#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 {0.0105707 0.00190607 0.393199} Mg2 1 0.0 -1 12 {} mg+ 2.0001000000000002 {0.989529 0.998093 0.606857} Mg3 2 0.0 -1 12 {} mg+ 2.0001000000000002 {0.989602 0.498112 0.393234} Mg5 3 0.0 -1 12 {} mg+ 2.0001000000000002 {0.0104736 0.501892 0.606815} Mg6 4 0.0 -1 12 {} mg+ 2.0001000000000002 {0.504843 0.996642 0.294271} Mg7 5 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500041 0.999998 0.500023} Mg8 6 0.0 -1 12 {} mg+ 2.0001000000000002 {0.495294 0.00335968 0.705787} Mg9 7 0.0 -1 12 {} mg+ 2.0001000000000002 {0.495784 0.503545 0.294397} Mg10 8 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500042 0.500005 0.500021} Mg11 9 0.0 -1 12 {} mg+ 2.0001000000000002 {0.504287 0.496455 0.705652} Mg12 10 0.0 -1 12 {} mg+ 2.0001000000000002 {0.000127753 0.249999 0.390368} Mg13 11 0.0 -1 12 {} mg+ 2.0001000000000002 {0.999956 0.249875 0.584187} Mg14 12 0.0 -1 12 {} mg+ 2.0001000000000002 {0.000143955 0.750122 0.41586} Mg17 13 0.0 -1 12 {} mg+ 2.0001000000000002 {0.999945 0.750005 0.609683} Mg18 14 0.0 -1 12 {} mg+ 2.0001000000000002 {0.499701 0.249864 0.281731} Mg19 15 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500071 0.249973 0.491038} Mg20 16 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500309 0.250047 0.69234} Mg21 17 0.0 -1 12 {} mg+ 2.0001000000000002 {0.499807 0.749962 0.307713} Mg22 18 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500021 0.75003 0.509013} Mg23 19 0.0 -1 12 {} mg+ 2.0001000000000002 {0.500295 0.750114 0.71832} Mg24 20 0.0 -1 16 {} s4o- 1.6388 {0.84082 0.130065 0.291664} S1 21 0.0 -1 16 {} s4o- 1.6388 {0.847614 0.119024 0.488208} S2 22 0.0 -1 16 {} s4o- 1.6388 {0.844995 0.133182 0.688575} S3 23 0.0 -1 16 {} s4o- 1.6388 {0.160106 0.370087 0.291794} S4 24 0.0 -1 16 {} s4o- 1.6388 {0.152517 0.380913 0.488246} S5 25 0.0 -1 16 {} s4o- 1.6388 {0.154547 0.366486 0.688575} S6 26 0.0 -1 16 {} s4o- 1.6388 {0.155125 0.86682 0.311478} S7 27 0.0 -1 16 {} s4o- 1.6388 {0.152481 0.880979 0.511845} S8 28 0.0 -1 16 {} s4o- 1.6388 {0.159293 0.869946 0.708383} S9 29 0.0 -1 16 {} s4o- 1.6388 {0.845526 0.633511 0.311475} S10 30 0.0 -1 16 {} s4o- 1.6388 {0.847567 0.619094 0.511803} S11 31 0.0 -1 16 {} s4o- 1.6388 {0.839965 0.629914 0.708255} S12 32 0.0 -1 16 {} s4o- 1.6388 {0.347231 0.135541 0.389638} S13 33 0.0 -1 16 {} s4o- 1.6388 {0.345192 0.121071 0.591792} S14 34 0.0 -1 16 {} s4o- 1.6388 {0.653116 0.364378 0.389635} S16 35 0.0 -1 16 {} s4o- 1.6388 {0.654853 0.378893 0.591748} S17 36 0.0 -1 16 {} s4o- 1.6388 {0.654919 0.878931 0.408264} S20 37 0.0 -1 16 {} s4o- 1.6388 {0.652854 0.864459 0.610416} S21 38 0.0 -1 16 {} s4o- 1.6388 {0.345233 0.621108 0.408302} S23 39 0.0 -1 16 {} s4o- 1.6388 {0.346948 0.635619 0.610414} S24 40 0.0 -1 8 {} o1S- -0.90969999999999995 {0.263027 0.141256 0.427679} O2 41 0.0 -1 8 {} o1S- -0.90969999999999995 {0.254419 0.136275 0.626177} O3 42 0.0 -1 8 {} o1S- -0.90969999999999995 {0.737316 0.35866 0.427676} O5 43 0.0 -1 8 {} o1S- -0.90969999999999995 {0.745761 0.36376 0.626118} O6 44 0.0 -1 8 {} o1S- -0.90969999999999995 {0.745695 0.863729 0.37388} O7 45 0.0 -1 8 {} o1S- -0.90969999999999995 {0.737067 0.858749 0.572375} O8 46 0.0 -1 8 {} o1S- -0.90969999999999995 {0.254332 0.636242 0.37393} O10 47 0.0 -1 8 {} o1S- -0.90969999999999995 {0.262755 0.641338 0.572371} O11 48 0.0 -1 8 {} o1S- -0.90969999999999995 {0.762476 0.141361 0.329791} O13 49 0.0 -1 8 {} o1S- -0.90969999999999995 {0.752271 0.130997 0.522402} O14 50 0.0 -1 8 {} o1S- -0.90969999999999995 {0.753717 0.146135 0.723407} O15 51 0.0 -1 8 {} o1S- -0.90969999999999995 {0.238555 0.358763 0.329894} O16 52 0.0 -1 8 {} o1S- -0.90969999999999995 {0.247765 0.368968 0.522471} O17 53 0.0 -1 8 {} o1S- -0.90969999999999995 {0.245757 0.353468 0.723397} O18 54 0.0 -1 8 {} o1S- -0.90969999999999995 {0.246401 0.853864 0.276647} O19 55 0.0 -1 8 {} o1S- -0.90969999999999995 {0.247819 0.869005 0.477649} O20 56 0.0 -1 8 {} o1S- -0.90969999999999995 {0.237646 0.858651 0.670257} O21 57 0.0 -1 8 {} o1S- -0.90969999999999995 {0.754316 0.646524 0.276653} O22 58 0.0 -1 8 {} o1S- -0.90969999999999995 {0.752316 0.631039 0.477578} O23 59 0.0 -1 8 {} o1S- -0.90969999999999995 {0.761527 0.641241 0.670154} O24 60 0.0 -1 8 {} o1S- -0.90969999999999995 {0.981104 0.167955 0.289642} O25 61 0.0 -1 8 {} o1S- -0.90969999999999995 {0.970572 0.165423 0.484553} O26 62 0.0 -1 8 {} o1S- -0.90969999999999995 {0.986405 0.169879 0.684585} O27 63 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0200302 0.332088 0.289762} O28 64 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0296071 0.334494 0.484581} O29 65 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0130073 0.329877 0.684575} O30 66 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0137117 0.830125 0.315469} O31 67 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0295145 0.834584 0.515496} O32 68 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0190214 0.832049 0.710405} O33 69 0.0 -1 8 {} o1S- -0.90969999999999995 {0.987059 0.670123 0.315474} O34 70 0.0 -1 8 {} o1S- -0.90969999999999995 {0.97048 0.665512 0.515466} O35 71 0.0 -1 8 {} o1S- -0.90969999999999995 {0.980053 0.667906 0.710289} O36 72 0.0 -1 8 {} o1S- -0.90969999999999995 {0.476939 0.178966 0.388489} O37 73 0.0 -1 8 {} o1S- -0.90969999999999995 {0.474357 0.164744 0.587586} O38 74 0.0 -1 8 {} o1S- -0.90969999999999995 {0.523396 0.320961 0.388481} O40 75 0.0 -1 8 {} o1S- -0.90969999999999995 {0.525852 0.335137 0.587555} O41 76 0.0 -1 8 {} o1S- -0.90969999999999995 {0.525759 0.835256 0.412471} O44 77 0.0 -1 8 {} o1S- -0.90969999999999995 {0.523146 0.821033 0.61156} O45 78 0.0 -1 8 {} o1S- -0.90969999999999995 {0.474239 0.664861 0.412495} O47 79 0.0 -1 8 {} o1S- -0.90969999999999995 {0.476661 0.679039 0.61157} O48 80 0.0 -1 8 {} o1S- -0.90969999999999995 {0.865169 0.0709418 0.295636} O49 81 0.0 -1 8 {} o1S- -0.90969999999999995 {0.9062 0.067006 0.497825} O50 82 0.0 -1 8 {} o1S- -0.90969999999999995 {0.867067 0.0737773 0.69235} O51 83 0.0 -1 8 {} o1S- -0.90969999999999995 {0.135488 0.429171 0.295822} O52 84 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0938472 0.432921 0.497827} O53 85 0.0 -1 8 {} o1S- -0.90969999999999995 {0.132671 0.425911 0.692362} O54 86 0.0 -1 8 {} o1S- -0.90969999999999995 {0.13306 0.926226 0.307703} O55 87 0.0 -1 8 {} o1S- -0.90969999999999995 {0.0939068 0.933 0.502231} O56 88 0.0 -1 8 {} o1S- -0.90969999999999995 {0.134934 0.929068 0.70441} O57 89 0.0 -1 8 {} o1S- -0.90969999999999995 {0.86741 0.574087 0.30769} O58 90 0.0 -1 8 {} o1S- -0.90969999999999995 {0.90623 0.567083 0.502222} O59 91 0.0 -1 8 {} o1S- -0.90969999999999995 {0.864563 0.570827 0.704228} O60 92 0.0 -1 8 {} o1S- -0.90969999999999995 {0.394374 0.0795901 0.39065} O61 93 0.0 -1 8 {} o1S- -0.90969999999999995 {0.39619 0.067849 0.602361} O62 94 0.0 -1 8 {} o1S- -0.90969999999999995 {0.606032 0.420337 0.390672} O64 95 0.0 -1 8 {} o1S- -0.90969999999999995 {0.603589 0.432056 0.602328} O65 96 0.0 -1 8 {} o1S- -0.90969999999999995 {0.603908 0.932151 0.397696} O68 97 0.0 -1 8 {} o1S- -0.90969999999999995 {0.605716 0.920411 0.609405} O69 98 0.0 -1 8 {} o1S- -0.90969999999999995 {0.396487 0.567944 0.397722} O71 99 0.0 -1 8 {} o1S- -0.90969999999999995 {0.394043 0.579662 0.609377} O72 100 0.0 -1 8 {} o1S- -0.90969999999999995 {0.740971 0.134288 0.256682} O73 101 0.0 -1 8 {} o1S- -0.90969999999999995 {0.769725 0.108955 0.448165} O74 102 0.0 -1 8 {} o1S- -0.90969999999999995 {0.757027 0.135121 0.650485} O75 103 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259931 0.365968 0.256788} O76 104 0.0 -1 8 {} o1S- -0.90969999999999995 {0.23051 0.390979 0.448219} O77 105 0.0 -1 8 {} o1S- -0.90969999999999995 {0.242527 0.364554 0.650491} O78 106 0.0 -1 8 {} o1S- -0.90969999999999995 {0.243088 0.86488 0.349569} O79 107 0.0 -1 8 {} o1S- -0.90969999999999995 {0.230371 0.891042 0.551887} O80 108 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259139 0.865725 0.743366} O81 109 0.0 -1 8 {} o1S- -0.90969999999999995 {0.757544 0.635444 0.349559} O82 110 0.0 -1 8 {} o1S- -0.90969999999999995 {0.769578 0.609031 0.55183} O83 111 0.0 -1 8 {} o1S- -0.90969999999999995 {0.740137 0.634037 0.743259} O84 112 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259407 0.139993 0.351918} O85 113 0.0 -1 8 {} o1S- -0.90969999999999995 {0.266188 0.111309 0.551939} O86 114 0.0 -1 8 {} o1S- -0.90969999999999995 {0.740869 0.359939 0.351902} O88 115 0.0 -1 8 {} o1S- -0.90969999999999995 {0.733854 0.388719 0.551896} O89 116 0.0 -1 8 {} o1S- -0.90969999999999995 {0.733921 0.888696 0.448118} O92 117 0.0 -1 8 {} o1S- -0.90969999999999995 {0.740666 0.86 0.648137} O93 118 0.0 -1 8 {} o1S- -0.90969999999999995 {0.266228 0.611283 0.448153} O95 119 0.0 -1 8 {} o1S- -0.90969999999999995 {0.259181 0.640055 0.648145} O96 120 0.0 -1 8 {} o* -0.85599999999999998 {0.0742445 0.0591788 0.43963} O98 121 0.0 -1 8 {} o* -0.85599999999999998 {0.0725717 0.0561898 0.652172} O99 122 0.0 -1 8 {} o* -0.85599999999999998 {0.925944 0.440812 0.439648} O101 123 0.0 -1 8 {} o* -0.85599999999999998 {0.927522 0.443766 0.652123} O102 124 0.0 -1 8 {} o* -0.85599999999999998 {0.927545 0.943813 0.347882} O103 125 0.0 -1 8 {} o* -0.85599999999999998 {0.925859 0.940825 0.560426} O104 126 0.0 -1 8 {} o* -0.85599999999999998 {0.072564 0.556235 0.347928} O106 127 0.0 -1 8 {} o* -0.85599999999999998 {0.0741284 0.559191 0.560402} O107 128 0.0 -1 8 {} o* -0.85599999999999998 {0.551011 0.0636019 0.334458} O109 129 0.0 -1 8 {} o* -0.85599999999999998 {0.571733 0.0561001 0.545584} O110 130 0.0 -1 8 {} o* -0.85599999999999998 {0.549099 0.0761012 0.742434} O111 131 0.0 -1 8 {} o* -0.85599999999999998 {0.449849 0.436494 0.334494} O112 132 0.0 -1 8 {} o* -0.85599999999999998 {0.428305 0.443926 0.545591} O113 133 0.0 -1 8 {} o* -0.85599999999999998 {0.451087 0.423481 0.742086} O114 134 0.0 -1 8 {} o* -0.85599999999999998 {0.451058 0.923892 0.257631} O115 135 0.0 -1 8 {} o* -0.85599999999999998 {0.428357 0.943904 0.454472} O116 136 0.0 -1 8 {} o* -0.85599999999999998 {0.449104 0.936405 0.665597} O117 137 0.0 -1 8 {} o* -0.85599999999999998 {0.548982 0.576516 0.257961} O118 138 0.0 -1 8 {} o* -0.85599999999999998 {0.571766 0.556078 0.454462} O119 139 0.0 -1 8 {} o* -0.85599999999999998 {0.550229 0.563507 0.665555} O120 140 0.0 -1 1 {} hw 0.42799999999999999 {0.148927 0.0939072 0.439375} H2 141 0.0 -1 1 {} hw 0.42799999999999999 {0.134051 0.0931034 0.645829} H3 142 0.0 -1 1 {} hw 0.42799999999999999 {0.851354 0.406054 0.43938} H5 143 0.0 -1 1 {} hw 0.42799999999999999 {0.865981 0.406877 0.645721} H6 144 0.0 -1 1 {} hw 0.42799999999999999 {0.866075 0.906898 0.354226} H7 145 0.0 -1 1 {} hw 0.42799999999999999 {0.851179 0.906097 0.56068} H8 146 0.0 -1 1 {} hw 0.42799999999999999 {0.134103 0.593124 0.354329} H10 147 0.0 -1 1 {} hw 0.42799999999999999 {0.148721 0.593947 0.56067} H11 148 0.0 -1 1 {} hw 0.42799999999999999 {0.632775 0.0956034 0.336501} H13 149 0.0 -1 1 {} hw 0.42799999999999999 {0.646289 0.0904468 0.540057} H14 150 0.0 -1 1 {} hw 0.42799999999999999 {0.640215 0.103417 0.736062} H15 151 0.0 -1 1 {} hw 0.42799999999999999 {0.368103 0.404467 0.336521} H16 152 0.0 -1 1 {} hw 0.42799999999999999 {0.35373 0.409572 0.540103} H17 153 0.0 -1 1 {} hw 0.42799999999999999 {0.35966 0.396263 0.735934} H18 154 0.0 -1 1 {} hw 0.42799999999999999 {0.359924 0.896584 0.263994} H19 155 0.0 -1 1 {} hw 0.42799999999999999 {0.353798 0.90956 0.459996} H20 156 0.0 -1 1 {} hw 0.42799999999999999 {0.367331 0.904406 0.663553} H21 157 0.0 -1 1 {} hw 0.42799999999999999 {0.640411 0.603733 0.264114} H22 158 0.0 -1 1 {} hw 0.42799999999999999 {0.646337 0.590431 0.459947} H23 159 0.0 -1 1 {} hw 0.42799999999999999 {0.631973 0.595534 0.663527} H24 160 0.0 -1 1 {} hw 0.42799999999999999 {0.0219515 0.0659053 0.464893} H26 161 0.0 -1 1 {} hw 0.42799999999999999 {0.00130492 0.0687549 0.671105} H27 162 0.0 -1 1 {} hw 0.42799999999999999 {0.978269 0.434078 0.464908} H29 163 0.0 -1 1 {} hw 0.42799999999999999 {0.998693 0.431113 0.671048} H30 164 0.0 -1 1 {} hw 0.42799999999999999 {0.998813 0.931249 0.328949} H31 165 0.0 -1 1 {} hw 0.42799999999999999 {0.978154 0.9341 0.535163} H32 166 0.0 -1 1 {} hw 0.42799999999999999 {0.00139377 0.568888 0.329003} H34 167 0.0 -1 1 {} hw 0.42799999999999999 {0.0218091 0.565926 0.535142} H35 168 0.0 -1 1 {} hw 0.42799999999999999 {0.494697 0.0729442 0.358607} H37 169 0.0 -1 1 {} hw 0.42799999999999999 {0.522387 0.068515 0.569423} H38 170 0.0 -1 1 {} hw 0.42799999999999999 {0.506383 0.101907 0.758867} H39 171 0.0 -1 1 {} hw 0.42799999999999999 {0.50617 0.42709 0.358632} H40 172 0.0 -1 1 {} hw 0.42799999999999999 {0.47779 0.43152 0.569413} H41 173 0.0 -1 1 {} hw 0.42799999999999999 {0.494964 0.397381 0.757896} H42 174 0.0 -1 1 {} hw 0.42799999999999999 {0.493827 0.898066 0.24123} H43 175 0.0 -1 1 {} hw 0.42799999999999999 {0.4777 0.931486 0.430636} H44 176 0.0 -1 1 {} hw 0.42799999999999999 {0.505413 0.927059 0.641448} H45 177 0.0 -1 1 {} hw 0.42799999999999999 {0.505109 0.602617 0.24215} H46 178 0.0 -1 1 {} hw 0.42799999999999999 {0.52229 0.568482 0.430641} H47 179 0.0 -1 1 {} hw 0.42799999999999999 {0.493909 0.572909 0.641417} H48 180 0.0 -1 8 {} o* -0.85599999999999998 {0.567448 0.0507468 0.244513} O121 181 0.0 -1 8 {} o* -0.85599999999999998 {0.52645 0.0619575 0.454678} O122 182 0.0 -1 8 {} o* -0.85599999999999998 {0.558291 0.0549347 0.655059} O123 183 0.0 -1 8 {} o* -0.85599999999999998 {0.433127 0.449571 0.244576} O124 184 0.0 -1 8 {} o* -0.85599999999999998 {0.473807 0.438012 0.454687} O125 185 0.0 -1 8 {} o* -0.85599999999999998 {0.440882 0.444975 0.654867} O126 186 0.0 -1 8 {} o* -0.85599999999999998 {0.441824 0.945072 0.344999} O127 187 0.0 -1 8 {} o* -0.85599999999999998 {0.473641 0.938046 0.545375} O128 188 0.0 -1 8 {} o* -0.85599999999999998 {0.432695 0.949251 0.755542} O129 189 0.0 -1 8 {} o* -0.85599999999999998 {0.559185 0.555024 0.345182} O130 190 0.0 -1 8 {} o* -0.85599999999999998 {0.526282 0.561992 0.545362} O131 191 0.0 -1 8 {} o* -0.85599999999999998 {0.566955 0.550428 0.755473} O132 192 0.0 -1 8 {} o* -0.85599999999999998 {0.0475575 0.0619552 0.347194} O133 193 0.0 -1 8 {} o* -0.85599999999999998 {0.0248382 0.060343 0.562585} O134 194 0.0 -1 8 {} o* -0.85599999999999998 {0.952732 0.438061 0.347241} O136 195 0.0 -1 8 {} o* -0.85599999999999998 {0.975127 0.439633 0.562562} O137 196 0.0 -1 8 {} o* -0.85599999999999998 {0.975261 0.93966 0.43747} O140 197 0.0 -1 8 {} o* -0.85599999999999998 {0.952525 0.938042 0.65286} O141 198 0.0 -1 8 {} o* -0.85599999999999998 {0.0249492 0.560369 0.437487} O143 199 0.0 -1 8 {} o* -0.85599999999999998 {0.0473267 0.561937 0.65281} O144 200 0.0 -1 1 {} hw 0.42799999999999999 {0.556196 0.0574622 0.215736} H49 201 0.0 -1 1 {} hw 0.42799999999999999 {0.476857 0.0706858 0.429343} H50 202 0.0 -1 1 {} hw 0.42799999999999999 {0.490157 0.0612993 0.6322} H51 203 0.0 -1 1 {} hw 0.42799999999999999 {0.444102 0.44294 0.215772} H52 204 0.0 -1 1 {} hw 0.42799999999999999 {0.523443 0.429238 0.429375} H53 205 0.0 -1 1 {} hw 0.42799999999999999 {0.509209 0.438563 0.632074} H54 206 0.0 -1 1 {} hw 0.42799999999999999 {0.509953 0.938706 0.367859} H55 207 0.0 -1 1 {} hw 0.42799999999999999 {0.523242 0.929314 0.570709} H56 208 0.0 -1 1 {} hw 0.42799999999999999 {0.443984 0.942513 0.784315} H57 209 0.0 -1 1 {} hw 0.42799999999999999 {0.490859 0.561435 0.367976} H58 210 0.0 -1 1 {} hw 0.42799999999999999 {0.476641 0.570766 0.570674} H59 211 0.0 -1 1 {} hw 0.42799999999999999 {0.556017 0.55705 0.78428} H60 212 0.0 -1 1 {} hw 0.42799999999999999 {0.981642 0.069037 0.324585} H61 213 0.0 -1 1 {} hw 0.42799999999999999 {0.975117 0.0638658 0.535668} H62 214 0.0 -1 1 {} hw 0.42799999999999999 {0.0188742 0.431012 0.324676} H64 215 0.0 -1 1 {} hw 0.42799999999999999 {0.0248613 0.436054 0.535655} H65 216 0.0 -1 1 {} hw 0.42799999999999999 {0.0249799 0.936136 0.464387} H68 217 0.0 -1 1 {} hw 0.42799999999999999 {0.0184539 0.930964 0.675466} H69 218 0.0 -1 1 {} hw 0.42799999999999999 {0.975211 0.56395 0.464394} H71 219 0.0 -1 1 {} hw 0.42799999999999999 {0.981186 0.568987 0.675374} H72 220 0.0 -1 1 {} hw 0.42799999999999999 {0.64312 0.0859368 0.249474} H73 221 0.0 -1 1 {} hw 0.42799999999999999 {0.621082 0.0867036 0.44948} H74 222 0.0 -1 1 {} hw 0.42799999999999999 {0.631554 0.0899082 0.650798} H75 223 0.0 -1 1 {} hw 0.42799999999999999 {0.35763 0.414322 0.249545} H76 224 0.0 -1 1 {} hw 0.42799999999999999 {0.379181 0.413255 0.449498} H77 225 0.0 -1 1 {} hw 0.42799999999999999 {0.367774 0.409937 0.650673} H78 226 0.0 -1 1 {} hw 0.42799999999999999 {0.368566 0.910096 0.349257} H79 227 0.0 -1 1 {} hw 0.42799999999999999 {0.379011 0.913298 0.550574} H80 228 0.0 -1 1 {} hw 0.42799999999999999 {0.357003 0.914068 0.750578} H81 229 0.0 -1 1 {} hw 0.42799999999999999 {0.632293 0.590061 0.349379} H82 230 0.0 -1 1 {} hw 0.42799999999999999 {0.6209 0.586755 0.550549} H83 231 0.0 -1 1 {} hw 0.42799999999999999 {0.64244 0.58568 0.750502} H84 232 0.0 -1 1 {} hw 0.42799999999999999 {0.122966 0.0958377 0.344255} H85 233 0.0 -1 1 {} hw 0.42799999999999999 {0.115769 0.0864925 0.555967} H86 234 0.0 -1 1 {} hw 0.42799999999999999 {0.87739 0.404176 0.344239} H88 235 0.0 -1 1 {} hw 0.42799999999999999 {0.884123 0.413521 0.555941} H89 236 0.0 -1 1 {} hw 0.42799999999999999 {0.884325 0.913513 0.444088} H92 237 0.0 -1 1 {} hw 0.42799999999999999 {0.877126 0.904158 0.655801} H93 238 0.0 -1 1 {} hw 0.42799999999999999 {0.115949 0.586482 0.444108} H95 239 0.0 -1 1 {} hw 0.42799999999999999 {0.122668 0.595822 0.65581} H96 240 0.0 -1 8 {} o* -0.85599999999999998 {0.804468 0.0186469 0.402729} O146 241 0.0 -1 8 {} o* -0.85599999999999998 {0.778098 0.00721878 0.613887} O147 242 0.0 -1 8 {} o* -0.85599999999999998 {0.195765 0.481386 0.402753} O149 243 0.0 -1 8 {} o* -0.85599999999999998 {0.221935 0.492828 0.613854} O150 244 0.0 -1 8 {} o* -0.85599999999999998 {0.222005 0.992784 0.386166} O151 245 0.0 -1 8 {} o* -0.85599999999999998 {0.195631 0.981354 0.597329} O152 246 0.0 -1 8 {} o* -0.85599999999999998 {0.77814 0.507172 0.386195} O154 247 0.0 -1 8 {} o* -0.85599999999999998 {0.804304 0.518614 0.597298} O155 248 0.0 -1 8 {} o* -0.85599999999999998 {0.292996 0.00846153 0.289513} O157 249 0.0 -1 8 {} o* -0.85599999999999998 {0.295894 0.0171169 0.510692} O158 250 0.0 -1 8 {} o* -0.85599999999999998 {0.285941 0.0167407 0.699615} O159 251 0.0 -1 8 {} o* -0.85599999999999998 {0.70763 0.491849 0.289494} O160 252 0.0 -1 8 {} o* -0.85599999999999998 {0.704184 0.482938 0.510725} O161 253 0.0 -1 8 {} o* -0.85599999999999998 {0.713664 0.483134 0.69938} O162 254 0.0 -1 8 {} o* -0.85599999999999998 {0.714199 0.983264 0.300443} O163 255 0.0 -1 8 {} o* -0.85599999999999998 {0.7042 0.982891 0.489362} O164 256 0.0 -1 8 {} o* -0.85599999999999998 {0.707143 0.991537 0.710536} O165 257 0.0 -1 8 {} o* -0.85599999999999998 {0.286405 0.516863 0.300667} O166 258 0.0 -1 8 {} o* -0.85599999999999998 {0.295894 0.517066 0.489326} O167 259 0.0 -1 8 {} o* -0.85599999999999998 {0.292443 0.508152 0.710555} O168 260 0.0 -1 1 {} hw 0.42799999999999999 {0.773333 0.0493171 0.418218} H98 261 0.0 -1 1 {} hw 0.42799999999999999 {0.718823 0.0312206 0.62657} H99 262 0.0 -1 1 {} hw 0.42799999999999999 {0.226873 0.450691 0.418213} H101 263 0.0 -1 1 {} hw 0.42799999999999999 {0.281527 0.468926 0.626515} H102 264 0.0 -1 1 {} hw 0.42799999999999999 {0.281283 0.968787 0.37348} H103 265 0.0 -1 1 {} hw 0.42799999999999999 {0.226774 0.950686 0.581841} H104 266 0.0 -1 1 {} hw 0.42799999999999999 {0.71855 0.531071 0.37353} H106 267 0.0 -1 1 {} hw 0.42799999999999999 {0.773193 0.549308 0.581837} H107 268 0.0 -1 1 {} hw 0.42799999999999999 {0.226353 0.0343352 0.29015} H109 269 0.0 -1 1 {} hw 0.42799999999999999 {0.264004 0.0488765 0.524557} H110 270 0.0 -1 1 {} hw 0.42799999999999999 {0.218539 0.0355044 0.684989} H111 271 0.0 -1 1 {} hw 0.42799999999999999 {0.774422 0.466035 0.290027} H112 272 0.0 -1 1 {} hw 0.42799999999999999 {0.736063 0.451153 0.524562} H113 273 0.0 -1 1 {} hw 0.42799999999999999 {0.781149 0.464402 0.684761} H114 274 0.0 -1 1 {} hw 0.42799999999999999 {0.781613 0.964507 0.315069} H115 275 0.0 -1 1 {} hw 0.42799999999999999 {0.736089 0.951131 0.475499} H116 276 0.0 -1 1 {} hw 0.42799999999999999 {0.77379 0.965665 0.709893} H117 277 0.0 -1 1 {} hw 0.42799999999999999 {0.218927 0.535596 0.315289} H118 278 0.0 -1 1 {} hw 0.42799999999999999 {0.264019 0.548852 0.475488} H119 279 0.0 -1 1 {} hw 0.42799999999999999 {0.225644 0.533963 0.71003} H120 280 0.0 -1 1 {} hw 0.42799999999999999 {0.714157 0.991162 0.401315} H122 281 0.0 -1 1 {} hw 0.42799999999999999 {0.701642 0.972622 0.610701} H123 282 0.0 -1 1 {} hw 0.42799999999999999 {0.286105 0.508841 0.401335} H125 283 0.0 -1 1 {} hw 0.42799999999999999 {0.2982 0.527493 0.610646} H126 284 0.0 -1 1 {} hw 0.42799999999999999 {0.298459 0.0273823 0.389353} H127 285 0.0 -1 1 {} hw 0.42799999999999999 {0.285939 0.00884165 0.598747} H128 286 0.0 -1 1 {} hw 0.42799999999999999 {0.701876 0.472507 0.389405} H130 287 0.0 -1 1 {} hw 0.42799999999999999 {0.713966 0.491158 0.598718} H131 288 0.0 -1 1 {} hw 0.42799999999999999 {0.218863 0.97275 0.296418} H133 289 0.0 -1 1 {} hw 0.42799999999999999 {0.204114 0.990912 0.50718} H134 290 0.0 -1 1 {} hw 0.42799999999999999 {0.215195 0.978814 0.702968} H135 291 0.0 -1 1 {} hw 0.42799999999999999 {0.78168 0.527588 0.296417} H136 292 0.0 -1 1 {} hw 0.42799999999999999 {0.795966 0.509134 0.507205} H137 293 0.0 -1 1 {} hw 0.42799999999999999 {0.784358 0.521072 0.702752} H138 294 0.0 -1 1 {} hw 0.42799999999999999 {0.784934 0.021194 0.297084} H139 295 0.0 -1 1 {} hw 0.42799999999999999 {0.795982 0.00909524 0.492873} H140 296 0.0 -1 1 {} hw 0.42799999999999999 {0.781274 0.0272509 0.703635} H141 297 0.0 -1 1 {} hw 0.42799999999999999 {0.215705 0.478926 0.297295} H142 298 0.0 -1 1 {} hw 0.42799999999999999 {0.20411 0.490872 0.492843} H143 299 0.0 -1 1 {} hw 0.42799999999999999 {0.218394 0.472412 0.703632} H144 300 0.0 -1 8 {} o* -0.85599999999999998 {0.888324 0.287664 0.433107} O170 301 0.0 -1 8 {} o* -0.85599999999999998 {0.89051 0.288023 0.627221} O171 302 0.0 -1 8 {} o* -0.85599999999999998 {0.111901 0.212289 0.433101} O173 303 0.0 -1 8 {} o* -0.85599999999999998 {0.109241 0.211793 0.627293} O174 304 0.0 -1 8 {} o* -0.85599999999999998 {0.109583 0.711975 0.372826} O175 305 0.0 -1 8 {} o* -0.85599999999999998 {0.111741 0.712337 0.566946} O176 306 0.0 -1 8 {} o* -0.85599999999999998 {0.890867 0.788205 0.372755} O178 307 0.0 -1 8 {} o* -0.85599999999999998 {0.888187 0.78772 0.56695} O179 308 0.0 -1 8 {} o* -0.85599999999999998 {0.408955 0.292962 0.325761} O181 309 0.0 -1 8 {} o* -0.85599999999999998 {0.390516 0.291561 0.532013} O182 310 0.0 -1 8 {} o* -0.85599999999999998 {0.388675 0.286166 0.738674} O183 311 0.0 -1 8 {} o* -0.85599999999999998 {0.590928 0.206754 0.325661} O184 312 0.0 -1 8 {} o* -0.85599999999999998 {0.609564 0.208384 0.532037} O185 313 0.0 -1 8 {} o* -0.85599999999999998 {0.612376 0.214007 0.73859} O186 314 0.0 -1 8 {} o* -0.85599999999999998 {0.611443 0.713841 0.261378} O187 315 0.0 -1 8 {} o* -0.85599999999999998 {0.609575 0.708446 0.468038} O188 316 0.0 -1 8 {} o* -0.85599999999999998 {0.591081 0.707022 0.674294} O189 317 0.0 -1 8 {} o* -0.85599999999999998 {0.387766 0.786003 0.261456} O190 318 0.0 -1 8 {} o* -0.85599999999999998 {0.390537 0.791619 0.468017} O191 319 0.0 -1 8 {} o* -0.85599999999999998 {0.409113 0.793227 0.674381} O192 320 0.0 -1 1 {} hw 0.42799999999999999 {0.822808 0.315898 0.431377} H146 321 0.0 -1 1 {} hw 0.42799999999999999 {0.829618 0.317486 0.625145} H147 322 0.0 -1 1 {} hw 0.42799999999999999 {0.177424 0.18407 0.431378} H149 323 0.0 -1 1 {} hw 0.42799999999999999 {0.170293 0.182371 0.625239} H150 324 0.0 -1 1 {} hw 0.42799999999999999 {0.170469 0.682509 0.3749} H151 325 0.0 -1 1 {} hw 0.42799999999999999 {0.177259 0.684105 0.568673} H152 326 0.0 -1 1 {} hw 0.42799999999999999 {0.829822 0.817628 0.374813} H154 327 0.0 -1 1 {} hw 0.42799999999999999 {0.822666 0.81594 0.568675} H155 328 0.0 -1 1 {} hw 0.42799999999999999 {0.334624 0.317277 0.328147} H157 329 0.0 -1 1 {} hw 0.42799999999999999 {0.329184 0.320626 0.528275} H158 330 0.0 -1 1 {} hw 0.42799999999999999 {0.325026 0.315224 0.730864} H159 331 0.0 -1 1 {} hw 0.42799999999999999 {0.665687 0.182642 0.328064} H160 332 0.0 -1 1 {} hw 0.42799999999999999 {0.670861 0.179315 0.528255} H161 333 0.0 -1 1 {} hw 0.42799999999999999 {0.675135 0.184613 0.730812} H162 334 0.0 -1 1 {} hw 0.42799999999999999 {0.675069 0.684774 0.269186} H163 335 0.0 -1 1 {} hw 0.42799999999999999 {0.670905 0.67938 0.471776} H164 336 0.0 -1 1 {} hw 0.42799999999999999 {0.665434 0.682717 0.671905} H165 337 0.0 -1 1 {} hw 0.42799999999999999 {0.324989 0.815391 0.269236} H166 338 0.0 -1 1 {} hw 0.42799999999999999 {0.329242 0.820689 0.471797} H167 339 0.0 -1 1 {} hw 0.42799999999999999 {0.33439 0.817356 0.671982} H168 340 0.0 -1 1 {} hw 0.42799999999999999 {0.949148 0.307657 0.456737} H170 341 0.0 -1 1 {} hw 0.42799999999999999 {0.943406 0.304016 0.653411} H171 342 0.0 -1 1 {} hw 0.42799999999999999 {0.0510344 0.192283 0.45672} H173 343 0.0 -1 1 {} hw 0.42799999999999999 {0.0562248 0.195758 0.653458} H174 344 0.0 -1 1 {} hw 0.42799999999999999 {0.0566817 0.695984 0.346637} H175 345 0.0 -1 1 {} hw 0.42799999999999999 {0.0509257 0.692348 0.543314} H176 346 0.0 -1 1 {} hw 0.42799999999999999 {0.94389 0.804243 0.346593} H178 347 0.0 -1 1 {} hw 0.42799999999999999 {0.949049 0.807725 0.543331} H179 348 0.0 -1 1 {} hw 0.42799999999999999 {0.453211 0.302946 0.353901} H181 349 0.0 -1 1 {} hw 0.42799999999999999 {0.443473 0.309449 0.557293} H182 350 0.0 -1 1 {} hw 0.42799999999999999 {0.331312 0.271541 0.76191} H183 351 0.0 -1 1 {} hw 0.42799999999999999 {0.54697 0.196859 0.353847} H184 352 0.0 -1 1 {} hw 0.42799999999999999 {0.556635 0.190461 0.557313} H185 353 0.0 -1 1 {} hw 0.42799999999999999 {0.670755 0.228768 0.7616} H186 354 0.0 -1 1 {} hw 0.42799999999999999 {0.668817 0.728463 0.238142} H187 355 0.0 -1 1 {} hw 0.42799999999999999 {0.556623 0.690557 0.442758} H188 356 0.0 -1 1 {} hw 0.42799999999999999 {0.546837 0.697046 0.646151} H189 357 0.0 -1 1 {} hw 0.42799999999999999 {0.329401 0.77124 0.238444} H190 358 0.0 -1 1 {} hw 0.42799999999999999 {0.443472 0.809541 0.442742} H191 359 0.0 -1 1 {} hw 0.42799999999999999 {0.453089 0.803128 0.646199} H192 360 0.0 -1 8 {} o* -0.85599999999999998 {0.38537 0.290556 0.238701} O193 361 0.0 -1 8 {} o* -0.85599999999999998 {0.389697 0.282432 0.445021} O194 362 0.0 -1 8 {} o* -0.85599999999999998 {0.414967 0.29764 0.649837} O195 363 0.0 -1 8 {} o* -0.85599999999999998 {0.61369 0.209172 0.238605} O196 364 0.0 -1 8 {} o* -0.85599999999999998 {0.610598 0.217488 0.445049} O197 365 0.0 -1 8 {} o* -0.85599999999999998 {0.585385 0.202426 0.649799} O198 366 0.0 -1 8 {} o* -0.85599999999999998 {0.585129 0.702364 0.350214} O199 367 0.0 -1 8 {} o* -0.85599999999999998 {0.610384 0.717562 0.555033} O200 368 0.0 -1 8 {} o* -0.85599999999999998 {0.614585 0.709412 0.761354} O201 369 0.0 -1 8 {} o* -0.85599999999999998 {0.414739 0.797585 0.350253} O202 370 0.0 -1 8 {} o* -0.85599999999999998 {0.389478 0.782509 0.555003} O203 371 0.0 -1 8 {} o* -0.85599999999999998 {0.386275 0.790803 0.761439} O204 372 0.0 -1 8 {} o* -0.85599999999999998 {0.899717 0.289767 0.346796} O205 373 0.0 -1 8 {} o* -0.85599999999999998 {0.89286 0.284337 0.537939} O206 374 0.0 -1 8 {} o* -0.85599999999999998 {0.100637 0.210231 0.346832} O208 375 0.0 -1 8 {} o* -0.85599999999999998 {0.107241 0.215402 0.537988} O209 376 0.0 -1 8 {} o* -0.85599999999999998 {0.107249 0.715662 0.462108} O212 377 0.0 -1 8 {} o* -0.85599999999999998 {0.100348 0.710233 0.653255} O213 378 0.0 -1 8 {} o* -0.85599999999999998 {0.892861 0.784596 0.462063} O215 379 0.0 -1 8 {} o* -0.85599999999999998 {0.899439 0.789771 0.653224} O216 380 0.0 -1 1 {} hw 0.42799999999999999 {0.323698 0.280369 0.215506} H193 381 0.0 -1 1 {} hw 0.42799999999999999 {0.445134 0.298475 0.419392} H194 382 0.0 -1 1 {} hw 0.42799999999999999 {0.45727 0.310895 0.622185} H195 383 0.0 -1 1 {} hw 0.42799999999999999 {0.673622 0.218952 0.215} H196 384 0.0 -1 1 {} hw 0.42799999999999999 {0.555192 0.201443 0.419415} H197 385 0.0 -1 1 {} hw 0.42799999999999999 {0.542926 0.189093 0.622179} H198 386 0.0 -1 1 {} hw 0.42799999999999999 {0.542824 0.689107 0.377865} H199 387 0.0 -1 1 {} hw 0.42799999999999999 {0.554931 0.701522 0.580661} H200 388 0.0 -1 1 {} hw 0.42799999999999999 {0.676133 0.719567 0.784579} H201 389 0.0 -1 1 {} hw 0.42799999999999999 {0.457196 0.810915 0.377875} H202 390 0.0 -1 1 {} hw 0.42799999999999999 {0.44489 0.798556 0.580635} H203 391 0.0 -1 1 {} hw 0.42799999999999999 {0.326215 0.780995 0.785015} H204 392 0.0 -1 1 {} hw 0.42799999999999999 {0.950611 0.306057 0.320214} H205 393 0.0 -1 1 {} hw 0.42799999999999999 {0.950915 0.305491 0.51486} H206 394 0.0 -1 1 {} hw 0.42799999999999999 {0.0500721 0.194004 0.320201} H208 395 0.0 -1 1 {} hw 0.42799999999999999 {0.0492471 0.194343 0.514857} H209 396 0.0 -1 1 {} hw 0.42799999999999999 {0.0491925 0.69451 0.485187} H212 397 0.0 -1 1 {} hw 0.42799999999999999 {0.0494594 0.693941 0.679836} H213 398 0.0 -1 1 {} hw 0.42799999999999999 {0.950856 0.80566 0.485191} H215 399 0.0 -1 1 {} hw 0.42799999999999999 {0.95002 0.806001 0.679853} H216 400 0.0 -1 1 {} hw 0.42799999999999999 {0.33622 0.323056 0.247656} H217 401 0.0 -1 1 {} hw 0.42799999999999999 {0.295641 0.282616 0.433872} H218 402 0.0 -1 1 {} hw 0.42799999999999999 {0.338727 0.321105 0.649016} H219 403 0.0 -1 1 {} hw 0.42799999999999999 {0.663877 0.176992 0.247611} H220 404 0.0 -1 1 {} hw 0.42799999999999999 {0.704672 0.217311 0.433908} H221 405 0.0 -1 1 {} hw 0.42799999999999999 {0.661451 0.178887 0.648993} H222 406 0.0 -1 1 {} hw 0.42799999999999999 {0.661362 0.678894 0.351034} H223 407 0.0 -1 1 {} hw 0.42799999999999999 {0.704433 0.717371 0.566185} H224 408 0.0 -1 1 {} hw 0.42799999999999999 {0.663801 0.676934 0.752394} H225 409 0.0 -1 1 {} hw 0.42799999999999999 {0.338673 0.821124 0.351061} H226 410 0.0 -1 1 {} hw 0.42799999999999999 {0.295406 0.782689 0.566145} H227 411 0.0 -1 1 {} hw 0.42799999999999999 {0.336158 0.823007 0.752436} H228 412 0.0 -1 1 {} hw 0.42799999999999999 {0.832192 0.316833 0.34837} H229 413 0.0 -1 1 {} hw 0.42799999999999999 {0.800066 0.287339 0.527124} H230 414 0.0 -1 1 {} hw 0.42799999999999999 {0.168185 0.183183 0.348432} H232 415 0.0 -1 1 {} hw 0.42799999999999999 {0.20005 0.212346 0.52721} H233 416 0.0 -1 1 {} hw 0.42799999999999999 {0.200045 0.712659 0.47292} H236 417 0.0 -1 1 {} hw 0.42799999999999999 {0.167864 0.683164 0.651676} H237 418 0.0 -1 1 {} hw 0.42799999999999999 {0.800051 0.787642 0.472846} H239 419 0.0 -1 1 {} hw 0.42799999999999999 {0.831895 0.816824 0.651624} H240 420 0.0 -1 8 {} o* -0.85599999999999998 {0.314863 0.184826 0.284159} O217 421 0.0 -1 8 {} o* -0.85599999999999998 {0.338819 0.17866 0.495665} O218 422 0.0 -1 8 {} o* -0.85599999999999998 {0.312783 0.186675 0.690944} O219 423 0.0 -1 8 {} o* -0.85599999999999998 {0.684419 0.314937 0.284198} O220 424 0.0 -1 8 {} o* -0.85599999999999998 {0.661416 0.321256 0.49567} O221 425 0.0 -1 8 {} o* -0.85599999999999998 {0.687776 0.313484 0.690915} O222 426 0.0 -1 8 {} o* -0.85599999999999998 {0.687327 0.813336 0.309109} O223 427 0.0 -1 8 {} o* -0.85599999999999998 {0.661282 0.821342 0.50439} O224 428 0.0 -1 8 {} o* -0.85599999999999998 {0.685123 0.815154 0.715895} O225 429 0.0 -1 8 {} o* -0.85599999999999998 {0.312333 0.686529 0.309135} O226 430 0.0 -1 8 {} o* -0.85599999999999998 {0.338679 0.678744 0.504381} O227 431 0.0 -1 8 {} o* -0.85599999999999998 {0.315576 0.685044 0.715852} O228 432 0.0 -1 8 {} o* -0.85599999999999998 {0.83787 0.180012 0.394974} O229 433 0.0 -1 8 {} o* -0.85599999999999998 {0.852031 0.176337 0.585816} O230 434 0.0 -1 8 {} o* -0.85599999999999998 {0.162385 0.319976 0.394998} O232 435 0.0 -1 8 {} o* -0.85599999999999998 {0.14782 0.323423 0.585768} O233 436 0.0 -1 8 {} o* -0.85599999999999998 {0.148069 0.82366 0.414236} O236 437 0.0 -1 8 {} o* -0.85599999999999998 {0.162206 0.81999 0.60508} O237 438 0.0 -1 8 {} o* -0.85599999999999998 {0.85227 0.676577 0.414281} O239 439 0.0 -1 8 {} o* -0.85599999999999998 {0.837677 0.680032 0.605051} O240 440 0.0 -1 1 {} hw 0.42799999999999999 {0.214561 0.180928 0.277048} H241 441 0.0 -1 1 {} hw 0.42799999999999999 {0.304336 0.1577 0.470084} H242 442 0.0 -1 1 {} hw 0.42799999999999999 {0.295329 0.163986 0.66493} H243 443 0.0 -1 1 {} hw 0.42799999999999999 {0.784608 0.318809 0.277003} H244 444 0.0 -1 1 {} hw 0.42799999999999999 {0.695943 0.342208 0.470091} H245 445 0.0 -1 1 {} hw 0.42799999999999999 {0.705138 0.336135 0.664878} H246 446 0.0 -1 1 {} hw 0.42799999999999999 {0.704786 0.83602 0.335125} H247 447 0.0 -1 1 {} hw 0.42799999999999999 {0.69576 0.842304 0.529971} H248 448 0.0 -1 1 {} hw 0.42799999999999999 {0.785416 0.819052 0.723013} H249 449 0.0 -1 1 {} hw 0.42799999999999999 {0.294974 0.663876 0.335171} H250 450 0.0 -1 1 {} hw 0.42799999999999999 {0.304139 0.657794 0.52996} H251 451 0.0 -1 1 {} hw 0.42799999999999999 {0.215379 0.681169 0.72304} H252 452 0.0 -1 1 {} hw 0.42799999999999999 {0.801751 0.159913 0.36872} H253 453 0.0 -1 1 {} hw 0.42799999999999999 {0.806844 0.152376 0.56295} H254 454 0.0 -1 1 {} hw 0.42799999999999999 {0.198815 0.340105 0.368784} H256 455 0.0 -1 1 {} hw 0.42799999999999999 {0.193015 0.347429 0.562921} H257 456 0.0 -1 1 {} hw 0.42799999999999999 {0.193249 0.847622 0.437102} H260 457 0.0 -1 1 {} hw 0.42799999999999999 {0.19834 0.840092 0.631332} H261 458 0.0 -1 1 {} hw 0.42799999999999999 {0.807068 0.652575 0.437129} H263 459 0.0 -1 1 {} hw 0.42799999999999999 {0.801252 0.6599 0.631264} H264 460 0.0 -1 1 {} hw 0.42799999999999999 {0.805958 0.148292 0.414786} H266 461 0.0 -1 1 {} hw 0.42799999999999999 {0.807864 0.154699 0.610103} H267 462 0.0 -1 1 {} hw 0.42799999999999999 {0.194252 0.351659 0.414842} H269 463 0.0 -1 1 {} hw 0.42799999999999999 {0.191864 0.345048 0.610074} H270 464 0.0 -1 1 {} hw 0.42799999999999999 {0.192239 0.845298 0.38995} H271 465 0.0 -1 1 {} hw 0.42799999999999999 {0.194123 0.851706 0.585267} H272 466 0.0 -1 1 {} hw 0.42799999999999999 {0.808214 0.654953 0.389976} H274 467 0.0 -1 1 {} hw 0.42799999999999999 {0.805824 0.648349 0.585205} H275 468 0.0 -1 1 {} hw 0.42799999999999999 {0.299097 0.163882 0.310838} H277 469 0.0 -1 1 {} hw 0.42799999999999999 {0.307176 0.148093 0.516362} H278 470 0.0 -1 1 {} hw 0.42799999999999999 {0.2123 0.184468 0.697534} H279 471 0.0 -1 1 {} hw 0.42799999999999999 {0.700452 0.335926 0.31085} H280 472 0.0 -1 1 {} hw 0.42799999999999999 {0.693086 0.351826 0.516361} H281 473 0.0 -1 1 {} hw 0.42799999999999999 {0.788311 0.315645 0.697442} H282 474 0.0 -1 1 {} hw 0.42799999999999999 {0.787808 0.815544 0.302516} H283 475 0.0 -1 1 {} hw 0.42799999999999999 {0.692939 0.851906 0.483693} H284 476 0.0 -1 1 {} hw 0.42799999999999999 {0.700908 0.836101 0.689217} H285 477 0.0 -1 1 {} hw 0.42799999999999999 {0.211799 0.684364 0.302607} H286 478 0.0 -1 1 {} hw 0.42799999999999999 {0.307008 0.648175 0.48369} H287 479 0.0 -1 1 {} hw 0.42799999999999999 {0.299563 0.664057 0.689198} 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