xyz coordinates of structures used in photochemical study Open form - ground state optimized at the PBE0/6-311G(d,p) level of theory in toluene 1 60 symmetry c1 C -0.304707000 3.954581000 0.208139000 C -1.427383000 3.115560000 -0.434605000 C 0.897083000 2.990091000 0.218159000 F -2.626734000 3.410030000 0.120322000 F -1.526860000 3.406114000 -1.753107000 F -0.058424000 5.089941000 -0.454566000 F -0.637783000 4.258593000 1.474966000 F 1.694564000 3.205040000 1.280820000 F 1.655473000 3.199792000 -0.893127000 C -1.007504000 1.688950000 -0.216513000 C 0.275875000 1.621287000 0.203685000 C 1.077159000 0.466417000 0.586711000 C 0.636103000 -0.562474000 1.392298000 C 2.438753000 0.310470000 0.184056000 H 2.947416000 1.010219000 -0.466863000 C 3.023135000 -0.831838000 0.651165000 S 1.893853000 -1.714358000 1.632665000 C -1.914950000 0.599315000 -0.569465000 C -1.566864000 -0.439016000 -1.410051000 C -3.267461000 0.520477000 -0.128866000 H -3.722574000 1.265272000 0.509603000 C -3.937782000 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-1.364615000 N 9.309328000 -3.657037000 -0.583411000 C 10.236129000 -2.896671000 -0.107100000 S 9.696455000 -1.327306000 0.492535000 C 11.674769000 -3.266637000 -0.044838000 H 12.286577000 -2.563551000 -0.616788000 H 11.796735000 -4.266350000 -0.460977000 H 12.038031000 -3.261305000 0.986561000 H -6.267958000 1.385933000 0.378344000 H -5.372966000 -2.732514000 -0.448559000 N -7.365836000 -1.015509000 0.007714000 C -8.334165000 -0.048923000 -0.365434000 C -8.177462000 0.696921000 -1.535498000 C -9.464840000 0.149570000 0.428775000 C -9.132901000 1.637910000 -1.893867000 C -10.423348000 1.081184000 0.054373000 C -10.260988000 1.833211000 -1.104122000 H -7.305589000 0.534243000 -2.159883000 H -9.586886000 -0.431603000 1.336354000 H -9.000355000 2.211528000 -2.805232000 H -11.297766000 1.227138000 0.679881000 H -11.008927000 2.564358000 -1.390701000 C -7.813638000 -2.298443000 0.413826000 C -8.791868000 -2.963943000 -0.326797000 C -7.297554000 -2.897635000 1.564728000 C -9.246167000 -4.210443000 0.081772000 C -7.745908000 -4.151287000 1.957024000 C -8.723420000 -4.812669000 1.220980000 H -9.193596000 -2.497074000 -1.219528000 H -6.546162000 -2.375839000 2.147488000 H -10.006753000 -4.718157000 -0.502098000 H -7.337972000 -4.606741000 2.853319000 H -9.076665000 -5.788973000 1.534327000 10 66 symmetry c1 C 0.192679000 4.289680000 -0.291107000 C 1.469370000 3.492520000 0.079643000 C -0.970926000 3.410763000 0.229726000 F 2.463235000 3.724783000 -0.813428000 F 1.932190000 3.937047000 1.281287000 F 0.182719000 5.528125000 0.216665000 F 0.101003000 4.377279000 -1.632848000 F -2.108717000 3.641370000 -0.462207000 F -1.225311000 3.752586000 1.523618000 C 1.005197000 2.081263000 0.127610000 C -0.433058000 2.029109000 0.102041000 C -1.108035000 0.859057000 -0.039354000 C -0.271210000 -0.381258000 -0.341045000 C -2.499603000 0.581102000 -0.005097000 H -3.244036000 1.364596000 0.053011000 C -2.812453000 -0.744217000 0.030946000 S -1.394559000 -1.797633000 0.042874000 C 1.756858000 0.948315000 0.230804000 C 1.000896000 -0.345105000 0.519413000 C 3.154369000 0.761874000 0.170846000 H 3.843899000 1.593846000 0.114102000 C 3.559269000 -0.546695000 0.120285000 S 2.208084000 -1.681993000 0.124694000 C 0.720278000 -0.390891000 2.030460000 H 1.663607000 -0.301639000 2.571982000 H 0.237830000 -1.327404000 2.311787000 H 0.070854000 0.439525000 2.319788000 C 0.009955000 -0.400360000 -1.852187000 H 0.601551000 0.473560000 -2.137712000 H -0.937882000 -0.371540000 -2.392514000 H 0.553389000 -1.300756000 -2.140276000 C 4.912712000 -1.046837000 0.038628000 C 7.584099000 -2.027473000 -0.137767000 C 6.018733000 -0.178542000 0.060483000 C 5.188538000 -2.418918000 -0.070630000 C 6.475884000 -2.903320000 -0.156545000 C 7.310847000 -0.643467000 -0.024394000 H 5.864854000 0.890892000 0.151097000 H 4.369432000 -3.131501000 -0.087826000 C -4.146401000 -1.329619000 0.086646000 C -6.700863000 -2.477467000 0.235470000 C -4.328061000 -2.666260000 0.499520000 C -5.263303000 -0.565180000 -0.266957000 C -6.519290000 -1.142886000 -0.184160000 C -5.581169000 -3.238267000 0.577235000 H -3.461212000 -3.257152000 0.776204000 H -5.145750000 0.452946000 -0.617699000 H -5.713026000 -4.264571000 0.899592000 N -8.004787000 -2.916721000 0.260751000 C -8.819526000 -1.990921000 -0.117207000 S -8.071145000 -0.454010000 -0.555164000 C -10.295582000 -2.152252000 -0.194351000 H -10.803176000 -1.443879000 0.466331000 H -10.552177000 -3.167460000 0.107221000 H -10.658456000 -1.977809000 -1.211027000 H 8.122824000 0.071560000 0.000677000 H 6.625640000 -3.971762000 -0.239352000 N 8.860340000 -2.493083000 -0.223246000 C 9.975051000 -1.572098000 -0.204044000 H 10.021220000 -1.006440000 0.734584000 H 10.902058000 -2.134010000 -0.303891000 H 9.923525000 -0.856916000 -1.033417000 C 9.110754000 -3.913953000 -0.319205000 H 10.185055000 -4.083552000 -0.367179000 H 8.721506000 -4.454538000 0.551973000 H 8.659380000 -4.346081000 -1.220445000 xyz coordinates of structures used in Bond Length Alternation and Transition state study ground state optimized at the B3LYP/6-31G(d,p) level of theory in vacuum transition state optimized at the B3LYP/6-31G(d,p) level of theory in vacuum 1 open Symmetry c1 C -0.669985 -0.665036 1.413101 S -1.964314 -1.803603 1.652520 C -3.080608 -0.880160 0.660591 C -2.460207 0.250749 0.199034 C -1.088484 0.377902 0.605816 C -0.276327 1.539640 0.233362 C 1.010857 1.620449 -0.192587 C 1.432377 3.062268 -0.371900 C 0.287514 3.897756 0.252692 C -0.906851 2.914254 0.284773 F -1.703281 3.126968 -0.813067 F -1.680524 3.107843 1.380473 F 0.616275 4.233784 1.523904 F 0.023192 5.019724 -0.444306 F 2.622012 3.345813 0.236275 F 1.576910 3.377479 -1.689597 C 1.937381 0.547546 -0.582197 C 1.614184 -0.479672 -1.453128 S 2.982775 -1.521251 -1.707123 C 4.007213 -0.576518 -0.641019 C 3.300788 0.489924 -0.143504 H 3.720080 1.208400 0.547850 H -2.945117 0.970723 -0.448132 C 0.329035 -0.744384 -2.176438 C 0.647116 -0.879452 2.094724 H -0.333377 -1.397464 -1.597122 H 0.508957 -1.219749 -3.144472 H -0.206431 0.192129 -2.351037 H 0.518356 -1.391635 3.052343 H 1.136099 0.078833 2.286823 H 1.330389 -1.479424 1.482788 C 7.640888 -0.311733 0.333388 C 6.321205 0.023669 0.064982 C 5.399915 -0.946530 -0.380898 C 5.855908 -2.267270 -0.562374 C 7.176446 -2.613012 -0.307649 C 8.054900 -1.629683 0.142763 H 7.534635 -3.625872 -0.441085 H 6.002658 1.053691 0.181235 H 5.164186 -3.036922 -0.889837 C -4.460480 -1.327288 0.434401 C -5.465889 -0.376912 0.196018 C -6.765545 -0.817133 -0.037416 C -7.100125 -2.193384 -0.022040 C -6.094511 -3.136046 0.228846 C -4.796163 -2.701934 0.448297 H -6.345257 -4.191300 0.238453 H -5.231095 0.681512 0.218335 S -8.213394 0.118261 -0.359054 H -4.013722 -3.435444 0.616507 N -8.433594 -2.488046 -0.258520 N 9.450004 -1.989468 0.420042 C -9.129487 -1.414887 -0.449223 C -10.598878 -1.398842 -0.728962 H -11.141970 -0.831888 0.034476 H -10.813333 -0.937619 -1.698825 H -10.964713 -2.426764 -0.735858 O 10.202173 -1.099372 0.818529 O 9.785773 -3.160601 0.238665 H 8.355806 0.426490 0.674005 2 open Symmetry c1 C -0.401082 -0.719900 1.427638 S -1.731251 -1.817182 1.663969 C -2.812438 -0.864444 0.660966 C -2.154505 0.244445 0.197987 C -0.782097 0.331442 0.612788 C 0.066955 1.466680 0.240814 C 1.359703 1.507964 -0.174570 C 1.823029 2.936512 -0.358307 C 0.698373 3.807147 0.254297 C -0.524105 2.859000 0.279633 F -1.303845 3.089640 -0.826711 F -1.302299 3.080662 1.367001 F 1.026583 4.137697 1.527206 F 0.472650 4.934268 -0.448083 F 3.016256 3.190552 0.255744 F 1.984160 3.240840 -1.676746 C 2.258525 0.407642 -0.551738 C 1.913134 -0.615039 -1.418890 S 3.256626 -1.692690 -1.660302 C 4.299099 -0.769921 -0.592424 C 3.618000 0.316353 -0.104220 H 4.052231 1.026560 0.586481 H -2.612800 0.975967 -0.455586 C 0.625667 -0.851167 -2.148182 C 0.905094 -0.971284 2.117619 H -0.056532 -1.484597 -1.569932 H 0.799138 -1.335652 -3.112916 H 0.114716 0.097449 -2.330935 H 0.756167 -1.480507 3.073879 H 1.419132 -0.026914 2.313412 H 1.575582 -1.588899 1.509113 C 7.939827 -0.586471 0.372992 C 6.629498 -0.220734 0.100626 C 5.682405 -1.172648 -0.326172 C 6.105231 -2.506098 -0.483316 C 7.417131 -2.878996 -0.223890 C 8.348161 -1.921906 0.211899 H 7.726771 -3.911109 -0.347325 H 6.338156 0.819408 0.198709 H 5.393822 -3.264111 -0.796064 C -4.204286 -1.269141 0.428470 C -5.178558 -0.288521 0.183491 C -6.489999 -0.688680 -0.056041 C -6.867158 -2.053863 -0.040634 C -5.892533 -3.026771 0.217079 C -4.582514 -2.632704 0.442774 H -6.175867 -4.073753 0.226925 H -4.911164 0.762143 0.205545 S -7.906489 0.290655 -0.386421 H -3.823987 -3.389745 0.616209 N -8.207845 -2.307433 -0.284119 C 9.701488 -2.302661 0.486587 C -8.869091 -1.213501 -0.479943 C -10.335736 -1.152187 -0.767672 H -10.865651 -0.571666 -0.005146 H -10.530765 -0.681342 -1.736987 H -10.732497 -2.168531 -0.780115 H 8.658136 0.157971 0.699036 N 10.800473 -2.612766 0.710705 3 open Symmetry c1 C -1.525583 -0.452072 1.462396 S -2.783107 -1.614949 1.770787 C -3.926172 -0.790498 0.723514 C -3.341403 0.329629 0.194051 C -1.975453 0.525616 0.592739 C -1.198889 1.686986 0.149269 C 0.085751 1.780606 -0.281627 C 0.464866 3.220680 -0.548033 C -0.710075 4.059190 0.014813 C -1.871941 3.041393 0.114350 F -2.676405 3.157130 -0.992316 F -2.650276 3.280648 1.197810 F -0.398248 4.497136 1.258855 F -1.009420 5.118433 -0.761866 F 1.639929 3.577028 0.049819 F 0.611986 3.457102 -1.881747 C 1.044505 0.714723 -0.606782 C 0.752725 -0.371336 -1.413975 S 2.154025 -1.383153 -1.609103 C 3.146801 -0.345885 -0.602611 C 2.410101 0.725210 -0.166980 H 2.807898 1.496161 0.479447 H -3.847522 0.992220 -0.496645 C -0.523980 -0.717488 -2.117885 C -0.202783 -0.582184 2.153903 H -1.160654 -1.366513 -1.506037 H -0.329523 -1.230586 -3.063662 H -1.093409 0.189936 -2.333413 H -0.315274 -1.037125 3.142011 H 0.255479 0.401312 2.283931 H 0.498793 -1.197369 1.578867 C 6.785114 0.089550 0.289530 C 5.453921 0.375336 -0.000555 C 4.554740 -0.654624 -0.328893 C 5.040792 -1.970796 -0.373226 C 6.378932 -2.246435 -0.095021 C 7.260661 -1.222182 0.244026 C 6.881136 -3.663778 -0.204371 H 5.113729 1.403989 0.021290 H 4.368680 -2.791600 -0.599362 C -5.289027 -1.297242 0.521206 C -6.323493 -0.399443 0.213091 C -7.605593 -0.898018 0.000716 C -7.894257 -2.280645 0.106162 C -6.860211 -3.169890 0.426564 C -5.579098 -2.678469 0.625015 H -7.075752 -4.230027 0.505069 H -6.124323 0.665431 0.165411 S -9.080772 -0.036083 -0.394173 H -4.774268 -3.372383 0.846945 N -9.214909 -2.635645 -0.119425 H 8.294475 -1.441346 0.480477 C -9.944406 -1.602017 -0.387201 C -11.410794 -1.654648 -0.678033 H -11.979751 -1.056637 0.041625 H -11.631363 -1.266996 -1.678249 H -11.741927 -2.692574 -0.618346 C 7.745703 1.212632 0.589324 F 5.933070 -4.558029 0.152485 F 7.959553 -3.875167 0.578905 F 7.245124 -3.960429 -1.472153 F 7.117407 2.283065 1.120347 F 8.374742 1.635410 -0.529886 F 8.703783 0.826245 1.459034 4 open Symmetry c1 C -0.946631 -0.656518 1.376631 S -2.213049 -1.828471 1.605870 C -3.359163 -0.911061 0.642870 C -2.768233 0.241810 0.197371 C -1.395800 0.392022 0.593657 C -0.613409 1.579014 0.235969 C 0.668577 1.697601 -0.197541 C 1.054376 3.152582 -0.351815 C -0.106837 3.949173 0.293078 C -1.276229 2.936287 0.317105 F -2.088123 3.150186 -0.769568 F -2.045130 3.091910 1.422710 F 0.221600 4.274114 1.567419 F -0.403624 5.075444 -0.384289 F 2.239291 3.454768 0.256407 F 1.184875 3.495743 -1.664128 C 1.618411 0.654957 -0.611081 C 1.314221 -0.367718 -1.492803 S 2.709545 -1.368835 -1.771923 C 3.716308 -0.414082 -0.698320 C 2.987403 0.625813 -0.181572 H 3.394364 1.343014 0.518460 H -3.275304 0.963000 -0.431191 C 0.030931 -0.657341 -2.210192 C 0.381711 -0.855408 2.040605 H -0.602045 -1.350534 -1.644630 H 0.216956 -1.097697 -3.193674 H -0.539416 0.263842 -2.352559 H 0.273799 -1.387069 2.990206 H 0.852955 0.109272 2.244247 H 1.070571 -1.429564 1.410586 C 7.364536 -0.059230 0.192212 C 6.033544 0.248178 -0.062388 C 5.122914 -0.751458 -0.453819 C 5.601364 -2.065897 -0.598231 C 6.935745 -2.373245 -0.354929 C 7.822524 -1.371839 0.046246 H 7.289581 -3.391289 -0.474790 H 5.698435 1.276694 0.019051 H 4.919422 -2.859180 -0.888860 C -4.731038 -1.383939 0.420783 C -5.758892 -0.451781 0.207209 C -7.050731 -0.916101 -0.022887 C -7.355682 -2.299220 -0.028118 C -6.327788 -3.223928 0.198008 C -5.037201 -2.765546 0.413809 H -6.555613 -4.284402 0.191675 H -5.546682 0.610938 0.245499 S -8.521237 -0.006843 -0.316240 H -4.237675 -3.484638 0.562760 N -8.684744 -2.618548 -0.257911 C 9.250002 -1.710970 0.374548 C -9.405121 -1.557593 -0.424306 C -10.876876 -1.568601 -0.691858 H -11.425030 -1.018851 0.080454 H -11.108392 -1.103968 -1.656212 H -11.222121 -2.603574 -0.704625 H 8.056083 0.723395 0.484546 F 10.084215 -0.680035 0.112451 F 9.689252 -2.779545 -0.326939 F 9.403370 -2.013579 1.685900 5 open Symmetry c1 C -1.099307 -0.752460 1.369383 S -2.431977 -1.842779 1.625721 C -3.528271 -0.873103 0.656084 C -2.872210 0.234558 0.187619 C -1.490392 0.308581 0.572308 C -0.642304 1.442361 0.191923 C 0.643482 1.480206 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-2.086231 C -7.608573 -0.824628 0.142135 C -6.312607 -0.354884 0.243696 C -5.203498 -1.204700 0.027088 C -5.469771 -2.548340 -0.285222 C -6.770416 -3.035227 -0.390376 C -7.852333 -2.171857 -0.177960 H -6.927297 -4.077931 -0.637606 H -6.152617 0.683977 0.511122 H -4.646246 -3.233323 -0.462336 C 3.974610 -1.277334 0.145049 C 5.051774 -0.488925 -0.298911 C 6.340409 -1.002791 -0.217122 C 6.594657 -2.301437 0.291282 C 5.517813 -3.087414 0.722855 C 4.231870 -2.577216 0.646189 H 5.707745 -4.081626 1.112428 H 4.873414 0.494319 -0.718965 S 7.861260 -0.268274 -0.691253 H 3.401975 -3.183143 0.995157 N 7.924437 -2.687556 0.307172 O -9.159844 -2.532334 -0.251701 C 8.693477 -1.758603 -0.161870 C 10.180509 -1.871706 -0.275895 H 10.505878 -1.781469 -1.317721 H 10.683235 -1.085531 0.297127 H 10.487929 -2.845116 0.109311 H -8.457757 -0.172067 0.314118 C -9.474975 -3.882665 -0.567082 H -9.091568 -4.164683 -1.555238 H -10.563736 -3.941988 -0.572823 H -9.078418 -4.574764 0.185797 9 close Symmetry c1 C 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-0.146143 0.099567 C -3.778138 -1.414513 0.451832 C -5.135743 -1.695114 0.419528 C -6.063484 -0.716858 0.013807 H -5.487743 -2.675049 0.720271 H -3.871027 1.804543 -0.628824 H -3.094401 -2.185449 0.793385 C 5.788257 -1.576620 0.217415 C 6.974865 -0.982938 -0.249920 C 8.170716 -1.679911 -0.124481 C 8.223077 -2.974645 0.450448 C 7.037374 -3.566501 0.905664 C 5.843793 -2.873151 0.786024 H 7.072455 -4.556788 1.346588 S 9.787783 -1.207509 -0.613561 H 4.929958 -3.328827 1.153297 N -7.441196 -0.996364 -0.028109 H -6.259741 1.316114 -0.694478 N 9.479160 -3.555464 0.502615 H -11.321879 1.244078 -1.048207 H -11.048226 2.808865 0.867713 C -10.464594 1.153304 -0.387633 H -9.630806 -0.513822 -1.471633 C -10.310509 2.033803 0.684873 C -9.515620 0.162377 -0.631116 C -9.199951 1.907270 1.521682 C -8.402024 0.030997 0.211351 C -8.254811 0.908141 1.296474 H -9.073501 2.579735 2.365091 H -7.400806 0.801161 1.957007 H -7.434784 -4.886341 -2.486788 H -9.213753 -5.901062 -1.072988 C -7.848321 -4.332500 -1.649075 H -6.616306 -2.599133 -2.007197 C -8.849486 -4.901097 -0.858987 C -7.383865 -3.045668 -1.383852 C -9.379287 -4.171879 0.207227 C -7.907485 -2.316622 -0.305723 C -8.908971 -2.890952 0.490371 H -10.155208 -4.605117 0.831544 H -9.313118 -2.328376 1.325366 C 10.382383 -2.777826 -0.001015 C 11.836326 -3.117781 -0.087402 H 11.987083 -4.117575 0.322686 H 12.444067 -2.404541 0.479489 H 12.186894 -3.100273 -1.124663 H 6.949691 -0.006634 -0.720251 10 close Symmetry c1 C 0.262369 -0.448265 -0.409735 S 1.430546 -1.858593 -0.023677 C 2.847857 -0.781083 -0.146425 C 2.510542 0.542800 -0.199761 C 1.110305 0.810785 -0.158300 C 0.441423 1.989090 -0.006299 C -0.999967 2.044031 0.075505 C -1.465855 3.465750 0.032252 C -0.199034 4.266617 -0.389275 C 0.993215 3.379641 0.069795 F 1.328689 3.736224 1.350415 F 2.096738 3.587654 -0.701743 F -0.169271 4.364543 -1.743876 F -0.164022 5.506270 0.137764 F -2.500136 3.685935 -0.832344 F -1.883923 3.916678 1.257377 C -1.753371 0.910714 0.214026 C -0.995905 -0.398390 0.491474 S -2.252414 -1.735872 0.136301 C -3.595491 -0.562674 0.152700 C -3.161440 0.740413 0.185929 H -3.832488 1.588101 0.128301 H 3.240917 1.339716 -0.264063 C -0.674923 -0.449766 2.006613 C -0.062538 -0.508296 -1.923266 H -0.211458 -1.398618 2.280206 H -1.601255 -0.334136 2.572790 H 0.004006 0.362143 2.280339 H 0.869156 -0.469615 -2.491216 H -0.682469 0.343641 -2.215316 H -0.591414 -1.427965 -2.176913 C -7.370113 -0.578618 0.152789 C -6.058909 -0.142919 0.201088 C -4.969400 -1.035740 0.108074 C -5.284382 -2.402270 -0.030299 C -6.591691 -2.856315 -0.079350 C -7.680865 -1.955246 0.007246 H -6.767647 -3.919101 -0.186102 H -5.876699 0.919505 0.322962 H -4.484504 -3.133126 -0.102160 C 4.198178 -1.348323 -0.160937 C 5.302529 -0.544421 0.176783 C 6.576338 -1.098074 0.135681 C 6.790613 -2.452052 -0.225762 C 5.687424 -3.252612 -0.548850 C 4.415362 -2.703453 -0.513104 H 5.845781 -4.289158 -0.826278 H 5.156690 0.484902 0.483546 S 8.123117 -0.353685 0.499077 H 3.563998 -3.319335 -0.782495 N 8.110744 -2.871356 -0.218755 N -8.984507 -2.394215 -0.045984 C 8.910037 -1.915291 0.128971 C 10.396152 -2.052074 0.229342 H 10.905034 -1.355591 -0.445407 H 10.745903 -1.843145 1.245899 H 10.672404 -3.072987 -0.038817 H -8.162412 0.154625 0.234434 C -9.272108 -3.815890 -0.145857 H -8.845919 -4.252349 -1.058312 H -10.351821 -3.961811 -0.179020 H -8.880036 -4.376337 0.713718 C -10.080475 -1.446478 0.076277 H -10.048887 -0.688009 -0.716107 H -10.071547 -0.927092 1.044337 H -11.026932 -1.980154 -0.010649 1 TS Symmetry c1 C 0.159177 -0.459385 -0.838034 S 1.320093 -1.829620 -0.861981 C 2.709647 -0.804456 -0.500001 C 2.310185 0.530495 -0.419837 C 0.943542 0.750105 -0.602648 C 0.255624 1.986989 -0.278906 C -0.986476 2.027209 0.288037 C -1.423813 3.437405 0.551927 C -0.364763 4.316199 -0.177533 C 0.840559 3.360547 -0.416501 F 1.812164 3.590611 0.524442 F 1.411504 3.577890 -1.629422 F -0.857992 4.714262 -1.374611 F -0.023644 5.404207 0.539466 F -2.680994 3.703365 0.084449 F -1.431752 3.726112 1.884410 C -1.750007 0.826214 0.596724 C -1.028349 -0.422269 0.838887 S -2.254488 -1.732741 0.868028 C -3.590878 -0.640515 0.506148 C -3.123384 0.675339 0.419020 H -3.762735 1.510917 0.164223 H 2.989088 1.330785 -0.150386 C -0.025711 -0.532506 1.976627 C -0.847483 -0.526106 -1.975452 H 0.494231 -1.493756 1.951921 H -0.542056 -0.446853 2.937201 H 0.718911 0.262595 1.919464 H -0.328161 -0.467247 -2.936428 H -1.554439 0.302948 -1.920280 H -1.411460 -1.462173 -1.948393 C -7.318091 -0.656210 -0.011950 C -6.022304 -0.210267 0.185869 C -4.940828 -1.119070 0.297650 C -5.229186 -2.501822 0.206543 C -6.522696 -2.957357 0.008404 C -7.559303 -2.029349 -0.100481 H -6.746800 -4.013882 -0.066011 H -5.843957 0.855764 0.267911 H -4.424765 -3.226266 0.282146 C 4.037309 -1.355113 -0.289072 C 5.161393 -0.503265 -0.277239 C 6.421126 -1.051086 -0.071848 C 6.609422 -2.443206 0.120711 C 5.490952 -3.289249 0.103148 C 4.233078 -2.749072 -0.098956 H 5.628566 -4.354765 0.251883 H 5.046078 0.561365 -0.444839 S 7.981649 -0.252220 -0.010337 H 3.371463 -3.408952 -0.097059 N 7.918190 -2.849900 0.309503 N -8.926080 -2.504099 -0.309482 C 8.737133 -1.848384 0.269961 C 10.218487 -1.960875 0.440670 H 10.748693 -1.593671 -0.444395 H 10.564253 -1.376293 1.299765 H 10.473840 -3.009838 0.598426 H -8.147945 0.033986 -0.095568 O -9.818958 -1.658809 -0.404332 O -9.106463 -3.722070 -0.379532 2 TS Symmetry c1 C -0.099025 -0.541458 -0.852292 S 1.119482 -1.860862 -0.879090 C 2.462588 -0.779151 -0.504725 C 2.005985 0.536564 -0.418242 C 0.631587 0.698890 -0.605611 C -0.109628 1.903051 -0.277872 C -1.356296 1.887509 0.281952 C -1.854723 3.276572 0.548542 C -0.829218 4.202884 -0.169617 C 0.417258 3.300667 -0.404117 F 1.371457 3.567796 0.545156 F 0.987537 3.549143 -1.611618 F -1.330749 4.585294 -1.368550 F -0.539956 5.301580 0.554212 F -3.119108 3.491855 0.073498 F -1.884417 3.559389 1.882223 C -2.069622 0.654733 0.582248 C -1.298027 -0.563833 0.821036 S -2.469253 -1.924501 0.837813 C -3.848400 -0.885902 0.475827 C -3.436056 0.447365 0.397671 H -4.108207 1.257090 0.143635 H 2.648844 1.363503 -0.140833 C -0.295798 -0.639229 1.961755 C -1.097898 -0.644456 -1.993643 H 0.264216 -1.577629 1.932964 H -0.818274 -0.581248 2.921140 H 0.415160 0.186628 1.912020 H -0.578585 -0.558309 -2.952627 H -1.839673 0.153461 -1.936275 H -1.621953 -1.603658 -1.973462 C -7.570675 -1.059448 -0.054056 C -6.296173 -0.559409 0.151788 C -5.177606 -1.420164 0.258857 C -5.408446 -2.811099 0.154378 C -6.681579 -3.317568 -0.051859 C -7.781064 -2.447414 -0.159868 H -6.836179 -4.388062 -0.133091 H -6.164176 0.512715 0.243914 H -4.574781 -3.502349 0.225849 C 3.811767 -1.273900 -0.290953 C 4.898592 -0.375218 -0.269508 C 6.179642 -0.870067 -0.061269 C 6.426428 -2.253859 0.124599 C 5.345067 -3.146529 0.097347 C 4.066148 -2.659244 -0.107487 H 5.527244 -4.206074 0.240881 H 4.738709 0.684448 -0.431929 S 7.704503 -0.005698 0.011622 H 3.233378 -3.355149 -0.113074 N 7.750690 -2.605438 0.317069 C -9.097091 -2.966204 -0.372697 C 8.526277 -1.569759 0.286648 C 10.010387 -1.619915 0.463415 H 10.528308 -1.225482 -0.417211 H 10.327313 -1.026038 1.327260 H 10.309567 -2.657929 0.616583 H -8.415257 -0.383226 -0.130887 N -10.167922 -3.388516 -0.546807 3 TS Symmetry c1 C -0.960853 -0.283559 0.836761 S -2.064628 -1.700353 0.868360 C -3.494961 -0.734767 0.499288 C -3.150367 0.614598 0.410812 C -1.793761 0.891472 0.592498 C -1.157089 2.153291 0.262259 C 0.085018 2.241997 -0.301676 C 0.465188 3.668147 -0.568120 C -0.631671 4.505018 0.154465 C -1.798196 3.502011 0.390954 F -2.773634 3.689476 -0.555884 F -2.384430 3.701274 1.599972 F -0.160223 4.925882 1.352671 F -1.013411 5.576912 -0.566656 F 1.708685 3.987191 -0.097058 F 0.466294 3.953527 -1.901566 C 0.897259 1.073742 -0.605531 C 0.229411 -0.205337 -0.839944 S 1.510868 -1.463866 -0.861133 C 2.797451 -0.312282 -0.506270 C 2.278585 0.980904 -0.426585 H 2.882421 1.844032 -0.176118 H -3.861287 1.384776 0.136071 C -0.766709 -0.366108 -1.977319 C 0.046733 -0.301759 1.974989 H -1.246168 -1.348007 -1.945515 H -0.254180 -0.265813 -2.938552 H -1.543962 0.397557 -1.925820 H -0.474959 -0.257800 2.935541 H 0.719396 0.555039 1.914440 H 0.648373 -1.214304 1.954311 C 6.527453 -0.189440 -0.004609 C 5.212803 0.212524 -0.209241 C 4.170695 -0.735679 -0.294231 C 4.512874 -2.097805 -0.173153 C 5.833506 -2.488797 0.027075 C 6.854508 -1.542484 0.115329 C 6.174996 -3.956135 0.087698 H 5.000571 1.268841 -0.319213 H 3.742239 -2.859137 -0.219804 C -4.798883 -1.340654 0.291178 C -5.957074 -0.535908 0.273510 C -7.193092 -1.136251 0.070668 C -7.324117 -2.535996 -0.113408 C -6.171858 -3.335196 -0.089928 C -4.937332 -2.742599 0.109548 H -6.265408 -4.406388 -0.232112 H -5.885656 0.533565 0.434621 S -8.785122 -0.402353 0.003305 H -4.049344 -3.366525 0.112270 N -8.615129 -2.997142 -0.300425 H 7.880963 -1.850482 0.271333 C -9.474399 -2.029852 -0.267544 C -10.949811 -2.204005 -0.438403 H -11.495443 -1.853483 0.444063 H -11.318634 -1.639433 -1.301300 H -11.161783 -3.263524 -0.589835 C 7.611554 0.847275 0.148835 F 7.298715 2.000225 -0.480599 F 8.788240 0.413341 -0.351198 F 7.822679 1.149577 1.449849 F 5.144197 -4.692174 0.557052 F 7.239756 -4.187280 0.884896 F 6.483545 -4.441501 -1.135851 4 TS Symmetry c1 C -0.429307 -0.403879 0.817048 S -1.542090 -1.814096 0.837567 C -2.969011 -0.834208 0.492278 C -2.616141 0.513550 0.419297 C -1.256085 0.779412 0.594481 C -0.613818 2.041264 0.276784 C 0.625963 2.130078 -0.293562 C 1.013121 3.557430 -0.541526 C -0.074796 4.390653 0.198196 C -1.245902 3.391584 0.427262 F -2.225652 3.598898 -0.511378 F -1.824692 3.578573 1.642143 F 0.405481 4.792957 1.399531 F -0.453766 5.475015 -0.506087 F 2.261004 3.863748 -0.072534 F 1.009646 3.862548 -1.870932 C 1.428823 0.961945 -0.620378 C 0.752391 -0.309884 -0.868696 S 2.026281 -1.574618 -0.916285 C 3.323463 -0.435909 -0.553110 C 2.811079 0.858427 -0.452274 H 3.421746 1.713385 -0.191168 H -3.323929 1.291955 0.159954 C -0.253672 -0.448553 -1.999975 C 0.587158 -0.444216 1.946610 H -0.738694 -1.428045 -1.978264 H 0.251586 -0.337613 -2.963963 H -1.026209 0.318617 -1.931496 H 0.073758 -0.411395 2.912133 H 1.264316 0.409454 1.892673 H 1.183915 -1.359363 1.907350 C 7.060645 -0.334293 -0.097560 C 5.747606 0.071656 -0.285224 C 4.695474 -0.869770 -0.355709 C 5.029583 -2.236365 -0.238905 C 6.344345 -2.641866 -0.051639 C 7.368797 -1.694094 0.021492 H 6.579497 -3.697112 0.032750 H 5.535446 1.129245 -0.395788 H 4.248441 -2.988498 -0.286472 C -4.278422 -1.428812 0.285340 C -5.431707 -0.616880 0.287545 C -6.672968 -1.206545 0.085126 C -6.814505 -2.602583 -0.117731 C -5.667180 -3.409101 -0.113859 C -4.427445 -2.827112 0.084938 H -5.768513 -4.477603 -0.270420 H -5.352268 0.449729 0.463260 S -8.260823 -0.461608 0.039717 H -3.543395 -3.456481 0.072403 N -8.109959 -3.052832 -0.301805 C 8.783792 -2.126165 0.283683 C -8.962647 -2.080707 -0.249018 C -10.440407 -2.243005 -0.411537 H -10.977490 -1.901676 0.479753 H -10.811913 -1.663953 -1.263639 H -10.660284 -3.298916 -0.576420 H 7.854659 0.403301 -0.056094 F 9.678879 -1.287902 -0.285647 F 9.027851 -3.367902 -0.191607 F 9.063006 -2.152866 1.609160 5 TS Symmetry c1 C -0.595374 -0.518752 0.843003 S -1.793149 -1.857554 0.874503 C -3.155003 -0.796151 0.506622 C -2.719074 0.525641 0.418234 C -1.345767 0.709785 0.599083 C -0.625514 1.925196 0.269465 C 0.622402 1.930974 -0.291958 C 1.097769 3.328911 -0.552154 C 0.056369 4.235729 0.167202 C -1.175124 3.312837 0.397286 F -2.132793 3.568966 -0.552706 F -1.752337 3.551252 1.604377 F 0.549804 4.623998 1.368122 F -0.249655 5.332773 -0.553471 F 2.357956 3.565684 -0.074873 F 1.125220 3.618822 -1.885107 C 1.354667 0.713399 -0.601035 C 0.604721 -0.518381 -0.838336 S 1.801086 -1.857346 -0.862774 C 3.163131 -0.794490 -0.502579 C 2.727839 0.528733 -0.421194 H 3.386155 1.347927 -0.160949 H -3.375759 1.342670 0.143514 C -0.402365 -0.611407 -1.973026 C 0.411754 -0.607517 1.977856 H -0.945407 -1.559765 -1.941345 H 0.112532 -0.543411 -2.936003 H -1.128137 0.201248 -1.918182 H -0.102168 -0.530754 2.940706 H 1.140914 0.201638 1.916195 H 0.951179 -1.558106 1.952513 C -4.497352 -1.311666 0.297804 C -5.598783 -0.430804 0.281954 C -6.872604 -0.945708 0.077582 C -7.098727 -2.332695 -0.109326 C -6.003110 -3.207811 -0.087307 C -4.731182 -2.700538 0.113287 H -6.168769 -4.270023 -0.231573 H -5.454992 0.631029 0.445326 S -8.411486 -0.105064 0.011642 H -3.887355 -3.382995 0.114741 N -8.418496 -2.704685 -0.297237 C -9.209951 -1.681459 -0.262434 C -10.693899 -1.754584 -0.433706 H -11.214932 -1.369411 0.449234 H -11.023619 -1.164980 -1.295742 H -10.977279 -2.797057 -0.586944 H 6.179209 -4.267917 0.226610 H 10.985805 -2.791755 0.596219 C 6.012809 -3.205242 0.086646 N 8.427425 -2.700689 0.302571 H 11.029472 -1.162584 1.311840 C 10.701663 -1.748926 0.446852 C 7.107624 -2.329237 0.114009 C 9.217919 -1.676529 0.273509 C 4.740789 -2.698327 -0.113907 C 6.880332 -0.941709 -0.067385 C 4.505579 -1.308845 -0.293051 H 11.223739 -1.359616 -0.433657 S 8.418284 -0.099763 0.004895 C 5.606375 -0.427084 -0.271313 H 5.462050 0.635450 -0.429280 H 3.897856 -3.381871 -0.120003 6 TS Symmetry c1 C 0.412782 -0.699079 0.884129 S -0.919341 -1.904462 0.917040 C -2.157175 -0.712207 0.513028 C -1.583610 0.554969 0.411491 C -0.201167 0.597198 0.610304 C 0.647276 1.724940 0.274343 C 1.897214 1.590674 -0.266891 C 2.520622 2.926942 -0.538683 C 1.569655 3.949065 0.150649 C 0.244677 3.164243 0.373158 F -0.666369 3.504576 -0.596220 F -0.322607 3.481270 1.566921 F 2.083112 4.302141 1.354110 F 1.391586 5.060970 -0.590079 F 3.791406 3.038102 -0.044279 F 2.597921 3.191633 -1.874995 C 2.501612 0.298650 -0.546845 C 1.629990 -0.851476 -0.777806 S 2.679076 -2.308897 -0.763176 C 4.139824 -1.388526 -0.398042 C 3.846012 -0.026681 -0.343319 H 4.584589 0.722287 -0.087277 H -2.147083 1.431736 0.114774 C 0.634639 -0.856449 -1.926575 C 1.388899 -0.873863 2.035981 H -0.006378 -1.741315 -1.888963 H 1.167383 -0.859650 -2.882219 H -0.001452 0.029341 -1.895739 H 0.872229 -0.728179 2.989374 H 2.199456 -0.146317 1.973754 H 1.826417 -1.875761 2.033070 C 7.838073 -1.898438 0.111376 C 6.612633 -1.284119 -0.118254 C 5.418856 -2.038494 -0.158153 C 5.514244 -3.432913 0.034854 C 6.743735 -4.042378 0.263123 C 7.913422 -3.280775 0.304433 H 6.788038 -5.117143 0.412334 H 6.579138 -0.212586 -0.284362 H 4.614439 -4.040621 0.018936 C -3.543344 -1.087463 0.291922 C -4.545822 -0.096358 0.245721 C -5.863874 -0.478218 0.030212 C -6.232124 -1.836784 -0.138434 C -5.234949 -2.821471 -0.086274 C -3.919527 -2.447082 0.125545 H -5.509419 -3.862764 -0.216430 H -4.293393 0.947174 0.394618 S -7.304847 0.518024 -0.072003 H -3.152228 -3.214170 0.150419 N -7.581109 -2.071398 -0.340344 H 8.872333 -3.757701 0.481910 C -8.260958 -0.970337 -0.333418 C -9.741970 -0.890266 -0.525809 H -10.231336 -0.437467 0.343051 H -9.996392 -0.284205 -1.401836 H -10.131343 -1.899728 -0.666945 H 8.741262 -1.295832 0.134415 7 TS Symmetry c1 C 0.210201 -0.594620 0.869502 S -1.052840 -1.871998 0.902280 C -2.356897 -0.747861 0.510921 C -1.854722 0.549225 0.413793 C -0.475280 0.666909 0.606145 C 0.307165 1.841831 0.272523 C 1.560495 1.781103 -0.275694 C 2.107002 3.151823 -0.539619 C 1.103389 4.114445 0.160204 C -0.174589 3.255425 0.382402 F -1.107501 3.551832 -0.581000 F -0.753808 3.533286 1.580479 F 1.601433 4.488232 1.364140 F 0.860677 5.219920 -0.572148 F 3.371912 3.331253 -0.048535 F 2.165406 3.430803 -1.874232 C 2.234904 0.527767 -0.569095 C 1.428842 -0.668139 -0.803135 S 2.560307 -2.063515 -0.805357 C 3.969794 -1.063348 -0.442455 C 3.597474 0.278552 -0.375742 H 4.292141 1.068235 -0.118964 H -2.467228 1.395129 0.124634 C 0.427670 -0.723061 -1.945118 C 1.203251 -0.722935 2.012626 H -0.161058 -1.643685 -1.909341 H 0.952465 -0.689099 -2.904652 H -0.258492 0.124106 -1.903507 H 0.687321 -0.612131 2.971177 H 1.972173 0.048396 1.948951 H 1.695355 -1.699152 1.999211 C 7.691076 -1.364194 0.078608 C 6.430657 -0.823365 -0.135852 C 5.282862 -1.641089 -0.217317 C 5.471334 -3.034431 -0.078212 C 6.726650 -3.582610 0.135973 C 7.848966 -2.749264 0.217145 H 6.859289 -4.653496 0.245665 H 6.339317 0.250823 -0.255281 H 4.614516 -3.699496 -0.127661 C -3.721279 -1.198112 0.293740 C -4.777548 -0.264093 0.257996 C -6.073378 -0.717287 0.045815 C -6.366659 -2.093095 -0.129487 C -5.316103 -3.021089 -0.087610 C -4.022460 -2.575475 0.120712 H -5.532902 -4.075277 -0.222860 H -4.582677 0.790949 0.412183 S -7.567945 0.198155 -0.044080 H -3.213636 -3.298876 0.137565 N -7.701633 -2.400953 -0.326934 O 9.058997 -3.339404 0.428255 C -8.441399 -1.339405 -0.310356 C -9.925501 -1.340461 -0.495807 H -10.435242 -0.920583 0.377876 H -10.217332 -0.744436 -1.367061 H -10.258941 -2.369155 -0.641334 H 8.558181 -0.709610 0.133202 H 9.745276 -2.659809 0.463252 8 TS Symmetry c1 C 0.008780 -0.483876 0.850231 S -1.170960 -1.838740 0.876593 C -2.545782 -0.795237 0.504297 C -2.126867 0.531823 0.418008 C -0.756443 0.734380 0.604060 C -0.051702 1.959746 0.278361 C 1.199409 1.983918 -0.277636 C 1.656168 3.389191 -0.530981 C 0.598159 4.279262 0.184662 C -0.621273 3.338740 0.405606 F -1.577565 3.584825 -0.549113 F -1.209177 3.567421 1.609897 F 1.079309 4.672012 1.389386 F 0.280895 5.374253 -0.534862 F 2.910201 3.643753 -0.046101 F 1.687126 3.684020 -1.863108 C 1.949868 0.778719 -0.587760 C 1.219214 -0.462894 -0.830523 S 2.435998 -1.784188 -0.854101 C 3.782497 -0.701134 -0.487497 C 3.326660 0.613896 -0.404506 H 3.972191 1.443189 -0.144612 H -2.793174 1.340332 0.141093 C 0.216140 -0.568447 -1.967193 C 1.015494 -0.560981 1.985929 H -0.313815 -1.524352 -1.937858 H 0.731715 -0.491907 -2.929280 H -0.521252 0.233748 -1.912723 H 0.499964 -0.493367 2.948717 H 1.733490 0.258243 1.926174 H 1.568579 -1.503701 1.958674 C 7.513145 -0.767002 0.033253 C 6.225728 -0.305978 -0.168694 C 5.130001 -1.197062 -0.274329 C 5.410039 -2.572730 -0.170438 C 6.702772 -3.048571 0.033010 C 7.767889 -2.145390 0.137529 H 6.866334 -4.116592 0.110219 H 6.063403 0.762686 -0.259302 H 4.600048 -3.292761 -0.238631 C -3.880334 -1.328403 0.289704 C -4.993583 -0.462570 0.268928 C -6.259503 -0.994449 0.058830 C -6.466652 -2.384191 -0.128951 C -5.359488 -3.244449 -0.101924 C -4.095286 -2.720247 0.104231 H -5.510248 -4.308834 -0.246779 H -4.864650 0.601099 0.432766 S -7.809253 -0.174135 -0.014071 H -3.242400 -3.391329 0.109540 N -7.780746 -2.773590 -0.322657 O 9.068377 -2.493640 0.335061 C -8.585735 -1.760947 -0.291486 C -10.067880 -1.853638 -0.469368 H -10.598053 -1.475144 0.411041 H -10.401621 -1.268790 -1.333123 H -10.336786 -2.899832 -0.623482 H 8.348767 -0.079472 0.109808 C 9.389359 -3.873574 0.442487 H 10.468487 -3.919601 0.592968 H 9.127965 -4.420716 -0.471804 H 8.884843 -4.339589 1.298042 9 TS Symmetry c1 C -1.928600 -0.303127 0.767232 S -2.893367 -1.813597 0.643312 C -4.414438 -0.952899 0.393008 C -4.198928 0.423040 0.456038 C -2.870419 0.806457 0.661730 C -2.362114 2.152195 0.473769 C -1.140299 2.425371 -0.079965 C -0.903898 3.902358 -0.177903 C -2.068069 4.539447 0.635932 C -3.128335 3.407351 0.756232 F -4.130738 3.609571 -0.160789 F -3.718177 3.411831 1.981164 F -1.626388 4.867182 1.874805 F -2.560209 5.645811 0.043194 F 0.307733 4.289062 0.327504 F -0.944294 4.342093 -1.469277 C -0.224106 1.387194 -0.523506 C -0.766479 0.085030 -0.904054 S 0.632315 -1.028335 -1.077781 C 1.811922 0.198885 -0.599976 C 1.163465 1.413131 -0.365787 H 1.682840 2.300672 -0.027550 H -4.982867 1.148438 0.272805 C -1.764504 -0.041599 -2.042820 C -0.899106 -0.354815 1.883690 H -2.144042 -1.063940 -2.122134 H -1.285043 0.220144 -2.990963 H -2.612978 0.628176 -1.895346 H -1.399502 -0.472964 2.849596 H -0.312188 0.564333 1.914687 H -0.212699 -1.194892 1.747770 C -5.658755 -1.652582 0.121582 C -6.888544 -0.966542 0.201248 C -8.065048 -1.655122 -0.065795 C -8.066849 -3.030294 -0.409884 C -6.843795 -3.712495 -0.482639 C -5.667905 -3.031254 -0.220459 H -6.837297 -4.764437 -0.747239 H -6.916080 0.079284 0.484724 S -9.720647 -1.073242 -0.042383 H -4.724783 -3.563286 -0.292966 N -9.311915 -3.587945 -0.644328 C -10.257735 -2.717285 -0.496951 C -11.712721 -3.010427 -0.681670 H -12.276708 -2.816890 0.236991 H -12.145857 -2.389009 -1.472712 H -11.825937 -4.061127 -0.953339 H 11.260064 1.332576 0.762012 H 9.538198 -0.334341 1.380577 C 10.415558 1.162541 0.100532 C 9.449022 0.223294 0.454314 H 6.368458 -2.295340 2.070577 H 7.108250 -4.499281 2.917952 C 10.295195 1.892831 -1.083407 C 7.175835 -2.825594 1.576661 H 3.055428 -2.205727 -0.968880 H 5.432355 -2.701331 -0.732496 H 11.046636 2.628607 -1.352366 C 3.728768 -1.406297 -0.674145 C 5.077713 -1.694543 -0.542703 C 7.596819 -4.066792 2.049652 C 8.350733 -0.010040 -0.387196 C 3.219192 -0.107270 -0.453920 C 5.996149 -0.693442 -0.173659 N 7.369547 -0.981820 -0.034507 C 7.795167 -2.250298 0.456254 C 4.154008 0.889570 -0.088541 C 5.501811 0.606917 0.052502 C 9.199392 1.666742 -1.918733 C 8.236975 0.716877 -1.582330 C 8.649043 -4.742854 1.428736 H 3.817001 1.902983 0.101418 H 6.186550 1.394399 0.346594 H 8.979018 -5.706312 1.804561 C 8.847883 -2.934258 -0.170513 H 9.098093 2.221613 -2.846909 C 9.273422 -4.166838 0.320683 H 7.394835 0.532197 -2.240874 H 9.326675 -2.494183 -1.038804 H 10.089440 -4.684547 -0.175058 10 TS Symmetry c1 C 0.233066 -0.447679 -0.839389 S 1.382397 -1.828474 -0.871726 C 2.782272 -0.815515 -0.507978 C 2.393106 0.520092 -0.420438 C 1.026093 0.753089 -0.599286 C 0.351180 1.994302 -0.270539 C -0.896239 2.047863 0.292849 C -1.318509 3.463386 0.546572 C -0.243973 4.327883 -0.175171 C 0.951595 3.359108 -0.402306 F 1.919723 3.585350 0.546083 F 1.537847 3.574148 -1.610438 F -0.722334 4.732384 -1.377493 F 0.102663 5.416028 0.541961 F -2.568935 3.748229 0.067704 F -1.336632 3.761545 1.878618 C -1.672850 0.861169 0.609951 C -0.970128 -0.396800 0.850436 S -2.218100 -1.688675 0.884057 C -3.543508 -0.574129 0.525285 C -3.053887 0.729622 0.436582 H -3.680618 1.575117 0.183045 H 3.078551 1.313943 -0.147671 C 0.037806 -0.524055 1.980195 C -0.784065 -0.504749 -1.966700 H 0.543902 -1.492857 1.949627 H -0.468618 -0.432547 2.945948 H 0.794651 0.259345 1.918377 H -0.275530 -0.450106 -2.934119 H -1.483514 0.330034 -1.902027 H -1.357895 -1.434806 -1.932559 C -7.270812 -0.558984 -0.045417 C -5.968744 -0.131433 0.143715 C -4.899656 -1.037817 0.324749 C -5.230986 -2.409463 0.302245 C -6.529238 -2.852127 0.111885 C -7.596791 -1.938352 -0.062384 H -6.714143 -3.918832 0.096674 H -5.777569 0.936559 0.157196 H -4.448603 -3.152473 0.427259 C 4.105773 -1.377901 -0.299520 C 5.238452 -0.537412 -0.285194 C 6.493183 -1.097241 -0.080569 C 6.670602 -2.490936 0.107695 C 5.544294 -3.326100 0.086939 C 4.291047 -2.774015 -0.113539 H 5.671834 -4.393502 0.232171 H 5.132431 0.528712 -0.449545 S 8.061359 -0.311361 -0.016088 H 3.423346 -3.425843 -0.113949 N 7.976902 -2.909193 0.295357 N -8.896489 -2.369996 -0.235733 C 8.803953 -1.914784 0.259184 C 10.284612 -2.040184 0.429911 H 10.818927 -1.674510 -0.453445 H 10.635701 -1.462189 1.291436 H 10.530901 -3.091990 0.583816 H -8.044107 0.186898 -0.179795 C -9.180590 -3.790781 -0.346670 C -9.949599 -1.409395 -0.519118 H -8.860931 -4.333494 0.551325 H -8.686383 -4.250769 -1.214710 H -10.256068 -3.933917 -0.454405 H -9.775811 -0.861294 -1.456392 H -10.049137 -0.674474 0.289072 H -10.900470 -1.935669 -0.606367