2p-tol : Al 0.193118000 1.484445000 -0.026441000 Al 1.174179000 -0.965053000 -0.125846000 Al -1.413233000 -0.602564000 0.076748000 N 2.382795000 -2.038813000 1.010759000 N 0.268332000 3.132648000 -1.118116000 N 0.538761000 3.102563000 1.060369000 N 2.619542000 -1.812959000 -1.160880000 N -2.849739000 -1.390629000 -1.027385000 N -2.964652000 -1.154969000 1.152689000 C 0.508040000 3.862246000 -0.029836000 C 3.140226000 -2.326199000 -0.047559000 C -0.152844000 3.655935000 -2.362605000 C -3.591125000 -1.594550000 0.061513000 C 3.296973000 -1.682258000 -2.395253000 C 4.414994000 -3.082656000 0.013723000 C 0.631877000 3.399764000 -3.507474000 C 0.944635000 3.527160000 2.346336000 C 0.728012000 5.328739000 -0.043214000 C 4.482565000 -0.927645000 -2.507053000 C -4.701129000 -0.081706000 2.527789000 C -0.015501000 3.528451000 3.383075000 C 2.467944000 -2.677567000 2.268788000 C -3.565925000 -0.909618000 2.406135000 C -1.375171000 4.354001000 -2.471980000 C 2.642122000 -1.858635000 3.410933000 C 2.727918000 -2.307501000 -3.528128000 C 5.111982000 -0.181234000 -1.341785000 H 4.536551000 -0.393808000 -0.429778000 C 1.447992000 5.916466000 -1.090310000 H 1.842372000 5.291405000 -1.892547000 C 2.285578000 3.882484000 2.603176000 C 0.397244000 3.851466000 4.677477000 H -0.334095000 3.839473000 5.488384000 C -3.053330000 -2.013674000 -2.281572000 C 5.267023000 -2.931431000 1.114311000 H 4.991031000 -2.255870000 1.925308000 C -1.476319000 3.190177000 3.128722000 H -1.626569000 3.146854000 2.038487000 C -1.800840000 4.758944000 -3.741616000 H -2.749718000 5.291634000 -3.838286000 C -5.312643000 0.684763000 1.364556000 H -4.818518000 0.382670000 0.431736000 C -2.955594000 -1.471965000 3.552074000 C 0.238373000 6.140141000 0.986835000 H -0.328679000 5.696924000 1.805470000 C 3.357321000 3.918997000 1.524467000 H 2.903358000 3.627447000 0.566210000 C 1.954927000 2.665098000 -3.404497000 H 2.260229000 2.695583000 -2.347179000 C -4.931856000 -2.231499000 0.054526000 C -3.241329000 -1.184332000 -3.410579000 C 3.357835000 -2.160221000 -4.764740000 H 2.926360000 -2.635977000 -5.646519000 C 2.644404000 4.219829000 3.913245000 H 3.679245000 4.498769000 4.125323000 C -3.036314000 -3.416853000 -2.419121000 C 0.158513000 3.810723000 -4.755395000 H 0.752526000 3.600806000 -5.646875000 C 1.435832000 -3.094690000 -3.404575000 H 1.391758000 -3.489908000 -2.376610000 C -1.053431000 4.482413000 -4.880544000 H -1.410905000 4.795403000 -5.862562000 C -5.350719000 -3.027862000 1.126289000 H -4.690983000 -3.183726000 1.979704000 C 1.718289000 4.194204000 4.949178000 H 2.023194000 4.447340000 5.965576000 C 2.381020000 -4.079581000 2.401279000 C -5.251371000 0.109122000 3.801388000 H -6.135772000 0.741239000 3.907317000 C 5.085962000 -0.821353000 -3.766096000 H 6.004896000 -0.239355000 -3.866298000 C -3.527912000 -1.232353000 4.801920000 H -3.067800000 -1.657988000 5.693830000 C 4.533750000 -1.424135000 -4.889031000 H 5.017613000 -1.322149000 -5.861461000 C 6.469929000 -3.627927000 1.169545000 H 7.128592000 -3.493576000 2.029952000 C 1.675178000 7.288601000 -1.100339000 H 2.247495000 7.731704000 -1.917887000 C 2.774637000 -2.456813000 4.662839000 H 2.927753000 -1.833054000 5.543901000 C 0.465176000 7.512673000 0.964387000 H 0.075887000 8.133429000 1.773925000 C 4.789732000 -3.941549000 -1.026027000 H 4.133436000 -4.071108000 -1.887735000 C -2.788088000 -4.366695000 -1.260292000 H -2.683545000 -3.777571000 -0.339138000 C -4.680779000 -0.460521000 4.930952000 H -5.121062000 -0.291644000 5.914700000 C -6.606904000 -3.627865000 1.105144000 H -6.917340000 -4.249063000 1.947519000 C 1.185523000 8.110143000 -0.077056000 C 2.708041000 -3.841732000 4.804615000 H 2.810048000 -4.299283000 5.789643000 C -3.404541000 -1.774574000 -4.664241000 H -3.548037000 -1.141260000 -5.540668000 C -5.800846000 -2.035942000 -1.027464000 H -5.496308000 -1.402123000 -1.861054000 C -3.216663000 -3.964222000 -3.695374000 H -3.204809000 -5.050250000 -3.812115000 C 2.628068000 -0.352644000 3.249969000 H 3.133666000 -0.117670000 2.298809000 C -2.278633000 4.643386000 -1.284474000 H -1.792238000 4.281483000 -0.368423000 C -1.722990000 -2.350704000 3.415006000 H -1.068689000 -1.891238000 2.655692000 C 2.166382000 -5.028920000 1.231378000 H 2.175268000 -4.452894000 0.296629000 C 4.471139000 2.909229000 1.818564000 H 4.911809000 3.080423000 2.812776000 H 5.277786000 3.003010000 1.077655000 H 4.088640000 1.877969000 1.785434000 C -3.217546000 0.323848000 -3.261306000 H -3.584036000 0.560412000 -2.248830000 C 6.852279000 -4.493317000 0.136864000 C 2.500093000 -4.633317000 3.683643000 H 2.434835000 -5.717575000 3.798210000 C -3.395329000 -3.159302000 -4.812711000 H -3.528400000 -3.607552000 -5.798346000 C 5.993751000 -4.635749000 -0.960321000 H 6.273483000 -5.302673000 -1.778315000 C 5.030149000 1.330691000 -1.571726000 H 5.490724000 1.871507000 -0.733577000 H 3.982836000 1.655830000 -1.658633000 H 5.562265000 1.618374000 -2.491868000 C -5.049650000 2.185801000 1.528852000 H -5.457582000 2.554482000 2.483210000 H -5.528994000 2.748589000 0.714472000 H -3.969253000 2.398608000 1.508070000 C -7.477593000 -3.446383000 0.024969000 C -3.952694000 -5.345607000 -1.071196000 H -4.916544000 -4.819896000 -1.008587000 H -3.816340000 -5.929812000 -0.148277000 H -4.006306000 -6.056406000 -1.910481000 C 3.061946000 3.319618000 -4.233985000 H 4.021635000 2.822638000 -4.030577000 H 3.168324000 4.389834000 -4.001034000 H 2.869422000 3.225415000 -5.313192000 C 3.931314000 5.332838000 1.368756000 H 3.135862000 6.076599000 1.215127000 H 4.616619000 5.376312000 0.508768000 H 4.500400000 5.624198000 2.265303000 C -1.468857000 -5.120185000 -1.454377000 H -1.480418000 -5.700864000 -2.389987000 H -1.304709000 -5.821851000 -0.624668000 H -0.618600000 -4.421269000 -1.489811000 C -6.811476000 0.403313000 1.215133000 H -7.015566000 -0.676225000 1.167275000 H -7.198899000 0.869527000 0.296766000 H -7.377787000 0.820294000 2.062115000 C 6.561734000 -0.619604000 -1.105903000 H 7.207946000 -0.298926000 -1.937715000 H 6.644216000 -1.712147000 -1.013149000 H 6.955242000 -0.163266000 -0.184959000 C 3.279554000 -6.080772000 1.150137000 H 3.206813000 -6.793547000 1.986045000 H 4.276954000 -5.619263000 1.182602000 H 3.194931000 -6.656231000 0.215961000 C 1.787423000 1.194754000 -3.795688000 H 1.385354000 1.109840000 -4.818509000 H 1.091080000 0.682663000 -3.115190000 H 2.750675000 0.664929000 -3.759197000 C -2.521519000 6.148322000 -1.123894000 H -3.122620000 6.541109000 -1.958515000 H -1.573164000 6.704820000 -1.095788000 H -3.070921000 6.352255000 -0.192154000 C -7.055075000 -2.635062000 -1.036702000 H -7.723091000 -2.467638000 -1.884167000 C 1.404050000 9.598895000 -0.111570000 H 2.354017000 9.850519000 -0.601484000 H 1.410293000 10.024155000 0.900647000 H 0.598579000 10.094006000 -0.675907000 C -3.600816000 3.880673000 -1.407430000 H -4.249262000 4.102790000 -0.548222000 H -3.425675000 2.793467000 -1.434369000 H -4.141040000 4.169348000 -2.322581000 C 0.793044000 -5.699181000 1.314190000 H 0.674223000 -6.428111000 0.498448000 H -0.008448000 -4.952539000 1.227841000 H 0.668713000 -6.233908000 2.268915000 C 0.234793000 -2.164076000 -3.595281000 H 0.207691000 -1.384052000 -2.819140000 H -0.711467000 -2.722560000 -3.543751000 H 0.290882000 -1.660734000 -4.573985000 C -1.832411000 1.813141000 3.697331000 H -1.570273000 1.748664000 4.765886000 H -1.297579000 1.012561000 3.165372000 H -2.909845000 1.614262000 3.599725000 C -8.824524000 -4.116720000 -0.011439000 H -9.592298000 -3.441785000 -0.413638000 H -9.136210000 -4.441152000 0.989691000 H -8.795668000 -5.006221000 -0.659403000 C 1.343973000 -4.280418000 -4.364923000 H 1.232023000 -3.950155000 -5.408593000 H 0.456771000 -4.882972000 -4.121218000 H 2.232316000 -4.926490000 -4.302965000 C 8.138581000 -5.270581000 0.217654000 H 8.534031000 -5.491250000 -0.782561000 H 7.977131000 -6.231079000 0.731244000 H 8.902568000 -4.718438000 0.780827000 C -2.415551000 4.264122000 3.688151000 H -3.452894000 4.044401000 3.396265000 H -2.158864000 5.266840000 3.314262000 H -2.383279000 4.296240000 4.787620000 C 3.331363000 0.411542000 4.368536000 H 3.339776000 1.485743000 4.133651000 H 4.369336000 0.072626000 4.504297000 H 2.802880000 0.298864000 5.327266000 C -1.776898000 0.828326000 -3.362029000 H -1.330774000 0.534947000 -4.325781000 H -1.147053000 0.404680000 -2.562334000 H -1.742398000 1.922848000 -3.282721000 C -0.911519000 -2.479442000 4.701945000 H -0.709003000 -1.499467000 5.159081000 H 0.051943000 -2.963297000 4.483765000 H -1.434268000 -3.100377000 5.446627000 C 1.178396000 0.123774000 3.129426000 H 0.650453000 -0.027379000 4.083422000 H 0.615993000 -0.440034000 2.363627000 H 1.139840000 1.192705000 2.885203000 C -4.102000000 1.061944000 -4.265647000 H -4.139247000 2.130179000 -4.006648000 H -5.128980000 0.667363000 -4.273336000 H -3.699403000 0.993778000 -5.287458000 C -2.098273000 -3.746368000 2.903253000 H -2.859181000 -4.201227000 3.557629000 H -1.214032000 -4.398556000 2.906038000 H -2.492997000 -3.712131000 1.877208000 2m-xyl: Al 0.191640000 1.478646000 -0.021988000 Al 1.175741000 -0.965367000 -0.131671000 Al -1.408735000 -0.607295000 0.077847000 N 2.380606000 -2.039936000 1.006360000 N 0.262523000 3.126297000 -1.112170000 N 0.537689000 3.094303000 1.066531000 N 2.622880000 -1.809631000 -1.164560000 N -2.843001000 -1.392654000 -1.028080000 N -2.961795000 -1.154533000 1.151982000 C 0.503131000 3.853738000 -0.023587000 C 3.139625000 -2.325462000 -0.050897000 C -0.149861000 3.654248000 -2.357510000 C -3.586942000 -1.592216000 0.059497000 C 3.302543000 -1.684662000 -2.398127000 C 4.414813000 -3.083142000 0.011004000 C 0.643587000 3.403586000 -3.497301000 C 0.943672000 3.524506000 2.350764000 C 0.719417000 5.321297000 -0.034273000 C 4.492397000 -0.936815000 -2.509898000 C -4.703018000 -0.084394000 2.523388000 C -0.015844000 3.532015000 3.387895000 C 2.467759000 -2.679123000 2.263924000 C -3.565774000 -0.909920000 2.404131000 C -1.370448000 4.354456000 -2.472054000 C 2.644926000 -1.860645000 3.405791000 C 2.734381000 -2.313828000 -3.529114000 C 5.125181000 -0.192950000 -1.344723000 H 4.546369000 -0.399844000 -0.433680000 C 1.455353000 5.902639000 -1.070550000 C 2.283812000 3.884956000 2.604041000 C 0.397318000 3.863908000 4.679956000 H -0.333609000 3.857172000 5.491280000 C -3.049098000 -2.015401000 -2.281953000 C 5.264131000 -2.917758000 1.108962000 C -1.477224000 3.195613000 3.134564000 H -1.628029000 3.154669000 2.044253000 C -1.786765000 4.765605000 -3.742678000 H -2.734151000 5.300194000 -3.843577000 C -5.311264000 0.683742000 1.359473000 H -4.813219000 0.384324000 0.428027000 C -2.958813000 -1.473879000 3.550965000 C 0.200668000 6.120291000 0.987844000 C 3.352038000 3.924819000 1.522037000 H 2.895940000 3.631852000 0.565381000 C 1.967705000 2.671209000 -3.388654000 H 2.258018000 2.682449000 -2.326700000 C -4.932009000 -2.222328000 0.050227000 C -3.236091000 -1.185823000 -3.410770000 C 3.368933000 -2.176298000 -4.764563000 H 2.938385000 -2.655329000 -5.645045000 C 2.643757000 4.229853000 3.911822000 H 3.678213000 4.512421000 4.120982000 C -3.040163000 -3.418713000 -2.418279000 C 0.179893000 3.821594000 -4.746694000 H 0.780558000 3.615942000 -5.634797000 C 1.441386000 -3.099431000 -3.403828000 H 1.394146000 -3.486834000 -2.372987000 C -1.030923000 4.494328000 -4.877479000 H -1.380985000 4.812365000 -5.860552000 C -5.342292000 -3.024931000 1.117889000 C 1.718479000 4.209160000 4.948721000 H 2.023868000 4.468575000 5.963402000 C 2.384326000 -4.081399000 2.395258000 C -5.260048000 0.100325000 3.794853000 H -6.146366000 0.730129000 3.898744000 C 5.100237000 -0.839947000 -3.767495000 H 6.022789000 -0.263661000 -3.867619000 C -3.538216000 -1.240915000 4.798886000 H -3.081218000 -1.668544000 5.691467000 C 4.548720000 -1.446273000 -4.889060000 H 5.036152000 -1.351765000 -5.860483000 C 6.475225000 -3.609095000 1.180502000 C 1.686366000 7.279485000 -1.091253000 C 2.784848000 -2.459676000 4.656561000 H 2.940712000 -1.836466000 5.537554000 C 0.407078000 7.501243000 0.983568000 C 4.773474000 -3.949421000 -1.025361000 C -2.799104000 -4.368892000 -1.258168000 H -2.689777000 -3.779076000 -0.338083000 C -4.694169000 -0.473168000 4.925116000 H -5.139901000 -0.309393000 5.907289000 C -6.601989000 -3.629560000 1.109968000 C 1.153538000 8.060424000 -0.059306000 C 2.722146000 -3.845056000 4.797243000 H 2.829790000 -4.303297000 5.781369000 C -3.407235000 -1.776044000 -4.663443000 H -3.550782000 -1.142716000 -5.539846000 C -5.793897000 -2.007621000 -1.030710000 C -3.227068000 -3.966131000 -3.693533000 H -3.222027000 -5.052313000 -3.809317000 C 2.628643000 -0.354574000 3.245367000 H 3.132380000 -0.118642000 2.293422000 C -2.278745000 4.643760000 -1.288136000 H -1.797501000 4.277855000 -0.371019000 C -1.722408000 -2.347844000 3.417150000 H -1.067598000 -1.884809000 2.660520000 C 2.169706000 -5.029842000 1.224550000 H 2.173704000 -4.452092000 0.290928000 C 4.470900000 2.919427000 1.811375000 H 4.915619000 3.092743000 2.803455000 H 5.273369000 3.015617000 1.066168000 H 4.091973000 1.886756000 1.780419000 C -3.207388000 0.322256000 -3.261402000 H -3.573176000 0.559557000 -2.248787000 C 6.812119000 -4.473217000 0.132657000 C 2.510385000 -4.636172000 3.676448000 H 2.448430000 -5.720724000 3.790172000 C -3.405737000 -3.161047000 -4.810885000 H -3.544604000 -3.609326000 -5.795721000 C 5.976210000 -4.657418000 -0.974218000 C 5.056482000 1.319366000 -1.576346000 H 5.521391000 1.856951000 -0.738354000 H 4.012253000 1.654039000 -1.664397000 H 5.591719000 1.601436000 -2.496472000 C -5.050956000 2.184890000 1.527653000 H -5.461530000 2.551045000 2.481873000 H -5.529133000 2.748738000 0.713270000 H -3.970822000 2.399324000 1.509707000 C -7.443586000 -3.404612000 0.016216000 C -3.972361000 -5.337325000 -1.067001000 H -4.932205000 -4.803576000 -1.011311000 H -3.843144000 -5.916850000 -0.139766000 H -4.028586000 -6.053443000 -1.901609000 C 3.082796000 3.347960000 -4.189405000 H 4.042063000 2.850344000 -3.985681000 H 3.182378000 4.413080000 -3.930332000 H 2.903486000 3.278532000 -5.272755000 C 3.918561000 5.341702000 1.364210000 H 3.117760000 6.082101000 1.221690000 H 4.594409000 5.390223000 0.496659000 H 4.496637000 5.633043000 2.255020000 C -1.486319000 -5.133919000 -1.450971000 H -1.504404000 -5.718917000 -2.383810000 H -1.326294000 -5.833124000 -0.618232000 H -0.630248000 -4.442420000 -1.491388000 C -6.809117000 0.399767000 1.203040000 H -7.011336000 -0.680368000 1.159155000 H -7.191530000 0.861591000 0.280014000 H -7.381074000 0.820527000 2.044394000 C 6.571026000 -0.643032000 -1.105109000 H 7.223360000 -0.321418000 -1.931819000 H 6.645215000 -1.736724000 -1.018905000 H 6.963344000 -0.194472000 -0.179475000 C 3.287274000 -6.076895000 1.137896000 H 3.215379000 -6.796574000 1.968004000 H 4.282895000 -5.612078000 1.175655000 H 3.205816000 -6.645891000 0.199068000 C 1.812399000 1.207674000 -3.810023000 H 1.427791000 1.139968000 -4.840796000 H 1.106521000 0.681003000 -3.150776000 H 2.776761000 0.680034000 -3.766856000 C -2.516450000 6.149507000 -1.124558000 H -3.119643000 6.545427000 -1.956236000 H -1.566227000 6.703062000 -1.099141000 H -3.062412000 6.353070000 -0.190341000 C -7.060039000 -2.593774000 -1.058627000 C -3.603102000 3.886145000 -1.418557000 H -4.254659000 4.108573000 -0.561694000 H -3.431676000 2.798413000 -1.447070000 H -4.138314000 4.178620000 -2.335463000 C 0.799246000 -5.705768000 1.309725000 H 0.680878000 -6.432975000 0.492326000 H -0.005660000 -4.962351000 1.227704000 H 0.679885000 -6.243591000 2.263375000 C 0.240650000 -2.170544000 -3.604552000 H 0.212576000 -1.384101000 -2.834945000 H -0.705975000 -2.728339000 -3.549598000 H 0.298214000 -1.675411000 -4.587365000 C -1.834849000 1.817742000 3.700643000 H -1.572281000 1.751421000 4.768986000 H -1.300845000 1.017719000 3.166973000 H -2.912564000 1.619790000 3.602895000 C 1.353405000 -4.292763000 -4.355106000 H 1.245674000 -3.971053000 -5.401884000 H 0.465612000 -4.893912000 -4.110105000 H 2.241913000 -4.937897000 -4.284284000 C -2.414851000 4.269770000 3.696572000 H -3.451926000 4.055356000 3.399719000 H -2.153092000 5.273974000 3.329399000 H -2.386674000 4.295639000 4.796313000 C 3.333102000 0.410063000 4.362859000 H 3.339797000 1.484465000 4.128531000 H 4.371854000 0.072342000 4.496161000 H 2.806869000 0.296105000 5.322693000 C -1.765474000 0.823661000 -3.362064000 H -1.319182000 0.527719000 -4.324974000 H -1.136769000 0.400352000 -2.561077000 H -1.728892000 1.918269000 -3.284734000 C -0.914419000 -2.473820000 4.706693000 H -0.719308000 -1.493290000 5.165894000 H 0.052625000 -2.951840000 4.491100000 H -1.436055000 -3.098824000 5.448746000 C 1.178173000 0.120075000 3.127111000 H 0.650799000 -0.034974000 4.080792000 H 0.616631000 -0.442362000 2.359721000 H 1.137869000 1.189652000 2.886083000 C -4.090673000 1.062432000 -4.265228000 H -4.125519000 2.130761000 -4.006345000 H -5.118608000 0.669944000 -4.271890000 H -3.689176000 0.993138000 -5.287393000 C -2.089372000 -3.744765000 2.902715000 H -2.852015000 -4.203115000 3.552782000 H -1.202276000 -4.393116000 2.909651000 H -2.479100000 -3.711377000 1.874786000 H 1.325166000 9.140351000 -0.068909000 H -8.431446000 -3.873263000 0.001404000 H 7.757137000 -5.021308000 0.180379000 C 7.400426000 -3.397021000 2.349565000 H 6.835410000 -3.339522000 3.290078000 H 8.133562000 -4.209770000 2.432646000 H 7.955625000 -2.452825000 2.237706000 C 6.338048000 -5.614249000 -2.079344000 H 7.405034000 -5.870666000 -2.053777000 H 5.764317000 -6.549293000 -1.985868000 H 6.107308000 -5.181224000 -3.062522000 C -7.018443000 -4.514074000 2.255407000 H -8.083449000 -4.772642000 2.196167000 H -6.440568000 -5.450781000 2.252662000 H -6.834117000 -4.016782000 3.218179000 C -7.993330000 -2.328333000 -2.210383000 H -7.444104000 -2.301519000 -3.161508000 H -8.772509000 -3.098520000 -2.279898000 H -8.493306000 -1.355012000 -2.087574000 C -0.191560000 8.356854000 2.068665000 H -1.266497000 8.514182000 1.888928000 H -0.087500000 7.873235000 3.049965000 H 0.289268000 9.342612000 2.113694000 C 2.515286000 7.891575000 -2.189504000 H 3.587981000 7.728368000 -2.002482000 H 2.275558000 7.436867000 -3.160682000 H 2.348186000 8.974093000 -2.261821000 H -0.382594000 5.664181000 1.788905000 H 1.862480000 5.271447000 -1.862758000 H -4.672491000 -3.189789000 1.962941000 H -5.478123000 -1.368190000 -1.856893000 H 4.104000000 -4.082243000 -1.877609000 H 4.983189000 -2.234037000 1.912648000 p-tol dialumene: C -2.948433000 -3.152708000 -3.239024000 H -3.141334000 -3.135622000 -4.314237000 C -4.519499000 4.013268000 2.900217000 N -2.744011000 1.245971000 0.277075000 C -3.232034000 3.899248000 -0.698271000 H -3.277255000 2.998081000 -1.332284000 N -2.413098000 -0.805862000 -0.414379000 C -3.194557000 0.443004000 3.050897000 H -2.695814000 -0.128066000 2.254658000 C -2.172702000 0.589461000 4.183922000 C -4.223780000 4.384426000 1.590093000 H -4.467311000 5.392162000 1.250589000 C -2.886956000 -1.942427000 -2.535790000 C -2.238874000 -3.222976000 1.023535000 H -2.855175000 -2.411049000 1.445605000 C -2.474453000 -3.222207000 -0.477516000 C -4.195022000 2.737439000 3.343980000 H -4.407787000 2.456332000 4.378030000 C -3.588684000 1.804342000 2.495440000 C -3.115259000 -0.635331000 -3.277626000 H -3.040348000 0.194021000 -2.557871000 C -2.659003000 -4.524422000 1.703939000 C -4.418460000 -0.357187000 3.509579000 C -2.549298000 -4.401699000 -1.216949000 H -2.436593000 -5.363175000 -0.714961000 C -4.526542000 -0.584993000 -3.873507000 C -2.623991000 -1.992286000 -1.156197000 C -3.625005000 3.485423000 0.706953000 C -2.039463000 -0.399964000 -4.341799000 C -2.770601000 -4.369643000 -2.594190000 C -3.331733000 2.182020000 1.161738000 C -3.328946000 0.094557000 -0.077227000 C -0.779223000 -2.899677000 1.351970000 C -4.149245000 4.954196000 -1.314466000 C -1.775962000 4.376370000 -0.688890000 C -4.793126000 -0.103843000 -0.188816000 C -5.375802000 -1.359717000 0.028202000 C -5.612600000 0.966757000 -0.570220000 C -6.746803000 -1.532471000 -0.127954000 H -4.757030000 -2.205524000 0.326329000 C -6.980391000 0.780155000 -0.737273000 H -5.171780000 1.946380000 -0.753669000 H -7.185603000 -2.516676000 0.047952000 H -7.602329000 1.622073000 -1.047948000 C -7.571911000 -0.469002000 -0.514659000 C -9.057681000 -0.658550000 -0.658415000 H -9.561660000 -0.492635000 0.306451000 H -9.299100000 -1.678136000 -0.986967000 H -9.482208000 0.051053000 -1.380635000 Al -1.029300000 0.627609000 -0.449056000 H -3.882653000 5.116417000 -2.368727000 H -4.053151000 5.923313000 -0.802697000 H -5.205726000 4.649865000 -1.268691000 H -4.993768000 4.725481000 3.576915000 H -1.116784000 3.618892000 -0.237229000 H -1.681771000 5.292974000 -0.086439000 H -1.416981000 4.587076000 -1.707120000 H -4.119353000 -1.364275000 3.839133000 H -5.157846000 -0.460069000 2.701887000 H -4.914771000 0.138071000 4.358637000 H -1.860179000 -0.402182000 4.545841000 H -2.598492000 1.140476000 5.036653000 H -1.278035000 1.126300000 3.835384000 H -3.689443000 -4.808518000 1.442933000 H -2.598312000 -4.411381000 2.795815000 H -1.993116000 -5.355212000 1.425871000 H -0.467583000 -1.934453000 0.921967000 H -0.108117000 -3.673704000 0.949205000 H -0.628296000 -2.849595000 2.440142000 H -4.709979000 0.390413000 -4.348592000 H -5.288471000 -0.739879000 -3.094375000 H -4.659778000 -1.363446000 -4.640407000 H -2.201962000 0.563422000 -4.848187000 H -2.056737000 -1.192121000 -5.106076000 H -1.037804000 -0.385457000 -3.886254000 C 2.389814000 -4.289905000 -0.038428000 H 2.341383000 -4.963100000 -0.897430000 C 5.165122000 4.661471000 -1.055737000 N 2.761577000 1.347718000 -0.077763000 C 2.381074000 2.563585000 -2.625481000 H 2.217380000 1.496909000 -2.403347000 N 2.315968000 -0.654572000 0.701930000 C 4.749889000 2.282970000 1.890743000 H 4.145148000 1.366203000 1.941962000 C 4.252232000 3.207407000 3.006893000 C 4.224944000 4.178583000 -1.963631000 H 4.114174000 4.667021000 -2.933066000 C 2.337020000 -2.908590000 -0.253875000 C 2.632372000 -1.650606000 3.375074000 H 2.999223000 -0.680219000 3.002782000 C 2.518305000 -2.576267000 2.173646000 C 5.318798000 4.035286000 0.174484000 H 6.058615000 4.414991000 0.882729000 C 4.543937000 2.923727000 0.527148000 C 2.186821000 -2.389066000 -1.674642000 H 2.180958000 -1.289566000 -1.645043000 C 3.635063000 -2.148908000 4.418389000 C 6.210292000 1.874923000 2.109528000 C 2.550346000 -3.962519000 2.339113000 H 2.640045000 -4.381409000 3.342954000 C 3.358074000 -2.834268000 -2.557252000 C 2.399899000 -2.053596000 0.865471000 C 3.428030000 3.076362000 -1.653213000 C 0.844529000 -2.824017000 -2.273539000 C 2.487477000 -4.819835000 1.243236000 C 3.589820000 2.453565000 -0.396240000 C 3.219733000 0.107440000 0.091480000 C 1.264535000 -1.401299000 4.018592000 C 2.790516000 2.684987000 -4.092787000 C 1.057087000 3.283233000 -2.360488000 C 4.572717000 -0.349727000 -0.309331000 C 5.301908000 -1.229312000 0.502533000 C 5.131147000 0.079531000 -1.518273000 C 6.562917000 -1.661743000 0.109264000 H 4.882008000 -1.569863000 1.449428000 C 6.391681000 -0.365422000 -1.906858000 H 4.569806000 0.753303000 -2.166082000 H 7.120786000 -2.344380000 0.753886000 H 6.809780000 -0.028290000 -2.857305000 C 7.129136000 -1.239279000 -1.101222000 C 8.501166000 -1.707246000 -1.506127000 H 9.272352000 -1.239664000 -0.875238000 H 8.597040000 -2.795809000 -1.388683000 H 8.718839000 -1.451043000 -2.550790000 Al 1.161056000 0.931322000 1.028139000 H 2.048979000 2.182931000 -4.731084000 H 2.841317000 3.735170000 -4.417422000 H 3.772420000 2.224857000 -4.280252000 H 5.780505000 5.525174000 -1.311860000 H 0.773270000 3.183872000 -1.303570000 H 1.152187000 4.357769000 -2.586018000 H 0.243267000 2.861156000 -2.970658000 H 6.314368000 1.314332000 3.050942000 H 6.571701000 1.240523000 1.286586000 H 6.865589000 2.756887000 2.174656000 H 4.369280000 2.725557000 3.989376000 H 4.821970000 4.149455000 3.018358000 H 3.189451000 3.453815000 2.867894000 H 4.609631000 -2.383286000 3.964741000 H 3.790033000 -1.379225000 5.188388000 H 3.274494000 -3.053354000 4.930759000 H 0.553806000 -0.974849000 3.295421000 H 0.843142000 -2.345698000 4.399871000 H 1.352042000 -0.696085000 4.859249000 H 3.290425000 -2.365582000 -3.550714000 H 4.325365000 -2.560919000 -2.109970000 H 3.346676000 -3.925657000 -2.702634000 H 0.717032000 -2.406057000 -3.283750000 H 0.778181000 -3.920723000 -2.350624000 H 0.001216000 -2.482308000 -1.654274000 H 2.520084000 -5.900426000 1.389976000 H -2.817460000 -5.300723000 -3.160895000 p-tol monomer: C -3.497420000 -3.472776000 -2.683089000 H -3.928988000 -3.533474000 -3.684743000 C -4.366208000 4.610921000 2.122277000 N -2.652800000 1.173275000 0.400809000 C -2.612801000 3.615600000 -1.118428000 H -2.593048000 2.596503000 -1.538541000 N -2.389965000 -0.921546000 -0.209581000 C -3.846234000 0.970817000 3.104724000 H -3.434341000 0.148904000 2.504228000 C -2.945261000 1.114432000 4.336285000 C -3.796926000 4.663384000 0.853288000 H -3.790995000 5.608134000 0.307019000 C -3.262306000 -2.212884000 -2.117749000 C -1.772372000 -3.242981000 1.268761000 H -2.207567000 -2.353372000 1.752756000 C -2.385834000 -3.337949000 -0.118076000 C -4.378126000 3.407144000 2.815941000 H -4.822523000 3.366507000 3.813026000 C -3.826105000 2.243229000 2.271171000 C -3.610085000 -0.972590000 -2.926099000 H -3.426919000 -0.083657000 -2.305422000 C -2.074522000 -4.450291000 2.155480000 C -5.273576000 0.580547000 3.503830000 C -2.640567000 -4.569405000 -0.720516000 H -2.411502000 -5.491005000 -0.184182000 C -5.092163000 -0.956578000 -3.316352000 C -2.701112000 -2.155120000 -0.827072000 C -3.238349000 3.527849000 0.263445000 C -2.706579000 -0.849693000 -4.157631000 C -3.191765000 -4.641403000 -1.999066000 C -3.252517000 2.309628000 0.982341000 C -3.264912000 0.025718000 0.118620000 C -0.259181000 -3.017291000 1.166861000 C -3.414786000 4.485577000 -2.089000000 C -1.164882000 4.108271000 -1.017762000 C -4.739021000 -0.160749000 0.116267000 C -5.296787000 -1.370547000 0.547982000 C -5.585530000 0.865368000 -0.318355000 C -6.676605000 -1.542731000 0.549445000 H -4.647748000 -2.178041000 0.889491000 C -6.964718000 0.679303000 -0.322688000 H -5.163688000 1.809674000 -0.664672000 H -7.098899000 -2.489766000 0.891524000 H -7.613309000 1.484018000 -0.674283000 C -7.533340000 -0.522526000 0.115477000 C -9.026266000 -0.709429000 0.145748000 H -9.418582000 -0.512203000 1.155350000 H -9.302727000 -1.738530000 -0.120405000 H -9.528728000 -0.022701000 -0.547564000 Al -0.926635000 0.467263000 -0.385667000 H -2.992809000 4.407040000 -3.101359000 H -3.383274000 5.548075000 -1.805726000 H -4.469789000 4.176935000 -2.130744000 H -4.799567000 5.507223000 2.567983000 H -0.568518000 3.469158000 -0.350280000 H -1.141156000 5.131964000 -0.612579000 H -0.681351000 4.112439000 -2.006250000 H -5.278173000 -0.396986000 4.009332000 H -5.931033000 0.518102000 2.623867000 H -5.704954000 1.316560000 4.199491000 H -2.933816000 0.180958000 4.918731000 H -3.304848000 1.920064000 4.994431000 H -1.912897000 1.354032000 4.044077000 H -3.152290000 -4.667195000 2.193123000 H -1.725656000 -4.259968000 3.180532000 H -1.557353000 -5.354051000 1.799733000 H -0.022105000 -2.129398000 0.562219000 H 0.220409000 -3.883758000 0.686339000 H 0.186659000 -2.883860000 2.163865000 H -5.351889000 -0.004089000 -3.802460000 H -5.737402000 -1.082368000 -2.434042000 H -5.322380000 -1.766186000 -4.025707000 H -2.943948000 0.064950000 -4.721419000 H -2.842586000 -1.709038000 -4.831901000 H -1.646533000 -0.812532000 -3.867219000 H -3.384034000 -5.612059000 -2.458300000