#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 {0.958288860497 0.168086660729 0.356927903109} BPADA_6FPDA_unit_1::C1 1 1 1 {} H 0.0 {0.88472111653 0.333129999412 0.401678137044} BPADA_6FPDA_unit_1::H1 2 1 6 {} C 0.0 {0.940631816495 0.229390713556 0.398137108881} BPADA_6FPDA_unit_1::C2 3 1 6 {} C 0.0 {0.901218004042 0.287015711918 0.367875155851} BPADA_6FPDA_unit_1::C3 4 1 6 {} C 0.0 {0.941330093537 0.163012045689 0.283367938232} BPADA_6FPDA_unit_1::C4 5 1 1 {} H 0.0 {0.959782659856 0.116829734951 0.250478122307} BPADA_6FPDA_unit_1::H2 6 1 6 {} C 0.0 {0.916220221909 0.227160584334 0.251299232345} BPADA_6FPDA_unit_1::C5 7 1 6 {} C 0.0 {0.890094525157 0.286416660144 0.292562523155} BPADA_6FPDA_unit_1::C6 8 1 1 {} H 0.0 {0.868137803546 0.3347315633 0.265167937391} BPADA_6FPDA_unit_1::H3 9 1 6 {} C 0.0 {0.980704145435 0.224425527102 0.467800616427} BPADA_6FPDA_unit_1::C7 10 1 6 {} C 0.0 {0.0144801759746 0.125431631455 0.396445371072} BPADA_6FPDA_unit_1::C8 11 1 8 {} O 0.0 {0.981952762248 0.268712628667 0.519399973446} BPADA_6FPDA_unit_1::O1 12 1 8 {} O 0.0 {0.0511294941314 0.074200971621 0.372727714337} BPADA_6FPDA_unit_1::O2 13 1 8 {} O 0.0 {0.932778211907 0.23772245818 0.17810202159} BPADA_6FPDA_unit_1::O3 14 1 6 {} C 0.0 {0.00855325478896 0.237337246512 0.16565308835} BPADA_6FPDA_unit_1::C9 15 1 1 {} H 0.0 {0.175892186921 0.199611483884 0.233953380915} BPADA_6FPDA_unit_1::H4 16 1 6 {} C 0.0 {0.0627043245836 0.21516756685 0.214497123023} BPADA_6FPDA_unit_1::C10 17 1 1 {} H 0.0 {0.050840014715 0.197621191505 0.269340744025} BPADA_6FPDA_unit_1::H5 18 1 6 {} C 0.0 {0.135805472692 0.219295380403 0.194665570042} BPADA_6FPDA_unit_1::C11 19 1 6 {} C 0.0 {0.0293933689628 0.271143067468 0.101082000337} BPADA_6FPDA_unit_1::C12 20 1 1 {} H 0.0 {0.98658392477 0.296673271624 0.0693756303627} BPADA_6FPDA_unit_1::H6 21 1 6 {} C 0.0 {0.102348280538 0.27708785074 0.0828953407626} BPADA_6FPDA_unit_1::C13 22 1 1 {} H 0.0 {0.116311504636 0.306648526001 0.0336712897628} BPADA_6FPDA_unit_1::H7 23 1 6 {} C 0.0 {0.157636593266 0.247910344997 0.127525037023} BPADA_6FPDA_unit_1::C14 24 1 6 {} C 0.0 {0.236767532941 0.249223902939 0.103584639363} BPADA_6FPDA_unit_1::C15 25 1 6 {} C 0.0 {0.257972123296 0.17662684359 0.066561491204} BPADA_6FPDA_unit_1::C16 26 1 1 {} H 0.0 {0.361569488948 0.0287677038943 0.109785124488} BPADA_6FPDA_unit_1::H8 27 1 6 {} C 0.0 {0.298100312669 0.127166493664 0.106838122717} BPADA_6FPDA_unit_1::C17 28 1 1 {} H 0.0 {0.308618037513 0.141575653926 0.162654262495} BPADA_6FPDA_unit_1::H9 29 1 6 {} C 0.0 {0.323640276525 0.0617211822539 0.0792294044076} BPADA_6FPDA_unit_1::C18 30 1 6 {} C 0.0 {0.243134016063 0.155015465879 0.994830303242} BPADA_6FPDA_unit_1::C19 31 1 1 {} H 0.0 {0.214074295056 0.191055774322 0.957850889706} BPADA_6FPDA_unit_1::H10 32 1 6 {} C 0.0 {0.260929263529 0.0857219232114 0.968199441694} BPADA_6FPDA_unit_1::C20 33 1 1 {} H 0.0 {0.24592440331 0.0705290564796 0.912953309915} BPADA_6FPDA_unit_1::H11 34 1 6 {} C 0.0 {0.298998095388 0.0367492265073 0.0124530066745} BPADA_6FPDA_unit_1::C21 35 1 8 {} O 0.0 {0.320122463608 0.965084773037 -0.00599696086592} BPADA_6FPDA_unit_1::O4 36 1 6 {} C 0.0 {0.271614689559 0.909157782085 0.980628105858} BPADA_6FPDA_unit_1::C22 37 1 1 {} H 0.0 {0.268050549633 0.723634162015 0.0134057459034} BPADA_6FPDA_unit_1::H12 38 1 6 {} C 0.0 {0.295144409832 0.837955506402 0.000147055169343} BPADA_6FPDA_unit_1::C23 39 1 1 {} H 0.0 {0.348954378464 0.83233417292 0.0246556160825} BPADA_6FPDA_unit_1::H13 40 1 6 {} C 0.0 {0.251047377768 0.77643423162 -0.00772831878486} BPADA_6FPDA_unit_1::C24 41 1 6 {} C 0.0 {0.203621649118 0.917627605039 0.946893805891} BPADA_6FPDA_unit_1::C25 42 1 1 {} H 0.0 {0.181253203321 0.969363454843 0.92946973345} BPADA_6FPDA_unit_1::H14 43 1 6 {} C 0.0 {0.164268229687 0.854350368959 0.933558159782} BPADA_6FPDA_unit_1::C26 44 1 6 {} C 0.0 {0.184856783735 0.784913733008 0.955854484685} BPADA_6FPDA_unit_1::C27 45 1 6 {} C 0.0 {0.286601464596 0.265604249117 0.169282143104} BPADA_6FPDA_unit_1::C28 46 1 6 {} C 0.0 {0.249936786633 0.311416447834 0.0509639979304} BPADA_6FPDA_unit_1::C29 47 1 6 {} C 0.0 {0.103362260644 0.846833847342 0.882018547191} BPADA_6FPDA_unit_1::C30 48 1 6 {} C 0.0 {0.135202855309 0.730431088649 0.921763012624} BPADA_6FPDA_unit_1::C31 49 1 7 {} N 0.0 {0.0829734356572 0.771850878846 0.879762108757} BPADA_6FPDA_unit_1::N2 50 1 1 {} H 0.0 {0.277279400451 0.322102382515 0.187443342897} BPADA_6FPDA_unit_1::H15 51 1 1 {} H 0.0 {0.343804481583 0.259861857982 0.151789478326} BPADA_6FPDA_unit_1::H16 52 1 1 {} H 0.0 {0.277604034806 0.229326738773 0.215946429115} BPADA_6FPDA_unit_1::H17 53 1 1 {} H 0.0 {0.222145542285 0.302322241955 0.999015663145} BPADA_6FPDA_unit_1::H18 54 1 1 {} H 0.0 {0.308518680423 0.314675874945 0.0402516686753} BPADA_6FPDA_unit_1::H19 55 1 1 {} H 0.0 {0.230864594492 0.363309570086 0.0738385751937} BPADA_6FPDA_unit_1::H20 56 1 8 {} O 0.0 {0.139556648413 0.66385126727 0.923897111148} BPADA_6FPDA_unit_1::O5 57 1 8 {} O 0.0 {0.0796546483336 0.894865949046 0.842446243299} BPADA_6FPDA_unit_1::O6 58 1 6 {} C 0.0 {0.0186977010222 0.746677729097 0.843627945839} BPADA_6FPDA_unit_1::C32 59 1 1 {} H 0.0 {0.855762951934 0.818496074449 0.796227038387} BPADA_6FPDA_unit_1::H21 60 1 6 {} C 0.0 {0.963621276712 0.79751367678 0.828035151219} BPADA_6FPDA_unit_1::C33 61 1 1 {} H 0.0 {0.972619280734 0.855408049745 0.835724796701} BPADA_6FPDA_unit_1::H22 62 1 6 {} C 0.0 {0.895263314173 0.775352478492 0.805340105361} BPADA_6FPDA_unit_1::C34 63 1 6 {} C 0.0 {0.00481207120615 0.673701722668 0.82525356896} BPADA_6FPDA_unit_1::C35 64 1 1 {} H 0.0 {0.046862283077 0.632292711046 0.833231247038} BPADA_6FPDA_unit_1::H23 65 1 6 {} C 0.0 {0.934864031893 0.652060644562 0.801833212894} BPADA_6FPDA_unit_1::C36 66 1 1 {} H 0.0 {0.927353494978 0.594257957665 0.789809024717} BPADA_6FPDA_unit_1::H24 67 1 6 {} C 0.0 {0.876225323761 0.701608426273 0.797000530611} BPADA_6FPDA_unit_1::C37 68 1 6 {} C 0.0 {0.794371460243 0.685220710905 0.778275227766} BPADA_6FPDA_unit_1::C38 69 1 6 {} C 0.0 {0.783605815967 0.702540523499 0.697389333285} BPADA_6FPDA_unit_1::C39 70 1 1 {} H 0.0 {0.760486490304 0.848398522809 0.584225934685} BPADA_6FPDA_unit_1::H25 71 1 6 {} C 0.0 {0.774074493221 0.774432673056 0.673803303287} BPADA_6FPDA_unit_1::C40 72 1 1 {} H 0.0 {0.770890539062 0.819682324758 0.711694855736} BPADA_6FPDA_unit_1::H26 73 1 6 {} C 0.0 {0.768477281979 0.791810406033 0.600563532635} BPADA_6FPDA_unit_1::C41 74 1 6 {} C 0.0 {0.786847433235 0.647507491462 0.644488879724} BPADA_6FPDA_unit_1::C42 75 1 1 {} H 0.0 {0.793664578893 0.59032975073 0.658268492323} BPADA_6FPDA_unit_1::H27 76 1 6 {} C 0.0 {0.780812890483 0.663397957565 0.570957426573} BPADA_6FPDA_unit_1::C43 77 1 1 {} H 0.0 {0.783732883115 0.619963008025 0.530648039218} BPADA_6FPDA_unit_1::H28 78 1 6 {} C 0.0 {0.772947816172 0.735884043754 0.548324763467} BPADA_6FPDA_unit_1::C44 79 1 6 {} C 0.0 {0.76573613403 0.604764861385 0.791236106942} BPADA_6FPDA_unit_1::C45 80 1 6 {} C 0.0 {0.740937713956 0.732549746875 0.827157789374} BPADA_6FPDA_unit_1::C46 81 1 9 {} F 0.0 {0.669983309815 0.717862775912 0.808969207} BPADA_6FPDA_unit_1::F1 82 1 9 {} F 0.0 {0.748488922098 0.7193806289 0.899524131984} BPADA_6FPDA_unit_1::F2 83 1 9 {} F 0.0 {0.746922691759 0.806886329008 0.820969260344} BPADA_6FPDA_unit_1::F3 84 1 9 {} F 0.0 {0.814273706048 0.553215435057 0.767863174611} BPADA_6FPDA_unit_1::F4 85 1 9 {} F 0.0 {0.751286317192 0.588312939484 0.862721551392} BPADA_6FPDA_unit_1::F5 86 1 9 {} F 0.0 {0.702394222904 0.591820441461 0.754867960907} BPADA_6FPDA_unit_1::F6 87 1 7 {} N 0.0 {0.0227585072252 0.160250859346 0.46352454496} BPADA_6FPDA_unit_1::N3 88 1 6 {} C 0.0 {0.79291470533 0.822889577625 0.371351539002} BPADA_6FPDA_unit_2::C1 89 1 1 {} H 0.0 {0.845639571628 0.679333467098 0.265813326593} BPADA_6FPDA_unit_2::H1 90 1 6 {} C 0.0 {0.812350896569 0.751653839375 0.353777241983} BPADA_6FPDA_unit_2::C2 91 1 6 {} C 0.0 {0.830515934516 0.734332569165 0.282595582897} BPADA_6FPDA_unit_2::C3 92 1 6 {} C 0.0 {0.793902988751 0.880715553679 0.323302435638} BPADA_6FPDA_unit_2::C4 93 1 1 {} H 0.0 {0.780821639822 0.934066181483 0.344617262511} BPADA_6FPDA_unit_2::H2 94 1 6 {} C 0.0 {0.811842920083 0.863171362065 0.251012645147} BPADA_6FPDA_unit_2::C5 95 1 6 {} C 0.0 {0.826150670196 0.790514797605 0.232374231026} BPADA_6FPDA_unit_2::C6 96 1 1 {} H 0.0 {0.833751917936 0.782014057112 0.174817583322} BPADA_6FPDA_unit_2::H3 97 1 6 {} C 0.0 {0.802094641158 0.70506276296 0.417822310037} BPADA_6FPDA_unit_2::C7 98 1 6 {} C 0.0 {0.766352660761 0.824592864316 0.446550240419} BPADA_6FPDA_unit_2::C8 99 1 8 {} O 0.0 {0.812828738349 0.639272429662 0.423117339566} BPADA_6FPDA_unit_2::O1 100 1 8 {} O 0.0 {0.740492849996 0.876457999465 0.479279668229} BPADA_6FPDA_unit_2::O2 101 1 8 {} O 0.0 {0.818826332482 0.908115231284 0.192152274572} BPADA_6FPDA_unit_2::O3 102 1 6 {} C 0.0 {0.781585796028 0.972873392024 0.182082546218} BPADA_6FPDA_unit_2::C9 103 1 1 {} H 0.0 {0.744831474265 0.0833245011268 0.0390100257068} BPADA_6FPDA_unit_2::H4 104 1 6 {} C 0.0 {0.7798758607 -0.000336915950444 0.111404923922} BPADA_6FPDA_unit_2::C10 105 1 1 {} H 0.0 {0.807181907087 -0.0317619297749 0.0695796745892} BPADA_6FPDA_unit_2::H5 106 1 6 {} C 0.0 {0.745616516393 0.0654228809999 0.0952697068842} BPADA_6FPDA_unit_2::C11 107 1 6 {} C 0.0 {0.747337327077 0.0126105691373 0.236401645025} BPADA_6FPDA_unit_2::C12 108 1 1 {} H 0.0 {0.740598381484 0.994065704039 0.291789335156} BPADA_6FPDA_unit_2::H6 109 1 6 {} C 0.0 {0.717312942758 0.0799173016989 0.219455885047} BPADA_6FPDA_unit_2::C13 110 1 1 {} H 0.0 {0.690908193011 0.107236014807 0.264371011975} BPADA_6FPDA_unit_2::H7 111 1 6 {} C 0.0 {0.713985864047 0.108685527498 0.148831607353} BPADA_6FPDA_unit_2::C14 112 1 6 {} C 0.0 {0.659988393465 0.171016520597 0.133030949616} BPADA_6FPDA_unit_2::C15 113 1 6 {} C 0.0 {0.662408263731 0.233331688687 0.189456905461} BPADA_6FPDA_unit_2::C16 114 1 1 {} H 0.0 {0.611051056979 0.265390027075 0.365046028003} BPADA_6FPDA_unit_2::H8 115 1 6 {} C 0.0 {0.630035506222 0.223501439965 0.257852701375} BPADA_6FPDA_unit_2::C17 116 1 1 {} H 0.0 {0.604256677664 0.171903523209 0.27196215555} BPADA_6FPDA_unit_2::H9 117 1 6 {} C 0.0 {0.63077114048 0.277680373935 0.311156266428} BPADA_6FPDA_unit_2::C18 118 1 6 {} C 0.0 {0.689514033056 0.303333515049 0.173106757083} BPADA_6FPDA_unit_2::C19 119 1 1 {} H 0.0 {0.71032861901 0.318170727075 0.119355853745} BPADA_6FPDA_unit_2::H10 120 1 6 {} C 0.0 {0.684918360333 0.359344517512 0.224164238508} BPADA_6FPDA_unit_2::C20 121 1 1 {} H 0.0 {0.698951822003 0.414584338742 0.209548980892} BPADA_6FPDA_unit_2::H11 122 1 6 {} C 0.0 {0.65785522287 0.345979380436 0.294212147573} BPADA_6FPDA_unit_2::C21 123 1 8 {} O 0.0 {0.658565351239 0.40186139418 0.34750906496} BPADA_6FPDA_unit_2::O4 124 1 6 {} C 0.0 {0.591813697351 0.431127042889 0.365315846599} BPADA_6FPDA_unit_2::C22 125 1 1 {} H 0.0 {0.408692769736 0.393014200668 0.363090683879} BPADA_6FPDA_unit_2::H12 126 1 6 {} C 0.0 {0.526821362351 0.390364417192 0.366101821786} BPADA_6FPDA_unit_2::C23 127 1 1 {} H 0.0 {0.528746608084 0.331484843799 0.359985866051} BPADA_6FPDA_unit_2::H13 128 1 6 {} C 0.0 {0.459002169663 0.42499385605 0.367619289318} BPADA_6FPDA_unit_2::C24 129 1 6 {} C 0.0 {0.591214399431 0.50670354778 0.376651864364} BPADA_6FPDA_unit_2::C25 130 1 1 {} H 0.0 {0.64241277465 0.537273552405 0.378314907425} BPADA_6FPDA_unit_2::H14 131 1 6 {} C 0.0 {0.523265537143 0.540163271445 0.376382165933} BPADA_6FPDA_unit_2::C26 132 1 6 {} C 0.0 {0.458173424611 0.501100595444 0.369428204194} BPADA_6FPDA_unit_2::C27 133 1 6 {} C 0.0 {0.587121107485 0.12726403172 0.136304948369} BPADA_6FPDA_unit_2::C28 134 1 6 {} C 0.0 {0.660325654522 0.204479659953 0.0578337961096} BPADA_6FPDA_unit_2::C29 135 1 6 {} C 0.0 {0.506580847649 0.619140941125 0.370913894961} BPADA_6FPDA_unit_2::C30 136 1 6 {} C 0.0 {0.398466796933 0.553087566605 0.355526817792} BPADA_6FPDA_unit_2::C31 137 1 7 {} N 0.0 {0.431570330438 0.624943550835 0.353552679208} BPADA_6FPDA_unit_2::N2 138 1 1 {} H 0.0 {0.593230945495 0.0797226531906 0.100257818214} BPADA_6FPDA_unit_2::H15 139 1 1 {} H 0.0 {0.540192853064 0.15924968811 0.11925086582} BPADA_6FPDA_unit_2::H16 140 1 1 {} H 0.0 {0.581237885297 0.106152284244 0.190759211088} BPADA_6FPDA_unit_2::H17 141 1 1 {} H 0.0 {0.702514321524 0.24404769469 0.0452256874455} BPADA_6FPDA_unit_2::H18 142 1 1 {} H 0.0 {0.606645188564 0.229047904826 0.0503911070007} BPADA_6FPDA_unit_2::H19 143 1 1 {} H 0.0 {0.664388750028 0.159726154303 0.0199966088444} BPADA_6FPDA_unit_2::H20 144 1 8 {} O 0.0 {0.333954179981 0.539341348019 0.344664242409} BPADA_6FPDA_unit_2::O5 145 1 8 {} O 0.0 {0.550047034387 0.669841565513 0.378308872994} BPADA_6FPDA_unit_2::O6 146 1 6 {} C 0.0 {0.39674596842 0.689818115731 0.330084784678} BPADA_6FPDA_unit_2::C32 147 1 1 {} H 0.0 {0.428981106302 0.864305259308 0.273561361108} BPADA_6FPDA_unit_2::H21 148 1 6 {} C 0.0 {0.433817208655 0.755127019997 0.31274534494} BPADA_6FPDA_unit_2::C33 149 1 1 {} H 0.0 {0.492191618758 0.75973492026 0.320761352494} BPADA_6FPDA_unit_2::H22 150 1 6 {} C 0.0 {0.396681690597 0.816413772265 0.286259223865} BPADA_6FPDA_unit_2::C34 151 1 6 {} C 0.0 {0.320980455043 0.690603558675 0.322369011757} BPADA_6FPDA_unit_2::C35 152 1 1 {} H 0.0 {0.288368119177 0.642864733539 0.335448956099} BPADA_6FPDA_unit_2::H23 153 1 6 {} C 0.0 {0.285822251927 0.752877645293 0.298151838754} BPADA_6FPDA_unit_2::C36 154 1 1 {} H 0.0 {0.227630802609 0.747837426661 0.295749873239} BPADA_6FPDA_unit_2::H24 155 1 6 {} C 0.0 {0.320837263782 0.817293633652 0.278775319602} BPADA_6FPDA_unit_2::C37 156 1 6 {} C 0.0 {0.275730796481 0.884820339757 0.256268427864} BPADA_6FPDA_unit_2::C38 157 1 6 {} C 0.0 {0.272651276585 0.943612564301 0.315155014313} BPADA_6FPDA_unit_2::C39 158 1 1 {} H 0.0 {0.173391989369 0.0882351580242 0.377031492993} BPADA_6FPDA_unit_2::H25 159 1 6 {} C 0.0 {0.216221673224 -0.00504818595163 0.32065406143} BPADA_6FPDA_unit_2::C40 160 1 1 {} H 0.0 {0.167796453366 -0.00718207109029 0.286492244055} BPADA_6FPDA_unit_2::H26 161 1 6 {} C 0.0 {0.21951144018 0.0511329620904 0.371631049662} BPADA_6FPDA_unit_2::C41 162 1 6 {} C 0.0 {0.331506471653 0.949364256929 0.362874610867} BPADA_6FPDA_unit_2::C42 163 1 1 {} H 0.0 {0.374741643845 0.908694027921 0.363061391413} BPADA_6FPDA_unit_2::H27 164 1 6 {} C 0.0 {0.336933271781 0.00588070769049 0.412203723825} BPADA_6FPDA_unit_2::C43 165 1 1 {} H 0.0 {0.38333643457 0.00835903633555 0.449026905539} BPADA_6FPDA_unit_2::H28 166 1 6 {} C 0.0 {0.280956744765 0.0578550078734 0.416555926397} BPADA_6FPDA_unit_2::C44 167 1 6 {} C 0.0 {0.305850904584 0.920234871994 0.187013953013} BPADA_6FPDA_unit_2::C45 168 1 6 {} C 0.0 {0.198379597951 0.86006558637 0.236275396863} BPADA_6FPDA_unit_2::C46 169 1 9 {} F 0.0 {0.152475609887 0.909380779955 0.206343802097} BPADA_6FPDA_unit_2::F1 170 1 9 {} F 0.0 {0.200908265157 0.803486655389 0.187269343771} BPADA_6FPDA_unit_2::F2 171 1 9 {} F 0.0 {0.165999078694 0.839354741999 0.30020741895} BPADA_6FPDA_unit_2::F3 172 1 9 {} F 0.0 {0.316812074835 0.870765610682 0.133132057058} BPADA_6FPDA_unit_2::F4 173 1 9 {} F 0.0 {0.259135534982 -0.0284842537759 0.161407729856} BPADA_6FPDA_unit_2::F5 174 1 9 {} F 0.0 {0.371235502659 0.952001684465 0.199041577691} BPADA_6FPDA_unit_2::F6 175 1 7 {} N 0.0 {0.77500973545 0.75247870633 0.473704353214} BPADA_6FPDA_unit_2::N3 176 1 6 {} C 0.0 {0.30328548249 0.150709394415 0.58682756373} BPADA_6FPDA_unit_3::C1 177 1 1 {} H 0.0 {0.155655998971 0.263767547059 0.58947798913} BPADA_6FPDA_unit_3::H1 178 1 6 {} C 0.0 {0.244824971175 0.19046940729 0.560311430289} BPADA_6FPDA_unit_3::C2 179 1 6 {} C 0.0 {0.200313151249 0.229261878753 0.607955934436} BPADA_6FPDA_unit_3::C3 180 1 6 {} C 0.0 {0.318068974723 0.13956134566 0.659204600198} BPADA_6FPDA_unit_3::C4 181 1 1 {} H 0.0 {0.362470551573 0.104414154343 0.676242565096} BPADA_6FPDA_unit_3::H2 182 1 6 {} C 0.0 {0.26456213224 0.16658421547 0.705933775844} BPADA_6FPDA_unit_3::C5 183 1 6 {} C 0.0 {0.21050309527 0.215949200119 0.682050850598} BPADA_6FPDA_unit_3::C6 184 1 1 {} H 0.0 {0.173635026488 0.240232347888 0.72127177272} BPADA_6FPDA_unit_3::H3 185 1 6 {} C 0.0 {0.23513658214 0.170099271875 0.483138211975} BPADA_6FPDA_unit_3::C7 186 1 6 {} C 0.0 {0.335862191845 0.107426012469 0.529232251777} BPADA_6FPDA_unit_3::C8 187 1 8 {} O 0.0 {0.193242569407 0.19517252273 0.437046345563} BPADA_6FPDA_unit_3::O1 188 1 8 {} O 0.0 {0.39356606654 0.0736987962735 0.5327912109} BPADA_6FPDA_unit_3::O2 189 1 8 {} O 0.0 {0.259611450912 0.138549916219 0.775717925007} BPADA_6FPDA_unit_3::O3 190 1 6 {} C 0.0 {0.310183352499 0.0835805209353 0.792369576169} BPADA_6FPDA_unit_3::C9 191 1 1 {} H 0.0 {0.479805717797 0.0692920462082 0.858908515528} BPADA_6FPDA_unit_3::H4 192 1 6 {} C 0.0 {0.377568601029 0.106419078358 0.817302632535} BPADA_6FPDA_unit_3::C10 193 1 1 {} H 0.0 {0.390313396945 0.164177647684 0.82223995535} BPADA_6FPDA_unit_3::H5 194 1 6 {} C 0.0 {0.427903518671 0.0535063648267 0.835225634355} BPADA_6FPDA_unit_3::C11 195 1 6 {} C 0.0 {0.292434292689 0.00998116063532 0.785552842144} BPADA_6FPDA_unit_3::C12 196 1 1 {} H 0.0 {0.238058507097 -0.00857529884137 0.771953266039} BPADA_6FPDA_unit_3::H6 197 1 6 {} C 0.0 {0.346697224541 0.958093258987 0.796789841932} BPADA_6FPDA_unit_3::C13 198 1 1 {} H 0.0 {0.333459177836 0.900569250958 0.788674768021} BPADA_6FPDA_unit_3::H7 199 1 6 {} C 0.0 {0.415876282157 -0.020000374997 0.819155039185} BPADA_6FPDA_unit_3::C14 200 1 6 {} C 0.0 {0.478568102115 0.927817418571 0.829968812407} BPADA_6FPDA_unit_3::C15 201 1 6 {} C 0.0 {0.549416843857 0.960208794701 0.793022198131} BPADA_6FPDA_unit_3::C16 202 1 1 {} H 0.0 {0.608600449122 0.114038903154 0.702519258731} BPADA_6FPDA_unit_3::H8 203 1 6 {} C 0.0 {0.549390727263 0.0252541148211 0.751519588411} BPADA_6FPDA_unit_3::C17 204 1 1 {} H 0.0 {0.49870453768 0.051881599258 0.736549355709} BPADA_6FPDA_unit_3::H9 205 1 6 {} C 0.0 {0.612927271899 0.0607961588738 0.729052257271} BPADA_6FPDA_unit_3::C18 206 1 6 {} C 0.0 {0.617790219834 0.925442309819 0.794168480477} BPADA_6FPDA_unit_3::C19 207 1 1 {} H 0.0 {0.622538266453 0.870511404704 0.81681502527} BPADA_6FPDA_unit_3::H10 208 1 6 {} C 0.0 {0.682480247245 0.958134237983 0.768142792984} BPADA_6FPDA_unit_3::C20 209 1 1 {} H 0.0 {0.732672952978 0.926294912647 0.77000476927} BPADA_6FPDA_unit_3::H11 210 1 6 {} C 0.0 {0.681507945788 0.0301418069036 0.742154714237} BPADA_6FPDA_unit_3::C21 211 1 8 {} O 0.0 {0.74206825074 0.0736281772778 0.720377767622} BPADA_6FPDA_unit_3::O4 212 1 6 {} C 0.0 {0.800816088334 0.0938510921544 0.763761106801} BPADA_6FPDA_unit_3::C22 213 1 1 {} H 0.0 {0.893873446601 0.0373182186084 0.915614470197} BPADA_6FPDA_unit_3::H12 214 1 6 {} C 0.0 {0.822607597491 0.0500447888099 0.821769290138} BPADA_6FPDA_unit_3::C23 215 1 1 {} H 0.0 {0.795492035564 0.998104004695 0.828905177045} BPADA_6FPDA_unit_3::H13 216 1 6 {} C 0.0 {0.879456408666 0.0695889831086 0.867725539068} BPADA_6FPDA_unit_3::C24 217 1 6 {} C 0.0 {0.8416134403 0.158482636663 0.748557026104} BPADA_6FPDA_unit_3::C25 218 1 1 {} H 0.0 {0.827128595681 0.192754311927 0.702251310569} BPADA_6FPDA_unit_3::H14 219 1 6 {} C 0.0 {0.902641333557 0.175322200376 0.791937442133} BPADA_6FPDA_unit_3::C26 220 1 6 {} C 0.0 {0.923450930021 0.128033440154 0.84792729961} BPADA_6FPDA_unit_3::C27 221 1 6 {} C 0.0 {0.461393883263 0.854583753517 0.79662100311} BPADA_6FPDA_unit_3::C28 222 1 6 {} C 0.0 {0.474847156387 0.911277837866 0.913311744693} BPADA_6FPDA_unit_3::C29 223 1 6 {} C 0.0 {0.961803434985 0.231888184092 0.785681853891} BPADA_6FPDA_unit_3::C30 224 1 6 {} C 0.0 {0.00231406632383 0.136258128442 0.854435579341} BPADA_6FPDA_unit_3::C31 225 1 7 {} N 0.0 {0.0207939136563 0.208046163531 0.833393583725} BPADA_6FPDA_unit_3::N2 226 1 1 {} H 0.0 {0.414674595027 0.828899368703 0.824382233013} BPADA_6FPDA_unit_3::H15 227 1 1 {} H 0.0 {0.507755138699 0.818521992035 0.806351547903} BPADA_6FPDA_unit_3::H16 228 1 1 {} H 0.0 {0.449202707995 0.858149295068 0.738514512955} BPADA_6FPDA_unit_3::H17 229 1 1 {} H 0.0 {0.466584941521 0.960596170972 0.945948742009} BPADA_6FPDA_unit_3::H18 230 1 1 {} H 0.0 {0.520117604367 0.877600240702 0.933626599553} BPADA_6FPDA_unit_3::H19 231 1 1 {} H 0.0 {0.424433313011 0.879443134945 0.920749588335} BPADA_6FPDA_unit_3::H20 232 1 8 {} O 0.0 {-0.0146022820709 -0.00903590032508 0.964081782172} BPADA_6FPDA_unit_3::O5 233 1 8 {} O 0.0 {0.966556384892 0.286852003903 0.748685167586} BPADA_6FPDA_unit_3::O6 234 1 6 {} C 0.0 {0.0845342761235 0.251780483653 0.851592629834} BPADA_6FPDA_unit_3::C32 235 1 1 {} H 0.0 {0.269072891448 0.244740003624 0.838204799227} BPADA_6FPDA_unit_3::H21 236 1 6 {} C 0.0 {0.155442582222 0.22820256823 0.839324848926} BPADA_6FPDA_unit_3::C33 237 1 1 {} H 0.0 {0.165920290231 0.176517485204 0.813289204175} BPADA_6FPDA_unit_3::H22 238 1 6 {} C 0.0 {0.217631900858 0.269172448669 0.854835266618} BPADA_6FPDA_unit_3::C34 239 1 6 {} C 0.0 {0.0794343616574 0.321398131738 0.882228186162} BPADA_6FPDA_unit_3::C35 240 1 1 {} H 0.0 {0.0273527485212 0.346697958733 0.892609749817} BPADA_6FPDA_unit_3::H23 241 1 6 {} C 0.0 {0.14211390357 0.362101730057 0.899920031936} BPADA_6FPDA_unit_3::C36 242 1 1 {} H 0.0 {0.131894990113 0.415303086756 0.923701434728} BPADA_6FPDA_unit_3::H24 243 1 6 {} C 0.0 {0.214799328171 0.337557741584 0.888799350555} BPADA_6FPDA_unit_3::C37 244 1 6 {} C 0.0 {0.289741380695 0.382258463051 0.899241586627} BPADA_6FPDA_unit_3::C38 245 1 6 {} C 0.0 {0.360830780442 0.333732916929 0.917049475012} BPADA_6FPDA_unit_3::C39 246 1 1 {} H 0.0 {0.547783232345 0.339531357215 0.943294903835} BPADA_6FPDA_unit_3::H25 247 1 6 {} C 0.0 {0.432120706749 0.360835558628 0.929652975544} BPADA_6FPDA_unit_3::C40 248 1 1 {} H 0.0 {0.442956671713 0.419212748372 0.931533466586} BPADA_6FPDA_unit_3::H26 249 1 6 {} C 0.0 {0.493785210061 0.314799382077 0.938515579353} BPADA_6FPDA_unit_3::C41 250 1 6 {} C 0.0 {0.355733712613 0.258322941786 0.92784817362} BPADA_6FPDA_unit_3::C42 251 1 1 {} H 0.0 {0.30418686664 0.230322126173 0.931975597918} BPADA_6FPDA_unit_3::H27 252 1 6 {} C 0.0 {0.414655709331 0.212540977029 0.938256766924} BPADA_6FPDA_unit_3::C43 253 1 1 {} H 0.0 {0.402674377006 0.155398900538 0.946498092483} BPADA_6FPDA_unit_3::H28 254 1 6 {} C 0.0 {0.486440857505 0.238409753973 0.937585312244} BPADA_6FPDA_unit_3::C44 255 1 6 {} C 0.0 {0.294484689252 0.421732542975 0.823005510674} BPADA_6FPDA_unit_3::C45 256 1 6 {} C 0.0 {0.287725382845 0.447930265909 -0.0424641822588} BPADA_6FPDA_unit_3::C46 257 1 9 {} F 0.0 {0.219653904412 0.461702318124 0.983823798467} BPADA_6FPDA_unit_3::F1 258 1 9 {} F 0.0 {0.331533654017 0.43644974373 0.0161604439546} BPADA_6FPDA_unit_3::F2 259 1 9 {} F 0.0 {0.312416186294 0.512590620667 -0.070765564771} BPADA_6FPDA_unit_3::F3 260 1 9 {} F 0.0 {0.242525859914 0.474799651695 0.817916946237} BPADA_6FPDA_unit_3::F4 261 1 9 {} F 0.0 {0.359864948018 0.452958472441 0.810204099881} BPADA_6FPDA_unit_3::F5 262 1 9 {} F 0.0 {0.281195432038 0.375103337982 0.766083972321} BPADA_6FPDA_unit_3::F6 263 1 7 {} N 0.0 {0.285285363502 0.110911259855 0.471122792438} BPADA_6FPDA_unit_3::N3 264 1 6 {} C 0.0 {0.647492704139 0.10798484957 0.920849639671} BPADA_6FPDA_unit_4::C1 265 1 1 {} H 0.0 {0.552537514151 0.965624076419 0.992246240343} BPADA_6FPDA_unit_4::H1 266 1 6 {} C 0.0 {0.590155357852 0.0667517309842 0.948751767276} BPADA_6FPDA_unit_4::C2 267 1 6 {} C 0.0 {0.597074388346 0.994216348817 0.966980655869} BPADA_6FPDA_unit_4::C3 268 1 6 {} C 0.0 {0.717373634928 0.076948558983 0.921812499912} BPADA_6FPDA_unit_4::C4 269 1 1 {} H 0.0 {0.765339312514 0.11103456685 0.914576892104} BPADA_6FPDA_unit_4::H2 270 1 6 {} C 0.0 {0.723813367768 0.000482889472634 0.9383520986} BPADA_6FPDA_unit_4::C5 271 1 6 {} C 0.0 {0.661465076525 0.959017980933 0.951009549486} BPADA_6FPDA_unit_4::C6 272 1 1 {} H 0.0 {0.665212327038 0.900135784601 0.95268848497} BPADA_6FPDA_unit_4::H3 273 1 6 {} C 0.0 {0.528541777473 0.113002661614 0.966503903741} BPADA_6FPDA_unit_4::C7 274 1 6 {} C 0.0 {0.618221861759 0.185374312992 0.911953757496} BPADA_6FPDA_unit_4::C8 275 1 8 {} O 0.0 {0.475952859278 0.0947510894667 0.00423517582702} BPADA_6FPDA_unit_4::O1 276 1 8 {} O 0.0 {0.649897422797 0.240317061735 0.891848470611} BPADA_6FPDA_unit_4::O2 277 1 8 {} O 0.0 {0.791065487869 -0.0324972916498 0.94335220342} BPADA_6FPDA_unit_4::O3 278 1 6 {} C 0.0 {0.805179968569 0.897663091317 -0.0250195400396} BPADA_6FPDA_unit_4::C9 279 1 1 {} H 0.0 {0.745885534257 0.76612268056 0.090106870241} BPADA_6FPDA_unit_4::H4 280 1 6 {} C 0.0 {0.759473806293 0.858495173668 0.0221263060374} BPADA_6FPDA_unit_4::C10 281 1 1 {} H 0.0 {0.706580739442 0.878408381878 0.0397790327864} BPADA_6FPDA_unit_4::H5 282 1 6 {} C 0.0 {0.784232756959 0.79389820617 0.0541773572364} BPADA_6FPDA_unit_4::C11 283 1 6 {} C 0.0 {0.87632703412 0.872516848793 0.964065817617} BPADA_6FPDA_unit_4::C12 284 1 1 {} H 0.0 {0.916206942853 0.906587295883 0.935869880405} BPADA_6FPDA_unit_4::H6 285 1 6 {} C 0.0 {0.90013445558 0.808660893206 -0.0021367759657} BPADA_6FPDA_unit_4::C13 286 1 1 {} H 0.0 {0.956266318501 0.790914741487 -0.0115250351418} BPADA_6FPDA_unit_4::H7 287 1 6 {} C 0.0 {0.855017672955 0.767297986211 0.0434664864085} BPADA_6FPDA_unit_4::C14 288 1 6 {} C 0.0 {0.883297938115 0.697357434718 0.0802428724221} BPADA_6FPDA_unit_4::C15 289 1 6 {} C 0.0 {0.919994184517 0.64778818193 0.024414604782} BPADA_6FPDA_unit_4::C16 290 1 1 {} H 0.0 {0.0798039623286 0.562031116383 0.977892284806} BPADA_6FPDA_unit_4::H8 291 1 6 {} C 0.0 {0.99391925196 0.628405065813 0.0257914409167} BPADA_6FPDA_unit_4::C17 292 1 1 {} H 0.0 {0.031649037239 0.651443384797 0.0654125734688} BPADA_6FPDA_unit_4::H9 293 1 6 {} C 0.0 {0.0219312871443 0.575540730514 0.978689138535} BPADA_6FPDA_unit_4::C18 294 1 6 {} C 0.0 {0.875308333937 0.616116775561 0.972035767281} BPADA_6FPDA_unit_4::C19 295 1 1 {} H 0.0 {0.818345269191 0.632160426032 0.968041411716} BPADA_6FPDA_unit_4::H10 296 1 6 {} C 0.0 {0.901769965967 0.562841418867 0.926261761483} BPADA_6FPDA_unit_4::C20 297 1 1 {} H 0.0 {0.86526296879 0.538992018861 0.88659786248} BPADA_6FPDA_unit_4::H11 298 1 6 {} C 0.0 {0.974349213802 0.540697940166 0.931869432409} BPADA_6FPDA_unit_4::C21 299 1 8 {} O 0.0 {0.00187403981283 0.484002242107 0.888584056002} BPADA_6FPDA_unit_4::O4 300 1 6 {} C 0.0 {0.946495589768 0.445734919721 0.854967514535} BPADA_6FPDA_unit_4::C22 301 1 1 {} H 0.0 {0.783739012443 0.363152714829 0.897399150125} BPADA_6FPDA_unit_4::H12 302 1 6 {} C 0.0 {0.890031659145 0.416722033525 0.898251852169} BPADA_6FPDA_unit_4::C23 303 1 1 {} H 0.0 {0.893361801062 0.421288163887 0.957321553183} BPADA_6FPDA_unit_4::H13 304 1 6 {} C 0.0 {0.828853939552 0.386365840528 0.86611587508} BPADA_6FPDA_unit_4::C24 305 1 6 {} C 0.0 {0.946930650607 0.441945596271 0.779038360041} BPADA_6FPDA_unit_4::C25 306 1 1 {} H 0.0 {0.993599251539 0.461067261342 0.747471760212} BPADA_6FPDA_unit_4::H14 307 1 6 {} C 0.0 {0.885505415471 0.410967439161 0.747967204897} BPADA_6FPDA_unit_4::C26 308 1 6 {} C 0.0 {0.828523002368 0.385223718773 0.790680346198} BPADA_6FPDA_unit_4::C27 309 1 6 {} C 0.0 {0.820570468718 0.653925743759 0.114641578305} BPADA_6FPDA_unit_4::C28 310 1 6 {} C 0.0 {0.940962756504 0.711687423845 0.138391560687} BPADA_6FPDA_unit_4::C29 311 1 6 {} C 0.0 {0.869156365818 0.393504562356 0.67059417547} BPADA_6FPDA_unit_4::C30 312 1 6 {} C 0.0 {0.775847514236 0.348061389392 0.744802166605} BPADA_6FPDA_unit_4::C31 313 1 7 {} N 0.0 {0.801701233577 0.353402543145 0.672129959035} BPADA_6FPDA_unit_4::N2 314 1 1 {} H 0.0 {0.793134532527 0.68302009591 0.159062665762} BPADA_6FPDA_unit_4::H15 315 1 1 {} H 0.0 {0.843347337149 0.603606721628 0.137271287331} BPADA_6FPDA_unit_4::H16 316 1 1 {} H 0.0 {0.77829638345 0.639476206801 0.0746580914783} BPADA_6FPDA_unit_4::H17 317 1 1 {} H 0.0 {0.990498948088 0.732146233189 0.112303317571} BPADA_6FPDA_unit_4::H18 318 1 1 {} H 0.0 {0.954364653865 0.660681852004 0.167517946647} BPADA_6FPDA_unit_4::H19 319 1 1 {} H 0.0 {0.925272078547 0.751534150146 0.179162676388} BPADA_6FPDA_unit_4::H20 320 1 8 {} O 0.0 {0.722472523034 0.315206096491 0.76684517823} BPADA_6FPDA_unit_4::O5 321 1 8 {} O 0.0 {0.90454521756 0.408278988582 0.616402044845} BPADA_6FPDA_unit_4::O6 322 1 6 {} C 0.0 {0.782621613513 0.301236395114 0.618595209007} BPADA_6FPDA_unit_4::C32 323 1 1 {} H 0.0 {0.819919303397 0.247377091703 0.447592308616} BPADA_6FPDA_unit_4::H21 324 1 6 {} C 0.0 {0.808673141825 0.304292498049 0.547003827484} BPADA_6FPDA_unit_4::C33 325 1 1 {} H 0.0 {0.839625210433 0.351054494529 0.527122000758} BPADA_6FPDA_unit_4::H22 326 1 6 {} C 0.0 {0.800684435496 0.243221806124 0.503095415507} BPADA_6FPDA_unit_4::C34 327 1 6 {} C 0.0 {0.745423715333 0.23914200221 0.641884441277} BPADA_6FPDA_unit_4::C35 328 1 1 {} H 0.0 {0.726887523724 0.233836302903 0.697600151712} BPADA_6FPDA_unit_4::H23 329 1 6 {} C 0.0 {0.737978055546 0.179148702999 0.597661815967} BPADA_6FPDA_unit_4::C36 330 1 1 {} H 0.0 {0.710777695824 0.131995525453 0.620320814405} BPADA_6FPDA_unit_4::H24 331 1 6 {} C 0.0 {0.767355972021 0.179159191314 0.528472756738} BPADA_6FPDA_unit_4::C37 332 1 6 {} C 0.0 {0.751007221022 0.116711138442 0.477122904678} BPADA_6FPDA_unit_4::C38 333 1 6 {} C 0.0 {0.816136541909 0.0753087376783 0.447729929665} BPADA_6FPDA_unit_4::C39 334 1 1 {} H 0.0 {0.955886318926 0.968365113573 0.509282785654} BPADA_6FPDA_unit_4::H25 335 1 6 {} C 0.0 {0.865555128138 0.0426984148215 0.495819090868} BPADA_6FPDA_unit_4::C40 336 1 1 {} H 0.0 {0.861075095141 0.0548438600603 0.553881397867} BPADA_6FPDA_unit_4::H26 337 1 6 {} C 0.0 {0.919066283951 0.995143192695 0.471058996974} BPADA_6FPDA_unit_4::C41 338 1 6 {} C 0.0 {0.825279934081 0.0649086191994 0.373186954137} BPADA_6FPDA_unit_4::C42 339 1 1 {} H 0.0 {0.792999140185 0.0918895194335 0.33181911095} BPADA_6FPDA_unit_4::H27 340 1 6 {} C 0.0 {0.878642966398 0.0188523576796 0.347643547323} BPADA_6FPDA_unit_4::C43 341 1 1 {} H 0.0 {0.885510920627 0.0115231974331 0.289346300609} BPADA_6FPDA_unit_4::H28 342 1 6 {} C 0.0 {0.923419005306 0.981036481796 0.396097009396} BPADA_6FPDA_unit_4::C44 343 1 6 {} C 0.0 {0.700257806124 0.0559191300207 0.512551501127} BPADA_6FPDA_unit_4::C45 344 1 6 {} C 0.0 {0.709898121534 0.155449353092 0.415302996301} BPADA_6FPDA_unit_4::C46 345 1 9 {} F 0.0 {0.754955668327 0.195061208833 0.370541670216} BPADA_6FPDA_unit_4::F1 346 1 9 {} F 0.0 {0.672953531101 0.108900363993 0.371746017248} BPADA_6FPDA_unit_4::F2 347 1 9 {} F 0.0 {0.661536439694 0.203190853725 0.443191494928} BPADA_6FPDA_unit_4::F3 348 1 9 {} F 0.0 {0.681182902795 0.00431449924071 0.463997451317} BPADA_6FPDA_unit_4::F4 349 1 9 {} F 0.0 {0.735016765717 0.0217356088713 0.569042597793} BPADA_6FPDA_unit_4::F5 350 1 9 {} F 0.0 {0.636296784575 0.0815456212445 0.541262646719} BPADA_6FPDA_unit_4::F6 351 1 7 {} N 0.0 {0.54286399627 0.183533530881 0.937043018588} BPADA_6FPDA_unit_4::N3 352 1 6 {} C 0.0 {0.0179526158637 0.813729168654 0.348515809513} BPADA_6FPDA_unit_5::C1 353 1 1 {} H 0.0 {0.0184427438808 0.837814842409 0.163526905748} BPADA_6FPDA_unit_5::H1 354 1 6 {} C 0.0 {0.00590764576632 0.844218427086 0.280021802475} BPADA_6FPDA_unit_5::C2 355 1 6 {} C 0.0 {0.029031879988 0.811561939286 0.216084660712} BPADA_6FPDA_unit_5::C3 356 1 6 {} C 0.0 {0.0605331490105 0.752581265581 0.357701362765} BPADA_6FPDA_unit_5::C4 357 1 1 {} H 0.0 {0.0777147625785 0.733510338618 0.411163277429} BPADA_6FPDA_unit_5::H2 358 1 6 {} C 0.0 {0.0907871337658 0.725032572518 0.293887169354} BPADA_6FPDA_unit_5::C5 359 1 6 {} C 0.0 {0.0701190344157 0.748270594625 0.223833101256} BPADA_6FPDA_unit_5::C6 360 1 1 {} H 0.0 {0.0924411594866 0.721153913422 0.175941487194} BPADA_6FPDA_unit_5::H3 361 1 6 {} C 0.0 {0.978879420603 0.918104763986 0.289155378103} BPADA_6FPDA_unit_5::C7 362 1 6 {} C 0.0 {0.993176317128 0.865390871474 0.404774803498} BPADA_6FPDA_unit_5::C8 363 1 8 {} O 0.0 {0.970332995013 0.964400879609 0.241703566624} BPADA_6FPDA_unit_5::O1 364 1 8 {} O 0.0 {0.994573587199 0.857405473523 0.471382320665} BPADA_6FPDA_unit_5::O2 365 1 8 {} O 0.0 {0.152556200353 0.682226539905 0.3036401299} BPADA_6FPDA_unit_5::O3 366 1 6 {} C 0.0 {0.14089396429 0.615232257729 0.270442125742} BPADA_6FPDA_unit_5::C9 367 1 1 {} H 0.0 {0.024190673518 0.483050624893 0.314493130261} BPADA_6FPDA_unit_5::H4 368 1 6 {} C 0.0 {0.101200657986 0.567942437166 0.313935040359} BPADA_6FPDA_unit_5::C10 369 1 1 {} H 0.0 {0.0993919090991 0.578323164036 0.372513914235} BPADA_6FPDA_unit_5::H5 370 1 6 {} C 0.0 {0.0591087879242 0.516126362709 0.279872959277} BPADA_6FPDA_unit_5::C11 371 1 6 {} C 0.0 {0.152327188454 0.60493402633 0.196338196275} BPADA_6FPDA_unit_5::C12 372 1 1 {} H 0.0 {0.187099878988 0.641367709832 0.164482060488} BPADA_6FPDA_unit_5::H6 373 1 6 {} C 0.0 {0.110901109303 0.550746239335 0.163140896671} BPADA_6FPDA_unit_5::C13 374 1 1 {} H 0.0 {0.116421897352 0.543391275355 0.104496555091} BPADA_6FPDA_unit_5::H7 375 1 6 {} C 0.0 {0.0603491755278 0.509726758375 0.203430352471} BPADA_6FPDA_unit_5::C14 376 1 6 {} C 0.0 {0.0129111945215 0.452490340421 0.166579296107} BPADA_6FPDA_unit_5::C15 377 1 6 {} C 0.0 {0.931342816071 0.471202603296 0.158587931274} BPADA_6FPDA_unit_5::C16 378 1 1 {} H 0.0 {0.780340302215 0.484594113629 0.262821192485} BPADA_6FPDA_unit_5::H8 379 1 6 {} C 0.0 {0.885525732981 0.477939885243 0.219265945753} BPADA_6FPDA_unit_5::C17 380 1 1 {} H 0.0 {0.907144376705 0.475415705824 0.274804141775} BPADA_6FPDA_unit_5::H9 381 1 6 {} C 0.0 {0.810267739404 0.486027459971 0.212012805577} BPADA_6FPDA_unit_5::C18 382 1 6 {} C 0.0 {0.896783315191 0.471043205951 0.0904282614407} BPADA_6FPDA_unit_5::C19 383 1 1 {} H 0.0 {0.930442837011 0.465975483384 0.0419326228693} BPADA_6FPDA_unit_5::H10 384 1 6 {} C 0.0 {0.821904619798 0.481514077793 0.0818331355388} BPADA_6FPDA_unit_5::C20 385 1 1 {} H 0.0 {0.79824759046 0.486711299398 0.0274844439959} BPADA_6FPDA_unit_5::H11 386 1 6 {} C 0.0 {0.7778835704 0.492916439979 0.142587659441} BPADA_6FPDA_unit_5::C21 387 1 8 {} O 0.0 {0.704795022272 0.513545559141 0.126588929886} BPADA_6FPDA_unit_5::O4 388 1 6 {} C 0.0 {0.676310998995 0.573837656191 0.162778945844} BPADA_6FPDA_unit_5::C22 389 1 1 {} H 0.0 {0.68893009777 0.651081158043 0.33195903072} BPADA_6FPDA_unit_5::H12 390 1 6 {} C 0.0 {0.688180994756 0.579713390949 0.23813107713} BPADA_6FPDA_unit_5::C23 391 1 1 {} H 0.0 {0.709724892858 0.534449829684 0.268476244726} BPADA_6FPDA_unit_5::H13 392 1 6 {} C 0.0 {0.67648930456 0.644124662472 0.274527744724} BPADA_6FPDA_unit_5::C24 393 1 6 {} C 0.0 {0.638911574062 0.628842611012 0.123630634299} BPADA_6FPDA_unit_5::C25 394 1 1 {} H 0.0 {0.626744413534 0.621948772074 0.0656825563585} BPADA_6FPDA_unit_5::H14 395 1 6 {} C 0.0 {0.622442778662 0.693216096588 0.162329594942} BPADA_6FPDA_unit_5::C26 396 1 6 {} C 0.0 {0.645664876983 0.699583586356 0.234518600911} BPADA_6FPDA_unit_5::C27 397 1 6 {} C 0.0 {0.0160126411413 0.385950355808 0.217324669206} BPADA_6FPDA_unit_5::C28 398 1 6 {} C 0.0 {0.0461023879903 0.43673712178 0.0916738210307} BPADA_6FPDA_unit_5::C29 399 1 6 {} C 0.0 {0.583972778908 0.764347491056 0.14453293009} BPADA_6FPDA_unit_5::C30 400 1 6 {} C 0.0 {0.631630234791 0.77161207432 0.262772157492} BPADA_6FPDA_unit_5::C31 401 1 7 {} N 0.0 {0.590292910793 0.809105318768 0.210077114863} BPADA_6FPDA_unit_5::N2 402 1 1 {} H 0.0 {0.0715652269003 0.363415286768 0.219895094935} BPADA_6FPDA_unit_5::H15 403 1 1 {} H 0.0 {0.977553410059 0.345425076774 0.198035225093} BPADA_6FPDA_unit_5::H16 404 1 1 {} H 0.0 {-0.00102357099589 0.399505167932 0.273063771604} BPADA_6FPDA_unit_5::H17 405 1 1 {} H 0.0 {0.0438261745082 0.485374356302 0.0570303424309} BPADA_6FPDA_unit_5::H18 406 1 1 {} H 0.0 {0.0176521078385 0.393757258211 0.0620600562429} BPADA_6FPDA_unit_5::H19 407 1 1 {} H 0.0 {0.103129973719 0.420040513379 0.0983462272351} BPADA_6FPDA_unit_5::H20 408 1 8 {} O 0.0 {0.652268062421 0.795039310511 0.322202877683} BPADA_6FPDA_unit_5::O5 409 1 8 {} O 0.0 {0.552267938315 0.782071928561 0.088291252589} BPADA_6FPDA_unit_5::O6 410 1 6 {} C 0.0 {0.558293865487 0.877323843675 0.229238287432} BPADA_6FPDA_unit_5::C32 411 1 1 {} H 0.0 {0.509416691165 -0.0253066672711 0.375172330444} BPADA_6FPDA_unit_5::H21 412 1 6 {} C 0.0 {0.552363900168 0.896643191031 0.300874861281} BPADA_6FPDA_unit_5::C33 413 1 1 {} H 0.0 {0.566480923652 0.860557961743 0.345793470658} BPADA_6FPDA_unit_5::H22 414 1 6 {} C 0.0 {0.533737407339 0.972627650979 0.320413905504} BPADA_6FPDA_unit_5::C34 415 1 6 {} C 0.0 {0.534309842144 0.928693013476 0.174498445062} BPADA_6FPDA_unit_5::C35 416 1 1 {} H 0.0 {0.533748144172 0.91062807142 0.117956074491} BPADA_6FPDA_unit_5::H23 417 1 6 {} C 0.0 {0.501936030074 0.993563961451 0.192045538899} BPADA_6FPDA_unit_5::C36 418 1 1 {} H 0.0 {0.48182749919 0.0259540617377 0.147100900371} BPADA_6FPDA_unit_5::H24 419 1 6 {} C 0.0 {0.494064366664 0.0186983130788 0.266712297968} BPADA_6FPDA_unit_5::C37 420 1 6 {} C 0.0 {0.458202141262 0.0808480564785 0.291237908368} BPADA_6FPDA_unit_5::C38 421 1 6 {} C 0.0 {0.454750818068 0.118107562051 0.362038432373} BPADA_6FPDA_unit_5::C39 422 1 1 {} H 0.0 {0.355260412007 0.248620302159 0.455695763028} BPADA_6FPDA_unit_5::H25 423 1 6 {} C 0.0 {0.397464603174 0.166621598171 0.382256867817} BPADA_6FPDA_unit_5::C40 424 1 1 {} H 0.0 {0.345071868134 0.166897310358 0.354822573453} BPADA_6FPDA_unit_5::H26 425 1 6 {} C 0.0 {0.402089465829 0.21433617431 0.441087627389} BPADA_6FPDA_unit_5::C41 426 1 6 {} C 0.0 {0.514511223513 0.115994472851 0.409636287502} BPADA_6FPDA_unit_5::C42 427 1 1 {} H 0.0 {0.561061728992 0.0822607858657 0.396125514285} BPADA_6FPDA_unit_5::H27 428 1 6 {} C 0.0 {0.517200492337 0.159187504513 0.470982052721} BPADA_6FPDA_unit_5::C43 429 1 1 {} H 0.0 {0.56296002219 0.151063231517 0.507249637854} BPADA_6FPDA_unit_5::H28 430 1 6 {} C 0.0 {0.463212569534 0.211247515266 0.486360055509} BPADA_6FPDA_unit_5::C44 431 1 6 {} C 0.0 {0.500194876232 0.270265415757 0.20215959846} BPADA_6FPDA_unit_5::C45 432 1 6 {} C 0.0 {0.40813628892 0.1179345268 0.238867834188} BPADA_6FPDA_unit_5::C46 433 1 9 {} F 0.0 {0.341277903111 0.0838448170722 0.246951500477} BPADA_6FPDA_unit_5::F1 434 1 9 {} F 0.0 {0.393992953859 0.190231269231 0.251211864308} BPADA_6FPDA_unit_5::F2 435 1 9 {} F 0.0 {0.429117893278 0.116231203279 0.168248749741} BPADA_6FPDA_unit_5::F3 436 1 9 {} F 0.0 {0.513607833394 0.303146258874 0.138085083785} BPADA_6FPDA_unit_5::F4 437 1 9 {} F 0.0 {0.466010621105 0.321498552456 0.241338741886} BPADA_6FPDA_unit_5::F5 438 1 9 {} F 0.0 {0.605463469878 0.00861671180782 0.329243968564} BPADA_6FPDA_unit_5::F6 439 1 7 {} N 0.0 {0.9687804832 0.927493637706 0.366912071212} BPADA_6FPDA_unit_5::N3 440 1 6 {} C 0.0 {0.45841755803 0.284768343821 0.6721553302} BPADA_6FPDA_unit_6::C1 441 1 1 {} H 0.0 {0.639709114069 0.253320284744 0.696997265531} BPADA_6FPDA_unit_6::H1 442 1 6 {} C 0.0 {0.529565760425 0.259757999973 0.661423933012} BPADA_6FPDA_unit_6::C2 443 1 6 {} C 0.0 {0.585080664812 0.270403503451 0.711070227977} BPADA_6FPDA_unit_6::C3 444 1 6 {} C 0.0 {0.442849207702 0.328268077731 0.732486294652} BPADA_6FPDA_unit_6::C4 445 1 1 {} H 0.0 {0.390115771663 0.354111130111 0.737722978126} BPADA_6FPDA_unit_6::H2 446 1 6 {} C 0.0 {0.503029975782 0.349041288519 0.775075284582} BPADA_6FPDA_unit_6::C5 447 1 6 {} C 0.0 {0.571313019876 0.316146932575 0.769333720407} BPADA_6FPDA_unit_6::C6 448 1 1 {} H 0.0 {0.615632415553 0.334980117765 0.803970724605} BPADA_6FPDA_unit_6::H3 449 1 6 {} C 0.0 {0.541342559064 0.251880603668 0.584054480245} BPADA_6FPDA_unit_6::C7 450 1 6 {} C 0.0 {0.418751724359 0.279834616914 0.600945404939} BPADA_6FPDA_unit_6::C8 451 1 8 {} O 0.0 {0.599143418767 0.255457429553 0.550790679922} BPADA_6FPDA_unit_6::O1 452 1 8 {} O 0.0 {0.357059170291 0.300511366699 0.585503300667} BPADA_6FPDA_unit_6::O2 453 1 8 {} O 0.0 {0.502996757194 0.411059949434 0.817910503644} BPADA_6FPDA_unit_6::O3 454 1 6 {} C 0.0 {0.507148647291 0.475799188923 0.77780094571} BPADA_6FPDA_unit_6::C9 455 1 1 {} H 0.0 {0.462374191369 0.548434622962 0.61458691575} BPADA_6FPDA_unit_6::H4 456 1 6 {} C 0.0 {0.483951106257 0.479383902228 0.705391484093} BPADA_6FPDA_unit_6::C10 457 1 1 {} H 0.0 {0.464158358184 0.431658973178 0.676463332524} BPADA_6FPDA_unit_6::H5 458 1 6 {} C 0.0 {0.483646769791 0.545698189507 0.670119255629} BPADA_6FPDA_unit_6::C11 459 1 6 {} C 0.0 {0.532394734707 0.537537067652 0.814005995772} BPADA_6FPDA_unit_6::C12 460 1 1 {} H 0.0 {0.553043448706 0.533234566907 0.869704545939} BPADA_6FPDA_unit_6::H6 461 1 6 {} C 0.0 {0.53133514734 0.60426178342 0.777271386744} BPADA_6FPDA_unit_6::C13 462 1 1 {} H 0.0 {0.551372188393 0.652164229558 0.806125332106} BPADA_6FPDA_unit_6::H7 463 1 6 {} C 0.0 {0.50661876525 0.609066684989 0.705098028283} BPADA_6FPDA_unit_6::C14 464 1 6 {} C 0.0 {0.506076904881 0.678117020337 0.659346435463} BPADA_6FPDA_unit_6::C15 465 1 6 {} C 0.0 {0.434052392239 0.68401970197 0.616858839493} BPADA_6FPDA_unit_6::C16 466 1 1 {} H 0.0 {0.365608578598 0.745760386666 0.454574036055} BPADA_6FPDA_unit_6::H8 467 1 6 {} C 0.0 {0.432014755785 0.715337051955 0.547180111191} BPADA_6FPDA_unit_6::C17 468 1 1 {} H 0.0 {0.482115584821 0.735460655736 0.521819587537} BPADA_6FPDA_unit_6::H9 469 1 6 {} C 0.0 {0.366569790125 0.721441463844 0.508778561001} BPADA_6FPDA_unit_6::C18 470 1 6 {} C 0.0 {0.367548682383 0.661704097908 0.648490334579} BPADA_6FPDA_unit_6::C19 471 1 1 {} H 0.0 {0.366690685405 0.638697933627 0.703542486528} BPADA_6FPDA_unit_6::H10 472 1 6 {} C 0.0 {0.301941890676 0.666590151556 0.610257140434} BPADA_6FPDA_unit_6::C20 473 1 1 {} H 0.0 {0.250712709439 0.647902778982 0.634376895638} BPADA_6FPDA_unit_6::H11 474 1 6 {} C 0.0 {0.302540253266 0.6956339053 0.540041618992} BPADA_6FPDA_unit_6::C21 475 1 8 {} O 0.0 {0.236004759498 0.702967021584 0.502007588352} BPADA_6FPDA_unit_6::O4 476 1 6 {} C 0.0 {0.208798462313 0.771725173372 0.515915372516} BPADA_6FPDA_unit_6::C22 477 1 1 {} H 0.0 {0.239699896835 0.950581588253 0.468331964948} BPADA_6FPDA_unit_6::H12 478 1 6 {} C 0.0 {0.235513089349 0.832170849607 0.476995196853} BPADA_6FPDA_unit_6::C23 479 1 1 {} H 0.0 {0.273017201649 0.82307524228 0.43203243317} BPADA_6FPDA_unit_6::H13 480 1 6 {} C 0.0 {0.217093744472 0.903348983188 0.496323139786} BPADA_6FPDA_unit_6::C24 481 1 6 {} C 0.0 {0.157684297076 0.780156715807 0.571869896351} BPADA_6FPDA_unit_6::C25 482 1 1 {} H 0.0 {0.135140725507 0.734896903391 0.603625714813} BPADA_6FPDA_unit_6::H14 483 1 6 {} C 0.0 {0.138836951375 0.851140891706 0.588410074729} BPADA_6FPDA_unit_6::C26 484 1 6 {} C 0.0 {0.169508896794 0.912104242533 0.554366081181} BPADA_6FPDA_unit_6::C27 485 1 6 {} C 0.0 {0.574266884439 0.677058255498 0.610366075028} BPADA_6FPDA_unit_6::C28 486 1 6 {} C 0.0 {0.509175264568 0.743976798974 0.708473069577} BPADA_6FPDA_unit_6::C29 487 1 6 {} C 0.0 {0.086839197841 0.874532190662 0.643810248374} BPADA_6FPDA_unit_6::C30 488 1 6 {} C 0.0 {0.144151467818 0.978033763093 0.591476618688} BPADA_6FPDA_unit_6::C31 489 1 7 {} N 0.0 {0.0938864408556 0.953263371426 0.645560243003} BPADA_6FPDA_unit_6::N2 490 1 1 {} H 0.0 {0.621833429634 0.666425998168 0.645202395313} BPADA_6FPDA_unit_6::H15 491 1 1 {} H 0.0 {0.583272121513 0.729659037543 0.582839752241} BPADA_6FPDA_unit_6::H16 492 1 1 {} H 0.0 {0.571237917664 0.633459199116 0.569369434646} BPADA_6FPDA_unit_6::H17 493 1 1 {} H 0.0 {0.462798165166 0.741307010914 0.74616104115} BPADA_6FPDA_unit_6::H18 494 1 1 {} H 0.0 {0.505666214276 0.794422998636 0.676544579396} BPADA_6FPDA_unit_6::H19 495 1 1 {} H 0.0 {0.559848254652 0.745635345232 0.740442373809} BPADA_6FPDA_unit_6::H20 496 1 8 {} O 0.0 {0.16030199829 0.0424882831819 0.583508866806} BPADA_6FPDA_unit_6::O5 497 1 8 {} O 0.0 {0.046377724361 0.837989451798 0.681718938097} BPADA_6FPDA_unit_6::O6 498 1 6 {} C 0.0 {0.0763637835626 -0.00624008846148 0.706712813737} BPADA_6FPDA_unit_6::C32 499 1 1 {} H 0.0 {0.159339694452 0.0954282828203 0.83560818687} BPADA_6FPDA_unit_6::H21 500 1 6 {} C 0.0 {0.128726705698 0.0408075337629 0.737793306018} BPADA_6FPDA_unit_6::C33 501 1 1 {} H 0.0 {0.181437967508 0.0451409335115 0.711546874851} BPADA_6FPDA_unit_6::H22 502 1 6 {} C 0.0 {0.114837152333 0.0732694498992 0.803966779211} BPADA_6FPDA_unit_6::C34 503 1 6 {} C 0.0 {0.0126686577252 0.977144860935 0.745299757643} BPADA_6FPDA_unit_6::C35 504 1 1 {} H 0.0 {0.978215588339 0.931250515012 0.72809124543} BPADA_6FPDA_unit_6::H23 505 1 6 {} C 0.0 {-0.00150281799798 0.0145747021155 0.808352411369} BPADA_6FPDA_unit_6::C36 506 1 1 {} H 0.0 {0.950318311795 0.000640181491608 0.838830724908} BPADA_6FPDA_unit_6::H24 507 1 6 {} C 0.0 {0.0430529457425 0.0730065169112 0.833245150529} BPADA_6FPDA_unit_6::C37 508 1 6 {} C 0.0 {0.00593441281526 0.0808493082532 0.0568870926211} BPADA_6FPDA_unit_6::C38 509 1 6 {} C 0.0 {0.953973033872 0.140717705952 0.0281850787733} BPADA_6FPDA_unit_6::C39 510 1 1 {} H 0.0 {0.787340599061 0.195369522823 0.0859307190687} BPADA_6FPDA_unit_6::H25 511 1 6 {} C 0.0 {0.885709493837 0.140280408077 0.062251380961} BPADA_6FPDA_unit_6::C40 512 1 1 {} H 0.0 {0.875233172283 0.100051911553 0.104071421681} BPADA_6FPDA_unit_6::H26 513 1 6 {} C 0.0 {0.834496307426 0.194659020093 0.0502206505619} BPADA_6FPDA_unit_6::C41 514 1 6 {} C 0.0 {0.967710887097 0.199786995126 0.981199488448} BPADA_6FPDA_unit_6::C42 515 1 1 {} H 0.0 {0.0220082461177 0.212740278169 0.962296290192} BPADA_6FPDA_unit_6::H27 516 1 6 {} C 0.0 {0.914364748777 0.252387716225 0.965604344407} BPADA_6FPDA_unit_6::C43 517 1 1 {} H 0.0 {0.929689561745 0.299279824827 0.931762204727} BPADA_6FPDA_unit_6::H28 518 1 6 {} C 0.0 {0.847587863533 0.251287751178 0.00134552227475} BPADA_6FPDA_unit_6::C44 519 1 6 {} C 0.0 {-0.0170055900973 0.00209835455859 0.0317468359841} BPADA_6FPDA_unit_6::C45 520 1 6 {} C 0.0 {0.0895425300693 0.088072856999 0.0376747276923} BPADA_6FPDA_unit_6::C46 521 1 9 {} F 0.0 {0.102714712244 0.148560804302 -0.00244712772823} BPADA_6FPDA_unit_6::F1 522 1 9 {} F 0.0 {0.131091666002 0.0894202685454 0.0989426528314} BPADA_6FPDA_unit_6::F2 523 1 9 {} F 0.0 {0.116327322329 0.0321374503087 -0.00310487910456} BPADA_6FPDA_unit_6::F3 524 1 9 {} F 0.0 {0.00159685877123 0.0851602324741 0.133405563788} BPADA_6FPDA_unit_6::F4 525 1 9 {} F 0.0 {0.911642255273 -0.00917282171219 0.0639682044391} BPADA_6FPDA_unit_6::F5 526 1 9 {} F 0.0 {0.0254096734451 -0.0500109742056 0.0767157298798} BPADA_6FPDA_unit_6::F6 527 1 7 {} N 0.0 {0.470803136104 0.2514813021 0.550774142034} BPADA_6FPDA_unit_6::N3 528 1 1 {} H 0.0 {0.0652510079131 0.150523222309 0.498007772012} H_head 529 1 1 {} H 0.0 {0.806972890964 0.294658857335 0.994491596334} 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} {18.30721935 18.30721935 18.30721935 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{18.30721935 0 0} {0 18.30721935 0} {0 0 18.30721935}} {{0.0546232598672 0 0} {0 0.0546232598672 0} {0 0 0.0546232598672}} @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 10 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 13 6 0 0 8 7 0 0 11 9 0 0 87 9 0 0 12 10 0 0 87 10 0 0 14 13 0 0 16 14 0 0 19 14 0 0 18 15 0 0 17 16 0 0 18 16 0 0 23 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