#MD System 2.0 @Title amorphous(poly(Untitled-b-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 {0.375067754027 0.563257072317 0.853110117615} Untitled_1::C1 1 1 6 {} C 0.0 {0.24552677541 0.66459014475 0.911926755745} Untitled_1::C2 2 1 9 {} F 0.0 {0.409416318128 0.477973992753 0.974024129337} Untitled_1::F1 3 1 9 {} F 0.0 {0.479091863443 0.668934283953 0.82832382078} Untitled_1::F2 4 1 9 {} F 0.0 {0.213370382247 0.765945223908 0.805457515657} Untitled_1::F3 5 1 8 {} O 0.0 {0.303100009069 0.754780591096 0.0293463053292} Untitled_1::O 6 1 6 {} C 0.0 {0.310764755336 0.703562724932 0.171132506246} Untitled_1::C3 7 1 9 {} F 0.0 {0.208358122225 0.596210502915 0.199521248273} Untitled_1::F4 8 1 9 {} F 0.0 {0.286945824886 0.81776353972 0.263671900638} Untitled_1::F5 9 1 9 {} F 0.0 {0.446909779471 0.648322189283 0.202916151217} Untitled_1::F6 10 1 6 {} C 0.0 {0.270966649609 0.454159030843 0.584078988325} Untitled_2::C1 11 1 6 {} C 0.0 {0.391120202047 0.447262368686 0.707050850444} Untitled_2::C2 12 1 9 {} F 0.0 {0.336252043268 0.424575820594 0.451007639552} Untitled_2::F1 13 1 9 {} F 0.0 {0.221976963239 0.595876848909 0.575842744516} Untitled_2::F2 14 1 9 {} F 0.0 {0.516347111654 0.489768313197 0.636147503163} Untitled_2::F3 15 1 8 {} O 0.0 {0.40726604391 0.302820843044 0.763721384468} Untitled_2::O 16 1 6 {} C 0.0 {0.491346672551 0.188795135557 0.705216514156} Untitled_2::C3 17 1 9 {} F 0.0 {0.559919213788 0.222219868134 0.577383891711} Untitled_2::F4 18 1 9 {} F 0.0 {0.406169350098 0.0687021101276 0.679546843974} Untitled_2::F5 19 1 9 {} F 0.0 {0.591355443803 0.148812783082 0.8087573574} Untitled_2::F6 20 1 6 {} C 0.0 {0.095193418259 0.287488701044 0.757123536138} Untitled_3::C1 21 1 6 {} C 0.0 {0.139213388402 0.338977302602 0.594361765934} Untitled_3::C2 22 1 9 {} F 0.0 {0.152394352326 0.150459168245 0.774586106799} Untitled_3::F1 23 1 9 {} F 0.0 {0.1647179117 0.382683785556 0.85323813933} Untitled_3::F2 24 1 9 {} F 0.0 {0.185640990123 0.21614792768 0.521550259848} Untitled_3::F3 25 1 9 {} F 0.0 {0.0253520826917 0.399124156924 0.518619771944} Untitled_3::F4 26 1 6 {} C 0.0 {0.877719555477 0.398737749534 0.942697622771} Untitled_4::C1 27 1 6 {} C 0.0 {0.931952980061 0.276589245055 0.819836191503} Untitled_4::C2 28 1 9 {} F 0.0 {0.774098881959 0.321270992215 0.0214397751939} Untitled_4::F1 29 1 9 {} F 0.0 {0.989198750333 0.43003971634 0.0392547333548} Untitled_4::F2 30 1 9 {} F 0.0 {0.932428944481 0.148649385507 0.90094131986} Untitled_4::F3 31 1 9 {} F 0.0 {0.835017724056 0.256881355167 0.709832356989} Untitled_4::F4 32 1 6 {} C 0.0 {0.818071086665 0.684075176315 0.816297055328} Untitled_5::C1 33 1 6 {} C 0.0 {0.783824760887 0.54589671087 0.916090854118} Untitled_5::C2 34 1 9 {} F 0.0 {0.716641430048 0.790515536228 0.845584405364} Untitled_5::F1 35 1 9 {} F 0.0 {-0.0491757256494 0.738569720709 0.860786351855} Untitled_5::F2 36 1 9 {} F 0.0 {0.767892345858 0.603562177379 0.0553003263532} Untitled_5::F3 37 1 9 {} F 0.0 {0.653336667572 0.487585360797 0.871753577094} Untitled_5::F4 38 1 6 {} C 0.0 {0.720790092208 0.726448340948 0.529390549421} Untitled_6::C1 39 1 6 {} C 0.0 {0.823423571131 0.647843467872 0.645250916757} Untitled_6::C2 40 1 9 {} F 0.0 {0.715131511818 0.634816242237 0.409602407813} Untitled_6::F1 41 1 9 {} F 0.0 {0.581182855149 0.745853167364 0.579760663877} Untitled_6::F2 42 1 9 {} F 0.0 {0.794795743816 0.500806087271 0.632271526752} Untitled_6::F3 43 1 9 {} F 0.0 {-0.0349228636672 0.669972362604 0.600328119471} Untitled_6::F4 44 1 6 {} C 0.0 {0.924401229267 0.906458896831 0.407206537333} Untitled_7::C1 45 1 6 {} C 0.0 {0.769942514051 0.882482448984 0.47860728386} Untitled_7::C2 46 1 9 {} F 0.0 {0.0297895127416 0.916365671867 0.515350383487} Untitled_7::F1 47 1 9 {} F 0.0 {-0.0416560459701 0.791428818586 0.316150935309} Untitled_7::F2 48 1 9 {} F 0.0 {0.759966213857 0.972592479876 0.599959428819} Untitled_7::F3 49 1 9 {} F 0.0 {0.664682305215 0.923113239254 0.378346593394} Untitled_7::F4 50 1 6 {} C 0.0 {0.834701103895 0.0881463827589 0.188924566331} Untitled_8::C1 51 1 6 {} C 0.0 {0.933020618721 0.0542858608885 0.322364993998} Untitled_8::C2 52 1 9 {} F 0.0 {0.81315075081 -0.0361031059496 0.104874393875} Untitled_8::F1 53 1 9 {} F 0.0 {0.700708628903 0.146767770934 0.225848258027} Untitled_8::F2 54 1 9 {} F 0.0 {0.0754094403492 0.0654181176221 0.269879731302} Untitled_8::F3 55 1 9 {} F 0.0 {0.909993945399 0.164965185075 0.422782527331} Untitled_8::F4 56 1 1 {} H 0.0 {0.147058552988 0.606097838273 0.951240011568} H_head 57 1 1 {} H 0.0 {0.896258285862 0.169630650736 0.125754942949} H_tail 58 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} {9.03961033 9.03961033 9.03961033 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{9.03961033 0 0} {0 9.03961033 0} {0 0 9.03961033}} {{0.110624237494 0 0} {0 0.110624237494 0} {0 0 0.110624237494}} @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 11 0 0 0 4 1 0 0 5 1 0 0 56 1 0 0 6 5 0 0 7 6 0 0 8 6 0 0 9 6 0 0 11 10 0 0 12 10 0 0 13 10 0 0 21 10 0 0 14 11 0 0 15 11 0 0 16 15 0 0 17 16 0 0 18 16 0 0 19 16 0 0 21 20 0 0 22 20 0 0 23 20 0 0 27 20 0 0 24 21 0 0 25 21 0 0 27 26 0 0 28 26 0 0 29 26 0 0 33 26 0 0 30 27 0 0 31 27 0 0 33 32 0 0 34 32 0 0 35 32 0 0 39 32 0 0 36 33 0 0 37 33 0 0 39 38 0 0 40 38 0 0 41 38 0 0 45 38 0 0 42 39 0 0 43 39 0 0 45 44 0 0 46 44 0 0 47 44 0 0 51 44 0 0 48 45 0 0 49 45 0 0 51 50 0 0 52 50 0 0 53 50 0 0 57 50 0 0 54 51 0 0 55 51 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 2 0 {0 0 0} 0 2 3 0 {0 0 0} 0 3 11 0 {0 0 0} 0 4 4 1 {0 0 0} 0 5 1 5 {0 0 1} 0 6 56 1 {0 0 0} 0 7 6 5 {0 0 0} 0 8 7 6 {0 0 0} 0 9 8 6 {0 0 0} 0 10 9 6 {0 0 0} 0 11 11 10 {0 0 0} 0 12 12 10 {0 0 0} 0 13 13 10 {0 0 0} 0 14 21 10 {0 0 0} 0 15 14 11 {0 0 0} 0 16 15 11 {0 0 0} 0 17 16 15 {0 0 0} 0 18 17 16 {0 0 0} 0 19 18 16 {0 0 0} 0 20 19 16 {0 0 0} 0 21 21 20 {0 0 0} 0 22 22 20 {0 0 0} 0 23 23 20 {0 0 0} 0 24 27 20 {1 0 0} 0 25 24 21 {0 0 0} 0 26 25 21 {0 0 0} 0 27 27 26 {0 0 0} 0 28 26 28 {0 0 1} 0 29 26 29 {0 0 1} 0 30 33 26 {0 0 0} 0 31 30 27 {0 0 0} 0 32 31 27 {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 39 32 {0 0 0} 0 37 33 36 {0 0 1} 0 38 37 33 {0 0 0} 0 39 39 38 {0 0 0} 0 40 40 38 {0 0 0} 0 41 41 38 {0 0 0} 0 42 45 38 {0 0 0} 0 43 42 39 {0 0 0} 0 44 43 39 {0 0 0} 0 45 45 44 {0 0 0} 0 46 44 46 {1 0 0} 0 47 47 44 {0 0 0} 0 48 44 51 {0 1 0} 0 49 48 45 {0 0 0} 0 50 49 45 {0 0 0} 0 51 51 50 {0 0 0} 0 52 52 50 {0 1 0} 0 53 53 50 {0 0 0} 0 54 57 50 {0 0 0} 0 55 51 54 {1 0 0} 0 56 55 51 {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