#MD System 2.0 @Title magnesium sulfate hexahydrate (COD #2011043)_P1 (0 1 0) surface @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 Spin double 0.0 WyckoffPosition int -1 @end @data 12 {} mg+ 2.0001000000000002 {3.67615999999e-05 2.13023e-05 0.398465546468} Mg2 1 0.0 -1 12 {} mg+ 2.0001000000000002 {3.67615999999e-05 2.13023e-05 0.601566949757} Mg3 2 0.0 -1 12 {} mg+ 2.0001000000000002 {2.99999999999e-05 0.499991 0.398491542229} Mg5 3 0.0 -1 12 {} mg+ 2.0001000000000002 {2.99999999999e-05 0.499991 0.601592945518} Mg6 4 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500018 2.1272e-05 0.296930889834} Mg7 5 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500018 2.1272e-05 0.500032293123} Mg8 6 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500018 2.1272e-05 0.703133696412} Mg9 7 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500044 0.499978 0.296925609198} Mg10 8 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500044 0.499978 0.500027012487} Mg11 9 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500044 0.499978 0.703128415776} Mg12 10 0.0 -1 12 {} mg+ 2.0001000000000002 {0.999155587 0.250201 0.380061512809} Mg13 11 0.0 -1 12 {} mg+ 2.0001000000000002 {0.999155587 0.250201 0.583162916098} Mg14 12 0.0 -1 12 {} mg+ 2.0001000000000002 {0.000957824 0.749796 0.416899578204} Mg17 13 0.0 -1 12 {} mg+ 2.0001000000000002 {0.000957824 0.749796 0.620000981493} Mg18 14 0.0 -1 12 {} mg+ 2.0001000000000002 {0.499144 0.250192 0.278493344443} Mg19 15 0.0 -1 12 {} mg+ 2.0001000000000002 {0.499144 0.250192 0.481594747733} Mg20 16 0.0 -1 12 {} mg+ 2.0001000000000002 {0.499144 0.250192 0.684696151022} Mg21 17 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500937 0.749797 0.31535767085} Mg22 18 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500937 0.749797 0.518459074139} Mg23 19 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500937 0.749797 0.721560477428} Mg24 20 0.0 -1 16 {} s4o- 1.6388 {0.849771 0.125734 0.281459437337} S1 21 0.0 -1 16 {} s4o- 1.6388 {0.849771 0.125734 0.484560840626} S2 22 0.0 -1 16 {} s4o- 1.6388 {0.849771 0.125734 0.687662243915} S3 23 0.0 -1 16 {} s4o- 1.6388 {0.148682 0.374657 0.281597546291} S4 24 0.0 -1 16 {} s4o- 1.6388 {0.148682 0.374657 0.48469894958} S5 25 0.0 -1 16 {} s4o- 1.6388 {0.148682 0.374657 0.68780035287} S6 26 0.0 -1 16 {} s4o- 1.6388 {0.150266 0.874281 0.312378376365} S7 27 0.0 -1 16 {} s4o- 1.6388 {0.150266 0.874281 0.515479779654} S8 28 0.0 -1 16 {} s4o- 1.6388 {0.150266 0.874281 0.718581182944} S9 29 0.0 -1 16 {} s4o- 1.6388 {0.851441 0.625349 0.312255703118} S10 30 0.0 -1 16 {} s4o- 1.6388 {0.851441 0.625349 0.515357106407} S11 31 0.0 -1 16 {} s4o- 1.6388 {0.851441 0.625349 0.718458509696} S12 32 0.0 -1 16 {} s4o- 1.6388 {0.349779 0.125731 0.383008920373} S13 33 0.0 -1 16 {} s4o- 1.6388 {0.349779 0.125731 0.586110323662} S14 34 0.0 -1 16 {} s4o- 1.6388 {0.648681 0.374648 0.383140530083} S16 35 0.0 -1 16 {} s4o- 1.6388 {0.648681 0.374648 0.586241933372} S17 36 0.0 -1 16 {} s4o- 1.6388 {0.6503 0.874282 0.413938908118} S20 37 0.0 -1 16 {} s4o- 1.6388 {0.6503 0.874282 0.617040311407} S21 38 0.0 -1 16 {} s4o- 1.6388 {0.35143 0.625353 0.413810791753} S23 39 0.0 -1 16 {} s4o- 1.6388 {0.35143 0.625353 0.616912195042} S24 40 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259059 0.138937 0.418036255518} O2 41 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259059 0.138937 0.621137658807} O3 42 0.0 -1 8 {} o1S- -0.90969999999999995 {0.739641 0.361474 0.418235579235} O5 43 0.0 -1 8 {} o1S- -0.90969999999999995 {0.739641 0.361474 0.621336982524} O6 44 0.0 -1 8 {} o1S- -0.90969999999999995 {0.74102 0.861061 0.378920489125} O7 45 0.0 -1 8 {} o1S- -0.90969999999999995 {0.74102 0.861061 0.582021892414} O8 46 0.0 -1 8 {} o1S- -0.90969999999999995 {0.260467 0.63853 0.378714341201} O10 47 0.0 -1 8 {} o1S- -0.90969999999999995 {0.260467 0.63853 0.58181574449} O11 48 0.0 -1 8 {} o1S- -0.90969999999999995 {0.759091 0.138941 0.316491992188} O13 49 0.0 -1 8 {} o1S- -0.90969999999999995 {0.759091 0.138941 0.519593395477} O14 50 0.0 -1 8 {} o1S- -0.90969999999999995 {0.759091 0.138941 0.722694798766} O15 51 0.0 -1 8 {} o1S- -0.90969999999999995 {0.239658 0.361484 0.316692859475} O16 52 0.0 -1 8 {} o1S- -0.90969999999999995 {0.239658 0.361484 0.519794262765} O17 53 0.0 -1 8 {} o1S- -0.90969999999999995 {0.239658 0.361484 0.722895666054} O18 54 0.0 -1 8 {} o1S- -0.90969999999999995 {0.240979 0.861067 0.277353945571} O19 55 0.0 -1 8 {} o1S- -0.90969999999999995 {0.240979 0.861067 0.48045534886} O20 56 0.0 -1 8 {} o1S- -0.90969999999999995 {0.240979 0.861067 0.683556752149} O21 57 0.0 -1 8 {} o1S- -0.90969999999999995 {0.760481 0.638511 0.277154296892} O22 58 0.0 -1 8 {} o1S- -0.90969999999999995 {0.760481 0.638511 0.480255700181} O23 59 0.0 -1 8 {} o1S- -0.90969999999999995 {0.760481 0.638511 0.68335710347} O24 60 0.0 -1 8 {} o1S- -0.90969999999999995 {0.9761 0.170745 0.2765910967} O25 61 0.0 -1 8 {} o1S- -0.90969999999999995 {0.9761 0.170745 0.479692499989} O26 62 0.0 -1 8 {} o1S- -0.90969999999999995 {0.9761 0.170745 0.682793903278} O27 63 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0226021 0.329523 0.276590081193} O28 64 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0226021 0.329523 0.479691484482} O29 65 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0226021 0.329523 0.682792887771} O30 66 0.0 -1 8 {} o1S- -0.90969999999999995 {0.023977 0.82925 0.31726377752} O31 67 0.0 -1 8 {} o1S- -0.90969999999999995 {0.023977 0.82925 0.520365180809} O32 68 0.0 -1 8 {} o1S- -0.90969999999999995 {0.023977 0.82925 0.723466584098} O33 69 0.0 -1 8 {} o1S- -0.90969999999999995 {0.977526 0.670482 0.317259309289} O34 70 0.0 -1 8 {} o1S- -0.90969999999999995 {0.977526 0.670482 0.520360712578} O35 71 0.0 -1 8 {} o1S- -0.90969999999999995 {0.977526 0.670482 0.723462115867} O36 72 0.0 -1 8 {} o1S- -0.90969999999999995 {0.476065 0.170771 0.378130424666} O37 73 0.0 -1 8 {} o1S- -0.90969999999999995 {0.476065 0.170771 0.581231827955} O38 74 0.0 -1 8 {} o1S- -0.90969999999999995 {0.522588 0.329521 0.378138548722} O40 75 0.0 -1 8 {} o1S- -0.90969999999999995 {0.522588 0.329521 0.581239952011} O41 76 0.0 -1 8 {} o1S- -0.90969999999999995 {0.524008 0.829255 0.418823009424} O44 77 0.0 -1 8 {} o1S- -0.90969999999999995 {0.524008 0.829255 0.621924412713} O45 78 0.0 -1 8 {} o1S- -0.90969999999999995 {0.477503 0.670488 0.418815697773} O47 79 0.0 -1 8 {} o1S- -0.90969999999999995 {0.477503 0.670488 0.621917101062} O48 80 0.0 -1 8 {} o1S- -0.90969999999999995 {0.904455 0.0731096 0.291357787328} O49 81 0.0 -1 8 {} o1S- -0.90969999999999995 {0.904455 0.0731096 0.494459190617} O50 82 0.0 -1 8 {} o1S- -0.90969999999999995 {0.904455 0.0731096 0.697560593906} O51 83 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0935848 0.427144 0.291494474572} O52 84 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0935848 0.427144 0.494595877861} O53 85 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0935848 0.427144 0.69769728115} O54 86 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0955273 0.926896 0.302475761245} O55 87 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0955273 0.926896 0.505577164534} O56 88 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0955273 0.926896 0.708678567823} O57 89 0.0 -1 8 {} o1S- -0.90969999999999995 {0.906519 0.572855 0.302370554718} O58 90 0.0 -1 8 {} o1S- -0.90969999999999995 {0.906519 0.572855 0.505471958007} O59 91 0.0 -1 8 {} o1S- -0.90969999999999995 {0.906519 0.572855 0.708573361297} O60 92 0.0 -1 8 {} o1S- -0.90969999999999995 {0.404509 0.0731172 0.39291681613} O61 93 0.0 -1 8 {} o1S- -0.90969999999999995 {0.404509 0.0731172 0.596018219419} O62 94 0.0 -1 8 {} o1S- -0.90969999999999995 {0.593618 0.427139 0.393041520391} O64 95 0.0 -1 8 {} o1S- -0.90969999999999995 {0.593618 0.427139 0.596142923681} O65 96 0.0 -1 8 {} o1S- -0.90969999999999995 {0.595576 0.9269 0.40402934693} O68 97 0.0 -1 8 {} o1S- -0.90969999999999995 {0.595576 0.9269 0.607130750219} O69 98 0.0 -1 8 {} o1S- -0.90969999999999995 {0.406525 0.572863 0.403907709499} O71 99 0.0 -1 8 {} o1S- -0.90969999999999995 {0.406525 0.572863 0.607009112788} O72 100 0.0 -1 8 {} o1S- -0.90969999999999995 {0.768697 0.115825 0.241851210972} O73 101 0.0 -1 8 {} o1S- -0.90969999999999995 {0.768697 0.115825 0.444952614261} O74 102 0.0 -1 8 {} o1S- -0.90969999999999995 {0.768697 0.115825 0.64805401755} O75 103 0.0 -1 8 {} o1S- -0.90969999999999995 {0.229413 0.384669 0.24203623635} O76 104 0.0 -1 8 {} o1S- -0.90969999999999995 {0.229413 0.384669 0.445137639639} O77 105 0.0 -1 8 {} o1S- -0.90969999999999995 {0.229413 0.384669 0.648239042928} O78 106 0.0 -1 8 {} o1S- -0.90969999999999995 {0.231331 0.88419 0.351983759311} O79 107 0.0 -1 8 {} o1S- -0.90969999999999995 {0.231331 0.88419 0.5550851626} O80 108 0.0 -1 8 {} o1S- -0.90969999999999995 {0.231331 0.88419 0.758186565889} O81 109 0.0 -1 8 {} o1S- -0.90969999999999995 {0.770686 0.615355 0.35181132622} O82 110 0.0 -1 8 {} o1S- -0.90969999999999995 {0.770686 0.615355 0.554912729509} O83 111 0.0 -1 8 {} o1S- -0.90969999999999995 {0.770686 0.615355 0.758014132798} O84 112 0.0 -1 8 {} o1S- -0.90969999999999995 {0.268692 0.115811 0.343399881602} O85 113 0.0 -1 8 {} o1S- -0.90969999999999995 {0.268692 0.115811 0.546501284891} O86 114 0.0 -1 8 {} o1S- -0.90969999999999995 {0.729396 0.384645 0.343578610837} O88 115 0.0 -1 8 {} o1S- -0.90969999999999995 {0.729396 0.384645 0.546680014126} O89 116 0.0 -1 8 {} o1S- -0.90969999999999995 {0.731362 0.8842 0.453548474952} O92 117 0.0 -1 8 {} o1S- -0.90969999999999995 {0.731362 0.8842 0.656649878241} O93 118 0.0 -1 8 {} o1S- -0.90969999999999995 {0.270685 0.615341 0.453372386036} O95 119 0.0 -1 8 {} o1S- -0.90969999999999995 {0.270685 0.615341 0.656473789325} O96 120 0.0 -1 8 {} o* -0.85599999999999998 {0.0791533 0.0592935 0.441577068938} O98 121 0.0 -1 8 {} o* -0.85599999999999998 {0.0791533 0.0592935 0.644678472227} O99 122 0.0 -1 8 {} o* -0.85599999999999998 {0.91957 0.441322 0.441717208907} O101 123 0.0 -1 8 {} o* -0.85599999999999998 {0.91957 0.441322 0.644818612196} O102 124 0.0 -1 8 {} o* -0.85599999999999998 {0.920854 0.940716 0.355349149563} O103 125 0.0 -1 8 {} o* -0.85599999999999998 {0.920854 0.940716 0.558450552853} O104 126 0.0 -1 8 {} o* -0.85599999999999998 {0.080552 0.558668 0.355235006575} O106 127 0.0 -1 8 {} o* -0.85599999999999998 {0.080552 0.558668 0.558336409864} O107 128 0.0 -1 8 {} o* -0.85599999999999998 {0.579199 0.0592717 0.340049317752} O109 129 0.0 -1 8 {} o* -0.85599999999999998 {0.579199 0.0592717 0.543150721041} O110 130 0.0 -1 8 {} o* -0.85599999999999998 {0.579199 0.0592717 0.746252124331} O111 131 0.0 -1 8 {} o* -0.85599999999999998 {0.419602 0.441328 0.340164070045} O112 132 0.0 -1 8 {} o* -0.85599999999999998 {0.419602 0.441328 0.543265473334} O113 133 0.0 -1 8 {} o* -0.85599999999999998 {0.419602 0.441328 0.746366876623} O114 134 0.0 -1 8 {} o* -0.85599999999999998 {0.420864 0.940725 0.253797838615} O115 135 0.0 -1 8 {} o* -0.85599999999999998 {0.420864 0.940725 0.456899241904} O116 136 0.0 -1 8 {} o* -0.85599999999999998 {0.420864 0.940725 0.660000645193} O117 137 0.0 -1 8 {} o* -0.85599999999999998 {0.580511 0.558663 0.253670697136} O118 138 0.0 -1 8 {} o* -0.85599999999999998 {0.580511 0.558663 0.456772100425} O119 139 0.0 -1 8 {} o* -0.85599999999999998 {0.580511 0.558663 0.659873503714} O120 140 0.0 -1 1 {} hw 0.42799999999999999 {0.149286 0.0945375 0.436662421181} H2 141 0.0 -1 1 {} hw 0.42799999999999999 {0.149286 0.0945375 0.639763824471} H3 142 0.0 -1 1 {} hw 0.42799999999999999 {0.849323 0.406065 0.4368677567} H5 143 0.0 -1 1 {} hw 0.42799999999999999 {0.849323 0.406065 0.639969159989} H6 144 0.0 -1 1 {} hw 0.42799999999999999 {0.850773 0.905468 0.360299340066} H7 145 0.0 -1 1 {} hw 0.42799999999999999 {0.850773 0.905468 0.563400743355} H8 146 0.0 -1 1 {} hw 0.42799999999999999 {0.150802 0.593929 0.360089739418} H10 147 0.0 -1 1 {} hw 0.42799999999999999 {0.150802 0.593929 0.563191142707} H11 148 0.0 -1 1 {} hw 0.42799999999999999 {0.649316 0.0945007 0.335106642002} H13 149 0.0 -1 1 {} hw 0.42799999999999999 {0.649316 0.0945007 0.538208045291} H14 150 0.0 -1 1 {} hw 0.42799999999999999 {0.649316 0.0945007 0.74130944858} H15 151 0.0 -1 1 {} hw 0.42799999999999999 {0.349365 0.406064 0.335318679867} H16 152 0.0 -1 1 {} hw 0.42799999999999999 {0.349365 0.406064 0.538420083156} H17 153 0.0 -1 1 {} hw 0.42799999999999999 {0.349365 0.406064 0.741521486445} H18 154 0.0 -1 1 {} hw 0.42799999999999999 {0.350779 0.905468 0.258724063151} H19 155 0.0 -1 1 {} hw 0.42799999999999999 {0.350779 0.905468 0.461825466441} H20 156 0.0 -1 1 {} hw 0.42799999999999999 {0.350779 0.905468 0.66492686973} H21 157 0.0 -1 1 {} hw 0.42799999999999999 {0.650772 0.593921 0.258529085804} H22 158 0.0 -1 1 {} hw 0.42799999999999999 {0.650772 0.593921 0.461630489093} H23 159 0.0 -1 1 {} hw 0.42799999999999999 {0.650772 0.593921 0.664731892383} H24 160 0.0 -1 1 {} hw 0.42799999999999999 {0.0238746 0.0706718 0.464908342641} H26 161 0.0 -1 1 {} hw 0.42799999999999999 {0.0238746 0.0706718 0.66800974593} H27 162 0.0 -1 1 {} hw 0.42799999999999999 {0.975163 0.430049 0.465141706153} H29 163 0.0 -1 1 {} hw 0.42799999999999999 {0.975163 0.430049 0.668243109443} H30 164 0.0 -1 1 {} hw 0.42799999999999999 {0.976156 0.929314 0.332025593714} H31 165 0.0 -1 1 {} hw 0.42799999999999999 {0.976156 0.929314 0.535126997003} H32 166 0.0 -1 1 {} hw 0.42799999999999999 {0.0249246 0.569944 0.331812540342} H34 167 0.0 -1 1 {} hw 0.42799999999999999 {0.0249246 0.569944 0.534913943631} H35 168 0.0 -1 1 {} hw 0.42799999999999999 {0.523935 0.0706847 0.363374904616} H37 169 0.0 -1 1 {} hw 0.42799999999999999 {0.523935 0.0706847 0.566476307905} H38 170 0.0 -1 1 {} hw 0.42799999999999999 {0.523935 0.0706847 0.769577711194} H39 171 0.0 -1 1 {} hw 0.42799999999999999 {0.475204 0.430053 0.36358531767} H40 172 0.0 -1 1 {} hw 0.42799999999999999 {0.475204 0.430053 0.566686720959} H41 173 0.0 -1 1 {} hw 0.42799999999999999 {0.475204 0.430053 0.769788124248} H42 174 0.0 -1 1 {} hw 0.42799999999999999 {0.476221 0.929348 0.230475095171} H43 175 0.0 -1 1 {} hw 0.42799999999999999 {0.476221 0.929348 0.43357649846} H44 176 0.0 -1 1 {} hw 0.42799999999999999 {0.476221 0.929348 0.636677901749} H45 177 0.0 -1 1 {} hw 0.42799999999999999 {0.524889 0.569941 0.230246402991} H46 178 0.0 -1 1 {} hw 0.42799999999999999 {0.524889 0.569941 0.43334780628} H47 179 0.0 -1 1 {} hw 0.42799999999999999 {0.524889 0.569941 0.636449209569} H48 180 0.0 -1 8 {} o* -0.85599999999999998 {0.533582 0.060298 0.251202405782} O121 181 0.0 -1 8 {} o* -0.85599999999999998 {0.533582 0.060298 0.454303809071} O122 182 0.0 -1 8 {} o* -0.85599999999999998 {0.533582 0.060298 0.65740521236} O123 183 0.0 -1 8 {} o* -0.85599999999999998 {0.465715 0.439362 0.251440237525} O124 184 0.0 -1 8 {} o* -0.85599999999999998 {0.465715 0.439362 0.454541640814} O125 185 0.0 -1 8 {} o* -0.85599999999999998 {0.465715 0.439362 0.657643044104} O126 186 0.0 -1 8 {} o* -0.85599999999999998 {0.466462 0.9397 0.342636423427} O127 187 0.0 -1 8 {} o* -0.85599999999999998 {0.466462 0.9397 0.545737826716} O128 188 0.0 -1 8 {} o* -0.85599999999999998 {0.466462 0.9397 0.748839230006} O129 189 0.0 -1 8 {} o* -0.85599999999999998 {0.534427 0.560615 0.342407528146} O130 190 0.0 -1 8 {} o* -0.85599999999999998 {0.534427 0.560615 0.545508931435} O131 191 0.0 -1 8 {} o* -0.85599999999999998 {0.534427 0.560615 0.748610334724} O132 192 0.0 -1 8 {} o* -0.85599999999999998 {0.0335969 0.0602879 0.352727313548} O133 193 0.0 -1 8 {} o* -0.85599999999999998 {0.0335969 0.0602879 0.555828716838} O134 194 0.0 -1 8 {} o* -0.85599999999999998 {0.965665 0.439377 0.352987080243} O136 195 0.0 -1 8 {} o* -0.85599999999999998 {0.965665 0.439377 0.556088483532} O137 196 0.0 -1 8 {} o* -0.85599999999999998 {0.966387 0.939739 0.444202966981} O140 197 0.0 -1 8 {} o* -0.85599999999999998 {0.966387 0.939739 0.647304370271} O141 198 0.0 -1 8 {} o* -0.85599999999999998 {0.0344028 0.560609 0.443969197266} O143 199 0.0 -1 8 {} o* -0.85599999999999998 {0.0344028 0.560609 0.647070600555} O144 200 0.0 -1 1 {} hw 0.42799999999999999 {0.478932 0.0665608 0.225557197792} H49 201 0.0 -1 1 {} hw 0.42799999999999999 {0.478932 0.0665608 0.428658601081} H50 202 0.0 -1 1 {} hw 0.42799999999999999 {0.478932 0.0665608 0.63176000437} H51 203 0.0 -1 1 {} hw 0.42799999999999999 {0.519828 0.433327 0.225722522334} H52 204 0.0 -1 1 {} hw 0.42799999999999999 {0.519828 0.433327 0.428823925623} H53 205 0.0 -1 1 {} hw 0.42799999999999999 {0.519828 0.433327 0.631925328912} H54 206 0.0 -1 1 {} hw 0.42799999999999999 {0.521106 0.933447 0.368281834519} H55 207 0.0 -1 1 {} hw 0.42799999999999999 {0.521106 0.933447 0.571383237808} H56 208 0.0 -1 1 {} hw 0.42799999999999999 {0.521106 0.933447 0.774484641098} H57 209 0.0 -1 1 {} hw 0.42799999999999999 {0.480291 0.56666 0.368120572005} H58 210 0.0 -1 1 {} hw 0.42799999999999999 {0.480291 0.56666 0.571221975294} H59 211 0.0 -1 1 {} hw 0.42799999999999999 {0.480291 0.56666 0.774323378583} H60 212 0.0 -1 1 {} hw 0.42799999999999999 {0.97895 0.0665384 0.327079871442} H61 213 0.0 -1 1 {} hw 0.42799999999999999 {0.97895 0.0665384 0.530181274732} H62 214 0.0 -1 1 {} hw 0.42799999999999999 {0.019796 0.433346 0.327269771255} H64 215 0.0 -1 1 {} hw 0.42799999999999999 {0.019796 0.433346 0.530371174544} H65 216 0.0 -1 1 {} hw 0.42799999999999999 {0.0210359 0.933483 0.469847768769} H68 217 0.0 -1 1 {} hw 0.42799999999999999 {0.0210359 0.933483 0.672949172058} H69 218 0.0 -1 1 {} hw 0.42799999999999999 {0.980284 0.566648 0.469684069038} H71 219 0.0 -1 1 {} hw 0.42799999999999999 {0.980284 0.566648 0.672785472327} H72 220 0.0 -1 1 {} hw 0.42799999999999999 {0.622286 0.0882668 0.245268798285} H73 221 0.0 -1 1 {} hw 0.42799999999999999 {0.622286 0.0882668 0.448370201574} H74 222 0.0 -1 1 {} hw 0.42799999999999999 {0.622286 0.0882668 0.651471604863} H75 223 0.0 -1 1 {} hw 0.42799999999999999 {0.376705 0.411582 0.245433716624} H76 224 0.0 -1 1 {} hw 0.42799999999999999 {0.376705 0.411582 0.448535119914} H77 225 0.0 -1 1 {} hw 0.42799999999999999 {0.376705 0.411582 0.651636523203} H78 226 0.0 -1 1 {} hw 0.42799999999999999 {0.377731 0.911746 0.348580795299} H79 227 0.0 -1 1 {} hw 0.42799999999999999 {0.377731 0.911746 0.551682198588} H80 228 0.0 -1 1 {} hw 0.42799999999999999 {0.377731 0.911746 0.754783601877} H81 229 0.0 -1 1 {} hw 0.42799999999999999 {0.623444 0.588396 0.348416689365} H82 230 0.0 -1 1 {} hw 0.42799999999999999 {0.623444 0.588396 0.551518092654} H83 231 0.0 -1 1 {} hw 0.42799999999999999 {0.623444 0.588396 0.754619495943} H84 232 0.0 -1 1 {} hw 0.42799999999999999 {0.122296 0.0882703 0.346800611499} H85 233 0.0 -1 1 {} hw 0.42799999999999999 {0.122296 0.0882703 0.549902014788} H86 234 0.0 -1 1 {} hw 0.42799999999999999 {0.876661 0.411592 0.346975684909} H88 235 0.0 -1 1 {} hw 0.42799999999999999 {0.876661 0.411592 0.550077088198} H89 236 0.0 -1 1 {} hw 0.42799999999999999 {0.877654 0.911771 0.450137996188} H92 237 0.0 -1 1 {} hw 0.42799999999999999 {0.877654 0.911771 0.653239399477} H93 238 0.0 -1 1 {} hw 0.42799999999999999 {0.12341 0.588391 0.44997470266} H95 239 0.0 -1 1 {} hw 0.42799999999999999 {0.12341 0.588391 0.653076105949} H96 240 0.0 -1 8 {} o* -0.85599999999999998 {0.795304 0.0169762 0.407286666925} O146 241 0.0 -1 8 {} o* -0.85599999999999998 {0.795304 0.0169762 0.610388070215} O147 242 0.0 -1 8 {} o* -0.85599999999999998 {0.204039 0.482384 0.407618128416} O149 243 0.0 -1 8 {} o* -0.85599999999999998 {0.204039 0.482384 0.610719531705} O150 244 0.0 -1 8 {} o* -0.85599999999999998 {0.204694 0.983043 0.389647492841} O151 245 0.0 -1 8 {} o* -0.85599999999999998 {0.204694 0.983043 0.59274889613} O152 246 0.0 -1 8 {} o* -0.85599999999999998 {0.79607 0.517616 0.38933898181} O154 247 0.0 -1 8 {} o* -0.85599999999999998 {0.79607 0.517616 0.592440385099} O155 248 0.0 -1 8 {} o* -0.85599999999999998 {0.295324 0.0169571 0.305751583779} O157 249 0.0 -1 8 {} o* -0.85599999999999998 {0.295324 0.0169571 0.508852987068} O158 250 0.0 -1 8 {} o* 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0.4202959008} H101 263 0.0 -1 1 {} hw 0.42799999999999999 {0.235569 0.449734 0.623397304089} H102 264 0.0 -1 1 {} hw 0.42799999999999999 {0.238007 0.950697 0.377236372289} H103 265 0.0 -1 1 {} hw 0.42799999999999999 {0.238007 0.950697 0.580337775578} H104 266 0.0 -1 1 {} hw 0.42799999999999999 {0.764544 0.550263 0.376658142594} H106 267 0.0 -1 1 {} hw 0.42799999999999999 {0.764544 0.550263 0.579759545883} H107 268 0.0 -1 1 {} hw 0.42799999999999999 {0.261998 0.0492993 0.318168797373} H109 269 0.0 -1 1 {} hw 0.42799999999999999 {0.261998 0.0492993 0.521270200662} H110 270 0.0 -1 1 {} hw 0.42799999999999999 {0.261998 0.0492993 0.724371603951} H111 271 0.0 -1 1 {} hw 0.42799999999999999 {0.735606 0.449751 0.31873138826} H112 272 0.0 -1 1 {} hw 0.42799999999999999 {0.735606 0.449751 0.521832791549} H113 273 0.0 -1 1 {} hw 0.42799999999999999 {0.735606 0.449751 0.724934194838} H114 274 0.0 -1 1 {} hw 0.42799999999999999 {0.738038 0.950708 0.275689732672} H115 275 0.0 -1 1 {} hw 0.42799999999999999 {0.738038 0.950708 0.478791135962} H116 276 0.0 -1 1 {} hw 0.42799999999999999 {0.738038 0.950708 0.681892539251} H117 277 0.0 -1 1 {} hw 0.42799999999999999 {0.264512 0.550251 0.275104800631} H118 278 0.0 -1 1 {} hw 0.42799999999999999 {0.264512 0.550251 0.47820620392} H119 279 0.0 -1 1 {} hw 0.42799999999999999 {0.264512 0.550251 0.681307607209} H120 280 0.0 -1 1 {} hw 0.42799999999999999 {0.705264 0.989672 0.405372334649} H122 281 0.0 -1 1 {} hw 0.42799999999999999 {0.705264 0.989672 0.608473737938} H123 282 0.0 -1 1 {} hw 0.42799999999999999 {0.295029 0.508913 0.405533556543} H125 283 0.0 -1 1 {} hw 0.42799999999999999 {0.295029 0.508913 0.608634959832} H126 284 0.0 -1 1 {} hw 0.42799999999999999 {0.294723 0.01035 0.391558473945} H127 285 0.0 -1 1 {} hw 0.42799999999999999 {0.294723 0.01035 0.594659877234} H128 286 0.0 -1 1 {} hw 0.42799999999999999 {0.705096 0.491074 0.391420568092} H130 287 0.0 -1 1 {} hw 0.42799999999999999 {0.705096 0.491074 0.594521971381} 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0.0 -1 1 {} hw 0.42799999999999999 {0.448578 0.802636 0.386725066749} H202 390 0.0 -1 1 {} hw 0.42799999999999999 {0.448578 0.802636 0.589826470038} H203 391 0.0 -1 1 {} hw 0.42799999999999999 {0.448578 0.802636 0.792927873327} H204 392 0.0 -1 1 {} hw 0.42799999999999999 {0.947091 0.303002 0.308597440642} H205 393 0.0 -1 1 {} hw 0.42799999999999999 {0.947091 0.303002 0.511698843931} H206 394 0.0 -1 1 {} hw 0.42799999999999999 {0.0515296 0.197367 0.308697366532} H208 395 0.0 -1 1 {} hw 0.42799999999999999 {0.0515296 0.197367 0.511798769821} H209 396 0.0 -1 1 {} hw 0.42799999999999999 {0.0530547 0.697005 0.488358227563} H212 397 0.0 -1 1 {} hw 0.42799999999999999 {0.0530547 0.697005 0.691459630853} H213 398 0.0 -1 1 {} hw 0.42799999999999999 {0.948546 0.802612 0.48825647376} H215 399 0.0 -1 1 {} hw 0.42799999999999999 {0.948546 0.802612 0.69135787705} H216 400 0.0 -1 1 {} hw 0.42799999999999999 {0.299237 0.286784 0.222261065118} H217 401 0.0 -1 1 {} hw 0.42799999999999999 {0.299237 0.286784 0.425362468407} H218 402 0.0 -1 1 {} hw 0.42799999999999999 {0.299237 0.286784 0.628463871696} H219 403 0.0 -1 1 {} hw 0.42799999999999999 {0.699307 0.213638 0.222619132892} H220 404 0.0 -1 1 {} hw 0.42799999999999999 {0.699307 0.213638 0.425720536181} H221 405 0.0 -1 1 {} hw 0.42799999999999999 {0.699307 0.213638 0.62882193947} H222 406 0.0 -1 1 {} hw 0.42799999999999999 {0.700878 0.713229 0.371595433914} H223 407 0.0 -1 1 {} hw 0.42799999999999999 {0.700878 0.713229 0.574696837203} H224 408 0.0 -1 1 {} hw 0.42799999999999999 {0.700878 0.713229 0.777798240492} H225 409 0.0 -1 1 {} hw 0.42799999999999999 {0.300832 0.786372 0.371242240574} H226 410 0.0 -1 1 {} hw 0.42799999999999999 {0.300832 0.786372 0.574343643863} H227 411 0.0 -1 1 {} hw 0.42799999999999999 {0.300832 0.786372 0.777445047152} H228 412 0.0 -1 1 {} hw 0.42799999999999999 {0.799267 0.286774 0.32382598386} H229 413 0.0 -1 1 {} hw 0.42799999999999999 {0.799267 0.286774 0.526927387149} H230 414 0.0 -1 1 {} hw 0.42799999999999999 {0.199268 0.213605 0.324184660939} H232 415 0.0 -1 1 {} hw 0.42799999999999999 {0.199268 0.213605 0.527286064228} H233 416 0.0 -1 1 {} hw 0.42799999999999999 {0.20088 0.713201 0.473129684345} H236 417 0.0 -1 1 {} hw 0.42799999999999999 {0.20088 0.713201 0.676231087634} H237 418 0.0 -1 1 {} hw 0.42799999999999999 {0.800801 0.78632 0.472785630568} H239 419 0.0 -1 1 {} hw 0.42799999999999999 {0.800801 0.78632 0.675887033857} H240 420 0.0 -1 8 {} o* -0.85599999999999998 {0.34132 0.178007 0.283072062479} O217 421 0.0 -1 8 {} o* -0.85599999999999998 {0.34132 0.178007 0.486173465768} O218 422 0.0 -1 8 {} o* -0.85599999999999998 {0.34132 0.178007 0.689274869057} O219 423 0.0 -1 8 {} o* -0.85599999999999998 {0.657363 0.322313 0.283191079901} O220 424 0.0 -1 8 {} o* -0.85599999999999998 {0.657363 0.322313 0.486292483191} O221 425 0.0 -1 8 {} o* -0.85599999999999998 {0.657363 0.322313 0.68939388648} O222 426 0.0 -1 8 {} o* -0.85599999999999998 {0.658802 0.821984 0.310750112415} O223 427 0.0 -1 8 {} o* -0.85599999999999998 {0.658802 0.821984 0.513851515704} O224 428 0.0 -1 8 {} o* -0.85599999999999998 {0.658802 0.821984 0.716952918993} O225 429 0.0 -1 8 {} o* -0.85599999999999998 {0.34274 0.677685 0.310659935392} O226 430 0.0 -1 8 {} o* -0.85599999999999998 {0.34274 0.677685 0.513761338681} O227 431 0.0 -1 8 {} o* -0.85599999999999998 {0.34274 0.677685 0.71686274197} O228 432 0.0 -1 8 {} o* -0.85599999999999998 {0.841309 0.178017 0.384641652554} O229 433 0.0 -1 8 {} o* -0.85599999999999998 {0.841309 0.178017 0.587743055843} O230 434 0.0 -1 8 {} o* -0.85599999999999998 {0.157358 0.322325 0.384740766039} O232 435 0.0 -1 8 {} o* -0.85599999999999998 {0.157358 0.322325 0.587842169328} O233 436 0.0 -1 8 {} o* -0.85599999999999998 {0.15882 0.82198 0.412304774537} O236 437 0.0 -1 8 {} o* -0.85599999999999998 {0.15882 0.82198 0.615406177826} O237 438 0.0 -1 8 {} o* -0.85599999999999998 {0.842743 0.67768 0.412211815025} O239 439 0.0 -1 8 {} o* -0.85599999999999998 {0.842743 0.67768 0.615313218314} O240 440 0.0 -1 1 {} hw 0.42799999999999999 {0.303778 0.156426 0.258159238149} H241 441 0.0 -1 1 {} hw 0.42799999999999999 {0.303778 0.156426 0.461260641438} H242 442 0.0 -1 1 {} hw 0.42799999999999999 {0.303778 0.156426 0.664362044727} H243 443 0.0 -1 1 {} hw 0.42799999999999999 {0.694892 0.343898 0.258335327066} H244 444 0.0 -1 1 {} hw 0.42799999999999999 {0.694892 0.343898 0.461436730355} H245 445 0.0 -1 1 {} hw 0.42799999999999999 {0.694892 0.343898 0.664538133644} H246 446 0.0 -1 1 {} hw 0.42799999999999999 {0.696299 0.843553 0.335668217382} H247 447 0.0 -1 1 {} hw 0.42799999999999999 {0.696299 0.843553 0.538769620671} H248 448 0.0 -1 1 {} hw 0.42799999999999999 {0.696299 0.843553 0.74187102396} H249 449 0.0 -1 1 {} hw 0.42799999999999999 {0.305192 0.656113 0.335518937851} H250 450 0.0 -1 1 {} hw 0.42799999999999999 {0.305192 0.656113 0.53862034114} H251 451 0.0 -1 1 {} hw 0.42799999999999999 {0.305192 0.656113 0.741721744429} H252 452 0.0 -1 1 {} hw 0.42799999999999999 {0.803803 0.156441 0.359724766196} H253 453 0.0 -1 1 {} hw 0.42799999999999999 {0.803803 0.156441 0.562826169485} H254 454 0.0 -1 1 {} hw 0.42799999999999999 {0.194907 0.343892 0.359878107755} H256 455 0.0 -1 1 {} hw 0.42799999999999999 {0.194907 0.343892 0.562979511045} H257 456 0.0 -1 1 {} hw 0.42799999999999999 {0.196287 0.843567 0.437221762446} H260 457 0.0 -1 1 {} hw 0.42799999999999999 {0.196287 0.843567 0.640323165735} H261 458 0.0 -1 1 {} hw 0.42799999999999999 {0.805205 0.656109 0.437074513929} H263 459 0.0 -1 1 {} hw 0.42799999999999999 {0.805205 0.656109 0.640175917218} H264 460 0.0 -1 1 {} hw 0.42799999999999999 {0.808921 0.149113 0.406245061379} H266 461 0.0 -1 1 {} hw 0.42799999999999999 {0.808921 0.149113 0.609346464668} H267 462 0.0 -1 1 {} hw 0.42799999999999999 {0.189408 0.351286 0.406372202857} H269 463 0.0 -1 1 {} hw 0.42799999999999999 {0.189408 0.351286 0.609473606146} H270 464 0.0 -1 1 {} hw 0.42799999999999999 {0.19114 0.850891 0.390704026341} H271 465 0.0 -1 1 {} hw 0.42799999999999999 {0.19114 0.850891 0.59380542963} H272 466 0.0 -1 1 {} hw 0.42799999999999999 {0.810694 0.648726 0.390576884863} H274 467 0.0 -1 1 {} hw 0.42799999999999999 {0.810694 0.648726 0.593678288152} H275 468 0.0 -1 1 {} hw 0.42799999999999999 {0.308948 0.149114 0.304681036282} H277 469 0.0 -1 1 {} hw 0.42799999999999999 {0.308948 0.149114 0.507782439571} H278 470 0.0 -1 1 {} hw 0.42799999999999999 {0.308948 0.149114 0.71088384286} H279 471 0.0 -1 1 {} hw 0.42799999999999999 {0.689387 0.351266 0.304831534422} H280 472 0.0 -1 1 {} hw 0.42799999999999999 {0.689387 0.351266 0.507932937711} H281 473 0.0 -1 1 {} hw 0.42799999999999999 {0.689387 0.351266 0.711034341} H282 474 0.0 -1 1 {} hw 0.42799999999999999 {0.691169 0.850893 0.28914662235} H283 475 0.0 -1 1 {} hw 0.42799999999999999 {0.691169 0.850893 0.492248025639} H284 476 0.0 -1 1 {} hw 0.42799999999999999 {0.691169 0.850893 0.695349428928} H285 477 0.0 -1 1 {} hw 0.42799999999999999 {0.31069 0.648728 0.289026792522} H286 478 0.0 -1 1 {} hw 0.42799999999999999 {0.31069 0.648728 0.492128195811} H287 479 0.0 -1 1 {} hw 0.42799999999999999 {0.31069 0.648728 0.6952295991} H288 480 0.0 -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} {9.75106 24.458 33.27397 90 90 100.227} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{9.75106 0 0} {-4.3424815039 24.0694125061 0} {0 0 33.27397}} {{0.102552953217 0 0} {0.0185020844362 0.0415465063697 0} {0 0 0.0300535223179}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 80 20 0 2 100 20 0 2 60 20 0 2 48 20 0 2 81 21 0 2 101 21 0 2 61 21 0 2 49 21 0 2 82 22 0 2 102 22 0 2 62 22 0 2 50 22 0 2 63 23 0 2 83 23 0 2 103 23 0 2 51 23 0 2 64 24 0 2 84 24 0 2 104 24 0 2 52 24 0 2 65 25 0 2 85 25 0 2 105 25 0 2 53 25 0 2 54 26 0 2 66 26 0 2 86 26 0 2 106 26 0 2 55 27 0 2 67 27 0 2 87 27 0 2 107 27 0 2 56 28 0 2 68 28 0 2 88 28 0 2 108 28 0 2 57 29 0 2 89 29 0 2 109 29 0 2 69 29 0 2 58 30 0 2 90 30 0 2 110 30 0 2 70 30 0 2 59 31 0 2 91 31 0 2 111 31 0 2 71 31 0 2 112 32 0 2 92 32 0 2 72 32 0 2 40 32 0 2 113 33 0 2 93 33 0 2 73 33 0 2 41 33 0 2 74 34 0 2 94 34 0 2 114 34 0 2 42 34 0 2 75 35 0 2 95 35 0 2 115 35 0 2 43 35 0 2 44 36 0 2 76 36 0 2 96 36 0 2 116 36 0 2 45 37 0 2 77 37 0 2 97 37 0 2 117 37 0 2 46 38 0 2 118 38 0 2 98 38 0 2 78 38 0 2 47 39 0 2 119 39 0 2 99 39 0 2 79 39 0 2 140 120 0 0 160 120 0 0 141 121 0 0 161 121 0 0 142 122 0 0 162 122 0 0 143 123 0 0 163 123 0 0 144 124 0 0 164 124 0 0 145 125 0 0 165 125 0 0 146 126 0 0 166 126 0 0 147 127 0 0 167 127 0 0 148 128 0 0 168 128 0 0 149 129 0 0 169 129 0 0 150 130 0 0 170 130 0 0 151 131 0 0 171 131 0 0 152 132 0 0 172 132 0 0 153 133 0 0 173 133 0 0 154 134 0 0 174 134 0 0 155 135 0 0 175 135 0 0 156 136 0 0 176 136 0 0 157 137 0 0 177 137 0 0 158 138 0 0 178 138 0 0 159 139 0 0 179 139 0 0 200 180 0 0 220 180 0 0 201 181 0 0 221 181 0 0 202 182 0 0 222 182 0 0 203 183 0 0 223 183 0 0 204 184 0 0 224 184 0 0 205 185 0 0 225 185 0 0 206 186 0 0 226 186 0 0 207 187 0 0 227 187 0 0 208 188 0 0 228 188 0 0 209 189 0 0 229 189 0 0 210 190 0 0 230 190 0 0 211 191 0 0 231 191 0 0 212 192 0 0 232 192 0 0 213 193 0 0 233 193 0 0 234 194 0 0 214 194 0 0 235 195 0 0 215 195 0 0 236 196 0 0 216 196 0 0 237 197 0 0 217 197 0 0 218 198 0 0 238 198 0 0 219 199 0 0 239 199 0 0 280 240 0 0 260 240 0 0 281 241 0 0 261 241 0 0 262 242 0 0 282 242 0 0 263 243 0 0 283 243 0 0 264 244 0 0 284 244 0 0 265 245 0 0 285 245 0 0 286 246 0 0 266 246 0 0 287 247 0 0 267 247 0 0 288 248 0 0 268 248 0 0 289 249 0 0 269 249 0 0 290 250 0 0 270 250 0 0 271 251 0 0 291 251 0 0 272 252 0 0 292 252 0 0 273 253 0 0 293 253 0 0 274 254 0 0 294 254 0 0 275 255 0 0 295 255 0 0 276 256 0 0 296 256 0 0 297 257 0 0 277 257 0 0 298 258 0 0 278 258 0 0 299 259 0 0 279 259 0 0 320 300 0 0 340 300 0 0 321 301 0 0 341 301 0 0 322 302 0 0 342 302 0 0 323 303 0 0 343 303 0 0 324 304 0 0 344 304 0 0 325 305 0 0 345 305 0 0 326 306 0 0 346 306 0 0 327 307 0 0 347 307 0 0 328 308 0 0 348 308 0 0 329 309 0 0 349 309 0 0 330 310 0 0 350 310 0 0 351 311 0 0 331 311 0 0 352 312 0 0 332 312 0 0 353 313 0 0 333 313 0 0 354 314 0 0 334 314 0 0 355 315 0 0 335 315 0 0 356 316 0 0 336 316 0 0 337 317 0 0 357 317 0 0 338 318 0 0 358 318 0 0 339 319 0 0 359 319 0 0 400 360 0 0 380 360 0 0 401 361 0 0 381 361 0 0 402 362 0 0 382 362 0 0 383 363 0 0 403 363 0 0 384 364 0 0 404 364 0 0 385 365 0 0 405 365 0 0 386 366 0 0 406 366 0 0 387 367 0 0 407 367 0 0 388 368 0 0 408 368 0 0 409 369 0 0 389 369 0 0 410 370 0 0 390 370 0 0 411 371 0 0 391 371 0 0 392 372 0 0 412 372 0 0 393 373 0 0 413 373 0 0 394 374 0 0 414 374 0 0 395 375 0 0 415 375 0 0 396 376 0 0 416 376 0 0 397 377 0 0 417 377 0 0 398 378 0 0 418 378 0 0 399 379 0 0 419 379 0 0 440 420 0 0 468 420 0 0 441 421 0 0 469 421 0 0 442 422 0 0 470 422 0 0 443 423 0 0 471 423 0 0 444 424 0 0 472 424 0 0 445 425 0 0 473 425 0 0 474 426 0 0 446 426 0 0 475 427 0 0 447 427 0 0 476 428 0 0 448 428 0 0 477 429 0 0 449 429 0 0 478 430 0 0 450 430 0 0 479 431 0 0 451 431 0 0 452 432 0 0 460 432 0 0 453 433 0 0 461 433 0 0 454 434 0 0 462 434 0 0 455 435 0 0 463 435 0 0 464 436 0 0 456 436 0 0 465 437 0 0 457 437 0 0 466 438 0 0 458 438 0 0 467 439 0 0 459 439 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 80 20 {0 0 0} 0 1 100 20 {0 0 0} 0 2 60 20 {0 0 0} 0 3 48 20 {0 0 0} 0 4 81 21 {0 0 0} 0 5 101 21 {0 0 0} 0 6 61 21 {0 0 0} 0 7 49 21 {0 0 0} 0 8 82 22 {0 0 0} 0 9 102 22 {0 0 0} 0 10 62 22 {0 0 0} 0 11 50 22 {0 0 0} 0 12 63 23 {0 0 0} 0 13 83 23 {0 0 0} 0 14 103 23 {0 0 0} 0 15 51 23 {0 0 0} 0 16 64 24 {0 0 0} 0 17 84 24 {0 0 0} 0 18 104 24 {0 0 0} 0 19 52 24 {0 0 0} 0 20 65 25 {0 0 0} 0 21 85 25 {0 0 0} 0 22 105 25 {0 0 0} 0 23 53 25 {0 0 0} 0 24 54 26 {0 0 0} 0 25 66 26 {0 0 0} 0 26 86 26 {0 0 0} 0 27 106 26 {0 0 0} 0 28 55 27 {0 0 0} 0 29 67 27 {0 0 0} 0 30 87 27 {0 0 0} 0 31 107 27 {0 0 0} 0 32 56 28 {0 0 0} 0 33 68 28 {0 0 0} 0 34 88 28 {0 0 0} 0 35 108 28 {0 0 0} 0 36 57 29 {0 0 0} 0 37 89 29 {0 0 0} 0 38 109 29 {0 0 0} 0 39 69 29 {0 0 0} 0 40 58 30 {0 0 0} 0 41 90 30 {0 0 0} 0 42 110 30 {0 0 0} 0 43 70 30 {0 0 0} 0 44 59 31 {0 0 0} 0 45 91 31 {0 0 0} 0 46 111 31 {0 0 0} 0 47 71 31 {0 0 0} 0 48 112 32 {0 0 0} 0 49 92 32 {0 0 0} 0 50 72 32 {0 0 0} 0 51 40 32 {0 0 0} 0 52 113 33 {0 0 0} 0 53 93 33 {0 0 0} 0 54 73 33 {0 0 0} 0 55 41 33 {0 0 0} 0 56 74 34 {0 0 0} 0 57 94 34 {0 0 0} 0 58 114 34 {0 0 0} 0 59 42 34 {0 0 0} 0 60 75 35 {0 0 0} 0 61 95 35 {0 0 0} 0 62 115 35 {0 0 0} 0 63 43 35 {0 0 0} 0 64 44 36 {0 0 0} 0 65 76 36 {0 0 0} 0 66 96 36 {0 0 0} 0 67 116 36 {0 0 0} 0 68 45 37 {0 0 0} 0 69 77 37 {0 0 0} 0 70 97 37 {0 0 0} 0 71 117 37 {0 0 0} 0 72 46 38 {0 0 0} 0 73 118 38 {0 0 0} 0 74 98 38 {0 0 0} 0 75 78 38 {0 0 0} 0 76 47 39 {0 0 0} 0 77 119 39 {0 0 0} 0 78 99 39 {0 0 0} 0 79 79 39 {0 0 0} 0 80 140 120 {0 0 0} 0 81 160 120 {0 0 0} 0 82 141 121 {0 0 0} 0 83 161 121 {0 0 0} 0 84 142 122 {0 0 0} 0 85 162 122 {0 0 0} 0 86 143 123 {0 0 0} 0 87 163 123 {0 0 0} 0 88 144 124 {0 0 0} 0 89 164 124 {0 0 0} 0 90 145 125 {0 0 0} 0 91 165 125 {0 0 0} 0 92 146 126 {0 0 0} 0 93 166 126 {0 0 0} 0 94 147 127 {0 0 0} 0 95 167 127 {0 0 0} 0 96 148 128 {0 0 0} 0 97 168 128 {0 0 0} 0 98 149 129 {0 0 0} 0 99 169 129 {0 0 0} 0 100 150 130 {0 0 0} 0 101 170 130 {0 0 0} 0 102 151 131 {0 0 0} 0 103 171 131 {0 0 0} 0 104 152 132 {0 0 0} 0 105 172 132 {0 0 0} 0 106 153 133 {0 0 0} 0 107 173 133 {0 0 0} 0 108 154 134 {0 0 0} 0 109 174 134 {0 0 0} 0 110 155 135 {0 0 0} 0 111 175 135 {0 0 0} 0 112 156 136 {0 0 0} 0 113 176 136 {0 0 0} 0 114 157 137 {0 0 0} 0 115 177 137 {0 0 0} 0 116 158 138 {0 0 0} 0 117 178 138 {0 0 0} 0 118 159 139 {0 0 0} 0 119 179 139 {0 0 0} 0 120 200 180 {0 0 0} 0 121 220 180 {0 0 0} 0 122 201 181 {0 0 0} 0 123 221 181 {0 0 0} 0 124 202 182 {0 0 0} 0 125 222 182 {0 0 0} 0 126 203 183 {0 0 0} 0 127 223 183 {0 0 0} 0 128 204 184 {0 0 0} 0 129 224 184 {0 0 0} 0 130 205 185 {0 0 0} 0 131 225 185 {0 0 0} 0 132 206 186 {0 0 0} 0 133 226 186 {0 0 0} 0 134 207 187 {0 0 0} 0 135 227 187 {0 0 0} 0 136 208 188 {0 0 0} 0 137 228 188 {0 0 0} 0 138 209 189 {0 0 0} 0 139 229 189 {0 0 0} 0 140 210 190 {0 0 0} 0 141 230 190 {0 0 0} 0 142 211 191 {0 0 0} 0 143 231 191 {0 0 0} 0 144 212 192 {1 0 0} 0 145 232 192 {0 0 0} 0 146 213 193 {1 0 0} 0 147 233 193 {0 0 0} 0 148 234 194 {0 0 0} 0 149 214 194 {-1 0 0} 0 150 235 195 {0 0 0} 0 151 215 195 {-1 0 0} 0 152 236 196 {0 0 0} 0 153 216 196 {-1 0 0} 0 154 237 197 {0 0 0} 0 155 217 197 {-1 0 0} 0 156 218 198 {1 0 0} 0 157 238 198 {0 0 0} 0 158 219 199 {1 0 0} 0 159 239 199 {0 0 0} 0 160 280 240 {0 1 0} 0 161 260 240 {0 0 0} 0 162 281 241 {0 1 0} 0 163 261 241 {0 0 0} 0 164 262 242 {0 0 0} 0 165 282 242 {0 0 0} 0 166 263 243 {0 0 0} 0 167 283 243 {0 0 0} 0 168 264 244 {0 0 0} 0 169 284 244 {0 -1 0} 0 170 265 245 {0 0 0} 0 171 285 245 {0 -1 0} 0 172 286 246 {0 0 0} 0 173 266 246 {0 0 0} 0 174 287 247 {0 0 0} 0 175 267 247 {0 0 0} 0 176 288 248 {0 1 0} 0 177 268 248 {0 0 0} 0 178 289 249 {0 1 0} 0 179 269 249 {0 0 0} 0 180 290 250 {0 1 0} 0 181 270 250 {0 0 0} 0 182 271 251 {0 0 0} 0 183 291 251 {0 0 0} 0 184 272 252 {0 0 0} 0 185 292 252 {0 0 0} 0 186 273 253 {0 0 0} 0 187 293 253 {0 0 0} 0 188 274 254 {0 0 0} 0 189 294 254 {0 -1 0} 0 190 275 255 {0 0 0} 0 191 295 255 {0 -1 0} 0 192 276 256 {0 0 0} 0 193 296 256 {0 -1 0} 0 194 297 257 {0 0 0} 0 195 277 257 {0 0 0} 0 196 298 258 {0 0 0} 0 197 278 258 {0 0 0} 0 198 299 259 {0 0 0} 0 199 279 259 {0 0 0} 0 200 320 300 {0 0 0} 0 201 340 300 {0 0 0} 0 202 321 301 {0 0 0} 0 203 341 301 {0 0 0} 0 204 322 302 {0 0 0} 0 205 342 302 {0 0 0} 0 206 323 303 {0 0 0} 0 207 343 303 {0 0 0} 0 208 324 304 {0 0 0} 0 209 344 304 {0 0 0} 0 210 325 305 {0 0 0} 0 211 345 305 {0 0 0} 0 212 326 306 {0 0 0} 0 213 346 306 {0 0 0} 0 214 327 307 {0 0 0} 0 215 347 307 {0 0 0} 0 216 328 308 {0 0 0} 0 217 348 308 {0 0 0} 0 218 329 309 {0 0 0} 0 219 349 309 {0 0 0} 0 220 330 310 {0 0 0} 0 221 350 310 {0 0 0} 0 222 351 311 {0 0 0} 0 223 331 311 {0 0 0} 0 224 352 312 {0 0 0} 0 225 332 312 {0 0 0} 0 226 353 313 {0 0 0} 0 227 333 313 {0 0 0} 0 228 354 314 {0 0 0} 0 229 334 314 {0 0 0} 0 230 355 315 {0 0 0} 0 231 335 315 {0 0 0} 0 232 356 316 {0 0 0} 0 233 336 316 {0 0 0} 0 234 337 317 {0 0 0} 0 235 357 317 {0 0 0} 0 236 338 318 {0 0 0} 0 237 358 318 {0 0 0} 0 238 339 319 {0 0 0} 0 239 359 319 {0 0 0} 0 240 400 360 {0 0 0} 0 241 380 360 {0 0 0} 0 242 401 361 {0 0 0} 0 243 381 361 {0 0 0} 0 244 402 362 {0 0 0} 0 245 382 362 {0 0 0} 0 246 383 363 {0 0 0} 0 247 403 363 {0 0 0} 0 248 384 364 {0 0 0} 0 249 404 364 {0 0 0} 0 250 385 365 {0 0 0} 0 251 405 365 {0 0 0} 0 252 386 366 {0 0 0} 0 253 406 366 {0 0 0} 0 254 387 367 {0 0 0} 0 255 407 367 {0 0 0} 0 256 388 368 {0 0 0} 0 257 408 368 {0 0 0} 0 258 409 369 {0 0 0} 0 259 389 369 {0 0 0} 0 260 410 370 {0 0 0} 0 261 390 370 {0 0 0} 0 262 411 371 {0 0 0} 0 263 391 371 {0 0 0} 0 264 392 372 {0 0 0} 0 265 412 372 {0 0 0} 0 266 393 373 {0 0 0} 0 267 413 373 {0 0 0} 0 268 394 374 {0 0 0} 0 269 414 374 {0 0 0} 0 270 395 375 {0 0 0} 0 271 415 375 {0 0 0} 0 272 396 376 {0 0 0} 0 273 416 376 {0 0 0} 0 274 397 377 {0 0 0} 0 275 417 377 {0 0 0} 0 276 398 378 {0 0 0} 0 277 418 378 {0 0 0} 0 278 399 379 {0 0 0} 0 279 419 379 {0 0 0} 0 280 440 420 {0 0 0} 0 281 468 420 {0 0 0} 0 282 441 421 {0 0 0} 0 283 469 421 {0 0 0} 0 284 442 422 {0 0 0} 0 285 470 422 {0 0 0} 0 286 443 423 {0 0 0} 0 287 471 423 {0 0 0} 0 288 444 424 {0 0 0} 0 289 472 424 {0 0 0} 0 290 445 425 {0 0 0} 0 291 473 425 {0 0 0} 0 292 474 426 {0 0 0} 0 293 446 426 {0 0 0} 0 294 475 427 {0 0 0} 0 295 447 427 {0 0 0} 0 296 476 428 {0 0 0} 0 297 448 428 {0 0 0} 0 298 477 429 {0 0 0} 0 299 449 429 {0 0 0} 0 300 478 430 {0 0 0} 0 301 450 430 {0 0 0} 0 302 479 431 {0 0 0} 0 303 451 431 {0 0 0} 0 304 452 432 {0 0 0} 0 305 460 432 {0 0 0} 0 306 453 433 {0 0 0} 0 307 461 433 {0 0 0} 0 308 454 434 {0 0 0} 0 309 462 434 {0 0 0} 0 310 455 435 {0 0 0} 0 311 463 435 {0 0 0} 0 312 464 436 {0 0 0} 0 313 456 436 {0 0 0} 0 314 465 437 {0 0 0} 0 315 457 437 {0 0 0} 0 316 466 438 {0 0 0} 0 317 458 438 {0 0 0} 0 318 467 439 {0 0 0} 0 319 459 439 {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