Fe3 pyridine Fe 14.904541 12.360511 9.750633 N 13.908607 11.039377 8.670225 N 13.171987 13.085119 9.967372 N 12.693208 14.139697 10.647878 N 11.035836 13.133882 9.535055 N 15.708875 13.693721 10.978663 N 14.762228 11.366113 11.371839 N 14.222396 10.170692 11.688519 N 14.857952 11.233544 13.549333 N 16.737268 11.704235 9.286148 N 15.198112 13.364539 8.133537 N 14.398903 14.151704 7.382310 N 16.366712 13.882276 6.361934 C 14.428206 9.970525 8.044955 H 15.491900 9.795957 8.187708 C 13.653934 9.120629 7.257991 H 14.121020 8.262878 6.777779 C 12.293056 9.388796 7.101286 H 11.668161 8.744092 6.484938 C 11.738346 10.490826 7.749164 H 10.680608 10.728501 7.661350 C 12.565770 11.296467 8.533491 C 12.193197 12.463070 9.293874 C 11.377595 14.191781 10.386775 C 10.486632 15.209328 10.912450 C 11.058584 16.440490 11.304842 H 12.129244 16.592280 11.179963 C 10.255467 17.447773 11.823925 H 10.697515 18.400750 12.111412 C 8.877511 17.242015 11.970369 H 8.249379 18.033705 12.377401 C 8.306430 16.020040 11.597697 H 7.237505 15.856303 11.726526 C 9.098576 15.006558 11.068283 H 8.642098 14.057645 10.799583 C 9.751426 12.841936 8.946952 C 9.009534 11.756965 9.416935 H 9.392698 11.138192 10.228660 C 7.766331 11.492597 8.843086 H 7.179940 10.648825 9.207233 C 7.249815 12.300274 7.814492 C 8.027010 13.383328 7.366632 H 7.646033 14.020663 6.568387 C 9.273640 13.661096 7.923711 H 9.865544 14.508976 7.580584 C 5.892620 12.032809 7.230146 H 5.597542 10.984322 7.353474 H 5.855813 12.285977 6.163568 H 5.132485 12.648601 7.734853 C 16.189062 14.899203 10.634356 H 16.130043 15.160223 9.580658 C 16.717247 15.784212 11.572634 H 17.089444 16.752608 11.243764 C 16.754089 15.411421 12.916518 H 17.167745 16.082549 13.667829 C 16.246244 14.168177 13.290678 H 16.244383 13.844386 14.328855 C 15.723956 13.332012 12.302996 C 15.147340 12.020143 12.478095 C 14.282085 10.068242 13.025827 C 13.831234 8.908024 13.773115 C 13.449641 8.971824 15.130296 H 13.471670 9.914508 15.670128 C 13.012432 7.822527 15.781054 H 12.710155 7.877789 16.825832 C 12.954568 6.602370 15.099181 H 12.619064 5.704999 15.617950 C 13.323892 6.533510 13.749840 H 13.279704 5.582779 13.220368 C 13.753940 7.675650 13.086403 H 14.047131 7.630053 12.038986 C 15.144755 11.555865 14.926829 C 14.332755 12.473516 15.595194 H 13.485804 12.931851 15.084337 C 14.617497 12.780333 16.925430 H 13.985992 13.494164 17.454581 C 15.695689 12.179867 17.599031 C 16.492933 11.262227 16.891512 H 17.336550 10.787440 17.392901 C 16.226966 10.944956 15.560984 H 16.844211 10.224359 15.025315 C 15.975018 12.488141 19.041931 H 15.533059 13.444130 19.345074 H 17.052628 12.517875 19.245347 H 15.546998 11.707071 19.688644 C 17.456371 10.809131 9.989460 H 16.975065 10.391508 10.870697 C 18.734230 10.411666 9.604090 H 19.269781 9.677118 10.202531 C 19.298256 10.959648 8.450335 H 20.294337 10.663009 8.124798 C 18.570706 11.894211 7.715725 H 18.975875 12.346158 6.813272 C 17.294777 12.253799 8.155578 C 16.379283 13.180180 7.532830 C 15.108951 14.483263 6.292173 C 14.610151 15.326394 5.218465 C 15.458536 16.122160 4.422666 H 16.531664 16.135185 4.597060 C 14.918152 16.921521 3.419444 H 15.575896 17.542387 2.812926 C 13.538011 16.935256 3.194306 H 13.122491 17.558656 2.403399 C 12.689933 16.152357 3.986269 H 11.615583 16.162998 3.807480 C 13.217436 15.355776 4.995978 H 12.567513 14.737775 5.613470 C 17.428901 13.918953 5.387425 C 18.580094 14.661945 5.657408 H 18.670998 15.216027 6.592045 C 19.598898 14.698134 4.706704 H 20.498158 15.279960 4.909905 C 19.482075 14.010081 3.485348 C 18.309854 13.269834 3.249792 H 18.200386 12.724760 2.312095 C 17.282287 13.218541 4.189676 H 16.373654 12.650317 3.993419 C 20.565265 14.089259 2.448934 H 20.627163 13.167738 1.857691 H 21.544788 14.285510 2.900435 H 20.358740 14.911434 1.746513 pyridazine Fe 8.297249 4.504438 7.368381 N 7.413824 5.059503 10.060256 C 7.481398 5.675609 11.246194 H 6.721727 5.369560 11.964485 C 9.365663 6.983667 10.576149 C 9.277479 6.310026 9.351718 C 10.083016 6.473294 8.171623 C 11.480886 6.887036 6.525700 C 12.541188 7.445856 5.705265 C 12.375836 7.404846 4.303854 H 11.463126 6.980882 3.888143 C 13.360144 7.924389 3.471107 H 13.221662 7.905996 2.390894 C 14.522037 8.480645 4.019079 H 15.290954 8.889736 3.364604 C 14.697630 8.511973 5.406234 H 15.607472 8.933497 5.831204 C 13.715728 8.002663 6.251104 H 13.874039 8.022227 7.326353 C 11.804606 8.195325 8.703520 C 12.651165 7.761095 9.725049 H 12.848286 6.697488 9.861068 C 13.251152 8.709719 10.553082 H 13.915347 8.377514 11.351197 C 13.024817 10.085215 10.370220 C 12.163722 10.484427 9.332573 H 11.971298 11.545915 9.175274 C 11.550685 9.551599 8.497912 H 10.892206 9.870691 7.690706 C 13.704674 11.103770 11.239601 H 14.004509 10.678681 12.204382 H 13.059342 11.971774 11.421920 H 14.615671 11.476970 10.747340 N 10.034813 2.941790 9.024414 C 10.908161 1.953683 9.252621 H 11.212922 1.844314 10.292833 C 10.978118 1.339305 6.942540 C 10.061000 2.376975 6.737373 C 9.438496 2.813230 5.516136 C 8.564607 3.225673 3.540920 C 8.267497 3.207507 2.121199 C 6.999593 3.674010 1.708171 H 6.285800 4.007822 2.459221 C 6.669518 3.692517 0.359154 H 5.686942 4.041808 0.045037 C 7.597410 3.259479 -0.596629 H 7.336749 3.275571 -1.654338 C 8.861470 2.812279 -0.196138 H 9.587820 2.492803 -0.942025 C 9.201068 2.781416 1.152327 H 10.194319 2.451762 1.445896 C 10.371695 1.414159 3.683343 C 9.822046 0.196824 3.278019 H 8.748443 0.027244 3.352645 C 10.668327 -0.785773 2.769439 H 10.245626 -1.738806 2.450706 C 12.054855 -0.573356 2.658582 C 12.573751 0.662661 3.083557 H 13.644783 0.849473 3.003514 C 11.743012 1.660531 3.592587 H 12.148531 2.625541 3.897908 C 12.949000 -1.629508 2.076536 H 12.640940 -2.634652 2.390513 H 13.996413 -1.477393 2.360884 H 12.899016 -1.607748 0.977094 N 7.159054 6.957364 6.392364 C 6.143485 7.740682 6.008780 C 4.513812 6.093998 6.596874 H 3.495254 5.725448 6.700097 C 5.597121 5.300272 6.991709 C 5.597053 3.969282 7.541294 C 5.329095 1.910835 8.268289 C 4.744732 0.664552 8.724949 C 3.463865 0.595952 9.314234 H 2.866460 1.493890 9.450498 C 2.970741 -0.626634 9.757055 H 1.987254 -0.674543 10.222235 C 3.736424 -1.789731 9.617157 H 3.341618 -2.744747 9.962137 C 5.012184 -1.727091 9.041754 H 5.606799 -2.633406 8.936187 C 5.519209 -0.510707 8.603351 H 6.509610 -0.451185 8.155323 C 3.218096 3.256010 7.735651 C 2.569676 4.123687 8.617347 H 3.132274 4.629196 9.402511 C 1.193568 4.308479 8.491296 H 0.679962 4.979308 9.180245 C 0.453699 3.633730 7.503309 C 1.141847 2.769617 6.632133 H 0.588534 2.240840 5.855828 C 2.516864 2.574373 6.739613 H 3.039853 1.896461 6.065942 C -1.033716 3.806663 7.398752 H -1.360911 4.767660 7.812308 H -1.549085 3.014836 7.964059 H -1.375263 3.733962 6.359111 N 8.311949 5.359808 9.144591 C 8.445855 6.644953 11.554420 N 9.755322 5.736538 7.106079 N 11.175686 7.221081 7.844406 N 10.606119 5.959786 6.092825 N 6.883425 5.754369 6.851624 C 4.800527 7.347119 6.079902 N 6.793723 3.399194 7.747913 N 4.639757 3.057837 7.860237 N 6.651080 2.136221 8.178021 N 9.608551 3.127651 7.791866 C 11.402957 1.117071 8.242247 N 8.504411 3.770132 5.622141 N 9.507963 2.440377 4.210470 N 7.950464 4.028391 4.428225 H 4.009924 8.016463 5.744585 H 8.458009 7.120598 12.533784 H 10.134677 7.737578 10.733337 H 12.108365 0.322476 8.479945 H 11.331046 0.742853 6.103632 H 6.438923 8.718677 5.630593 4pyrimidine Fe 14.765815 12.361287 9.769399 N 13.769217 11.028663 8.710411 N 13.031052 13.101541 9.949335 N 12.560105 14.188730 10.574892 N 10.902467 13.173474 9.469861 N 15.559945 13.706949 10.981394 N 14.641503 11.382266 11.404511 N 14.166176 10.167057 11.728815 N 14.890152 11.209391 13.569950 N 16.597633 11.688182 9.336737 N 15.095501 13.347575 8.146729 N 14.324681 14.141298 7.380079 N 16.323983 13.884837 6.417520 C 14.261733 9.931763 8.105094 H 15.322567 9.728699 8.246560 N 13.561444 9.085378 7.359628 C 12.254157 9.346032 7.192492 H 11.693635 8.647184 6.569207 C 11.628837 10.445549 7.782542 H 10.566788 10.642326 7.654810 C 12.427112 11.285636 8.556849 C 12.051923 12.472851 9.279363 C 11.247006 14.255413 10.286670 C 10.367240 15.304357 10.762114 C 10.955359 16.537743 11.125429 H 12.030586 16.667785 11.016239 C 10.160848 17.575224 11.594738 H 10.614178 18.529535 11.859071 C 8.776493 17.397297 11.721995 H 8.155466 18.212521 12.091873 C 8.189501 16.173096 11.379944 H 7.115957 16.032270 11.496501 C 8.972245 15.129642 10.898837 H 8.504981 14.179122 10.655112 C 9.626417 12.878607 8.865045 C 8.878295 11.795908 9.329771 H 9.245253 11.184835 10.154816 C 7.644581 11.526994 8.736699 H 7.051879 10.686532 9.097981 C 7.145219 12.326576 7.693733 C 7.928609 13.409643 7.253239 H 7.560752 14.041573 6.444541 C 9.164109 13.693031 7.829588 H 9.760183 14.539948 7.491373 C 5.803309 12.051589 7.079732 H 5.436778 11.050939 7.334224 H 5.837073 12.145770 5.986663 H 5.060791 12.779717 7.439935 C 15.995999 14.937317 10.653680 H 15.899193 15.227782 9.608531 N 16.514596 15.818915 11.500993 C 16.609046 15.454830 12.790158 H 17.049616 16.183894 13.472349 C 16.161164 14.215725 13.252956 H 16.218451 13.936683 14.302610 C 15.623903 13.346668 12.305537 C 15.080899 12.025579 12.499146 C 14.317162 10.038268 13.061516 C 13.948304 8.851793 13.807490 C 13.671398 8.873917 15.192520 H 13.713450 9.803834 15.752913 C 13.310805 7.699542 15.843439 H 13.087297 7.720863 16.909016 C 13.228485 6.495079 15.134735 H 12.953712 5.577335 15.653681 C 13.494547 6.467212 13.759029 H 13.432099 5.528512 13.210441 C 13.845216 7.634747 13.094604 H 14.058839 7.621041 12.027316 C 15.275779 11.513476 14.928041 C 14.503771 12.406217 15.672853 H 13.609603 12.856195 15.240759 C 14.886651 12.694621 16.982905 H 14.285462 13.385704 17.573845 C 16.024082 12.102306 17.559229 C 16.778587 11.210155 16.774677 H 17.667092 10.742022 17.198974 C 16.414401 10.909473 15.464427 H 17.000664 10.209860 14.869354 C 16.416025 12.393446 18.978637 H 15.881158 13.262053 19.378191 H 17.495258 12.574875 19.065392 H 16.185498 11.532570 19.624164 C 17.318963 10.784693 10.032848 H 16.836208 10.341621 10.903077 N 18.545078 10.379005 9.729549 C 19.119313 10.911493 8.636958 H 20.126805 10.566727 8.398170 C 18.473230 11.855940 7.838350 H 18.945082 12.280277 6.955021 C 17.188582 12.240145 8.222490 C 16.298368 13.171670 7.580980 C 15.071789 14.486862 6.313494 C 14.610117 15.348461 5.240861 C 15.490478 16.140253 4.474473 H 16.558920 16.135685 4.675431 C 14.986200 16.960107 3.469949 H 15.666781 17.579070 2.887230 C 13.611477 16.997808 3.213231 H 13.224326 17.637490 2.420898 C 12.731923 16.219124 3.975591 H 11.662618 16.249268 3.771047 C 13.222477 15.403400 4.987811 H 12.548698 14.788761 5.582560 C 17.421614 13.922536 5.482399 C 18.572713 14.643132 5.809294 H 18.634415 15.186470 6.752660 C 19.628402 14.673869 4.899659 H 20.527532 15.239300 5.145147 C 19.549575 14.000899 3.666224 C 18.375188 13.283049 3.374407 H 18.295800 12.748553 2.427664 C 17.309706 13.238750 4.270657 H 16.402013 12.685194 4.032560 C 20.675098 14.070374 2.676494 H 20.753446 13.147964 2.088489 H 21.636618 14.260063 3.167578 H 20.504111 14.893114 1.964853 pyrazine Fe 8.162348 4.404397 7.437343 C 7.446962 5.120714 10.271555 H 6.684084 4.350332 10.184183 C 7.605120 5.868859 11.441865 H 6.951339 5.695780 12.298093 C 9.354416 7.013755 10.523889 H 10.125502 7.779432 10.617631 C 9.233898 6.271254 9.338002 C 10.023137 6.367794 8.138690 C 11.417614 6.657753 6.460261 C 12.494794 7.128418 5.606358 C 12.321748 7.011985 4.210055 H 11.390700 6.602956 3.820487 C 13.323223 7.439271 3.345697 H 13.178843 7.363902 2.268707 C 14.509817 7.977455 3.857371 H 15.291869 8.315244 3.178263 C 14.692225 8.083722 5.239500 H 15.619936 8.492478 5.637371 C 13.693592 7.666942 6.115740 H 13.857463 7.745264 7.187352 C 11.828211 8.026362 8.588765 C 12.674314 7.581217 9.605277 H 12.832781 6.514238 9.763697 C 13.325932 8.524129 10.400769 H 13.989931 8.183854 11.195330 C 13.149615 9.902510 10.191302 C 12.288101 10.312875 9.156789 H 12.135563 11.377401 8.977432 C 11.624809 9.387273 8.354507 H 10.967320 9.716026 7.550217 C 13.867701 10.915908 11.034430 H 14.392139 10.448727 11.875034 H 13.170400 11.665132 11.433062 H 14.610219 11.461300 10.433526 C 9.872847 2.597490 9.083036 H 9.448277 3.102273 9.947636 C 10.812663 1.569409 9.217990 H 11.143026 1.253936 10.208870 C 10.923674 1.314658 6.951451 H 11.345073 0.799786 6.087504 C 9.978262 2.336083 6.780202 C 9.380658 2.816231 5.562968 C 8.569910 3.329695 3.583774 C 8.340121 3.405253 2.155199 C 7.068118 3.842053 1.716837 H 6.304798 4.081850 2.454847 C 6.796727 3.943450 0.359510 H 5.812016 4.266311 0.024651 C 7.786930 3.624319 -0.580482 H 7.571315 3.704652 -1.645436 C 9.054483 3.208734 -0.154294 H 9.826878 2.979001 -0.886791 C 9.337020 3.095973 1.202072 H 10.332504 2.795033 1.517360 C 10.521353 1.663610 3.686072 C 10.121761 0.445241 3.135396 H 9.068133 0.169163 3.111986 C 11.095064 -0.404128 2.612114 H 10.792136 -1.357525 2.179465 C 12.457690 -0.056952 2.630293 C 12.822144 1.182766 3.191946 H 13.871812 1.477179 3.203578 C 11.865929 2.045759 3.720406 H 12.148167 3.013558 4.135715 C 13.501447 -0.983659 2.080659 H 13.061714 -1.762609 1.448104 H 14.039008 -1.484557 2.900504 H 14.252215 -0.437418 1.495060 C 6.954788 6.824996 6.200250 H 7.979433 7.161579 6.062907 C 5.862654 7.561134 5.726091 H 6.021349 8.514393 5.219602 C 4.408495 5.968531 6.474859 H 3.382439 5.615488 6.582066 C 5.478261 5.208850 6.968463 C 5.449247 3.919205 7.611165 C 5.149245 1.920590 8.489235 C 4.542442 0.716904 9.022125 C 3.246102 0.701503 9.584568 H 2.653864 1.611315 9.641536 C 2.733286 -0.481546 10.103937 H 1.739389 -0.488988 10.548870 C 3.493341 -1.657011 10.067343 H 3.082738 -2.581487 10.472070 C 4.783481 -1.646544 9.518965 H 5.371378 -2.562876 9.492635 C 5.311060 -0.469642 9.005225 H 6.310110 -0.451480 8.573230 C 3.060609 3.227653 7.797206 C 2.394647 4.174332 8.580104 H 2.937648 4.754730 9.326524 C 1.021441 4.340083 8.414031 H 0.494008 5.066982 9.031873 C 0.300733 3.573821 7.478244 C 1.005710 2.628429 6.710152 H 0.466851 2.020651 5.983144 C 2.378144 2.447784 6.860929 H 2.911827 1.706062 6.267619 C -1.174259 3.771024 7.293604 H -1.652285 4.135209 8.210531 H -1.669264 2.844100 6.980244 H -1.362660 4.520073 6.508346 N 8.255209 5.315634 9.215202 N 8.546196 6.814135 11.566479 N 9.648932 5.602110 7.109766 N 11.141782 7.056891 7.767270 N 10.496621 5.755363 6.072490 N 6.767871 5.652993 6.821233 N 4.600543 7.136849 5.857216 N 6.640490 3.360097 7.891125 N 4.478386 3.039163 7.972481 N 6.473661 2.133270 8.425151 N 9.456008 2.985483 7.870175 N 11.338012 0.935184 8.162391 N 8.374476 3.697679 5.695024 N 9.535055 2.554522 4.241648 N 7.864317 4.019132 4.496149 2pyrimidine Fe 14.869267 12.356733 9.779598 N 13.886470 11.001393 8.737418 N 13.126723 13.082045 9.955267 N 12.651446 14.181205 10.562358 N 11.000712 13.147966 9.456521 N 15.624193 13.721610 10.994374 N 14.745998 11.378541 11.418349 N 14.294174 10.148805 11.736684 N 14.917953 11.231876 13.594892 N 16.699782 11.690369 9.342888 N 15.185753 13.350494 8.160509 N 14.403175 14.145375 7.404321 N 16.382281 13.865555 6.399596 C 14.367310 9.891617 8.149882 H 15.427918 9.687080 8.279905 C 13.541060 9.049214 7.412884 H 13.937961 8.150371 6.945570 C 12.193797 9.403391 7.296719 H 11.491192 8.798289 6.721577 N 11.694461 10.497674 7.889275 C 12.541192 11.247310 8.584470 C 12.152287 12.443376 9.292494 C 11.341796 14.236669 10.267287 C 10.442473 15.268143 10.749223 C 10.980598 16.546068 11.013372 H 12.036363 16.729097 10.820748 C 10.158825 17.559736 11.490334 H 10.570293 18.550802 11.676481 C 8.799919 17.310022 11.725310 H 8.158821 18.106529 12.101611 C 8.265012 16.039216 11.485036 H 7.213216 15.842999 11.687791 C 9.074481 15.019607 10.996784 H 8.654952 14.029817 10.832832 C 9.720888 12.882607 8.853181 C 9.030240 11.713027 9.175162 H 9.461064 10.992003 9.868274 C 7.778373 11.496199 8.608883 H 7.228258 10.589941 8.862546 C 7.204281 12.427399 7.721918 C 7.934957 13.589568 7.412417 H 7.513970 14.317657 6.719062 C 9.185349 13.827450 7.973711 H 9.741555 14.733112 7.734788 C 5.839778 12.197289 7.144491 H 5.641271 11.129728 6.989278 H 5.707575 12.724989 6.192808 H 5.066422 12.570701 7.834489 C 16.051131 14.958179 10.684084 H 16.000973 15.244892 9.635803 C 16.517248 15.825783 11.667479 H 16.857658 16.826438 11.409344 C 16.526588 15.365884 12.986888 H 16.891318 15.986429 13.806884 N 16.079697 14.144216 13.315171 C 15.644183 13.376656 12.324677 C 15.120948 12.042799 12.520808 C 14.391890 10.043996 13.073921 C 13.992854 8.871224 13.830571 C 13.518347 8.955456 15.157633 H 13.432962 9.918784 15.654551 C 13.125923 7.800281 15.825237 H 12.749373 7.868749 16.844746 C 13.205639 6.556314 15.189806 H 12.904190 5.654426 15.721499 C 13.665071 6.467821 13.869202 H 13.725903 5.498035 13.377319 C 14.049144 7.616110 13.187421 H 14.409615 7.556865 12.161741 C 15.237559 11.519511 14.970497 C 14.555958 12.539642 15.637136 H 13.796581 13.124261 15.119334 C 14.852101 12.781455 16.974055 H 14.317372 13.569796 17.504284 C 15.822877 12.023327 17.657902 C 16.494774 11.010649 16.950799 H 17.256765 10.418699 17.457511 C 16.207068 10.748658 15.614030 H 16.727212 9.954887 15.079027 C 16.115478 12.283481 19.105800 H 16.234541 13.357641 19.301359 H 17.021362 11.764571 19.437519 H 15.280943 11.938156 19.735155 C 17.446926 10.804291 10.030809 H 16.990680 10.363846 10.915427 C 18.727071 10.457565 9.611106 C 19.213951 11.064458 8.449045 H 20.206548 10.836332 8.057317 N 18.489531 11.956379 7.757698 C 17.275998 12.239576 8.217835 C 16.375763 13.167057 7.573786 C 15.132236 14.478080 6.323420 C 14.664053 15.355098 5.264102 C 15.539575 16.195580 4.545944 H 16.603585 16.208919 4.771777 C 15.035750 17.034305 3.556937 H 15.711821 17.690323 3.010609 C 13.666766 17.041302 3.268646 H 13.279769 17.694678 2.487483 C 12.792459 16.214516 3.984408 H 11.727758 16.220591 3.755095 C 13.282455 15.379986 4.982702 H 12.612159 14.728664 5.541665 C 17.426778 13.885085 5.407745 C 18.663591 14.451869 5.717402 H 18.849350 14.862102 6.709211 C 19.644525 14.503897 4.731865 H 20.608430 14.958263 4.961255 C 19.411041 13.994920 3.440107 C 18.153109 13.426936 3.165837 H 17.950817 13.028188 2.171782 C 17.159211 13.368755 4.137584 H 16.183696 12.939629 3.911815 C 20.480914 14.039771 2.390070 H 21.088206 13.121348 2.424684 H 21.162843 14.884681 2.542879 H 20.055006 14.106198 1.381769 H 19.319292 9.736148 10.170320 Fe2 Pyridine Fe 14.877811 12.334657 9.765387 N 13.862957 10.990775 8.732987 N 13.132009 13.059771 9.978346 N 12.655381 14.157964 10.605486 N 10.998335 13.143123 9.514910 N 15.622537 13.689147 10.985378 N 14.759029 11.352933 11.401921 N 14.313190 10.113224 11.728729 N 14.895707 11.206492 13.582139 N 16.661732 11.639866 9.279621 N 15.168882 13.343116 8.165062 N 14.405930 14.207777 7.449790 N 16.342310 13.880756 6.394103 C 14.366042 9.892818 8.142532 H 15.428408 9.714150 8.288896 C 13.587181 9.023244 7.384193 H 14.048642 8.147490 6.932180 C 12.228842 9.297799 7.216578 H 11.597819 8.641103 6.619718 C 11.686200 10.424511 7.829718 H 10.631528 10.669468 7.729888 C 12.518902 11.247665 8.590952 C 12.154390 12.433860 9.322410 C 11.349731 14.220988 10.320644 C 10.467750 15.285027 10.785764 C 11.046320 16.537316 11.070988 H 12.115662 16.671742 10.916443 C 10.254977 17.584712 11.532524 H 10.707986 18.552915 11.743002 C 8.881348 17.398551 11.718464 H 8.262627 18.220476 12.077160 C 8.303287 16.156054 11.445833 H 7.235768 16.004555 11.601206 C 9.086667 15.101218 10.981523 H 8.624049 14.136231 10.788277 C 9.726035 12.869201 8.904373 C 8.939993 11.820142 9.381376 H 9.286665 11.215464 10.219492 C 7.708260 11.566511 8.777411 H 7.091357 10.747225 9.147328 C 7.244764 12.352241 7.710030 C 8.060655 13.402084 7.254932 H 7.720570 14.024094 6.426367 C 9.296633 13.664400 7.841558 H 9.922829 14.484042 7.491178 C 5.902255 12.095649 7.083435 H 5.520478 11.100688 7.339877 H 5.948543 12.179717 5.989961 H 5.165437 12.834561 7.432419 C 16.044293 14.917583 10.636834 H 15.979047 15.163547 9.580022 C 16.520599 15.838467 11.565452 H 16.847275 16.819596 11.226414 C 16.567807 15.483880 12.914762 H 16.943667 16.181894 13.661154 C 16.117902 14.222738 13.297787 H 16.126635 13.911922 14.339616 C 15.640907 13.349857 12.317765 C 15.115597 12.020394 12.502481 C 14.395055 10.017009 13.061064 C 14.024976 8.826046 13.817699 C 13.562280 8.882535 15.145406 H 13.461174 9.837281 15.655836 C 13.207416 7.709527 15.808462 H 12.843978 7.761084 16.834065 C 13.308776 6.474583 15.162788 H 13.034573 5.560655 15.688652 C 13.758222 6.413486 13.839887 H 13.836404 5.452130 13.333448 C 14.112342 7.579430 13.167802 H 14.464202 7.542629 12.138023 C 15.178740 11.529907 14.954566 C 14.351398 12.427287 15.630829 H 13.497773 12.872360 15.119612 C 14.631155 12.736617 16.961610 H 13.987589 13.438076 17.493045 C 15.720263 12.155070 17.631043 C 16.533685 11.256076 16.920471 H 17.387045 10.796023 17.419420 C 16.272786 10.941032 15.588579 H 16.903546 10.237500 15.046391 C 15.997206 12.465002 19.075895 H 15.508440 13.394453 19.390370 H 17.074080 12.554626 19.267396 H 15.620681 11.657664 19.721940 C 17.367110 10.711461 9.957684 H 16.884856 10.303062 10.842777 C 18.624155 10.274884 9.551058 H 19.143262 9.519202 10.137483 C 19.192160 10.812725 8.393280 H 20.172932 10.486698 8.050846 C 18.483383 11.774967 7.678488 H 18.889680 12.217110 6.771935 C 17.226299 12.173576 8.140643 C 16.331467 13.129980 7.541167 C 15.116562 14.538453 6.365259 C 14.635918 15.434567 5.319742 C 15.498287 16.214704 4.527954 H 16.574553 16.175101 4.677949 C 14.972877 17.064454 3.556539 H 15.646261 17.670791 2.952034 C 13.591780 17.146412 3.361928 H 13.187453 17.809661 2.598045 C 12.729459 16.378860 4.151321 H 11.652258 16.441332 4.000876 C 13.244049 15.529477 5.125858 H 12.583337 14.923234 5.743502 C 17.390576 13.902435 5.409552 C 18.565396 14.609596 5.672978 H 18.680381 15.143983 6.616095 C 19.576206 14.628265 4.713773 H 20.494549 15.180152 4.916255 C 19.428490 13.957891 3.487121 C 18.236271 13.253206 3.255419 H 18.102919 12.721459 2.313070 C 17.217644 13.218631 4.207070 H 16.293156 12.674250 4.018044 C 20.507409 14.020307 2.442305 H 20.462272 13.161584 1.762034 H 21.505657 14.054853 2.895981 H 20.397028 14.929238 1.831581 Pyridazine Fe 8.354178 4.504810 7.390455 N 7.529856 4.938372 10.109673 C 7.626308 5.512923 11.313750 H 6.886064 5.174786 12.038386 C 9.477682 6.859409 10.644714 C 9.362759 6.232818 9.400887 C 10.135863 6.449009 8.207768 C 11.431512 7.001822 6.522014 C 12.437627 7.641550 5.683382 C 12.186295 7.713872 4.299077 H 11.252575 7.311183 3.909373 C 13.117489 8.305340 3.450569 H 12.912451 8.367340 2.382386 C 14.307995 8.826580 3.967355 H 15.033872 9.292548 3.301739 C 14.567041 8.747947 5.338302 H 15.498948 9.142368 5.741546 C 13.640545 8.160148 6.197257 H 13.864031 8.092473 7.259385 C 11.815376 8.223548 8.728036 C 12.698078 7.784093 9.715204 H 12.913073 6.720634 9.820062 C 13.303869 8.723114 10.550634 H 13.994871 8.384219 11.322862 C 13.047852 10.096353 10.408121 C 12.153041 10.504937 9.404069 H 11.937522 11.566350 9.277941 C 11.534015 9.580520 8.565470 H 10.845456 9.903314 7.785548 C 13.725389 11.108803 11.289066 H 14.194956 10.637895 12.160302 H 13.015664 11.867352 11.644442 H 14.511491 11.640687 10.732684 N 10.058040 2.896074 9.040701 C 10.896189 1.877466 9.263534 H 11.207541 1.765326 10.301689 C 10.917910 1.247780 6.962122 C 10.041355 2.316520 6.757906 C 9.432013 2.767314 5.536763 C 8.612932 3.225166 3.550478 C 8.317465 3.211283 2.122999 C 7.057939 3.685555 1.707209 H 6.347817 4.027928 2.458154 C 6.730840 3.710092 0.354992 H 5.752247 4.071984 0.041574 C 7.653192 3.268715 -0.599160 H 7.394891 3.287051 -1.657423 C 8.908947 2.809106 -0.193921 H 9.634983 2.478520 -0.935678 C 9.245290 2.777846 1.157933 H 10.233695 2.435632 1.454939 C 10.323851 1.335402 3.700625 C 9.731325 0.131371 3.321790 H 8.653342 0.002659 3.411632 C 10.536828 -0.890378 2.821007 H 10.077557 -1.832748 2.521513 C 11.926883 -0.730478 2.696621 C 12.493695 0.491725 3.096405 H 13.570840 0.637204 3.009679 C 11.702674 1.526943 3.592823 H 12.143329 2.479738 3.886575 C 12.781820 -1.826830 2.124452 H 12.348540 -2.816186 2.314526 H 13.797305 -1.804046 2.538245 H 12.871325 -1.713548 1.033335 N 7.235951 6.934172 6.344252 C 6.226543 7.701865 5.919984 C 4.590963 6.065783 6.503628 H 3.571773 5.694666 6.587216 C 5.664480 5.284069 6.940913 C 5.650606 3.964172 7.509733 C 5.355060 1.939728 8.309777 C 4.755434 0.696329 8.778442 C 3.479778 0.644191 9.370140 H 2.892288 1.550081 9.500294 C 2.969931 -0.572577 9.818372 H 1.984947 -0.604016 10.282496 C 3.718430 -1.744797 9.683425 H 3.312801 -2.693698 10.032720 C 4.990914 -1.697107 9.105377 H 5.578157 -2.608938 9.002669 C 5.510445 -0.486383 8.657373 H 6.500973 -0.438470 8.207785 C 3.262255 3.260617 7.694124 C 2.591698 4.136759 8.549073 H 3.139454 4.653495 9.337155 C 1.219628 4.326764 8.386279 H 0.692511 5.010046 9.052683 C 0.503487 3.644919 7.388527 C 1.209278 2.771116 6.544308 H 0.673935 2.234955 5.760240 C 2.581686 2.575974 6.687174 H 3.121475 1.892791 6.032525 C -0.982530 3.821773 7.244399 H -1.317348 4.780891 7.656880 H -1.517804 3.026376 7.784850 H -1.293747 3.764650 6.193940 N 8.397185 5.279307 9.171159 C 8.587621 6.477660 11.636434 N 9.784041 5.750877 7.127360 N 11.182804 7.262530 7.865427 N 10.576998 6.068557 6.082864 N 6.960280 5.735141 6.829985 C 4.883347 7.309987 5.967832 N 6.836078 3.406584 7.761178 N 4.677168 3.064626 7.852783 N 6.675492 2.157622 8.245082 N 9.619938 3.099304 7.808864 C 11.350210 1.015179 8.258918 N 8.552982 3.765681 5.636461 N 9.505828 2.396662 4.221503 N 8.031774 4.056326 4.426463 H 4.098939 7.969075 5.600399 H 8.622251 6.916958 12.631646 H 10.242337 7.615362 10.810669 H 12.026945 0.195881 8.494118 H 11.238531 0.632435 6.124187 H 6.528638 8.672146 5.526867 4Pyrimidine Fe 14.765815 12.361287 9.769399 N 13.769217 11.028663 8.710411 N 13.031052 13.101541 9.949335 N 12.560105 14.188730 10.574892 N 10.902467 13.173474 9.469861 N 15.559945 13.706949 10.981394 N 14.641503 11.382266 11.404511 N 14.166176 10.167057 11.728815 N 14.890152 11.209391 13.569950 N 16.597633 11.688182 9.336737 N 15.095501 13.347575 8.146729 N 14.324681 14.141298 7.380079 N 16.323983 13.884837 6.417520 C 14.261733 9.931763 8.105094 H 15.322567 9.728699 8.246560 N 13.561444 9.085378 7.359628 C 12.254157 9.346032 7.192492 H 11.693635 8.647184 6.569207 C 11.628837 10.445549 7.782542 H 10.566788 10.642326 7.654810 C 12.427112 11.285636 8.556849 C 12.051923 12.472851 9.279363 C 11.247006 14.255413 10.286670 C 10.367240 15.304357 10.762114 C 10.955359 16.537743 11.125429 H 12.030586 16.667785 11.016239 C 10.160848 17.575224 11.594738 H 10.614178 18.529535 11.859071 C 8.776493 17.397297 11.721995 H 8.155466 18.212521 12.091873 C 8.189501 16.173096 11.379944 H 7.115957 16.032270 11.496501 C 8.972245 15.129642 10.898837 H 8.504981 14.179122 10.655112 C 9.626417 12.878607 8.865045 C 8.878295 11.795908 9.329771 H 9.245253 11.184835 10.154816 C 7.644581 11.526994 8.736699 H 7.051879 10.686532 9.097981 C 7.145219 12.326576 7.693733 C 7.928609 13.409643 7.253239 H 7.560752 14.041573 6.444541 C 9.164109 13.693031 7.829588 H 9.760183 14.539948 7.491373 C 5.803309 12.051589 7.079732 H 5.436778 11.050939 7.334224 H 5.837073 12.145770 5.986663 H 5.060791 12.779717 7.439935 C 15.995999 14.937317 10.653680 H 15.899193 15.227782 9.608531 N 16.514596 15.818915 11.500993 C 16.609046 15.454830 12.790158 H 17.049616 16.183894 13.472349 C 16.161164 14.215725 13.252956 H 16.218451 13.936683 14.302610 C 15.623903 13.346668 12.305537 C 15.080899 12.025579 12.499146 C 14.317162 10.038268 13.061516 C 13.948304 8.851793 13.807490 C 13.671398 8.873917 15.192520 H 13.713450 9.803834 15.752913 C 13.310805 7.699542 15.843439 H 13.087297 7.720863 16.909016 C 13.228485 6.495079 15.134735 H 12.953712 5.577335 15.653681 C 13.494547 6.467212 13.759029 H 13.432099 5.528512 13.210441 C 13.845216 7.634747 13.094604 H 14.058839 7.621041 12.027316 C 15.275779 11.513476 14.928041 C 14.503771 12.406217 15.672853 H 13.609603 12.856195 15.240759 C 14.886651 12.694621 16.982905 H 14.285462 13.385704 17.573845 C 16.024082 12.102306 17.559229 C 16.778587 11.210155 16.774677 H 17.667092 10.742022 17.198974 C 16.414401 10.909473 15.464427 H 17.000664 10.209860 14.869354 C 16.416025 12.393446 18.978637 H 15.881158 13.262053 19.378191 H 17.495258 12.574875 19.065392 H 16.185498 11.532570 19.624164 C 17.318963 10.784693 10.032848 H 16.836208 10.341621 10.903077 N 18.545078 10.379005 9.729549 C 19.119313 10.911493 8.636958 H 20.126805 10.566727 8.398170 C 18.473230 11.855940 7.838350 H 18.945082 12.280277 6.955021 C 17.188582 12.240145 8.222490 C 16.298368 13.171670 7.580980 C 15.071789 14.486862 6.313494 C 14.610117 15.348461 5.240861 C 15.490478 16.140253 4.474473 H 16.558920 16.135685 4.675431 C 14.986200 16.960107 3.469949 H 15.666781 17.579070 2.887230 C 13.611477 16.997808 3.213231 H 13.224326 17.637490 2.420898 C 12.731923 16.219124 3.975591 H 11.662618 16.249268 3.771047 C 13.222477 15.403400 4.987811 H 12.548698 14.788761 5.582560 C 17.421614 13.922536 5.482399 C 18.572713 14.643132 5.809294 H 18.634415 15.186470 6.752660 C 19.628402 14.673869 4.899659 H 20.527532 15.239300 5.145147 C 19.549575 14.000899 3.666224 C 18.375188 13.283049 3.374407 H 18.295800 12.748553 2.427664 C 17.309706 13.238750 4.270657 H 16.402013 12.685194 4.032560 C 20.675098 14.070374 2.676494 H 20.753446 13.147964 2.088489 H 21.636618 14.260063 3.167578 H 20.504111 14.893114 1.964853 Pyrazine Fe 8.162348 4.404397 7.437343 C 7.446962 5.120714 10.271555 H 6.684084 4.350332 10.184183 C 7.605120 5.868859 11.441865 H 6.951339 5.695780 12.298093 C 9.354416 7.013755 10.523889 H 10.125502 7.779432 10.617631 C 9.233898 6.271254 9.338002 C 10.023137 6.367794 8.138690 C 11.417614 6.657753 6.460261 C 12.494794 7.128418 5.606358 C 12.321748 7.011985 4.210055 H 11.390700 6.602956 3.820487 C 13.323223 7.439271 3.345697 H 13.178843 7.363902 2.268707 C 14.509817 7.977455 3.857371 H 15.291869 8.315244 3.178263 C 14.692225 8.083722 5.239500 H 15.619936 8.492478 5.637371 C 13.693592 7.666942 6.115740 H 13.857463 7.745264 7.187352 C 11.828211 8.026362 8.588765 C 12.674314 7.581217 9.605277 H 12.832781 6.514238 9.763697 C 13.325932 8.524129 10.400769 H 13.989931 8.183854 11.195330 C 13.149615 9.902510 10.191302 C 12.288101 10.312875 9.156789 H 12.135563 11.377401 8.977432 C 11.624809 9.387273 8.354507 H 10.967320 9.716026 7.550217 C 13.867701 10.915908 11.034430 H 14.392139 10.448727 11.875034 H 13.170400 11.665132 11.433062 H 14.610219 11.461300 10.433526 C 9.872847 2.597490 9.083036 H 9.448277 3.102273 9.947636 C 10.812663 1.569409 9.217990 H 11.143026 1.253936 10.208870 C 10.923674 1.314658 6.951451 H 11.345073 0.799786 6.087504 C 9.978262 2.336083 6.780202 C 9.380658 2.816231 5.562968 C 8.569910 3.329695 3.583774 C 8.340121 3.405253 2.155199 C 7.068118 3.842053 1.716837 H 6.304798 4.081850 2.454847 C 6.796727 3.943450 0.359510 H 5.812016 4.266311 0.024651 C 7.786930 3.624319 -0.580482 H 7.571315 3.704652 -1.645436 C 9.054483 3.208734 -0.154294 H 9.826878 2.979001 -0.886791 C 9.337020 3.095973 1.202072 H 10.332504 2.795033 1.517360 C 10.521353 1.663610 3.686072 C 10.121761 0.445241 3.135396 H 9.068133 0.169163 3.111986 C 11.095064 -0.404128 2.612114 H 10.792136 -1.357525 2.179465 C 12.457690 -0.056952 2.630293 C 12.822144 1.182766 3.191946 H 13.871812 1.477179 3.203578 C 11.865929 2.045759 3.720406 H 12.148167 3.013558 4.135715 C 13.501447 -0.983659 2.080659 H 13.061714 -1.762609 1.448104 H 14.039008 -1.484557 2.900504 H 14.252215 -0.437418 1.495060 C 6.954788 6.824996 6.200250 H 7.979433 7.161579 6.062907 C 5.862654 7.561134 5.726091 H 6.021349 8.514393 5.219602 C 4.408495 5.968531 6.474859 H 3.382439 5.615488 6.582066 C 5.478261 5.208850 6.968463 C 5.449247 3.919205 7.611165 C 5.149245 1.920590 8.489235 C 4.542442 0.716904 9.022125 C 3.246102 0.701503 9.584568 H 2.653864 1.611315 9.641536 C 2.733286 -0.481546 10.103937 H 1.739389 -0.488988 10.548870 C 3.493341 -1.657011 10.067343 H 3.082738 -2.581487 10.472070 C 4.783481 -1.646544 9.518965 H 5.371378 -2.562876 9.492635 C 5.311060 -0.469642 9.005225 H 6.310110 -0.451480 8.573230 C 3.060609 3.227653 7.797206 C 2.394647 4.174332 8.580104 H 2.937648 4.754730 9.326524 C 1.021441 4.340083 8.414031 H 0.494008 5.066982 9.031873 C 0.300733 3.573821 7.478244 C 1.005710 2.628429 6.710152 H 0.466851 2.020651 5.983144 C 2.378144 2.447784 6.860929 H 2.911827 1.706062 6.267619 C -1.174259 3.771024 7.293604 H -1.652285 4.135209 8.210531 H -1.669264 2.844100 6.980244 H -1.362660 4.520073 6.508346 N 8.255209 5.315634 9.215202 N 8.546196 6.814135 11.566479 N 9.648932 5.602110 7.109766 N 11.141782 7.056891 7.767270 N 10.496621 5.755363 6.072490 N 6.767871 5.652993 6.821233 N 4.600543 7.136849 5.857216 N 6.640490 3.360097 7.891125 N 4.478386 3.039163 7.972481 N 6.473661 2.133270 8.425151 N 9.456008 2.985483 7.870175 N 11.338012 0.935184 8.162391 N 8.374476 3.697679 5.695024 N 9.535055 2.554522 4.241648 N 7.864317 4.019132 4.496149 2Pyrimidine Fe 14.869267 12.356733 9.779598 N 13.886470 11.001393 8.737418 N 13.126723 13.082045 9.955267 N 12.651446 14.181205 10.562358 N 11.000712 13.147966 9.456521 N 15.624193 13.721610 10.994374 N 14.745998 11.378541 11.418349 N 14.294174 10.148805 11.736684 N 14.917953 11.231876 13.594892 N 16.699782 11.690369 9.342888 N 15.185753 13.350494 8.160509 N 14.403175 14.145375 7.404321 N 16.382281 13.865555 6.399596 C 14.367310 9.891617 8.149882 H 15.427918 9.687080 8.279905 C 13.541060 9.049214 7.412884 H 13.937961 8.150371 6.945570 C 12.193797 9.403391 7.296719 H 11.491192 8.798289 6.721577 N 11.694461 10.497674 7.889275 C 12.541192 11.247310 8.584470 C 12.152287 12.443376 9.292494 C 11.341796 14.236669 10.267287 C 10.442473 15.268143 10.749223 C 10.980598 16.546068 11.013372 H 12.036363 16.729097 10.820748 C 10.158825 17.559736 11.490334 H 10.570293 18.550802 11.676481 C 8.799919 17.310022 11.725310 H 8.158821 18.106529 12.101611 C 8.265012 16.039216 11.485036 H 7.213216 15.842999 11.687791 C 9.074481 15.019607 10.996784 H 8.654952 14.029817 10.832832 C 9.720888 12.882607 8.853181 C 9.030240 11.713027 9.175162 H 9.461064 10.992003 9.868274 C 7.778373 11.496199 8.608883 H 7.228258 10.589941 8.862546 C 7.204281 12.427399 7.721918 C 7.934957 13.589568 7.412417 H 7.513970 14.317657 6.719062 C 9.185349 13.827450 7.973711 H 9.741555 14.733112 7.734788 C 5.839778 12.197289 7.144491 H 5.641271 11.129728 6.989278 H 5.707575 12.724989 6.192808 H 5.066422 12.570701 7.834489 C 16.051131 14.958179 10.684084 H 16.000973 15.244892 9.635803 C 16.517248 15.825783 11.667479 H 16.857658 16.826438 11.409344 C 16.526588 15.365884 12.986888 H 16.891318 15.986429 13.806884 N 16.079697 14.144216 13.315171 C 15.644183 13.376656 12.324677 C 15.120948 12.042799 12.520808 C 14.391890 10.043996 13.073921 C 13.992854 8.871224 13.830571 C 13.518347 8.955456 15.157633 H 13.432962 9.918784 15.654551 C 13.125923 7.800281 15.825237 H 12.749373 7.868749 16.844746 C 13.205639 6.556314 15.189806 H 12.904190 5.654426 15.721499 C 13.665071 6.467821 13.869202 H 13.725903 5.498035 13.377319 C 14.049144 7.616110 13.187421 H 14.409615 7.556865 12.161741 C 15.237559 11.519511 14.970497 C 14.555958 12.539642 15.637136 H 13.796581 13.124261 15.119334 C 14.852101 12.781455 16.974055 H 14.317372 13.569796 17.504284 C 15.822877 12.023327 17.657902 C 16.494774 11.010649 16.950799 H 17.256765 10.418699 17.457511 C 16.207068 10.748658 15.614030 H 16.727212 9.954887 15.079027 C 16.115478 12.283481 19.105800 H 16.234541 13.357641 19.301359 H 17.021362 11.764571 19.437519 H 15.280943 11.938156 19.735155 C 17.446926 10.804291 10.030809 H 16.990680 10.363846 10.915427 C 18.727071 10.457565 9.611106 C 19.213951 11.064458 8.449045 H 20.206548 10.836332 8.057317 N 18.489531 11.956379 7.757698 C 17.275998 12.239576 8.217835 C 16.375763 13.167057 7.573786 C 15.132236 14.478080 6.323420 C 14.664053 15.355098 5.264102 C 15.539575 16.195580 4.545944 H 16.603585 16.208919 4.771777 C 15.035750 17.034305 3.556937 H 15.711821 17.690323 3.010609 C 13.666766 17.041302 3.268646 H 13.279769 17.694678 2.487483 C 12.792459 16.214516 3.984408 H 11.727758 16.220591 3.755095 C 13.282455 15.379986 4.982702 H 12.612159 14.728664 5.541665 C 17.426778 13.885085 5.407745 C 18.663591 14.451869 5.717402 H 18.849350 14.862102 6.709211 C 19.644525 14.503897 4.731865 H 20.608430 14.958263 4.961255 C 19.411041 13.994920 3.440107 C 18.153109 13.426936 3.165837 H 17.950817 13.028188 2.171782 C 17.159211 13.368755 4.137584 H 16.183696 12.939629 3.911815 C 20.480914 14.039771 2.390070 H 21.088206 13.121348 2.424684 H 21.162843 14.884681 2.542879 H 20.055006 14.106198 1.381769 H 19.319292 9.736148 10.170320 Ru2 Pyridine Fe 14.877811 12.334657 9.765387 N 13.862957 10.990775 8.732987 N 13.132009 13.059771 9.978346 N 12.655381 14.157964 10.605486 N 10.998335 13.143123 9.514910 N 15.622537 13.689147 10.985378 N 14.759029 11.352933 11.401921 N 14.313190 10.113224 11.728729 N 14.895707 11.206492 13.582139 N 16.661732 11.639866 9.279621 N 15.168882 13.343116 8.165062 N 14.405930 14.207777 7.449790 N 16.342310 13.880756 6.394103 C 14.366042 9.892818 8.142532 H 15.428408 9.714150 8.288896 C 13.587181 9.023244 7.384193 H 14.048642 8.147490 6.932180 C 12.228842 9.297799 7.216578 H 11.597819 8.641103 6.619718 C 11.686200 10.424511 7.829718 H 10.631528 10.669468 7.729888 C 12.518902 11.247665 8.590952 C 12.154390 12.433860 9.322410 C 11.349731 14.220988 10.320644 C 10.467750 15.285027 10.785764 C 11.046320 16.537316 11.070988 H 12.115662 16.671742 10.916443 C 10.254977 17.584712 11.532524 H 10.707986 18.552915 11.743002 C 8.881348 17.398551 11.718464 H 8.262627 18.220476 12.077160 C 8.303287 16.156054 11.445833 H 7.235768 16.004555 11.601206 C 9.086667 15.101218 10.981523 H 8.624049 14.136231 10.788277 C 9.726035 12.869201 8.904373 C 8.939993 11.820142 9.381376 H 9.286665 11.215464 10.219492 C 7.708260 11.566511 8.777411 H 7.091357 10.747225 9.147328 C 7.244764 12.352241 7.710030 C 8.060655 13.402084 7.254932 H 7.720570 14.024094 6.426367 C 9.296633 13.664400 7.841558 H 9.922829 14.484042 7.491178 C 5.902255 12.095649 7.083435 H 5.520478 11.100688 7.339877 H 5.948543 12.179717 5.989961 H 5.165437 12.834561 7.432419 C 16.044293 14.917583 10.636834 H 15.979047 15.163547 9.580022 C 16.520599 15.838467 11.565452 H 16.847275 16.819596 11.226414 C 16.567807 15.483880 12.914762 H 16.943667 16.181894 13.661154 C 16.117902 14.222738 13.297787 H 16.126635 13.911922 14.339616 C 15.640907 13.349857 12.317765 C 15.115597 12.020394 12.502481 C 14.395055 10.017009 13.061064 C 14.024976 8.826046 13.817699 C 13.562280 8.882535 15.145406 H 13.461174 9.837281 15.655836 C 13.207416 7.709527 15.808462 H 12.843978 7.761084 16.834065 C 13.308776 6.474583 15.162788 H 13.034573 5.560655 15.688652 C 13.758222 6.413486 13.839887 H 13.836404 5.452130 13.333448 C 14.112342 7.579430 13.167802 H 14.464202 7.542629 12.138023 C 15.178740 11.529907 14.954566 C 14.351398 12.427287 15.630829 H 13.497773 12.872360 15.119612 C 14.631155 12.736617 16.961610 H 13.987589 13.438076 17.493045 C 15.720263 12.155070 17.631043 C 16.533685 11.256076 16.920471 H 17.387045 10.796023 17.419420 C 16.272786 10.941032 15.588579 H 16.903546 10.237500 15.046391 C 15.997206 12.465002 19.075895 H 15.508440 13.394453 19.390370 H 17.074080 12.554626 19.267396 H 15.620681 11.657664 19.721940 C 17.367110 10.711461 9.957684 H 16.884856 10.303062 10.842777 C 18.624155 10.274884 9.551058 H 19.143262 9.519202 10.137483 C 19.192160 10.812725 8.393280 H 20.172932 10.486698 8.050846 C 18.483383 11.774967 7.678488 H 18.889680 12.217110 6.771935 C 17.226299 12.173576 8.140643 C 16.331467 13.129980 7.541167 C 15.116562 14.538453 6.365259 C 14.635918 15.434567 5.319742 C 15.498287 16.214704 4.527954 H 16.574553 16.175101 4.677949 C 14.972877 17.064454 3.556539 H 15.646261 17.670791 2.952034 C 13.591780 17.146412 3.361928 H 13.187453 17.809661 2.598045 C 12.729459 16.378860 4.151321 H 11.652258 16.441332 4.000876 C 13.244049 15.529477 5.125858 H 12.583337 14.923234 5.743502 C 17.390576 13.902435 5.409552 C 18.565396 14.609596 5.672978 H 18.680381 15.143983 6.616095 C 19.576206 14.628265 4.713773 H 20.494549 15.180152 4.916255 C 19.428490 13.957891 3.487121 C 18.236271 13.253206 3.255419 H 18.102919 12.721459 2.313070 C 17.217644 13.218631 4.207070 H 16.293156 12.674250 4.018044 C 20.507409 14.020307 2.442305 H 20.462272 13.161584 1.762034 H 21.505657 14.054853 2.895981 H 20.397028 14.929238 1.831581 Pyridazine Fe 8.354178 4.504810 7.390455 N 7.529856 4.938372 10.109673 C 7.626308 5.512923 11.313750 H 6.886064 5.174786 12.038386 C 9.477682 6.859409 10.644714 C 9.362759 6.232818 9.400887 C 10.135863 6.449009 8.207768 C 11.431512 7.001822 6.522014 C 12.437627 7.641550 5.683382 C 12.186295 7.713872 4.299077 H 11.252575 7.311183 3.909373 C 13.117489 8.305340 3.450569 H 12.912451 8.367340 2.382386 C 14.307995 8.826580 3.967355 H 15.033872 9.292548 3.301739 C 14.567041 8.747947 5.338302 H 15.498948 9.142368 5.741546 C 13.640545 8.160148 6.197257 H 13.864031 8.092473 7.259385 C 11.815376 8.223548 8.728036 C 12.698078 7.784093 9.715204 H 12.913073 6.720634 9.820062 C 13.303869 8.723114 10.550634 H 13.994871 8.384219 11.322862 C 13.047852 10.096353 10.408121 C 12.153041 10.504937 9.404069 H 11.937522 11.566350 9.277941 C 11.534015 9.580520 8.565470 H 10.845456 9.903314 7.785548 C 13.725389 11.108803 11.289066 H 14.194956 10.637895 12.160302 H 13.015664 11.867352 11.644442 H 14.511491 11.640687 10.732684 N 10.058040 2.896074 9.040701 C 10.896189 1.877466 9.263534 H 11.207541 1.765326 10.301689 C 10.917910 1.247780 6.962122 C 10.041355 2.316520 6.757906 C 9.432013 2.767314 5.536763 C 8.612932 3.225166 3.550478 C 8.317465 3.211283 2.122999 C 7.057939 3.685555 1.707209 H 6.347817 4.027928 2.458154 C 6.730840 3.710092 0.354992 H 5.752247 4.071984 0.041574 C 7.653192 3.268715 -0.599160 H 7.394891 3.287051 -1.657423 C 8.908947 2.809106 -0.193921 H 9.634983 2.478520 -0.935678 C 9.245290 2.777846 1.157933 H 10.233695 2.435632 1.454939 C 10.323851 1.335402 3.700625 C 9.731325 0.131371 3.321790 H 8.653342 0.002659 3.411632 C 10.536828 -0.890378 2.821007 H 10.077557 -1.832748 2.521513 C 11.926883 -0.730478 2.696621 C 12.493695 0.491725 3.096405 H 13.570840 0.637204 3.009679 C 11.702674 1.526943 3.592823 H 12.143329 2.479738 3.886575 C 12.781820 -1.826830 2.124452 H 12.348540 -2.816186 2.314526 H 13.797305 -1.804046 2.538245 H 12.871325 -1.713548 1.033335 N 7.235951 6.934172 6.344252 C 6.226543 7.701865 5.919984 C 4.590963 6.065783 6.503628 H 3.571773 5.694666 6.587216 C 5.664480 5.284069 6.940913 C 5.650606 3.964172 7.509733 C 5.355060 1.939728 8.309777 C 4.755434 0.696329 8.778442 C 3.479778 0.644191 9.370140 H 2.892288 1.550081 9.500294 C 2.969931 -0.572577 9.818372 H 1.984947 -0.604016 10.282496 C 3.718430 -1.744797 9.683425 H 3.312801 -2.693698 10.032720 C 4.990914 -1.697107 9.105377 H 5.578157 -2.608938 9.002669 C 5.510445 -0.486383 8.657373 H 6.500973 -0.438470 8.207785 C 3.262255 3.260617 7.694124 C 2.591698 4.136759 8.549073 H 3.139454 4.653495 9.337155 C 1.219628 4.326764 8.386279 H 0.692511 5.010046 9.052683 C 0.503487 3.644919 7.388527 C 1.209278 2.771116 6.544308 H 0.673935 2.234955 5.760240 C 2.581686 2.575974 6.687174 H 3.121475 1.892791 6.032525 C -0.982530 3.821773 7.244399 H -1.317348 4.780891 7.656880 H -1.517804 3.026376 7.784850 H -1.293747 3.764650 6.193940 N 8.397185 5.279307 9.171159 C 8.587621 6.477660 11.636434 N 9.784041 5.750877 7.127360 N 11.182804 7.262530 7.865427 N 10.576998 6.068557 6.082864 N 6.960280 5.735141 6.829985 C 4.883347 7.309987 5.967832 N 6.836078 3.406584 7.761178 N 4.677168 3.064626 7.852783 N 6.675492 2.157622 8.245082 N 9.619938 3.099304 7.808864 C 11.350210 1.015179 8.258918 N 8.552982 3.765681 5.636461 N 9.505828 2.396662 4.221503 N 8.031774 4.056326 4.426463 H 4.098939 7.969075 5.600399 H 8.622251 6.916958 12.631646 H 10.242337 7.615362 10.810669 H 12.026945 0.195881 8.494118 H 11.238531 0.632435 6.124187 H 6.528638 8.672146 5.526867 4Pyrimidine Fe 14.652728 12.192537 10.098355 N 13.646090 10.815513 9.114791 N 12.903131 12.941907 10.248005 N 12.487095 14.156104 10.660199 N 10.940826 13.257967 9.330525 N 15.376705 13.565855 11.302333 N 14.670066 11.191625 11.722556 N 14.366901 9.911543 12.034115 N 15.066601 10.970609 13.867427 N 16.450727 11.584072 9.528308 N 14.841219 13.204487 8.487042 N 14.006177 14.037409 7.824997 N 15.864689 13.756823 6.628386 C 14.099187 9.631392 8.663007 H 15.127001 9.376188 8.917941 N 13.404951 8.761860 7.936525 C 12.138419 9.096517 7.630105 H 11.580918 8.383331 7.020691 C 11.548019 10.280547 8.066850 H 10.516939 10.531597 7.828875 C 12.337031 11.134818 8.837341 C 11.985685 12.384437 9.451866 C 11.291415 14.366432 10.089726 C 10.537833 15.604849 10.224518 C 11.253389 16.770187 10.566896 H 12.329806 16.705861 10.717267 C 10.587751 17.983907 10.704830 H 11.147792 18.881124 10.965923 C 9.204567 18.052673 10.507615 H 8.684567 19.003869 10.616599 C 8.488526 16.899082 10.176993 H 7.409414 16.947747 10.036774 C 9.145612 15.678862 10.034294 H 8.571991 14.787767 9.791455 C 9.850895 13.108604 8.402055 C 8.743996 12.332502 8.744909 H 8.691426 11.857542 9.724670 C 7.709249 12.186232 7.820819 H 6.841079 11.581105 8.083014 C 7.762958 12.808847 6.562727 C 8.895922 13.578895 6.249258 H 8.961013 14.064248 5.274980 C 9.941653 13.732079 7.157344 H 10.821031 14.326878 6.910672 C 6.628530 12.675090 5.585394 H 6.027633 11.780046 5.784481 H 6.992337 12.628859 4.551268 H 5.956903 13.544278 5.653886 C 15.675301 14.839315 10.981634 H 15.525213 15.121147 9.940512 N 16.122593 15.766976 11.820354 C 16.284436 15.400893 13.105150 H 16.662037 16.165714 13.785636 C 15.982062 14.121101 13.564067 H 16.097940 13.842999 14.608855 C 15.508927 13.205157 12.623611 C 15.095754 11.842725 12.811747 C 14.608356 9.765841 13.347662 C 14.426605 8.513510 14.068248 C 14.192998 8.456785 15.455434 H 14.132656 9.367667 16.045636 C 14.012484 7.224428 16.079048 H 13.824216 7.187688 17.151240 C 14.064414 6.042034 15.335964 H 13.927247 5.081328 15.831138 C 14.288045 6.092734 13.956215 H 14.327652 5.172560 13.374668 C 14.465067 7.317946 13.322253 H 14.640459 7.366578 12.248953 C 15.498462 11.275858 15.206672 C 14.674924 12.041701 16.032382 H 13.706861 12.387108 15.669505 C 15.105393 12.344803 17.324077 H 14.465033 12.941811 17.973727 C 16.343141 11.887690 17.805085 C 17.148048 11.119778 16.945719 H 18.114459 10.757480 17.297236 C 16.736913 10.811764 15.650786 H 17.363889 10.211411 14.992464 C 16.789620 12.189977 19.208167 H 16.205575 13.004679 19.651271 H 17.851846 12.464750 19.239253 H 16.667230 11.304948 19.850324 C 17.274404 10.734249 10.178760 H 16.881459 10.285219 11.090297 N 18.500766 10.391201 9.801516 C 18.969649 10.940832 8.666119 H 19.980586 10.658333 8.368564 C 18.215371 11.825650 7.898741 H 18.601354 12.263773 6.981218 C 16.934916 12.135396 8.358172 C 15.960436 13.017374 7.779876 C 14.627073 14.384280 6.688915 C 14.038953 15.291673 5.713035 C 14.386946 15.283030 4.350006 H 15.134632 14.588912 3.973741 C 13.754615 16.156337 3.467129 H 14.024697 16.142012 2.412018 C 12.776979 17.042336 3.927579 H 12.291830 17.726741 3.232424 C 12.423919 17.052295 5.281470 H 11.667911 17.747486 5.644752 C 13.046933 16.183608 6.171564 H 12.789308 16.193739 7.229978 C 16.891849 13.879382 5.626513 C 17.662500 15.040320 5.576514 H 17.481231 15.848733 6.284084 C 18.658716 15.148043 4.607257 H 19.264082 16.053659 4.564370 C 18.899879 14.112555 3.689195 C 18.110139 12.952784 3.772408 H 18.281535 12.135175 3.071774 C 17.105806 12.829556 4.731300 H 16.489262 11.932066 4.783040 C 19.957368 14.250900 2.630173 H 20.403151 13.281347 2.376711 H 20.756171 14.932349 2.945841 H 19.522736 14.661042 1.705898 Pyrazine Fe 8.256882 4.428250 7.454460 C 7.552182 5.008023 10.298459 H 6.803634 4.226886 10.186049 C 7.704806 5.710172 11.494023 H 7.059272 5.488729 12.345181 C 9.420860 6.923831 10.612612 H 10.177091 7.700674 10.730755 C 9.305148 6.229681 9.400201 C 10.076911 6.389873 8.198020 C 11.396760 6.829991 6.495033 C 12.427213 7.395324 5.633903 C 12.201200 7.374310 4.242677 H 11.269127 6.958812 3.862597 C 13.155995 7.890152 3.372164 H 12.969958 7.881194 2.298825 C 14.346803 8.426315 3.873282 H 15.091784 8.832990 3.190219 C 14.581506 8.438807 5.250773 H 15.513311 8.844762 5.642373 C 13.630744 7.928637 6.132204 H 13.835950 7.932461 7.199849 C 11.815255 8.120529 8.660502 C 12.689841 7.679321 9.653923 H 12.877888 6.613489 9.783699 C 13.327825 8.621031 10.461146 H 14.015224 8.281494 11.236029 C 13.109505 9.997270 10.286354 C 12.225596 10.406820 9.272847 H 12.045769 11.470685 9.116151 C 11.574576 9.480265 8.461403 H 10.896988 9.806138 7.673033 C 13.789001 11.009257 11.165429 H 14.627968 10.568587 11.715855 H 13.081971 11.416556 11.903592 H 14.164548 11.857519 10.578630 C 9.930697 2.575002 9.075650 H 9.543792 3.107925 9.940771 C 10.823508 1.511182 9.211523 H 11.153971 1.196596 10.202402 C 10.886450 1.222103 6.950977 H 11.266800 0.677174 6.086444 C 9.987316 2.282932 6.777985 C 9.399709 2.774871 5.562987 C 8.635162 3.331166 3.579751 C 8.393868 3.405991 2.144622 C 7.138022 3.878014 1.713622 H 6.390324 4.149831 2.456902 C 6.860350 3.987415 0.354786 H 5.884592 4.346224 0.029423 C 7.828300 3.633307 -0.590671 H 7.608224 3.716853 -1.654415 C 9.079521 3.175383 -0.169599 H 9.839491 2.910549 -0.903679 C 9.367312 3.059724 1.188754 H 10.351530 2.717693 1.499084 C 10.437376 1.520689 3.677694 C 9.926631 0.313332 3.201314 H 8.854618 0.122910 3.235859 C 10.805587 -0.628081 2.669883 H 10.410504 -1.570124 2.288867 C 12.189127 -0.386574 2.614674 C 12.670060 0.838664 3.104715 H 13.738850 1.049612 3.063300 C 11.804578 1.795928 3.633591 H 12.180017 2.752782 3.996384 C 13.127745 -1.422232 2.061661 H 12.700309 -1.920338 1.182197 H 13.325232 -2.203312 2.811303 H 14.091786 -0.983556 1.779259 C 7.046345 6.796391 6.143874 H 8.070629 7.138896 6.020562 C 5.963158 7.507680 5.626152 H 6.127221 8.448350 5.098759 C 4.507487 5.921396 6.375762 H 3.483884 5.556185 6.463720 C 5.570795 5.183259 6.912339 C 5.539732 3.904317 7.569124 C 5.224200 1.944414 8.517113 C 4.615732 0.738801 9.064180 C 3.316647 0.720059 9.606118 H 2.713424 1.624375 9.634033 C 2.802058 -0.461877 10.134311 H 1.799009 -0.468215 10.558907 C 3.567700 -1.630962 10.127862 H 3.157444 -2.552740 10.538892 C 4.861862 -1.616036 9.597815 H 5.460830 -2.525870 9.593258 C 5.387143 -0.440490 9.070873 H 6.392578 -0.419403 8.653656 C 3.147700 3.212851 7.742460 C 2.449694 4.132009 8.527252 H 2.968986 4.695653 9.302496 C 1.082647 4.304385 8.315220 H 0.533457 5.017681 8.930176 C 0.399506 3.566535 7.333956 C 1.131915 2.645734 6.565955 H 0.620672 2.056804 5.804083 C 2.500428 2.465880 6.758841 H 3.058931 1.744430 6.163520 C -1.070580 3.770589 7.097803 H -1.578044 4.129108 8.001244 H -1.556763 2.844311 6.768211 H -1.232690 4.521947 6.309973 N 8.342637 5.257648 9.236296 N 8.628273 6.670427 11.657191 N 9.705415 5.652542 7.147824 N 11.149631 7.154055 7.825610 N 10.511616 5.907916 6.089747 N 6.862164 5.638033 6.796852 N 4.697434 7.079663 5.738737 N 6.722351 3.368274 7.884274 N 4.559592 3.031074 7.955835 N 6.546904 2.160577 8.473013 N 9.510028 2.975649 7.865085 N 11.307725 0.836676 8.158333 N 8.463776 3.715954 5.693788 N 9.542131 2.501659 4.231470 N 7.979497 4.070561 4.485425 2Pyrimidine Fe 14.883436 12.302624 9.977124 N 13.908554 10.938789 8.946592 N 13.118292 13.006845 10.150813 N 12.637579 14.135416 10.710016 N 11.066043 13.212941 9.419670 N 15.556415 13.679790 11.201917 N 14.833731 11.298608 11.605018 N 14.497563 10.023517 11.912074 N 15.020118 11.126176 13.782865 N 16.682292 11.682478 9.461343 N 15.112145 13.322765 8.368677 N 14.280296 14.118071 7.656956 N 16.180518 13.826479 6.520047 C 14.376508 9.787949 8.434158 H 15.416569 9.546892 8.643859 C 13.567636 8.952382 7.670468 H 13.957259 8.022178 7.262808 C 12.250190 9.358382 7.445065 H 11.566511 8.765228 6.835623 N 11.754095 10.488367 7.968885 C 12.581645 11.225508 8.703872 C 12.189597 12.433433 9.383068 C 11.379073 14.269340 10.264817 C 10.498831 15.369883 10.633801 C 11.084134 16.608844 10.956431 H 12.166376 16.714375 10.899360 C 10.282131 17.682735 11.331512 H 10.738750 18.642295 11.571372 C 8.893244 17.532316 11.395561 H 8.266742 18.374301 11.688142 C 8.308231 16.300516 11.088086 H 7.227683 16.178199 11.150694 C 9.101532 15.221302 10.706686 H 8.636883 14.264063 10.479989 C 9.902290 13.090037 8.581008 C 9.019462 12.025783 8.749539 H 9.214004 11.266417 9.505194 C 7.890139 11.951869 7.936530 H 7.196696 11.120167 8.063608 C 7.626140 12.927801 6.961754 C 8.540052 13.983912 6.815223 H 8.356633 14.750539 6.061855 C 9.676011 14.071853 7.616411 H 10.376336 14.899623 7.508654 C 6.384631 12.858056 6.116233 H 6.066585 11.821130 5.952847 H 6.535112 13.334658 5.139903 H 5.551595 13.380736 6.610477 C 15.890430 14.947783 10.903087 H 15.834973 15.229737 9.853776 C 16.270560 15.847050 11.893548 H 16.539851 16.870290 11.640863 C 16.287965 15.388657 13.213376 H 16.584465 16.037058 14.039345 N 15.935093 14.136390 13.536169 C 15.578908 13.336766 12.535740 C 15.152406 11.971264 12.715096 C 14.604224 9.913973 13.246284 C 14.315917 8.692611 13.988099 C 13.807815 8.712734 15.300345 H 13.620023 9.657515 15.805565 C 13.523130 7.514870 15.951482 H 13.122821 7.535975 16.964265 C 13.743461 6.292450 15.310441 H 13.524814 5.359126 15.828208 C 14.239743 6.267456 14.003397 H 14.409711 5.315586 13.501692 C 14.520974 7.458874 13.341221 H 14.905654 7.450330 12.322491 C 15.323064 11.424835 15.158684 C 14.535127 12.343484 15.852132 H 13.710870 12.847231 15.348707 C 14.816851 12.598138 17.190908 H 14.201715 13.313624 17.737557 C 15.873115 11.946099 17.851453 C 16.647423 11.031277 17.122496 H 17.472727 10.515977 17.614004 C 16.381672 10.766469 15.779413 H 16.981363 10.045573 15.224811 C 16.157260 12.225553 19.301278 H 16.360412 13.293334 19.464342 H 17.021340 11.655336 19.660464 H 15.292702 11.965057 19.928289 C 17.479821 10.809784 10.111064 H 17.075854 10.370096 11.021319 C 18.741929 10.479159 9.629516 C 19.164444 11.085236 8.442403 H 20.141266 10.870318 8.006516 N 18.394435 11.960422 7.780393 C 17.199693 12.227344 8.300214 C 16.254923 13.135112 7.700646 C 14.928939 14.428396 6.524369 C 14.359443 15.259955 5.471969 C 15.146642 16.097275 4.660561 H 16.225251 16.141926 4.796452 C 14.540055 16.888211 3.687543 H 15.152524 17.540971 3.066987 C 13.154135 16.849634 3.509406 H 12.687203 17.466100 2.741996 C 12.367645 16.020917 4.316028 H 11.288125 15.986406 4.174107 C 12.962533 15.231865 5.295735 H 12.360568 14.576049 5.923437 C 17.144279 13.820613 5.449673 C 18.380811 14.438008 5.626794 H 18.629568 14.903908 6.579384 C 19.283760 14.457473 4.565924 H 20.249990 14.945086 4.697144 C 18.968841 13.870367 3.329604 C 17.713733 13.256197 3.186060 H 17.446622 12.797570 2.233715 C 16.800078 13.224743 4.236818 H 15.823944 12.756811 4.114156 C 19.956037 13.877560 2.195890 H 20.552161 12.952246 2.198151 H 20.656103 14.717936 2.274837 H 19.450931 13.934987 1.223765 H 19.371599 9.771338 10.164474 Ru3 Pyridine Ru 14.840916 12.392163 9.713872 N 13.752648 11.071821 8.545033 N 12.998595 13.112994 9.932255 N 12.486453 14.134197 10.644231 N 10.853376 13.104180 9.516010 N 15.731342 13.724125 11.039246 N 14.694133 11.384787 11.448275 N 14.134306 10.206364 11.800061 N 14.879109 11.260797 13.624801 N 16.759913 11.711689 9.201580 N 15.231963 13.427996 8.010618 N 14.473511 14.229676 7.227685 N 16.469758 13.922326 6.276060 C 14.257517 10.030492 7.858225 H 15.324017 9.851314 7.976729 C 13.469569 9.219575 7.046206 H 13.927077 8.385472 6.517461 C 12.105968 9.495318 6.925771 H 11.469084 8.880880 6.291290 C 11.565743 10.567256 7.632138 H 10.507528 10.809173 7.569050 C 12.404728 11.339275 8.439908 C 12.027821 12.475378 9.244702 C 11.168585 14.149201 10.393628 C 10.251839 15.123649 10.953791 C 10.794643 16.356916 11.383453 H 11.860699 16.538894 11.260270 C 9.968934 17.327304 11.934872 H 10.388097 18.281881 12.249908 C 8.596621 17.082685 12.078802 H 7.950458 17.845664 12.511689 C 8.054524 15.858192 11.670913 H 6.990622 15.663991 11.798834 C 8.869004 14.881655 11.108303 H 8.435001 13.929859 10.814631 C 9.566358 12.777131 8.952611 C 8.869955 11.666289 9.432883 H 9.294592 11.053793 10.228420 C 7.621948 11.367314 8.888259 H 7.070848 10.503272 9.259960 C 7.055871 12.165314 7.877734 C 7.788573 13.273655 7.417597 H 7.369378 13.902522 6.631967 C 9.039283 13.587098 7.946662 H 9.597048 14.453681 7.593450 C 5.693172 11.859320 7.326219 H 5.453216 10.792640 7.407633 H 5.605303 12.160929 6.275533 H 4.922894 12.410659 7.887108 C 16.255630 14.918628 10.710704 H 16.180996 15.201103 9.662998 C 16.843212 15.759434 11.652610 H 17.246318 16.719338 11.335406 C 16.900343 15.353716 12.986643 H 17.360971 15.988940 13.741653 C 16.352739 14.123544 13.345548 H 16.369675 13.777684 14.376062 C 15.768166 13.328356 12.357146 C 15.149773 12.034833 12.538952 C 14.247487 10.111040 13.133433 C 13.794243 8.967892 13.904365 C 13.484714 9.039499 15.280119 H 13.564760 9.978769 15.820183 C 13.043044 7.903567 15.950223 H 12.796118 7.965371 17.009076 C 12.909556 6.687815 15.270214 H 12.570996 5.800519 15.804148 C 13.206576 6.611083 13.903126 H 13.103342 5.664078 13.375229 C 13.639544 7.740088 13.220470 H 13.876580 7.688725 12.159282 C 15.222687 11.578195 14.990235 C 14.449845 12.506609 15.689706 H 13.591090 12.978409 15.211883 C 14.789355 12.808350 17.008070 H 14.188185 13.530395 17.560939 C 15.884416 12.192899 17.640008 C 16.640884 11.264822 16.902288 H 17.496300 10.777490 17.370585 C 16.319465 10.951908 15.582838 H 16.906369 10.223545 15.024053 C 16.222842 12.496077 19.071222 H 15.823465 13.467155 19.385543 H 17.307037 12.490407 19.237850 H 15.790817 11.731923 19.735311 C 17.472659 10.802674 9.898066 H 16.981055 10.379351 10.771464 C 18.749185 10.402477 9.516502 H 19.276860 9.656965 10.108337 C 19.323030 10.962165 8.372772 H 20.319151 10.664356 8.048808 C 18.605411 11.909856 7.646766 H 19.021769 12.368947 6.753521 C 17.327354 12.275150 8.079651 C 16.433326 13.219253 7.447684 C 15.227621 14.546107 6.164006 C 14.782529 15.400421 5.075347 C 15.672487 16.178169 4.306602 H 16.739452 16.169117 4.514614 C 15.181264 16.988589 3.287593 H 15.870693 17.595193 2.702188 C 13.809057 17.032424 3.019690 H 13.431951 17.664880 2.216791 C 12.919527 16.268733 3.785078 H 11.851622 16.303710 3.573849 C 13.397782 15.461167 4.810092 H 12.715682 14.859300 5.408261 C 17.558909 13.943590 5.331885 C 18.707068 14.682800 5.626192 H 18.776732 15.241515 6.559822 C 19.745366 14.716049 4.697352 H 20.638318 15.302135 4.915715 C 19.653737 14.025327 3.474826 C 18.482323 13.293896 3.211933 H 18.386716 12.757994 2.267498 C 17.434682 13.246306 4.130021 H 16.524737 12.688699 3.910817 C 20.782431 14.059290 2.485400 H 20.423347 13.920709 1.458859 H 21.498612 13.249193 2.692601 H 21.336743 15.003842 2.539714 Pyridazine Ru 8.284304 4.504328 7.301151 N 7.425815 5.170915 10.067026 C 7.500659 5.810336 11.238772 H 6.736011 5.528214 11.961820 C 9.398241 7.085183 10.547076 C 9.307806 6.391387 9.333253 C 10.124848 6.547413 8.157398 C 11.565459 6.970633 6.547935 C 12.645570 7.533506 5.756522 C 12.516902 7.487196 4.350513 H 11.617889 7.055842 3.913384 C 13.518150 8.010544 3.541520 H 13.407234 7.988167 2.458213 C 14.662405 8.576336 4.117149 H 15.445064 8.988587 3.481175 C 14.802371 8.612965 5.508573 H 15.698559 9.041457 5.955035 C 13.802795 8.100303 6.329830 H 13.934590 8.124341 7.408304 C 11.856551 8.241431 8.749512 C 12.701241 7.782986 9.761151 H 12.900216 6.716702 9.869893 C 13.295592 8.711514 10.616442 H 13.959250 8.360510 11.406818 C 13.064043 10.089979 10.471042 C 12.205002 10.514399 9.440937 H 12.010144 11.579188 9.310561 C 11.598564 9.602368 8.579529 H 10.942061 9.940481 7.778421 C 13.728380 11.089249 11.374125 H 14.187479 10.608532 12.245076 H 13.013825 11.843996 11.727924 H 14.520001 11.629253 10.833555 N 10.202767 2.933730 8.904008 C 11.115307 1.976762 9.102133 H 11.468326 1.890413 10.129396 C 11.109895 1.337796 6.799857 C 10.153335 2.344493 6.616930 C 9.484802 2.733204 5.403134 C 8.566620 3.037080 3.425515 C 8.246146 2.953630 2.013775 C 6.965726 3.394947 1.606729 H 6.267180 3.759403 2.357649 C 6.606609 3.350769 0.266550 H 5.615638 3.681082 -0.041575 C 7.516647 2.879500 -0.689185 H 7.233340 2.846923 -1.740704 C 8.792229 2.457255 -0.296526 H 9.504101 2.108407 -1.043182 C 9.161331 2.489229 1.043623 H 10.162938 2.178674 1.328069 C 10.458643 1.318593 3.603997 C 9.981821 0.046685 3.290279 H 8.926747 -0.192942 3.418592 C 10.876447 -0.904146 2.798267 H 10.509967 -1.899541 2.547511 C 12.236656 -0.604296 2.615419 C 12.683009 0.689623 2.947493 H 13.733069 0.947372 2.806240 C 11.805945 1.653274 3.438724 H 12.152966 2.659759 3.673769 C 13.194573 -1.626712 2.075449 H 12.694614 -2.575736 1.854043 H 14.003628 -1.823857 2.793104 H 13.670884 -1.266298 1.152729 N 6.990446 7.008450 6.384121 C 5.950552 7.786755 6.064617 C 4.364606 6.111251 6.683134 H 3.354323 5.732651 6.821583 C 5.469371 5.316966 7.014798 C 5.480576 3.973040 7.535699 C 5.181514 1.900202 8.215035 C 4.580413 0.655513 8.652483 C 3.301757 0.590279 9.249068 H 2.716914 1.492015 9.409884 C 2.795656 -0.634788 9.668384 H 1.814622 -0.680196 10.138934 C 3.545495 -1.804781 9.498981 H 3.140461 -2.761705 9.826464 C 4.819153 -1.746342 8.917066 H 5.401311 -2.657810 8.789034 C 5.339092 -0.528138 8.501658 H 6.327603 -0.471129 8.049449 C 3.092147 3.317372 7.799708 C 2.501640 4.136634 8.764983 H 3.107779 4.569545 9.560979 C 1.128598 4.368067 8.704220 H 0.659979 5.000759 9.458286 C 0.334636 3.790055 7.696618 C 0.965198 2.973928 6.740110 H 0.369319 2.520764 5.947672 C 2.336654 2.731020 6.783346 H 2.814827 2.090881 6.042707 C -1.149155 4.013814 7.660571 H -1.425830 4.970777 8.118520 H -1.666711 3.221797 8.223709 H -1.537030 3.987066 6.635253 N 8.334007 5.442124 9.142795 C 8.475606 6.774215 11.531025 N 9.814326 5.825537 7.070486 N 11.232714 7.288376 7.863126 N 10.694630 6.057408 6.080649 N 6.748186 5.785392 6.827319 C 4.615357 7.378132 6.182839 N 6.674048 3.366302 7.695728 N 4.511422 3.075241 7.858479 N 6.505407 2.093071 8.095062 N 9.713724 3.093289 7.683758 C 11.593795 1.142030 8.082268 N 8.513305 3.665173 5.487602 N 9.548568 2.315403 4.110350 N 7.934126 3.850719 4.288805 H 3.804347 8.045993 5.897525 H 8.492205 7.268238 12.501033 H 10.171686 7.836376 10.692422 H 12.332105 0.371863 8.298707 H 11.449066 0.742667 5.954821 H 6.219424 8.777223 5.698672 4Pyrimidine Ru 1.254100 2.505486 11.280210 N 2.639207 1.511540 10.243322 N -0.118002 1.013257 11.120603 N 0.582055 3.624081 9.669797 N -2.063791 0.101378 11.545393 N 2.358693 4.176307 11.455609 N -0.080962 -0.217454 10.569665 N 4.191776 -0.019865 10.061496 N 2.969122 1.480209 8.940800 N -0.681235 3.930267 7.678196 N 3.323459 4.570483 12.311503 N 2.200275 1.438074 12.779015 N 2.882366 6.221764 10.869315 N -0.348344 3.234889 12.418460 C 3.915732 0.535254 8.807222 C 2.920631 7.471842 10.152956 C -1.302254 1.221731 11.723242 C 1.128328 4.879996 9.526937 C 3.370306 0.614636 10.940217 N -1.418727 4.864713 13.786832 C 2.083087 5.161432 10.572197 C 1.849903 8.359593 10.275806 H 1.003423 8.117654 10.918989 C -0.390283 4.409541 13.086520 H 0.515686 5.014839 13.054551 C 3.650638 5.829318 11.971467 C -3.543485 -0.939861 13.194898 H -2.680068 -1.433338 13.640010 C -0.292298 3.216636 8.726536 H -0.692632 2.209709 8.843161 C -3.385035 -0.106041 12.086691 C 3.056039 11.223563 8.058296 H 3.811843 11.878813 8.517036 H 2.094854 11.747882 8.089761 H 3.349258 11.090323 7.008349 C 8.104803 -4.010741 11.368885 H 7.679324 -4.833613 11.954367 H 8.953322 -3.587135 11.920799 H 8.510532 -4.441165 10.440268 C 0.769211 5.683893 8.445149 C 4.523803 0.174236 7.542606 C 5.172604 -1.019134 10.400386 C 4.028994 7.772169 9.357467 H 4.856526 7.067922 9.278249 C 3.915684 -0.162594 13.308567 C -4.475935 0.533482 11.494348 H -4.334816 1.166818 10.618137 C 7.078625 -2.963338 11.050927 C 3.196077 0.577128 12.369709 C 4.746681 -2.293161 10.781701 H 3.683284 -2.530896 10.807685 C 4.639343 6.624274 12.671675 C 5.115082 -1.088097 7.309352 H 5.126891 -1.847599 8.086490 C -0.154123 5.158383 7.539856 H -0.481171 5.735145 6.673121 C 4.056292 8.985596 8.675905 H 4.917422 9.225219 8.051679 C -2.595682 2.859152 13.191040 C -1.477983 2.444845 12.464196 C 2.997436 9.908369 8.777884 C -2.518017 4.091096 13.839621 H -3.357377 4.474521 14.421875 N 2.598102 0.839416 15.047297 C -5.747331 0.329736 12.029220 H -6.604532 0.820848 11.568410 C 5.703168 -3.254111 11.105699 H 5.379228 -4.253041 11.398161 C 6.529301 -0.693601 10.338355 H 6.841363 0.305349 10.035658 C 3.575244 0.005770 14.650672 H 4.098450 -0.541502 15.436478 C 5.657113 -1.377528 6.062774 H 6.101482 -2.355041 5.881520 C -1.646052 -2.116421 10.369690 C -0.604406 -3.028548 10.090360 H 0.427777 -2.714699 10.235081 C 4.476925 1.125762 6.497003 H 4.013267 2.093283 6.680078 C -1.276927 -0.785458 10.816306 C 7.469301 -1.667191 10.665701 H 8.529812 -1.418346 10.622994 C 1.897032 9.570256 9.586099 H 1.070156 10.273331 9.686525 C 5.029464 0.827377 5.259393 H 5.003063 1.566200 4.459750 C 4.624862 8.037469 12.672807 H 3.852665 8.585765 12.139944 C -3.270299 -3.796705 9.723359 H -4.305461 -4.095001 9.564199 C 5.623713 -0.423073 5.038662 H 6.054893 -0.655623 4.065482 C -4.821730 -1.131027 13.714299 H -4.951950 -1.778191 14.581862 C -2.986378 -2.512049 10.174987 H -3.802548 -1.816708 10.352020 C 1.958070 1.516776 14.104470 H 1.170254 2.204243 14.412332 C -5.945734 -0.505775 13.143614 C 6.569030 8.048981 14.113920 H 7.320555 8.604781 14.673709 C -2.233778 -4.699924 9.464195 H -2.464220 -5.705698 9.114593 C 5.625523 5.936096 13.416307 H 5.627911 4.847612 13.417652 C -0.900596 -4.310851 9.646749 H -0.095834 -5.015700 9.442602 C 6.584282 6.647134 14.124436 H 7.349713 6.115153 14.687516 C -7.320390 -0.746306 13.695373 H -8.020238 0.044872 13.403373 H -7.306692 -0.819660 14.789977 H -7.722153 -1.698429 13.315570 C 5.585296 8.737374 13.393454 H 5.563865 9.826058 13.404515 H 1.193653 6.676522 8.316699 H -3.489514 2.241977 13.242131 H 4.708565 -0.840092 13.001276 Pyrazine Ru 11.895413 11.390109 6.238405 N 12.767890 9.965420 5.154075 N 13.670569 11.946657 7.076002 N 11.833977 9.801613 7.552233 N 11.305811 12.880158 7.589442 N 13.736801 8.012690 4.972782 N 14.859279 13.060523 8.536140 N 11.912127 12.774023 4.702560 N 10.068245 11.121772 5.446831 N 13.277934 9.927723 3.910213 N 9.041929 10.285680 5.715552 N 8.493770 11.623093 4.007524 N 14.933418 11.482094 6.959429 C 13.030258 8.813262 5.810948 N 11.886888 7.490911 9.138011 C 12.477117 8.659341 7.130894 N 11.757720 14.451810 2.465548 C 9.753628 11.934878 4.413478 C 13.603980 12.892681 8.024264 N 10.783928 14.982229 9.370862 C 12.316814 13.473392 8.310832 C 10.769337 12.842291 3.939712 C 14.205118 6.685527 5.281461 C 12.486225 7.517123 7.946155 H 12.991327 6.608726 7.617215 C 13.886144 8.737328 3.782494 C 15.677456 12.168476 7.846668 C 8.064330 10.584766 4.845547 C 15.218703 14.022405 9.551745 C 7.789629 12.230064 2.905898 C 11.235677 9.767535 8.754530 H 10.722257 10.669614 9.080369 C 10.055513 13.342669 7.781080 H 9.257037 12.858951 7.222262 C 7.581595 11.494520 1.738174 H 7.943746 10.469940 1.660665 C 6.776484 9.921131 4.812093 C 13.604118 5.584799 4.666016 H 12.790951 5.727574 3.955146 C 17.111371 11.993510 8.004255 C 6.902643 12.094146 0.679186 H 6.742112 11.527719 -0.238101 C 15.254307 6.531506 6.190430 H 15.721404 7.406538 6.642679 C 10.721715 13.689314 2.822552 H 9.823339 13.743536 2.207419 C 11.266976 8.610440 9.536456 H 10.773404 8.590691 10.509330 C 12.949387 13.545601 4.339191 H 13.854989 13.470735 4.937006 C 12.860344 14.381106 3.222655 H 13.708604 15.002437 2.931480 C 9.805454 14.383083 8.677106 H 8.786981 14.740711 8.836128 C 15.833379 15.217060 9.174412 H 16.056427 15.414604 8.126303 C 16.171462 16.139468 10.162282 H 16.657953 17.071769 9.874579 C 6.424052 13.413548 0.767896 C 14.578998 8.308858 2.584923 C 15.281732 14.676898 11.862995 H 15.072060 14.459163 12.910215 C 12.025983 14.531229 9.188765 H 12.825974 15.014898 9.749823 C 14.231239 8.938731 1.366000 H 13.450559 9.697178 1.364278 C 4.334319 8.553913 4.842014 H 3.383641 8.021725 4.850871 C 6.652260 14.125232 1.962266 H 6.285761 15.147730 2.055549 C 7.329225 13.544239 3.030983 H 7.483907 14.096982 3.957903 C 15.902077 15.890633 11.520770 C 6.695639 8.616866 5.354163 H 7.594788 8.148984 5.750954 C 5.483903 7.940484 5.360483 H 5.426815 6.931294 5.765746 C 14.939155 13.738684 10.889043 H 14.475746 12.791704 11.166631 C 15.704539 5.245758 6.484565 H 16.530954 5.116519 7.183414 C 15.596600 7.327098 2.595792 H 15.907257 6.860465 3.526602 C 15.122578 4.112726 5.886335 C 5.611356 10.536985 4.300415 H 5.642941 11.552969 3.915760 C 5.670631 14.043677 -0.365395 H 5.824637 13.504140 -1.306380 H 5.963269 15.092003 -0.507127 H 4.590155 14.040661 -0.153375 C 17.797392 12.325819 9.190525 H 17.263705 12.725800 10.048460 C 17.827458 11.447452 6.916409 H 17.295554 11.198571 5.999510 C 4.402353 9.852063 4.320878 H 3.503371 10.333052 3.938389 C 16.262544 16.902270 12.570049 H 17.289473 17.266038 12.433409 H 16.171202 16.489542 13.580655 H 15.602018 17.779491 12.503021 C 14.067940 4.309015 4.974386 H 13.604651 3.444816 4.497999 C 16.232956 6.978406 1.410741 H 17.024212 6.230322 1.423268 C 19.876312 11.589716 8.191484 H 20.952964 11.439620 8.263702 C 14.868690 8.575480 0.188525 H 14.589207 9.051171 -0.750420 C 19.171047 12.118448 9.277222 H 19.695237 12.368696 10.198416 C 19.200320 11.253820 7.012242 H 19.751541 10.848247 6.164870 C 15.869006 7.592447 0.205586 H 16.369123 7.310123 -0.720318 C 15.599087 2.730204 6.219792 H 15.640407 2.094600 5.325916 H 14.904388 2.245560 6.923240 H 16.589502 2.742628 6.688264 2Pyrimidine Ru 1.138328 2.540645 11.340246 N 2.532060 1.562457 10.300848 N -0.225522 1.042394 11.168082 N 0.500715 3.625554 9.694777 N -2.156976 0.105121 11.614403 N 2.241040 4.216148 11.512961 N -0.183046 -0.184162 10.602996 N 4.125417 0.073542 10.112638 N 2.868842 1.554488 8.996917 C -0.613651 4.011042 7.621863 N 3.192035 4.620532 12.384887 N 2.097443 1.487409 12.841860 N 2.859025 6.210344 10.842852 N -0.456403 3.256900 12.494356 C 3.836859 0.634893 8.863422 C 3.031689 7.406810 10.063550 C -1.404131 1.234016 11.783907 C 1.088614 4.859146 9.519303 C 3.276681 0.676833 10.990021 C -1.647929 4.767692 13.911970 C 2.024960 5.164627 10.580651 C 1.965408 8.294044 9.909687 H 0.999135 8.078488 10.363641 C -0.516574 4.414748 13.186463 H 0.372933 5.042162 13.159127 C 3.571607 5.845871 11.991179 C -3.577701 -1.207591 13.105856 H -2.702762 -1.781062 13.409967 C -0.343752 3.214160 8.728423 H -0.783053 2.226669 8.856133 C -3.453431 -0.169147 12.178888 C 3.624440 11.035093 7.840638 H 4.158641 11.768205 8.465609 H 2.676759 11.492030 7.534398 H 4.243248 10.869910 6.949222 C 8.233828 -3.775126 11.197089 H 7.911047 -4.538929 11.913636 H 9.151769 -3.303331 11.569982 H 8.499624 -4.292437 10.261444 N 0.874513 5.673309 8.492482 C 4.453516 0.281975 7.598688 C 5.152271 -0.885907 10.414800 C 4.283451 7.667605 9.496827 H 5.102947 6.961467 9.624708 N 3.849101 -0.118985 13.219230 C -4.558866 0.577831 11.772063 H -4.444362 1.380348 11.044516 C 7.159878 -2.760792 10.942626 C 3.098326 0.634097 12.422978 C 4.803898 -2.125206 10.953777 H 3.760455 -2.361280 11.156702 C 4.554496 6.656148 12.686853 C 4.936824 -1.018541 7.333162 H 4.853111 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-0.006993 -0.012164 N -0.226826 -0.243565 -2.063941 N 0.025539 -2.018425 -0.229881 N 0.151274 -3.037974 0.658138 N -0.096746 -3.864622 -1.398110 N 0.477944 -0.088734 2.013520 N 2.058760 0.005498 -0.006771 N 2.994423 0.078994 -0.993682 N 4.012187 -0.092729 0.982932 N -0.212657 2.062460 0.012107 N -1.984252 0.214033 0.220138 N -3.013644 -0.671217 0.329340 N -3.807674 1.408013 0.473165 C -0.355028 0.763604 -2.956483 H -0.293583 1.769007 -2.546579 C -0.550895 0.546258 -4.313804 H -0.645503 1.399869 -4.982150 C -0.626813 -0.764707 -4.792774 H -0.787452 -0.963402 -5.850966 C -0.491768 -1.817824 -3.893708 H -0.542222 -2.851520 -4.226556 C -0.285812 -1.542419 -2.539289 C -0.121197 -2.495544 -1.474005 C 0.070438 -4.167565 -0.052329 C 0.128077 -5.500980 0.536897 C -0.316444 -5.650665 1.864904 H -0.703050 -4.781254 2.394193 C -0.269841 -6.897665 2.481219 H -0.624076 -7.008002 3.505536 C 0.222135 -8.007044 1.786300 H 0.254759 -8.983042 2.269449 C 0.674174 -7.862330 0.472024 H 1.069539 -8.722164 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-6.352907 1.082726 1.765650 C -7.752932 -0.501925 1.393520 H -8.557459 -0.004167 1.933430 C -7.968780 -1.754396 0.813165 H -8.945752 -2.230194 0.891228 C -6.928149 -2.397909 0.135828 H -7.093718 -3.375048 -0.316499 C -5.680258 -1.791169 0.032662 H -4.863495 -2.282212 -0.493663 C -4.700435 2.532795 0.555900 C -4.766522 3.272251 1.738381 H -4.150641 2.990555 2.592408 C -5.630885 4.363333 1.808647 H -5.685148 4.943435 2.730283 C -6.439031 4.723549 0.716433 C -6.346697 3.959958 -0.458403 H -6.961515 4.224708 -1.318916 C -5.483029 2.868811 -0.547669 H -5.419986 2.277541 -1.460412 C -7.396281 5.878512 0.814929 H -7.612315 6.308241 -0.170420 H -7.005374 6.671418 1.464454 H -8.353674 5.547974 1.245605 Pyridazine Os -0.004395 0.022188 -0.042345 N 0.836863 2.866272 0.104706 C 0.647720 4.186051 0.043953 H 1.549213 4.778318 0.200182 C -1.689983 3.953735 -0.361208 C -1.475174 2.573591 -0.305495 C -2.444827 1.517522 -0.420701 C -4.154045 0.135839 -0.534234 C -5.499670 -0.417142 -0.626980 C -5.739119 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1.049765 1.855695 C 7.878266 0.564576 0.427683 H 8.672758 0.993299 1.037235 C 8.175828 0.002086 -0.816077 H 9.204841 -0.017524 -1.173454 C 7.149904 -0.529542 -1.603921 H 7.378190 -0.964694 -2.576238 C 5.835407 -0.506411 -1.148923 H 5.029182 -0.915169 -1.755711 C 4.391461 0.083257 3.060150 C 4.470595 1.252413 3.818493 H 3.985368 2.162751 3.466665 C 5.184594 1.236536 5.016223 H 5.250345 2.147882 5.611157 C 5.828823 0.071356 5.464699 C 5.726435 -1.088853 4.678995 H 6.214873 -2.005338 5.011047 C 5.011885 -1.092428 3.482353 H 4.940107 -1.993760 2.874806 C 6.630542 0.070994 6.736455 H 6.292994 0.852427 7.427607 H 7.692962 0.260275 6.520286 H 6.571920 -0.897754 7.247854 N -0.209041 2.062243 -0.084671 C -0.595556 4.785805 -0.192588 N -2.013614 0.254832 -0.290354 N -3.805149 1.481111 -0.577431 N -3.054836 -0.608489 -0.366485 N -0.019540 0.032885 2.015416 C 0.078225 -0.074903 4.763438 N 1.976708 0.025799 0.417256 N 3.651806 0.089023 1.827303 N 3.103977 0.018727 -0.332990 N 0.211214 -0.202939 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1.754375 C -0.134714 4.112863 0.532596 C -0.207924 5.501747 0.097916 C -0.746940 5.760363 -1.178217 H -1.102652 4.927339 -1.782307 C -0.829321 7.066637 -1.650071 H -1.255055 7.260092 -2.633967 C -0.372323 8.128248 -0.862481 H -0.439585 9.150610 -1.232983 C 0.174140 7.876807 0.398897 H 0.542859 8.700818 1.008422 C 0.257956 6.573179 0.882981 H 0.701401 6.393582 1.859219 C -0.226981 4.404361 3.062199 C 0.910356 4.564664 3.854983 H 1.859771 4.129561 3.542684 C 0.812126 5.292603 5.040182 H 1.697520 5.420498 5.663376 C -0.404203 5.870599 5.440898 C -1.529745 5.686783 4.620291 H -2.484851 6.121693 4.915799 C -1.451687 4.957027 3.435198 H -2.327285 4.819765 2.801861 C -0.493466 6.686672 6.700128 H 0.293266 6.414822 7.413710 H -1.467409 6.565440 7.190373 H -0.376066 7.757057 6.472592 C -0.765325 0.472433 -2.940635 H -1.776102 0.438789 -2.534948 N -0.615565 0.684176 -4.238565 C 0.645527 0.735348 -4.711016 H 0.757872 0.898482 -5.783703 C 1.757333 0.596865 -3.886266 H 2.769944 0.655874 -4.277454 C 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-1.734149 -3.927160 -0.579407 H -2.743907 -4.324222 -0.649067 C -1.516177 -2.566408 -0.349546 C -2.484121 -1.520968 -0.184649 C -4.187330 -0.134686 -0.026914 C -5.529483 0.430957 0.010151 C -6.649483 -0.292739 0.460824 H -6.544399 -1.317277 0.809205 C -7.903438 0.313487 0.485232 H -8.765252 -0.248770 0.842326 C -8.056600 1.636264 0.061067 H -9.041261 2.102301 0.076646 C -6.945714 2.362084 -0.380801 H -7.063864 3.392631 -0.713453 C -5.687677 1.768547 -0.404364 H -4.817134 2.323355 -0.750468 C -4.728616 -2.601425 -0.365641 C -5.352898 -2.787618 -1.598297 H -5.186747 -2.078613 -2.408575 C -6.194693 -3.885594 -1.769507 H -6.685444 -4.035237 -2.731431 C -6.420722 -4.802442 -0.729350 C -5.769661 -4.589481 0.497914 H -5.928504 -5.289318 1.318694 C -4.928680 -3.494266 0.688854 H -4.436388 -3.327013 1.646949 C -7.355702 -5.964516 -0.914909 H -7.073144 -6.814791 -0.282560 H -7.381603 -6.297921 -1.959322 H -8.381776 -5.678210 -0.638072 Pyrazine Os 0.041009 0.017795 0.012551 C -1.070050 2.889564 -0.011155 H -2.037623 2.392018 -0.008292 C -0.951322 4.275144 -0.023215 H -1.845383 4.900049 -0.038604 C 1.323074 4.128989 0.016185 H 2.292821 4.627261 0.022562 C 1.253095 2.728350 0.044862 C 2.337145 1.785177 0.090255 C 4.187032 0.588615 0.096809 C 5.584763 0.176262 0.087371 C 5.890497 -1.081063 -0.471644 H 5.086725 -1.687577 -0.886094 C 7.206029 -1.532682 -0.497829 H 7.436517 -2.501061 -0.940301 C 8.230143 -0.743883 0.036216 H 9.260171 -1.098059 0.012587 C 7.931420 0.497884 0.603146 H 8.725648 1.107842 1.031561 C 6.618230 0.962336 0.630908 H 6.402183 1.923738 1.090106 C 4.443196 3.126648 0.112547 C 4.529252 3.878918 1.284047 H 4.052647 3.524808 2.198140 C 5.240522 5.078758 1.267048 H 5.310619 5.670802 2.179610 C 5.872780 5.534001 0.098923 C 5.767298 4.749826 -1.063325 H 6.249104 5.085352 -1.982051 C 5.056582 3.551887 -1.066332 H 4.982797 2.947194 -1.969474 C 6.653229 6.818387 0.087363 H 6.528396 7.375572 1.022477 H 6.340832 7.464185 -0.744371 H 7.726447 6.619562 -0.047369 C -0.267825 0.758430 2.977366 H -0.434932 1.762744 2.595268 C -0.317577 0.472749 4.337614 H -0.519693 1.268978 5.055321 C 0.114821 -1.728298 3.938450 H 0.264616 -2.738265 4.320816 C 0.181018 -1.486471 2.559149 C 0.397677 -2.432607 1.501973 C 0.723139 -4.091101 0.090812 C 0.957938 -5.408762 -0.486057 C 0.457612 -5.656477 -1.779754 H -0.095561 -4.872011 -2.293496 C 0.664874 -6.891837 -2.385149 H 0.269108 -7.078617 -3.382750 C 1.375146 -7.892428 -1.714119 H 1.534651 -8.860063 -2.188651 C 1.884218 -7.648700 -0.435901 H 2.449121 -8.421671 0.083597 C 1.680198 -6.416054 0.180767 H 2.097644 -6.237583 1.168673 C 0.783414 -4.649510 2.578924 C -0.261917 -5.517811 2.886487 H -1.154843 -5.540835 2.262899 C -0.136622 -6.361464 3.990123 H -0.948605 -7.047549 4.231463 C 1.013525 -6.345338 4.794598 C 2.049354 -5.456134 4.456779 H 2.955420 -5.432120 5.062877 C 1.944560 -4.610916 3.354426 H 2.756262 -3.934580 3.086375 C 1.134712 -7.243135 5.994116 H 0.370282 -8.028206 5.988403 H 1.015797 -6.666236 6.923336 H 2.122664 -7.720076 6.036295 C 0.941577 -0.274322 -2.895243 H 1.936246 -0.176447 -2.466633 C 0.736500 -0.521934 -4.248471 H 1.588494 -0.603115 -4.924641 C -1.521969 -0.587305 -3.944545 H -2.519464 -0.725779 -4.362397 C -1.363742 -0.333442 -2.574552 C -2.376197 -0.274253 -1.557926 C -4.127775 -0.225400 -0.222681 C -5.489541 -0.248464 0.295547 C -6.598691 0.180228 -0.458057 H -6.471085 0.550655 -1.472202 C -7.872487 0.154477 0.105289 H -8.725639 0.494581 -0.480245 C -8.056589 -0.296625 1.415033 H -9.056033 -0.317925 1.848165 C -6.957192 -0.716037 2.170929 H -7.098538 -1.066195 3.192688 C -5.680051 -0.691297 1.619762 H -4.818231 -1.017067 2.199806 C -4.572794 -0.495389 -2.720578 C -4.771764 0.576053 -3.592283 H -4.315062 1.543448 -3.383049 C -5.570781 0.392652 -4.720055 H -5.732685 1.228330 -5.401098 C -6.179023 -0.845042 -4.987564 C -5.961755 -1.900940 -4.086003 H -6.430329 -2.867864 -4.270825 C -5.160784 -1.737590 -2.957529 H -5.002816 -2.558660 -2.259218 C -7.023516 -1.042422 -6.214921 H -7.410265 -0.090091 -6.595992 H -7.871828 -1.708940 -6.015268 H -6.430994 -1.503937 -7.019433 N 0.023123 2.091367 0.012218 N 0.237179 4.903559 -0.019897 N 2.027227 0.478348 0.057754 N 3.702529 1.891770 0.119237 N 3.160517 -0.271670 0.060874 N -0.099348 -0.165806 -2.042073 N -0.487359 -0.676527 -4.781641 N -1.966075 -0.161200 -0.284090 N -3.744966 -0.316268 -1.556514 N -3.038423 -0.124751 0.551390 N -0.018199 -0.208207 2.067155 N -0.128609 -0.764064 4.827932 N 0.311475 -1.979188 0.243242 N 0.664401 -3.774188 1.442907 N 0.506921 -2.988909 -0.638988 2Pyrimidine Os 0.002204 -0.042687 -0.047641 N 0.199990 -0.275880 -2.099843 N -0.219702 -2.041529 -0.286840 N -0.463717 -3.045251 0.588515 N -0.352467 -3.871696 -1.484316 N -0.010919 -0.189786 2.021200 N 1.978259 -0.253547 0.398434 N 3.107114 -0.246863 -0.357532 N 3.654552 -0.509712 1.792673 N 0.026101 2.037953 -0.049897 N -1.971873 0.428167 -0.229600 N -3.099827 -0.320573 -0.333220 N -3.647922 1.845793 -0.329443 C 0.434388 0.687973 -3.018176 H 0.529174 1.703050 -2.638039 C 0.547827 0.394926 -4.369787 H 0.736603 1.185681 -5.092617 C 0.407626 -0.940708 -4.760756 H 0.476544 -1.241373 -5.807140 N 0.182623 -1.916269 -3.872253 C 0.089344 -1.570660 -2.592488 C -0.142415 -2.519611 -1.537301 C -0.546972 -4.166698 -0.142714 C -0.808970 -5.483751 0.424461 C -1.581736 -5.556104 1.599070 H -1.978300 -4.638474 2.030767 C -1.842161 -6.790363 2.187579 H -2.449707 -6.842231 3.090316 C -1.330779 -7.960877 1.618592 H -1.537563 -8.926250 2.079422 C -0.552042 -7.892829 0.459744 H -0.142522 -8.802564 0.022550 C -0.290403 -6.663625 -0.140610 H 0.326114 -6.621625 -1.035707 C -0.453567 -4.773509 -2.602402 C 0.680561 -5.073650 -3.354444 H 1.635674 -4.608915 -3.113289 C 0.570062 -5.973048 -4.412433 H 1.453878 -6.210218 -5.005159 C -0.656228 -6.581156 -4.727483 C -1.780019 -6.250600 -3.953216 H -2.743742 -6.704381 -4.185593 C -1.688329 -5.350793 -2.893536 H -2.561834 -5.104186 -2.291273 C -0.759066 -7.578117 -5.848494 H -0.006567 -7.392022 -6.624405 H -1.752003 -7.558030 -6.314173 H -0.595765 -8.599626 -5.472613 C -1.100714 -0.222452 2.820693 H -2.063295 -0.110457 2.325618 C -0.986954 -0.403964 4.191537 H -1.873764 -0.427025 4.821143 C 0.297125 -0.555848 4.725711 H 0.459701 -0.686660 5.796512 N 1.389187 -0.559285 3.951578 C 1.211208 -0.389912 2.645359 C 2.292332 -0.409647 1.694533 C 4.132357 -0.407902 0.493635 C 5.528303 -0.457321 0.076208 C 6.503006 -1.187015 0.782329 H 6.236390 -1.741965 1.678741 C 7.816420 -1.217374 0.319727 H 8.564985 -1.789685 0.866080 C 8.173464 -0.523743 -0.839995 H 9.204177 -0.546165 -1.192297 C 7.206874 0.195062 -1.550335 H 7.482822 0.734001 -2.455901 C 5.890348 0.226765 -1.100488 H 5.130046 0.781603 -1.648083 C 4.423681 -0.599730 3.007521 C 4.387077 -1.771625 3.762879 H 3.760597 -2.605193 3.448152 C 5.163546 -1.855026 4.914897 H 5.139336 -2.769263 5.508689 C 5.979693 -0.785682 5.324094 C 5.987394 0.380109 4.543722 H 6.608924 1.223208 4.845652 C 5.214240 0.481707 3.387733 H 5.234611 1.386207 2.780871 C 6.828920 -0.899888 6.559668 H 6.244217 -1.273961 7.410779 H 7.266485 0.065190 6.839230 H 7.654249 -1.609556 6.400861 C 1.112339 2.846036 0.008250 H 2.077903 2.345394 0.059962 C 0.992224 4.228073 -0.010014 C -0.295642 4.771733 -0.091968 H -0.461828 5.849800 -0.107446 N -1.385806 3.998102 -0.158210 C -1.204118 2.680410 -0.137481 C -2.286018 1.735677 -0.224784 C -4.124451 0.544054 -0.394738 C -5.517643 0.132815 -0.515009 C -6.580744 0.895741 0.003898 H -6.389855 1.837462 0.513321 C -7.889147 0.434131 -0.117827 H -8.707301 1.025096 0.291749 C -8.153337 -0.780780 -0.756511 H -9.179869 -1.132439 -0.854313 C -7.099939 -1.545943 -1.266822 H -7.304137 -2.493234 -1.764395 C -5.788252 -1.097609 -1.144974 H -4.960597 -1.684738 -1.539626 C -4.406211 3.065820 -0.437961 C -4.528642 3.902328 0.670019 H -4.033382 3.647748 1.606305 C -5.300561 5.056497 0.562849 H -5.406186 5.710467 1.428858 C -5.954378 5.387276 -0.636091 C -5.808467 4.522758 -1.732518 H -6.310817 4.757164 -2.671246 C -5.037278 3.365241 -1.643601 H -4.939690 2.691887 -2.494384 C -6.770465 6.645236 -0.746443 H -6.132935 7.493958 -1.037510 H -7.240340 6.904709 0.210213 H -7.555739 6.550808 -1.506025 H 1.876288 4.860321 0.038298 Os3 pyridine Os 0.048242 0.032324 0.078144 N -0.299485 -0.186299 -1.964244 N 0.051520 -1.964020 -0.136568 N 0.263599 -2.977812 0.730471 N -0.108186 -3.795685 -1.318122 N 0.546536 0.046907 2.106794 N 2.073543 0.041840 0.022621 N 2.973775 -0.019724 -0.988186 N 4.036635 -0.109053 0.977209 N -0.226438 2.115485 0.221146 N -1.976012 0.220828 0.281569 N -2.989249 -0.675781 0.192116 N -3.823759 1.380519 0.448909 C -0.484678 0.825977 -2.837809 H -0.397914 1.830500 -2.429320 C -0.760811 0.609910 -4.182745 H -0.893240 1.463861 -4.844441 C -0.863438 -0.699912 -4.658912 H -1.084503 -0.894086 -5.707238 C -0.676432 -1.757963 -3.774329 H -0.743075 -2.791218 -4.106370 C -0.392386 -1.483014 -2.434182 C -0.172120 -2.439736 -1.381194 C 0.157398 -4.110235 0.020899 C 0.283723 -5.436836 0.594703 C 0.032631 -5.573091 1.979010 H -0.263278 -4.697112 2.553526 C 0.142269 -6.816336 2.588075 H -0.067507 -6.920081 3.651782 C 0.513492 -7.937116 1.834369 H 0.597879 -8.911771 2.313924 C 0.779208 -7.806994 0.466778 H 1.082922 -8.676472 -0.114428 C 0.664064 -6.569196 -0.157304 H 0.891491 -6.483372 -1.216491 C -0.323219 -4.702219 -2.419640 C 0.687072 -4.880186 -3.365473 H 1.630330 -4.341990 -3.270069 C 0.473602 -5.768481 -4.419695 H 1.260303 -5.916693 -5.159577 C -0.729253 -6.485211 -4.538258 C -1.725205 -6.277627 -3.566383 H -2.666364 -6.823246 -3.639114 C -1.532830 -5.392540 -2.508263 H -2.303706 -5.247464 -1.752172 C -0.944679 -7.461897 -5.658452 H -0.148297 -7.402239 -6.408325 H -1.907076 -7.288324 -6.158359 H -0.967981 -8.491871 -5.273072 C -0.339829 0.073304 3.123757 H -1.389890 0.071992 2.840498 C 0.055444 0.079990 4.456868 H -0.702243 0.093143 5.238056 C 1.416964 0.065452 4.767599 H 1.750770 0.075345 5.803960 C 2.347251 0.032490 3.731947 H 3.415803 0.012370 3.931386 C 1.893074 0.019637 2.411041 C 2.701717 -0.011480 1.217059 C 4.183958 -0.101933 -0.416371 C 5.427998 -0.149044 -1.162850 C 6.627687 -0.671065 -0.633528 H 6.662829 -1.076240 0.373818 C 7.777177 -0.695302 -1.416904 H 8.698165 -1.107325 -1.006974 C 7.753320 -0.199655 -2.724726 H 8.660044 -0.214686 -3.328564 C 6.564663 0.312990 -3.259405 H 6.547158 0.700531 -4.277116 C 5.408146 0.335008 -2.490843 H 4.481224 0.736190 -2.896875 C 5.064288 -0.176823 1.988875 C 5.289997 -1.384989 2.649053 H 4.703014 -2.267873 2.395639 C 6.286195 -1.443643 3.623856 H 6.471873 -2.385552 4.140138 C 7.061932 -0.316532 3.944140 C 6.802604 0.885012 3.259318 H 7.391685 1.772481 3.491973 C 5.810574 0.964756 2.284699 H 5.625864 1.896534 1.750956 C 8.150862 -0.389332 4.975643 H 8.141718 -1.345669 5.509805 H 8.056320 0.420955 5.711140 H 9.137751 -0.275566 4.503603 C 0.769669 3.029742 0.180955 H 1.772416 2.633836 0.035518 C 0.534971 4.394548 0.289717 H 1.373136 5.086908 0.238529 C -0.775922 4.851305 0.453073 H -0.986642 5.916455 0.535316 C -1.814062 3.925844 0.510537 H -2.845862 4.243852 0.640517 C -1.521827 2.563129 0.399508 C -2.460861 1.467927 0.422921 C -4.126696 0.026899 0.303375 C -5.453505 -0.564401 0.263042 C -6.563938 0.014000 0.910995 H -6.458090 0.936523 1.476252 C -7.804802 -0.612966 0.850746 H -8.658113 -0.168269 1.360766 C -7.957009 -1.811589 0.146434 H -8.932797 -2.293706 0.098617 C -6.856596 -2.394599 -0.492925 H -6.977471 -3.327684 -1.041578 C -5.610632 -1.781819 -0.433157 H -4.749119 -2.224912 -0.929934 C -4.738980 2.491405 0.536017 C -4.919625 3.135657 1.762893 H -4.381068 2.794108 2.647166 C -5.810737 4.203262 1.839678 H -5.960118 4.705847 2.795688 C -6.531631 4.635415 0.710177 C -6.322799 3.964921 -0.506436 H -6.869268 4.284727 -1.393655 C -5.432621 2.895569 -0.603452 H -5.285766 2.375117 -1.549284 C -7.511842 5.767769 0.815678 H -7.824932 6.127293 -0.170654 H -7.089477 6.611053 1.377737 H -8.414254 5.444991 1.356295 Pyridazine Os 0.067112 0.028178 0.035112 N 0.804276 2.891058 0.378521 C 0.576162 4.206057 0.418891 H 1.455380 4.813215 0.632451 C -1.753682 3.934733 -0.033835 C -1.491298 2.559793 -0.090301 C -2.420120 1.483180 -0.307547 C -4.048928 0.057349 -0.710759 C -5.352230 -0.530909 -0.964810 C -5.573794 -1.849591 -0.511668 H -4.780562 -2.368715 0.023821 C -6.802414 -2.462595 -0.727627 H -6.975592 -3.473818 -0.361855 C -7.819407 -1.778527 -1.404083 H -8.782439 -2.260120 -1.570157 C -7.601172 -0.477172 -1.868078 H -8.388375 0.049115 -2.406025 C -6.378701 0.151242 -1.649876 H -6.220125 1.157558 -2.029154 C -4.644762 2.544220 -0.685819 C -4.630123 3.340721 -1.832259 H -3.963039 3.100066 -2.660334 C -5.492006 4.434799 -1.903725 H -5.487831 5.059607 -2.797109 C -6.373704 4.739436 -0.851491 C -6.358092 3.915533 0.287739 H -7.031004 4.135255 1.116839 C -5.500528 2.820424 0.380351 H -5.501718 2.182173 1.263329 C -7.327267 5.895138 -0.952960 H -6.953632 6.670667 -1.631766 H -7.518755 6.347264 0.027681 H -8.297085 5.554901 -1.347155 N 0.253148 0.883232 -2.792047 C 0.392216 0.695126 -4.106424 H 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