408 Gaussian coordinates C 11.212269 -4.482993 -4.757545 C 10.434313 -4.040679 -3.514463 O 10.572320 -2.901103 -3.077025 H 10.961961 -5.518502 -4.993665 H 12.283683 -4.401924 -4.565147 H 10.944801 -3.841913 -5.600866 N 9.670680 -4.953984 -2.893584 O 8.217113 -6.973757 -1.510660 H 9.558293 -5.870927 -3.309299 H 9.862516 -4.277062 -0.970023 C 7.862383 -6.886266 1.309655 H 8.027742 -7.886298 0.904040 H 8.277742 -6.829737 2.317089 C 3.614939 -9.097244 1.385075 O 4.399184 -10.042120 1.259320 H 5.974075 -8.492199 0.725045 H 2.579199 -9.290393 1.635639 C 3.298070 -5.658734 7.411355 C 3.613420 -5.338095 5.948420 O 3.361382 -6.137787 5.043140 H 3.600012 -4.819738 8.040746 H 3.844544 -6.555083 7.712667 H 2.225943 -5.831401 7.523557 N 4.240871 -4.177267 5.749381 O 6.362630 -2.328921 5.548539 H 4.414019 -3.584808 6.552539 C 8.467228 -3.098156 3.803666 H 8.616933 -2.347449 4.582407 H 9.145743 -3.930726 3.999326 C 9.804583 0.176608 0.795703 O 10.616914 0.352404 1.702989 N 10.012129 0.547954 -0.472139 C 11.081938 1.420588 -0.962335 H 9.292929 0.315989 -1.142981 H 10.987436 1.538964 -2.043266 H 12.050408 0.975435 -0.726768 H 11.003736 2.397240 -0.481410 C 8.274630 3.684401 -6.189983 C 7.566877 2.333812 -5.963927 O 6.762076 1.954886 -6.818122 H 8.951844 3.884579 -5.358217 H 7.529451 4.479415 -6.253042 H 8.843560 3.645265 -7.120991 N 7.782679 1.635303 -4.834531 H 8.447730 1.977680 -4.153166 C -1.348542 -0.035267 -5.511094 O -1.599893 1.151684 -5.311590 N -1.990656 -0.781614 -6.418170 C -3.027128 -0.274480 -7.319281 H -1.735653 -1.755503 -6.515927 H -3.385108 -1.086828 -7.954576 H -2.610543 0.519048 -7.942197 H -3.857933 0.122078 -6.732291 C -6.715407 0.667778 -6.853803 C -7.431580 -0.599997 -6.396443 O -7.488838 -1.597541 -7.124418 H -6.778998 1.424087 -6.069289 H -7.187898 1.044712 -7.763183 H -5.666978 0.440328 -7.055534 N -7.935010 -0.596042 -5.166975 C -8.676083 -1.724853 -4.626974 C -9.552399 -1.238008 -3.474716 O -9.257966 -0.222968 -2.831573 C -7.708899 -2.820790 -4.135609 C -6.854121 -2.390067 -2.972978 N -5.741337 -1.588770 -3.041390 H -7.803725 0.211731 -4.571945 H -9.304137 -2.152841 -5.410261 H -7.053217 -3.098861 -4.962490 H -8.296324 -3.688344 -3.829587 H -5.325408 -1.216150 -3.889669 H -7.882494 -3.270192 -1.254384 N -10.554211 -2.053972 -3.148667 C -11.306809 -1.962083 -1.897808 C -10.986859 -3.185377 -1.034039 O -10.393324 -4.159447 -1.506618 H -10.742216 -2.868407 -3.748030 H -12.376152 -1.935261 -2.115120 H -11.021286 -1.053160 -1.364973 N -11.357602 -3.125786 0.247558 C -11.160786 -4.239113 1.168021 C -12.238524 -5.310367 0.971881 O -13.357413 -5.051446 0.508207 C -11.117809 -3.760798 2.629184 C -10.081612 -2.655353 2.898187 C -8.675207 -2.984760 2.373167 O -8.085116 -4.003046 2.784140 H -11.851340 -2.310860 0.584992 H -10.192266 -4.687501 0.940948 H -12.104565 -3.376561 2.893572 H -10.877345 -4.616770 3.263694 H -10.018265 -2.497447 3.976479 H -10.423316 -1.737792 2.415842 N -11.907907 -6.529572 1.400093 C -12.875528 -7.612533 1.446716 H -10.978932 -6.700954 1.763909 H -12.392880 -8.515021 1.826422 H -13.260035 -7.800517 0.442436 H -13.699613 -7.335735 2.105795 C -6.428436 1.377356 9.314947 C -4.990626 0.923192 9.052896 O -4.679864 -0.266412 9.140332 H -6.496522 2.459535 9.186564 H -6.714492 1.112561 10.333545 H -7.100531 0.884781 8.608547 N -4.127374 1.887695 8.735857 C -2.693244 1.719828 8.549881 C -1.980572 2.607891 9.573026 O -2.454024 3.705713 9.866045 O 0.046232 2.473588 7.169896 H -4.476702 2.835696 8.679243 H -2.381118 0.685700 8.709861 H -2.501428 3.159382 6.961849 N -0.821592 2.154774 10.057050 C 0.112223 2.934566 10.855453 H -0.505099 1.238989 9.763971 H 0.973621 2.315143 11.114973 H -0.382289 3.271230 11.768685 H 0.446809 3.800089 10.281665 C 6.363628 8.922012 3.715664 C 5.779016 7.912786 2.733266 O 6.450823 7.391181 1.838239 H 5.586735 9.244825 4.411803 H 6.742906 9.785565 3.167373 H 7.179645 8.457069 4.271978 N 4.487723 7.642605 2.925951 C 3.676495 6.781569 2.065339 C 2.578160 7.652674 1.462320 O 1.717106 8.152033 2.182793 C 3.122848 5.593770 2.879768 C 2.255260 4.639749 2.031951 H 4.031414 8.048733 3.733523 H 4.263598 6.343296 1.256182 H 3.963545 5.029012 3.289417 H 2.515036 5.984730 3.697764 H 1.520255 5.235120 1.485870 H 2.971768 3.466962 4.434027 N 2.612371 7.849056 0.142994 C 1.617338 8.647150 -0.564201 C 0.371649 7.801977 -0.791669 O 0.477309 6.678053 -1.286354 H 3.328766 7.395686 -0.409666 H 2.023223 8.967815 -1.526174 H 1.360711 9.524584 0.033033 N -0.795516 8.367551 -0.453357 C -2.094994 7.731337 -0.698056 C -2.938679 8.526987 -1.689623 O -2.810287 9.748892 -1.831927 C -2.901954 7.538467 0.588894 C -2.325865 6.649100 1.638049 C -1.305182 6.973835 2.461815 C -2.777463 5.322520 2.057212 N -1.080169 5.944216 3.346326 H -0.774643 9.304362 -0.037322 H -1.864987 6.751465 -1.121321 H -3.043341 8.524332 1.036576 H -3.872637 7.125112 0.306289 H -0.749846 7.901682 2.430582 H -0.355750 5.969455 4.055579 H -4.440998 4.716060 0.812081 N -3.813650 7.796832 -2.381245 C -4.905888 8.375892 -3.153077 H -3.815086 6.790115 -2.261494 H -5.479962 7.577023 -3.626355 H -4.498204 9.035326 -3.921409 H -5.556359 8.948112 -2.490386 C -11.116235 2.746646 -3.447136 C -9.881988 3.569386 -3.092362 O -9.967305 4.783403 -2.878415 H -10.827234 1.703569 -3.595556 H -11.561796 3.135413 -4.364681 H -11.841998 2.810041 -2.634327 N -8.735305 2.905497 -2.980121 C -7.496182 3.592499 -2.671931 C -6.320834 2.855911 -3.307243 O -6.333970 1.632173 -3.476922 C -7.300637 3.700646 -1.143629 C -7.367548 2.390380 -0.381392 N -8.487291 1.886017 0.234407 C -8.135934 0.765631 0.888348 H -8.713753 1.900237 -3.107507 H -7.544037 4.603045 -3.081870 H -8.078730 4.358028 -0.751037 H -6.321393 4.146457 -0.960945 H -9.417219 2.287942 0.190958 H -8.815630 0.164902 1.476834 N -5.277640 3.630123 -3.586183 C -3.992821 3.174856 -4.095799 H -5.355677 4.622476 -3.393637 H -3.330778 4.031725 -4.230055 H -4.138894 2.673507 -5.054299 H -3.546095 2.477336 -3.384841 C -0.543366 4.732179 -3.636905 C 0.822966 4.110197 -3.886222 O 0.951424 3.101290 -4.582299 H -0.432582 5.611528 -3.000483 H -1.189846 4.003766 -3.142445 H -0.987867 5.026173 -4.589762 N 1.849849 4.765356 -3.337040 C 3.245486 4.364005 -3.455377 C 4.058145 4.914757 -2.275539 O 3.715815 5.945529 -1.694652 H 1.655290 5.586082 -2.773549 H 3.641937 4.755368 -4.394913 N 5.172274 4.250451 -1.957624 C 6.101540 4.677085 -0.916437 C 7.140457 5.644916 -1.502384 O 7.697639 5.392602 -2.573678 C 6.739345 3.435985 -0.274415 H 5.574321 5.223261 -0.132417 H 7.478037 3.759326 0.460566 H 7.231822 2.849958 -1.052630 N 7.426865 6.730393 -0.768280 C 8.453449 7.722638 -1.114560 H 6.932369 6.868903 0.103559 H 8.478059 8.501604 -0.350308 H 8.215347 8.169595 -2.081769 H 9.427851 7.234486 -1.168797 Fe -6.202759 -1.733055 1.270330 C 9.071104 -4.695491 -1.585889 C 8.576644 -5.958439 -0.877713 C 7.914861 -3.656660 -1.656738 C 6.675246 -4.092510 -2.411766 C 5.692824 -4.867132 -1.774785 C 6.424148 -3.679921 -3.732688 C 4.500876 -5.187760 -2.421501 C 5.207687 -3.948383 -4.370922 C 4.247323 -4.706455 -3.706197 O 3.014006 -4.953618 -4.330313 H 7.648176 -3.406772 -0.621452 H 8.355901 -2.760371 -2.103460 H 5.845123 -5.189787 -0.748366 H 7.192946 -3.132962 -4.272017 H 3.748027 -5.780543 -1.913520 H 4.990214 -3.565393 -5.361450 H 2.662620 -5.816110 -4.050228 N 8.482772 -5.858295 0.476899 C 6.359911 -6.641188 1.486892 O 5.939624 -5.548092 1.970139 H 8.761447 -4.982310 0.931632 N 5.552230 -7.657166 1.140145 C 4.114267 -7.660197 1.430334 C 3.291260 -6.757038 0.498264 H 3.974892 -7.300754 2.464698 H 3.293538 -7.159863 -0.520215 H 3.714851 -5.747239 0.496751 H 2.254559 -6.699304 0.856714 C 4.714151 -3.721853 4.451473 C 6.132839 -3.175563 4.641485 C 3.807062 -2.593253 3.903276 C 2.373974 -2.983972 3.574883 C 2.024741 -4.146847 2.867711 C 1.332522 -2.114569 3.933065 C 0.697101 -4.412854 2.505996 C 0.009548 -2.370561 3.586069 C -0.320677 -3.515241 2.852380 O -1.649962 -3.650349 2.496828 H 4.725865 -4.586449 3.779574 H 3.787760 -1.799388 4.662921 H 4.287391 -2.155413 3.018640 H 2.793538 -4.870897 2.614174 H 1.563501 -1.207727 4.487943 H 0.454691 -5.326989 1.965408 H -0.773676 -1.668997 3.849240 H -1.904817 -4.457744 1.988107 N 7.085551 -3.616782 3.801265 C 8.689917 -2.529393 2.413097 O 8.979705 -3.275368 1.442716 H 6.832716 -4.311919 3.088048 N 8.399314 -1.221217 2.271550 C 8.457589 -0.537547 0.998830 H 8.251188 -0.663545 3.098165 H 8.306140 -1.272994 0.204176 H 7.633991 0.186400 0.947227 C 7.001691 0.443685 -4.557873 C 5.602161 0.878260 -4.112872 O 5.459652 1.457568 -2.979690 C 7.648617 -0.387562 -3.445928 O 7.913880 0.444449 -2.291851 H 6.931844 -0.155114 -5.474313 H 8.609605 -0.800312 -3.761037 H 6.974887 -1.207710 -3.174739 H 7.094903 0.939479 -2.087906 N 4.581446 0.645665 -4.933616 C 3.214019 1.017584 -4.623948 C 2.226182 -0.105716 -4.888858 O 2.588083 -1.295944 -5.055349 H 4.780689 0.273636 -5.854777 H 3.169906 1.240381 -3.552183 H 2.907877 1.920556 -5.160768 N 0.934046 0.288085 -4.848189 C -0.129541 -0.702043 -4.863235 C -0.392243 -1.228973 -3.426460 C -0.935071 -0.150310 -2.521534 C -0.097664 0.765139 -1.869171 C -2.319219 -0.000117 -2.403520 C -0.638128 1.807529 -1.105966 C -2.860579 1.039409 -1.648416 C -2.024839 1.946970 -0.991272 H 0.679888 1.282302 -4.778472 H 0.210176 -1.545676 -5.476215 H -1.098036 -2.068388 -3.473467 H 0.567252 -1.614105 -3.056087 H 0.981796 0.665063 -1.960985 H -2.958551 -0.700154 -2.939202 H 0.016505 2.508308 -0.600755 H -3.938559 1.159682 -1.611521 H -2.448541 2.743704 -0.386891 C -7.101393 -2.644049 -1.645703 C -5.356837 -1.351786 -1.734949 N -6.167493 -1.975910 -0.864500 H -4.503704 -0.774347 -1.449820 O -8.118096 -2.072450 1.611696 C -2.343820 2.093073 7.093631 C -0.910830 1.815434 6.694536 N -0.767976 0.820880 5.770528 H -3.039150 1.552597 6.442903 H 0.157433 0.552115 5.466506 H -1.566018 0.302192 5.408788 C 1.523594 3.554801 2.846200 C 2.406013 2.761738 3.812807 N 3.360624 1.840412 3.096375 H 2.897551 4.168902 1.268962 H 0.995096 2.864464 2.177154 H 0.747864 4.034437 3.460046 H 1.786828 2.149573 4.478822 H 2.849090 1.190835 2.466060 H 4.054570 2.370169 2.499564 H 3.961126 1.265809 3.722279 C -1.967231 4.920543 3.141774 C -3.793933 4.446290 1.637216 C -2.136356 3.705327 3.817309 C -3.985715 3.237319 2.300587 C -3.163847 2.873725 3.391269 H -1.491806 3.429526 4.648559 H -4.784366 2.567818 1.984476 H -3.330654 1.927037 3.902615 C -6.353609 1.496736 -0.061432 N -6.853938 0.454074 0.736701 H -5.310504 1.552223 -0.322281 H 3.321787 3.277682 -3.481929 C 5.667820 2.644631 0.467463 O 5.333161 3.003777 1.637161 N 5.078705 1.610471 -0.159573 H 5.435042 3.434292 -2.504575 H 4.349899 1.064819 0.297788 H 5.225674 1.437682 -1.150732 O -2.645197 -6.011020 1.314153 H -2.428570 -6.677566 1.976606 O -5.923660 -1.240753 3.306910 O -5.447605 -3.723504 1.577264 O 6.980668 -9.735665 -0.946054 H 7.597059 -10.449162 -0.755089 H 7.543119 -8.984090 -1.155692 O 5.682511 0.291803 4.179276 O -2.941043 -3.425933 -1.202213 O -5.430130 -5.585819 -4.710386 H -5.574280 -5.217503 -5.588451 H -5.427698 -6.535258 -4.852742 O -0.888575 -4.157935 -5.583526 O -3.148609 -0.679865 4.510749 O -5.215005 -5.440892 -1.205709 H -5.377547 -5.394609 -2.152606 H -5.810061 -6.130020 -0.899349 O -3.352872 -3.386694 -4.135546 H -4.083296 -3.918454 -4.465664 H -2.855787 -6.392847 0.450306 H -6.541288 -0.532848 3.561392 H -6.005860 -2.003332 3.909174 H -6.201590 -4.185666 2.022983 H -5.192520 -4.171590 0.751608 H 5.835894 -0.493949 4.748885 H 6.399273 0.935948 4.297405 H -3.101116 -3.306047 -2.171436 H -3.618306 -4.027668 -0.844906 H -0.787706 -4.554266 -6.463754 H -0.012533 -4.030336 -5.179020 H -4.056637 -0.475113 4.223220 H -2.910876 -1.556382 4.159800 H -2.522380 -3.630764 -4.608851 C -1.177813 0.420345 2.000376 N 0.461730 -0.576621 1.038591 C 1.780614 -0.848902 0.620895 C 0.815685 -4.013239 -1.371227 C 3.786428 -1.584908 -1.853444 C 4.370360 -2.560219 0.415471 C 3.295608 -2.462312 -0.682446 C 1.911503 -2.035936 -0.194034 C 0.775755 -2.746783 -0.550702 C -0.654662 -1.277896 0.649418 C -1.754783 -0.652379 1.256156 C -3.129094 -0.979807 1.176586 N -0.491491 -2.353743 -0.160135 N -4.274903 -1.209451 1.138708 N 0.147020 0.473947 1.882054 O 2.700981 -0.065264 0.976538 H -1.691679 1.142332 2.611027 H -0.196306 -4.326198 -1.639978 H 1.283713 -4.812273 -0.782821 H 1.406686 -3.886859 -2.287637 H 4.784284 -1.921135 -2.159922 H 3.855593 -0.532181 -1.558350 H 3.138545 -1.671269 -2.732214 H 5.306722 -2.909902 -0.034169 H 4.088321 -3.282509 1.186009 H 4.556773 -1.588143 0.885756 H 3.193869 -3.475024 -1.083460 H -1.343912 -2.844883 -0.495217