61 pt_head_to_head C -3.099290 2.891133 1.234067 H -2.154045 3.436308 1.213841 H -3.518948 2.959792 2.239571 N -2.725952 1.473678 1.019824 C -3.493255 0.369459 1.193718 H -4.506693 0.415855 1.559049 N -1.510749 1.177278 0.555715 N -1.496177 -0.122726 0.428372 C -2.683519 -0.678964 0.810214 C -2.794369 -2.118087 0.658604 C -2.825492 -4.785744 0.013106 N -1.644824 -2.707234 0.208914 C -3.963546 -2.847556 0.853553 C -3.975613 -4.205597 0.543583 C -1.685861 -4.004590 -0.144765 H -4.852704 -2.350324 1.222965 H -4.876786 -4.791121 0.689515 H -0.790937 -4.419406 -0.584431 H -2.798477 -5.827347 -0.283932 Pt -0.000067 -1.413920 -0.000012 C 3.099406 2.890990 -1.233973 H 2.154196 3.436221 -1.213654 H 3.518985 2.959650 -2.239511 N 2.725997 1.473554 -1.019731 C 3.493261 0.369303 -1.193596 H 4.506723 0.415667 -1.558866 N 1.510763 1.177205 -0.555675 N 1.496123 -0.122799 -0.428353 C 2.683459 -0.679089 -0.810149 C 2.794225 -2.118221 -0.658571 C 2.825160 -4.785909 -0.013182 N 1.644623 -2.707321 -0.208959 C 3.963368 -2.847752 -0.853488 C 3.975343 -4.205807 -0.543573 C 1.685567 -4.004694 0.144664 H 4.852573 -2.350556 -1.222837 H 4.876491 -4.791375 -0.689483 H 0.790598 -4.419481 0.584265 H 2.798066 -5.827524 0.283811 C -4.074173 3.394232 0.191128 C -5.882121 4.329387 -1.734139 C -5.405416 3.651344 0.538857 C -3.651294 3.612747 -1.127899 C -4.552440 4.075448 -2.086469 C -6.306770 4.119171 -0.421007 H -5.737197 3.491422 1.561633 H -2.616893 3.423190 -1.403779 H -4.216782 4.243470 -3.105781 H -7.337081 4.318793 -0.141098 H -6.582032 4.693327 -2.480964 C 4.074409 3.393998 -0.191102 C 5.882580 4.328963 1.734048 C 3.651643 3.612540 1.127957 C 5.405652 3.650987 -0.538921 C 6.307117 4.118720 0.420885 C 4.552899 4.075147 2.086468 H 2.617245 3.423077 1.403910 H 5.737348 3.491047 -1.561722 H 7.337427 4.318246 0.140905 H 4.217328 4.243190 3.105805 H 6.582577 4.692829 2.480829 61 pt_head_to_tail H 3.221367 3.919233 -0.391542 C 2.178093 3.690121 -0.207717 C -0.450649 3.018994 0.249431 C 1.750115 2.366475 -0.197158 C 1.248157 4.702809 0.020799 C -0.082213 4.360943 0.252524 N 0.443298 2.038111 0.028911 H 1.561741 5.741133 0.017375 H -0.837925 5.115824 0.434976 H -1.472883 2.710291 0.424041 C 2.602293 1.212365 -0.418121 C 3.934824 0.973026 -0.683731 H 4.784249 1.625116 -0.807989 N 2.853587 -0.972512 -0.578672 N 1.996545 -0.010109 -0.364762 N 4.028947 -0.375590 -0.772167 C 5.220230 -1.198821 -1.100440 H 4.929076 -2.221615 -0.855361 H 5.369567 -1.130072 -2.180776 Pt 0.000033 0.000024 -0.000113 C -5.220120 1.198847 1.100425 H -5.369238 1.130207 2.180799 N -4.028876 0.375630 0.772006 C -3.934753 -0.972984 0.683538 H -4.784171 -1.625084 0.807783 N -2.853517 0.972557 0.578516 N -1.996483 0.010161 0.364546 C -2.602229 -1.212315 0.417889 C -1.750051 -2.366426 0.196936 C 0.082265 -4.360904 -0.252735 N -0.443232 -2.038068 -0.029132 C -2.178033 -3.690071 0.207523 C -1.248101 -4.702765 -0.020980 C 0.450705 -3.018957 -0.249668 H -3.221309 -3.919173 0.391348 H -1.561683 -5.741090 -0.017518 H 1.472937 -2.710258 -0.424299 H 0.837971 -5.115789 -0.435197 H -4.929065 2.221632 0.855186 C -6.449620 0.753009 0.345029 C -8.737346 -0.069147 -1.046643 C -6.588664 1.044049 -1.020063 C -7.464526 0.051131 1.006798 C -8.606154 -0.358192 0.312751 C -7.726924 0.632745 -1.712484 H -5.807585 1.594944 -1.538141 H -7.365982 -0.170105 2.066552 H -9.389876 -0.899038 0.835078 H -7.829172 0.864255 -2.768703 H -9.625195 -0.385417 -1.586723 C 6.449588 -0.753099 -0.344744 C 8.736982 0.068981 1.047517 C 7.464367 -0.050632 -1.006091 C 6.588600 -1.044778 1.020211 C 7.726699 -0.633517 1.712925 C 8.605823 0.358664 -0.311747 H 7.365868 0.171079 -2.065751 H 5.807621 -1.596128 1.537955 H 7.828926 -0.865530 2.769036 H 9.389446 0.899971 -0.833745 H 9.624705 0.385216 1.587825 61 pd_head_to_head C 3.137789 -2.701025 1.271454 H 2.195490 -3.251027 1.241026 H 3.522649 -2.728504 2.293084 N 2.764912 -1.295971 0.986427 C 3.542008 -0.187486 1.069869 H 4.571815 -0.220250 1.388584 N 1.529850 -1.013570 0.567463 N 1.511376 0.276479 0.378002 C 2.716055 0.845229 0.676708 C 2.833619 2.280262 0.481905 C 2.854695 4.950067 -0.163923 N 1.672168 2.882690 0.095776 C 4.022319 2.996095 0.602011 C 4.029608 4.353689 0.288627 C 1.698781 4.179268 -0.249777 H 4.926612 2.490555 0.920074 H 4.945114 4.928591 0.376984 H 0.778053 4.606227 -0.621766 H 2.820186 5.993878 -0.452526 Pd 0.000004 1.582888 0.000005 C -3.137772 -2.701042 -1.271442 H -2.195477 -3.251048 -1.241000 H -3.522623 -2.728531 -2.293075 N -2.764894 -1.295987 -0.986426 C -3.541999 -0.187507 -1.069853 H -4.571812 -0.220280 -1.388545 N -1.529822 -1.013575 -0.567498 N -1.511358 0.276471 -0.378015 C -2.716045 0.845213 -0.676706 C -2.833619 2.280244 -0.481902 C -2.854715 4.950054 0.163904 N -1.672171 2.882684 -0.095781 C -4.022327 2.996065 -0.602004 C -4.029626 4.353662 -0.288630 C -1.698794 4.179265 0.249757 H -4.926617 2.490513 -0.920057 H -4.945138 4.928554 -0.376986 H -0.778068 4.606236 0.621736 H -2.820211 5.993869 0.452495 C 4.150004 -3.240114 0.284228 C 6.027120 -4.246497 -1.536329 C 5.461172 -3.505291 0.695980 C 3.781993 -3.486430 -1.046459 C 4.717622 -3.984348 -1.952679 C 6.397021 -4.008851 -0.211451 H 5.750364 -3.323961 1.728013 H 2.763410 -3.290776 -1.372695 H 4.424580 -4.173492 -2.981362 H 7.411242 -4.214287 0.118575 H 6.753764 -4.637881 -2.242615 C -4.150001 -3.240116 -0.284220 C -6.027144 -4.246465 1.536328 C -3.782005 -3.486424 1.046472 C -5.461167 -3.505284 -0.695982 C -6.397031 -4.008827 0.211445 C -4.717647 -3.984325 1.952688 H -2.763422 -3.290779 1.372715 H -5.750348 -3.323962 -1.728019 H -7.411250 -4.214256 -0.118588 H -4.424615 -4.173464 2.981376 H -6.753798 -4.637835 2.242612 61 pd_head_to_tail H 3.179870 3.934499 -0.364945 C 2.140441 3.696668 -0.170188 C -0.479070 3.008157 0.313637 C 1.717477 2.370241 -0.172346 C 1.208597 4.701569 0.085845 C -0.117647 4.353229 0.331080 N 0.416890 2.039587 0.067205 H 1.518618 5.741054 0.092996 H -0.873039 5.103102 0.534621 H -1.497888 2.691002 0.498080 C 2.577233 1.225178 -0.423404 C 3.909808 1.017326 -0.717783 H 4.743893 1.688308 -0.845887 N 2.868281 -0.949075 -0.626617 N 1.998482 -0.010097 -0.379660 N 4.029353 -0.327679 -0.832307 C 5.230992 -1.120161 -1.195771 H 4.947626 -2.157519 -1.010062 H 5.387459 -0.990123 -2.269429 Pd -0.006555 -0.013483 0.021579 C -5.250286 1.097651 1.206511 H -5.452342 0.931787 2.267417 N -4.044475 0.303256 0.863418 C -3.924624 -1.042370 0.755238 H -4.759345 -1.712698 0.883725 N -2.882713 0.923647 0.658849 N -2.011995 -0.016388 0.419867 C -2.590928 -1.251575 0.466856 C -1.729995 -2.397313 0.222454 C 0.107001 -4.381138 -0.271185 N -0.429772 -2.066691 -0.019302 C -2.151546 -3.724180 0.227643 C -1.218758 -4.729486 -0.023407 C 0.467078 -3.035623 -0.260950 H -3.190592 -3.962118 0.424269 H -1.527718 -5.769310 -0.024781 H 1.485452 -2.718356 -0.447770 H 0.863039 -5.131327 -0.471137 H -4.946715 2.136874 1.069467 C -6.441450 0.729510 0.353253 C -8.656222 0.050976 -1.221421 C -6.515075 1.152925 -0.981733 C -7.485035 -0.031378 0.893514 C -8.590268 -0.369413 0.108138 C -7.617091 0.813218 -1.765625 H -5.711793 1.751483 -1.404049 H -7.437507 -0.353398 1.930735 H -9.396945 -0.957007 0.536604 H -7.668883 1.147349 -2.797789 H -9.515918 -0.209532 -1.832223 C 6.450122 -0.706426 -0.405838 C 8.715240 0.059897 1.053059 C 7.450512 0.065776 -1.008972 C 6.592839 -1.096661 0.933747 C 7.719925 -0.713409 1.659820 C 8.580585 0.447675 -0.281259 H 7.349926 0.362981 -2.049835 H 5.823950 -1.703778 1.405177 H 7.825273 -1.022229 2.695780 H 9.353174 1.043650 -0.758215 H 9.594435 0.354433 1.618995 144 Pd2Pt2(1b)4 H 4.736964 -3.792942 4.368150 C 5.053092 -2.829197 3.986850 C 5.866743 -0.422425 2.931073 C 5.162296 -2.627351 2.615775 C 5.366152 -1.779986 4.849947 C 5.776672 -0.562334 4.313172 N 5.566064 -1.431669 2.094663 H 5.291850 -1.916737 5.923198 H 6.031301 0.279268 4.946447 H 6.179030 0.507245 2.475136 C 4.873907 -3.627457 1.603460 C 4.386448 -4.914258 1.571299 H 4.070993 -5.598463 2.343332 N 4.799395 -4.227490 -0.521199 N 5.104760 -3.268529 0.301936 N 4.363954 -5.231868 0.249069 C 3.879147 -6.456661 -0.374898 H 4.491488 -6.676916 -1.247230 H 3.948734 -7.266801 0.348636 N 2.489734 -6.315186 -0.807449 C 2.002242 -6.234688 -2.073616 H 2.633313 -6.285132 -2.946465 N 1.521699 -6.226273 0.112067 N 0.417965 -6.087996 -0.556815 C 0.642004 -6.089714 -1.906295 C -0.515729 -5.946341 -2.774603 C -2.856964 -5.688268 -4.185019 N -1.685519 -5.748189 -2.103725 C -0.475133 -6.015783 -4.163582 C -1.665235 -5.883680 -4.878559 C -2.830142 -5.625349 -2.793398 H 0.468555 -6.176756 -4.672175 H -1.657240 -5.937817 -5.961743 H -3.732475 -5.469485 -2.216234 H -3.803654 -5.586876 -4.702365 Pt 5.742723 -1.356281 0.013685 H 3.507576 5.228980 4.641844 C 2.585968 5.489117 4.134419 C 0.293538 6.151997 2.763864 C 2.523283 5.454182 2.745153 C 1.451778 5.872035 4.849981 C 0.291840 6.207623 4.156025 N 1.383663 5.782491 2.074221 H 1.479804 5.909662 5.933529 H -0.609938 6.513150 4.673386 H -0.586920 6.400533 2.185509 C 3.630334 5.087946 1.876505 C 4.916092 4.620777 2.042865 H 5.504967 4.386667 2.915547 N 4.481385 4.833816 -0.143212 N 3.429251 5.192216 0.527249 N 5.389595 4.485579 0.775824 C 6.694214 3.989305 0.347467 H 7.116387 4.670071 -0.389101 H 7.340002 3.930205 1.221649 N 6.575215 2.666425 -0.257323 C 6.631541 2.331527 -1.574011 H 6.829145 3.049850 -2.353964 N 6.322824 1.610534 0.524191 N 6.216158 0.598987 -0.285681 C 6.396620 0.974560 -1.589633 C 6.293086 -0.076104 -2.586570 C 6.075414 -2.247421 -4.248518 N 5.983332 -1.296015 -2.055668 C 6.489870 0.099670 -3.951332 C 6.379229 -1.003698 -4.796492 C 5.882311 -2.358313 -2.874345 H 6.727387 1.082750 -4.340764 H 6.531469 -0.889718 -5.864127 H 5.635575 -3.304351 -2.412052 H 5.985108 -3.132367 -4.867227 Pd 1.527962 5.731871 -0.015023 H -4.735583 3.792023 4.368342 C -5.051975 2.828370 3.987026 C -5.866241 0.421829 2.931205 C -5.161632 2.626704 2.615960 C -5.364905 1.779096 4.850094 C -5.775748 0.561563 4.313293 N -5.565679 1.431129 2.094821 H -5.290254 1.915704 5.923338 H -6.030296 -0.280084 4.946541 H -6.178785 -0.507751 2.475263 C -4.873450 3.626914 1.603691 C -4.386074 4.913745 1.571574 H -4.070482 5.597883 2.343608 N -4.799375 4.227173 -0.520917 N -5.104550 3.268115 0.302174 N -4.363799 5.231473 0.249363 C -3.879229 6.456383 -0.374569 H -4.491672 6.676594 -1.246841 H -3.948905 7.266470 0.349013 N -2.489812 6.315188 -0.807196 C -2.002334 6.234818 -2.073378 H -2.633446 6.285135 -2.946204 N -1.521727 6.226470 0.112286 N -0.417973 6.088506 -0.556621 C -0.642051 6.090190 -1.906104 C 0.515707 5.947093 -2.774431 C 2.857018 5.689572 -4.184842 N 1.685507 5.748906 -2.103568 C 0.475157 6.016888 -4.163395 C 1.665295 5.885065 -4.878367 C 2.830159 5.626318 -2.793238 H -0.468511 6.177929 -4.672007 H 1.657326 5.939482 -5.961536 H 3.732490 5.470375 -2.216093 H 3.803735 5.588391 -4.702180 Pt -5.742812 1.355960 0.013885 H -3.507763 -5.229542 4.641712 C -2.586055 -5.489345 4.134298 C -0.293439 -6.151446 2.763691 C -2.523330 -5.454127 2.745040 C -1.451799 -5.872120 4.849833 C -0.291765 -6.207297 4.155847 N -1.383612 -5.782053 2.074074 H -1.479845 -5.909949 5.933373 H 0.610075 -6.512693 4.673177 H 0.587081 -6.399746 2.185328 C -3.630439 -5.087969 1.876428 C -4.916284 -4.621036 2.042802 H -5.505239 -4.387189 2.915500 N -4.481427 -4.833598 -0.143289 N -3.429274 -5.191962 0.527171 N -5.389759 -4.485726 0.775760 C -6.694446 -3.989580 0.347441 H -7.116604 -4.670373 -0.389112 H -7.340187 -3.930523 1.221657 N -6.575537 -2.666686 -0.257324 C -6.631831 -2.331726 -1.573999 H -6.829364 -3.050022 -2.353997 N -6.323129 -1.610838 0.524243 N -6.216459 -0.599249 -0.285572 C -6.396950 -0.974747 -1.589543 C -6.293485 0.075985 -2.586417 C -6.075943 2.247413 -4.248235 N -5.983645 1.295851 -2.055462 C -6.490398 -0.099694 -3.951171 C -6.379819 1.003729 -4.796266 C -5.882701 2.358209 -2.874073 H -6.727958 -1.082746 -4.340644 H -6.532156 0.889823 -5.863896 H -5.635912 3.304211 -2.411738 H -5.985701 3.132402 -4.866891 Pd -1.527938 -5.731318 -0.015169 144 Cu2Pt2(1b)4 H 7.103375 -3.879314 3.690190 C 7.492726 -2.885228 3.498635 C 8.419947 -0.368185 2.942347 C 7.281367 -2.269416 2.262740 C 8.204879 -2.196481 4.478237 C 8.677988 -0.914306 4.197897 N 7.741067 -1.025297 1.988757 H 8.384008 -2.654423 5.445653 H 9.236745 -0.344649 4.932104 H 8.768080 0.625940 2.680916 C 6.558386 -2.912142 1.161495 C 6.137355 -4.206234 0.940713 H 6.194960 -5.109558 1.527364 N 5.658297 -2.936969 -0.843158 N 6.231982 -2.181283 0.047205 N 5.592354 -4.173767 -0.304203 C 5.071185 -5.277987 -1.082429 H 5.547270 -5.296666 -2.061288 H 5.276403 -6.206439 -0.551661 N 3.626532 -5.159549 -1.303727 C 2.970280 -5.145853 -2.492060 H 3.477435 -5.169648 -3.443883 N 2.791212 -5.129348 -0.262058 N 1.596061 -5.086546 -0.778110 C 1.637831 -5.104246 -2.144738 C 0.361473 -5.101279 -2.835712 C -2.172310 -5.124595 -3.884910 N -0.711400 -5.086074 -1.991369 C 0.206202 -5.125603 -4.216837 C -1.081490 -5.136989 -4.750832 C -1.952006 -5.098106 -2.510713 H 1.080373 -5.137348 -4.857051 H -1.225659 -5.157046 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