540794289} BPADA_6FPDA_unit_6::C26 484 -1 6 {} C 0.0 {0.184507653963 0.933868430362 0.608729885434} BPADA_6FPDA_unit_6::C27 485 -1 6 {} C 0.0 {0.572848380165 0.669405249733 0.624902674583} BPADA_6FPDA_unit_6::C28 486 -1 6 {} C 0.0 {0.507963802545 0.736446433921 0.725631036291} BPADA_6FPDA_unit_6::C29 487 -1 6 {} C 0.0 {0.105227391603 0.890952153385 0.702539006506} BPADA_6FPDA_unit_6::C30 488 -1 6 {} C 0.0 {0.166844475775 0.99838483327 0.659039574839} BPADA_6FPDA_unit_6::C31 489 -1 7 {} N 0.0 {0.122443302247 0.969711649048 0.720290237351} BPADA_6FPDA_unit_6::N2 490 -1 1 {} H 0.0 {0.621069411306 0.664777811669 0.659581792986} BPADA_6FPDA_unit_6::H15 491 -1 1 {} H 0.0 {0.575976277808 0.719685575521 0.593213514379} BPADA_6FPDA_unit_6::H16 492 -1 1 {} H 0.0 {0.570339455357 0.62286755854 0.58796194993} BPADA_6FPDA_unit_6::H17 493 -1 1 {} H 0.0 {0.458875967832 0.737899414605 0.759198738177} BPADA_6FPDA_unit_6::H18 494 -1 1 {} H 0.0 {0.511965395195 0.786947226232 0.694198453881} BPADA_6FPDA_unit_6::H19 495 -1 1 {} H 0.0 {0.555899797851 0.731067803453 0.760609889398} BPADA_6FPDA_unit_6::H20 496 -1 8 {} O 0.0 {0.190282879298 0.0755777577233 0.649287732072} BPADA_6FPDA_unit_6::O5 497 -1 8 {} O 0.0 {0.0567156918792 0.840396187813 0.7450646655} BPADA_6FPDA_unit_6::O6 498 -1 6 {} C 0.0 {0.0978762672312 0.0125841186101 0.785088556945} BPADA_6FPDA_unit_6::C32 499 -1 1 {} H 0.0 {0.165381625362 0.140031335966 0.902982613507} BPADA_6FPDA_unit_6::H21 500 -1 6 {} C 0.0 {0.143197152614 0.0685098598508 0.811924856295} BPADA_6FPDA_unit_6::C33 501 -1 1 {} H 0.0 {0.191282236216 0.0848567336702 0.781170274774} BPADA_6FPDA_unit_6::H22 502 -1 6 {} C 0.0 {0.126438778231 0.103201053188 0.877857282185} BPADA_6FPDA_unit_6::C34 503 -1 6 {} C 0.0 {0.0341651088519 0.995196697235 0.82051771048} BPADA_6FPDA_unit_6::C35 504 -1 1 {} H 0.0 {0.998971975602 0.951852377957 0.799568663128} BPADA_6FPDA_unit_6::H23 505 -1 6 {} C 0.0 {0.0147598135772 0.0329786150905 0.882492744846} BPADA_6FPDA_unit_6::C36 506 -1 1 {} H 0.0 {0.963170212676 0.0205520040506 0.909489559416} BPADA_6FPDA_unit_6::H24 507 -1 6 {} C 0.0 {0.0619697433045 0.0883812446544 0.911761446991} BPADA_6FPDA_unit_6::C37 508 -1 6 {} C 0.0 {0.0389026114799 0.129354114956 0.9862887956} BPADA_6FPDA_unit_6::C38 509 -1 6 {} C 0.0 {0.971167854631 0.181315836806 0.978676201474} BPADA_6FPDA_unit_6::C39 510 -1 1 {} H 0.0 {0.80172055037 0.202586369043 0.0557914698713} BPADA_6FPDA_unit_6::H25 511 -1 6 {} C 0.0 {0.908268589939 0.165408755285 0.0203552283389} BPADA_6FPDA_unit_6::C40 512 -1 1 {} H 0.0 {0.905114854433 0.114292884481 0.0510479601039} BPADA_6FPDA_unit_6::H26 513 -1 6 {} C 0.0 {0.850079504703 0.214811655435 0.0226742663224} BPADA_6FPDA_unit_6::C41 514 -1 6 {} C 0.0 {0.973012816367 0.244812148091 0.936034034026} BPADA_6FPDA_unit_6::C42 515 -1 1 {} H 0.0 {0.0173378763381 0.255134520954 0.900662188367} BPADA_6FPDA_unit_6::H27 516 -1 6 {} C 0.0 {0.915631419021 0.294746409128 0.939255722704} BPADA_6FPDA_unit_6::C43 517 -1 1 {} H 0.0 {0.919147107141 0.345542406166 0.908413758936} BPADA_6FPDA_unit_6::H28 518 -1 6 {} C 0.0 {0.853896042263 0.28003088312 0.982687867575} BPADA_6FPDA_unit_6::C44 519 -1 6 {} C 0.0 {0.0156025825906 0.070271947798 0.0430400698834} BPADA_6FPDA_unit_6::C45 520 -1 6 {} C 0.0 {0.103455238668 0.17189871307 0.0170563690035} BPADA_6FPDA_unit_6::C46 521 -1 9 {} F 0.0 {0.127028559781 0.229951766227 0.964957062505} BPADA_6FPDA_unit_6::F1 522 -1 9 {} F 0.0 {0.0805202988033 0.205392476101 0.0865111748422} BPADA_6FPDA_unit_6::F2 523 -1 9 {} F 0.0 {0.164826975782 0.120967960693 0.030748564469} BPADA_6FPDA_unit_6::F3 524 -1 9 {} F 0.0 {0.992563683394 0.106353556458 0.112255768857} BPADA_6FPDA_unit_6::F4 525 -1 9 {} F 0.0 {0.952465530537 0.0279338183022 0.012916280355} BPADA_6FPDA_unit_6::F5 526 -1 9 {} F 0.0 {0.0774537201023 0.0197480666002 0.0575547194409} BPADA_6FPDA_unit_6::F6 527 -1 7 {} N 0.0 {0.521600853563 0.220262569515 0.538098832813} BPADA_6FPDA_unit_6::N3 528 -1 1 {} H 0.0 {0.919594424323 0.0641705905415 0.474467235634} H_head 529 -1 1 {} H 0.0 {0.80907563457 0.319481950289 0.985479358014} H_tail 530 -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} {18.3072193523 18.3072193523 18.3072193523 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{18.3072193523 0 0} {0 18.3072193523 0} {0 0 18.3072193523}} {{0.0546232598603 0 0} {0 0.0546232598603 0} {0 0 0.0546232598603}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 3 1 0 0 3 2 0 1 7 3 0 1 2 0 0 1 4 0 0 1 5 4 0 0 6 4 0 1 7 6 0 1 8 7 0 0 9 2 0 0 10 0 0 0 11 9 0 0 12 10 0 0 13 6 0 0 14 13 0 0 18 15 0 0 18 16 0 1 23 18 0 1 17 16 0 0 16 14 0 1 19 14 0 1 20 19 0 0 21 19 0 1 22 21 0 0 23 21 0 1 24 23 0 0 25 24 0 0 29 26 0 0 29 27 0 1 34 29 0 1 28 27 0 0 27 25 0 1 30 25 0 1 31 30 0 0 32 30 0 1 33 32 0 0 34 32 0 1 35 34 0 0 36 35 0 0 40 37 0 0 40 38 0 1 44 40 0 1 39 38 0 0 38 36 0 1 41 36 0 1 42 41 0 0 43 41 0 1 44 43 0 1 45 24 0 0 46 24 0 0 47 43 0 0 48 44 0 0 49 48 0 0 49 47 0 0 50 45 0 0 51 45 0 0 52 45 0 0 53 46 0 0 54 46 0 0 55 46 0 0 56 48 0 0 57 47 0 0 62 59 0 0 62 60 0 1 67 62 0 1 61 60 0 0 60 58 0 1 63 58 0 1 64 63 0 0 65 63 0 1 66 65 0 0 67 65 0 1 68 67 0 0 69 68 0 0 73 70 0 0 73 71 0 1 78 73 0 1 72 71 0 0 71 69 0 1 74 69 0 1 75 74 0 0 76 74 0 1 77 76 0 0 78 76 0 1 79 68 0 0 80 68 0 0 81 80 0 0 82 80 0 0 83 80 0 0 84 79 0 0 85 79 0 0 86 79 0 0 58 49 0 0 87 10 0 0 87 9 0 0 91 89 0 0 91 90 0 1 95 91 0 1 90 88 0 1 92 88 0 1 93 92 0 0 94 92 0 1 95 94 0 1 96 95 0 0 97 90 0 0 98 88 0 0 99 97 0 0 100 98 0 0 101 94 0 0 102 101 0 0 106 103 0 0 106 104 0 1 111 106 0 1 105 104 0 0 104 102 0 1 107 102 0 1 108 107 0 0 109 107 0 1 110 109 0 0 111 109 0 1 112 111 0 0 113 112 0 0 117 114 0 0 117 115 0 1 122 117 0 1 116 115 0 0 115 113 0 1 118 113 0 1 119 118 0 0 120 118 0 1 121 120 0 0 122 120 0 1 123 122 0 0 124 123 0 0 128 125 0 0 128 126 0 1 132 128 0 1 127 126 0 0 126 124 0 1 129 124 0 1 130 129 0 0 131 129 0 1 132 131 0 1 133 112 0 0 134 112 0 0 135 131 0 0 136 132 0 0 137 136 0 0 137 135 0 0 138 133 0 0 139 133 0 0 140 133 0 0 141 134 0 0 142 134 0 0 143 134 0 0 144 136 0 0 145 135 0 0 150 147 0 0 150 148 0 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0 529 518 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 3 1 {0 0 0} 0 1 3 2 {0 0 0} 0 2 7 3 {0 0 0} 0 3 2 0 {0 0 0} 0 4 4 0 {0 0 0} 0 5 5 4 {0 0 0} 0 6 6 4 {0 0 0} 0 7 7 6 {0 0 0} 0 8 8 7 {0 0 0} 0 9 9 2 {0 0 0} 0 10 10 0 {0 0 0} 0 11 11 9 {0 0 0} 0 12 12 10 {0 0 0} 0 13 13 6 {0 0 0} 0 14 14 13 {-1 0 0} 0 15 18 15 {0 0 0} 0 16 18 16 {0 0 0} 0 17 23 18 {0 0 0} 0 18 17 16 {0 0 0} 0 19 16 14 {0 0 0} 0 20 19 14 {0 0 0} 0 21 20 19 {1 0 0} 0 22 21 19 {0 0 0} 0 23 22 21 {0 0 0} 0 24 23 21 {0 0 0} 0 25 24 23 {0 0 0} 0 26 25 24 {0 0 0} 0 27 29 26 {0 0 0} 0 28 29 27 {0 0 0} 0 29 34 29 {0 0 0} 0 30 28 27 {0 0 0} 0 31 27 25 {0 0 0} 0 32 30 25 {0 0 1} 0 33 31 30 {0 0 0} 0 34 32 30 {0 0 0} 0 35 33 32 {0 0 0} 0 36 34 32 {0 0 -1} 0 37 35 34 {0 1 1} 0 38 36 35 {0 0 0} 0 39 40 37 {0 0 0} 0 40 40 38 {0 0 0} 0 41 44 40 {0 0 1} 0 42 39 38 {0 0 0} 0 43 38 36 {0 0 -1} 0 44 41 36 {0 0 0} 0 45 42 41 {0 0 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