#Cartesian coordinates of the reported structures #Cartesian coordinates of the optimized geometries are given below in standard XYZ format (units are in Å). The first line indicates total number of atoms, while the second line is the molecule name (as defined above in Table SX). 34 BCF B 3.929989 -0.776895 -0.460137 C 3.016776 0.231570 -1.244432 C 2.424131 1.342569 -0.620984 C 2.740736 0.079188 -2.613700 C 1.603301 2.242424 -1.298555 C 1.939700 0.968215 -3.328245 C 1.365273 2.054025 -2.662424 C 4.885101 -0.254370 0.671567 C 5.537373 0.987213 0.584015 C 5.141129 -0.998705 1.835643 C 6.395713 1.463207 1.573658 C 5.979180 -0.547678 2.853918 C 6.612865 0.690043 2.717051 C 3.886717 -2.307802 -0.807097 C 2.695915 -2.955706 -1.176909 C 5.035229 -3.116325 -0.765686 C 2.635342 -4.315435 -1.477164 C 5.016565 -4.474880 -1.076495 C 3.806014 -5.076681 -1.429633 F 1.547236 -2.275343 -1.231970 F 1.482739 -4.891771 -1.807223 F 3.768223 -6.368886 -1.719855 F 6.131240 -5.199934 -1.039129 F 6.219027 -2.589470 -0.439349 F 4.555536 -2.185602 2.019382 F 6.181402 -1.278725 3.946761 F 7.419482 1.130542 3.671396 F 7.005552 2.638129 1.442355 F 5.369149 1.762919 -0.490897 F 2.615238 1.565389 0.682603 F 1.049019 3.272535 -0.665101 F 0.594460 2.904623 -3.324109 F 1.717174 0.794554 -4.628229 F 3.270120 -0.938762 -3.298591 11 py C -1.386813 -1.786696 2.355990 C 0.601372 -0.651377 2.356201 C -1.435875 -1.814580 3.754191 H -2.192351 -2.246471 1.770725 C 0.650183 -0.623578 3.754461 H 1.406990 -0.191434 1.771169 C -0.392890 -1.219115 4.468778 H -2.273750 -2.292869 4.266428 H 1.487961 -0.145257 4.266827 H -0.393040 -1.219166 5.561809 N -0.392642 -1.218993 1.662795 45 BCF-py B -0.408782 -1.235251 -0.026119 C -1.750774 -1.145465 2.145622 C 0.531324 -1.527084 2.403661 C -1.967899 -1.264081 3.508715 H -2.567991 -0.957559 1.448972 C 0.387299 -1.659181 3.780590 H 1.497051 -1.654154 1.919279 C -0.879168 -1.521303 4.348156 H -2.979671 -1.157552 3.901279 H 1.266326 -1.872585 4.389685 H -1.019710 -1.619398 5.426561 N -0.517760 -1.261239 1.603330 C 1.153488 -1.091253 -0.521133 C 1.934599 -0.030772 -0.042934 C 1.751950 -1.844556 -1.537994 C 3.227623 0.250945 -0.483563 C 3.041997 -1.594367 -2.016652 C 3.785874 -0.540734 -1.487486 C -1.135036 -2.664925 -0.396718 C -2.433684 -2.813113 -0.889246 C -0.488063 -3.864339 -0.078344 C -3.030417 -4.057222 -1.119759 C -1.039685 -5.126553 -0.289050 C -2.328196 -5.222512 -0.818134 C -1.128788 0.105268 -0.650885 C -1.319052 0.153228 -2.038054 C -1.428876 1.292985 0.021699 C -1.809521 1.265032 -2.718902 C -1.925644 2.433942 -0.619183 C -2.116236 2.421581 -1.998650 F -1.252938 1.407027 1.350156 F -2.205853 3.534908 0.081294 F -2.584086 3.499564 -2.625033 F -1.977818 1.240182 -4.042064 F -1.014168 -0.923221 -2.782162 F 1.434788 0.782857 0.905613 F 3.920579 1.268044 0.029924 F 5.014771 -0.293289 -1.934047 F 3.563241 -2.351267 -2.983297 F 1.105182 -2.858415 -2.127781 F -3.203595 -1.741971 -1.147206 F -4.271367 -4.135629 -1.603276 F -2.882357 -6.415109 -1.024314 F -0.361619 -6.233101 0.019537 F 0.743715 -3.830054 0.463516 60 TSCF3/py C -1.394508 -0.184497 1.059062 C -2.420961 -0.946626 0.484733 C -1.441500 -0.101814 2.456688 B -0.194993 0.495403 0.207710 C -3.434568 -1.555862 1.232524 C -2.426328 -0.696702 3.242057 F -2.488246 -1.143132 -0.838611 F -0.493525 0.581339 3.121444 C -0.352225 0.457153 -1.407521 C 0.342343 1.965339 0.640112 C -3.436666 -1.432140 2.620207 F -4.388853 -2.263847 0.627936 F -2.410380 -0.575175 4.569567 C -1.314179 1.311198 -1.955801 C 0.388135 -0.286416 -2.327988 C 1.584846 2.399604 0.162054 C -0.363280 2.902855 1.399966 F -4.388265 -2.011244 3.345684 C 0.189489 -0.183832 -3.710055 C -1.548068 1.439185 -3.323134 F -2.083614 2.043520 -1.129217 F 1.335504 -1.149299 -1.937064 C 2.149846 3.631023 0.490506 C 0.160762 4.151695 1.744717 F 2.308313 1.605205 -0.643382 F -1.601881 2.642559 1.837780 C -0.781192 0.681864 -4.210851 F 0.924414 -0.912524 -4.553455 F -2.485949 2.266857 -3.787099 C 1.429416 4.515234 1.292772 F 3.363320 3.967747 0.049571 F -0.545305 5.002392 2.491102 F -0.978779 0.783636 -5.524266 F 1.947815 5.695427 1.623097 C 2.923123 0.134365 2.085611 C 2.558621 0.956801 3.163521 C 4.056457 0.418503 1.307878 C 3.328873 2.081710 3.448684 H 1.683988 0.713703 3.763515 C 4.818037 1.547291 1.602468 H 4.324295 -0.231092 0.474091 C 4.451120 2.380857 2.665639 H 3.051718 2.730520 4.281636 H 5.692847 1.785327 0.994957 C 2.110096 -1.030864 1.747848 F 1.235529 -1.462245 2.597700 F 2.650266 -1.989831 1.070800 F 1.066828 -0.512362 0.508109 C 4.852113 -1.589141 4.277512 C 5.651703 -2.125098 5.291928 C 5.307258 -3.371869 5.821592 C 4.181295 -4.027862 5.315994 C 3.449086 -3.405480 4.299825 N 3.775502 -2.213441 3.789706 H 5.905994 -3.824626 6.615929 H 6.522017 -1.574681 5.655720 H 3.872619 -5.002848 5.699347 H 5.042774 3.272629 2.883988 H 2.559759 -3.889670 3.880009 H 5.088448 -0.612643 3.839552 15 1b F -0.552265 1.721248 3.014715 C -4.825660 -0.032888 1.162713 C -2.255050 0.289146 2.202303 C -2.857117 1.339130 1.497914 H -2.322442 2.281247 1.363330 C -0.846872 0.442021 2.714152 C -4.143732 1.175051 0.978636 H -4.616077 1.994076 0.431323 C -2.935137 -0.920520 2.390606 H -2.460804 -1.730332 2.948140 C -4.221529 -1.078906 1.869137 H -4.754665 -2.020822 2.017564 F 0.063180 0.041039 1.799379 H -5.832432 -0.158436 0.756784 F -0.627507 -0.291729 3.821898 41 TPPy C -1.327616 0.369530 0.058760 C -0.462929 1.427360 -0.257549 C 0.669508 1.188651 -1.054908 N 0.946616 -0.034666 -1.527877 C 0.143024 -1.066569 -1.234873 C -1.007925 -0.899538 -0.445619 H -0.675413 2.428650 0.115172 H -1.678369 -1.738732 -0.262970 H 1.768111 -1.535169 -3.331360 C 1.615165 2.283530 -1.421346 C 2.480711 2.120689 -2.519851 C 1.678669 3.488143 -0.695688 C 3.368016 3.132864 -2.889202 C 2.570378 4.499343 -1.062404 C 3.416817 4.328336 -2.162793 H 2.442598 1.186316 -3.081017 H 1.044246 3.638496 0.179805 H 4.025968 2.988372 -3.750122 H 2.607636 5.423571 -0.480171 H 4.113117 5.120306 -2.450042 C -2.544084 0.586922 0.884526 C -2.970972 -0.387441 1.806743 C -3.296887 1.770540 0.764313 C -4.112349 -0.183379 2.585819 C -4.440870 1.972094 1.540178 C -4.852455 0.996666 2.454878 H -2.390333 -1.304102 1.933012 H -2.998722 2.530976 0.038913 H -4.421495 -0.947763 3.303166 H -5.017229 2.893470 1.424771 H -5.746424 1.155453 3.063079 C 0.517171 -2.394990 -1.801693 C 1.384294 -2.464441 -2.908654 C 0.033417 -3.599213 -1.256374 C 1.744037 -3.695161 -3.460263 C 0.397222 -4.831300 -1.805692 C 1.251592 -4.885200 -2.911967 H -0.616933 -3.584452 -0.379673 H 2.412688 -3.726450 -4.324486 H 0.015812 -5.754362 -1.361774 H 1.534951 -5.849195 -3.342079 28 TMSNTf2 Si -1.970853 2.800557 0.874964 C -1.861855 0.941806 0.960958 H -2.195228 0.482067 0.018390 H -0.832503 0.609643 1.164331 H -2.512499 0.570877 1.769815 C -3.604884 3.432307 0.243865 H -4.414106 3.173106 0.946072 H -3.585555 4.527196 0.126324 H -3.833218 2.977613 -0.732955 C -1.285460 3.702924 2.348448 H -0.273795 3.343038 2.592418 H -1.240807 4.786751 2.158432 H -1.934903 3.533532 3.223161 S -0.463222 2.525954 -1.723311 S 1.244518 0.361056 -2.336819 O -1.624984 2.021862 -2.446576 O 0.826595 0.523621 -3.728918 F 0.693201 3.527494 -3.839036 F -1.064128 -0.826581 -1.818868 N 0.737336 1.588466 -1.352218 F 1.194488 4.563193 -2.001996 F 0.491331 -1.242633 -0.366196 F -0.753934 4.852947 -2.910346 F 0.558967 -2.175595 -2.323300 C 0.224893 3.990605 -2.692231 C 0.234019 -1.074447 -1.658792 O -0.800354 3.280398 -0.408896 O 2.627060 0.066153 -1.988787 28 TMSNTf2-II Si -2.010063 2.800124 0.856236 C -2.299025 0.959847 0.841378 H -2.785909 0.640349 -0.091863 H -1.354961 0.405075 0.947398 H -2.958903 0.696688 1.684625 C -3.531410 3.806827 0.477384 H -4.250096 3.726998 1.309633 H -3.276007 4.869615 0.342983 H -4.024793 3.444208 -0.437445 C -1.001635 3.418660 2.291205 H -0.062311 2.851157 2.383080 H -0.759952 4.486093 2.169704 H -1.572088 3.297881 3.227060 S -0.479662 2.380567 -1.794024 S 1.737115 2.702080 -3.495664 O -0.330303 0.945079 -1.600888 O 1.246594 1.530735 -4.221702 F -1.695737 2.138153 -4.109587 F 2.615376 1.218309 -1.489365 N 0.667108 3.272173 -2.371950 F -2.269738 3.910646 -2.999155 F 3.678356 3.091220 -1.738205 F -3.010923 1.966960 -2.387874 F 4.021497 1.458768 -3.124518 C -1.979658 2.624045 -2.915958 C 3.113952 2.074213 -2.376049 O -0.934838 3.167737 -0.540227 O 2.284423 3.853118 -4.198979 28 TMSNTf2-III S -1.342482 -0.253838 0.884132 S 1.027789 -0.714404 -0.716236 Si 0.137178 2.286582 -0.116601 F -2.465854 -2.257753 -0.471696 F -2.057326 -0.508398 -1.690578 F -3.694001 -0.487376 -0.274684 F 1.930456 -1.555304 1.632217 F 3.404465 -1.518607 0.042318 F 2.767738 0.333484 0.977611 O -0.939824 -1.376871 1.713102 O -2.060110 0.889073 1.439712 O 0.363103 -2.007753 -0.809991 O 1.661314 -0.095636 -1.869368 N -0.021728 0.394829 0.011872 C 1.668943 2.694165 -1.104184 C -1.412895 2.833791 -1.003453 C 0.332023 2.885529 1.642518 C -2.472345 -0.941154 -0.507563 C 2.382099 -0.882150 0.591085 H 1.583038 2.397128 -2.157289 H 1.774748 3.791653 -1.050303 H 2.576617 2.241622 -0.682160 H -2.317193 2.610924 -0.420639 H -1.367464 3.921382 -1.178442 H -1.485716 2.332269 -1.981637 H 0.506443 3.974310 1.635723 H -0.555114 2.670824 2.252553 H 1.208298 2.403283 2.104785 28 TMSNTf2-III S -1.342482 -0.253838 0.884132 S 1.027789 -0.714404 -0.716236 Si 0.137178 2.286582 -0.116601 F -2.465854 -2.257753 -0.471696 F -2.057326 -0.508398 -1.690578 F -3.694001 -0.487376 -0.274684 F 1.930456 -1.555304 1.632217 F 3.404465 -1.518607 0.042318 F 2.767738 0.333484 0.977611 O -0.939824 -1.376871 1.713102 O -2.060110 0.889073 1.439712 O 0.363103 -2.007753 -0.809991 O 1.661314 -0.095636 -1.869368 N -0.021728 0.394829 0.011872 C 1.668943 2.694165 -1.104184 C -1.412895 2.833791 -1.003453 C 0.332023 2.885529 1.642518 C -2.472345 -0.941154 -0.507563 C 2.382099 -0.882150 0.591085 H 1.583038 2.397128 -2.157289 H 1.774748 3.791653 -1.050303 H 2.576617 2.241622 -0.682160 H -2.317193 2.610924 -0.420639 H -1.367464 3.921382 -1.178442 H -1.485716 2.332269 -1.981637 H 0.506443 3.974310 1.635723 H -0.555114 2.670824 2.252553 H 1.208298 2.403283 2.104785 75 BCF-TPPy B -0.432778 -1.202695 -0.192750 C -1.628741 -1.442163 2.143704 C 0.595140 -0.716956 2.299149 C -1.823525 -1.193147 3.497471 C 0.402171 -0.440011 3.656578 C -0.819849 -0.640232 4.298945 H -2.789877 -1.462279 3.921380 H 1.257894 -0.063218 4.213676 N -0.438830 -1.159944 1.505954 C 1.045614 -0.884280 -0.874552 C 1.567621 0.417899 -0.823775 C 1.800477 -1.762537 -1.662817 C 2.762527 0.813524 -1.418882 C 2.994469 -1.404326 -2.296953 C 3.486198 -0.109166 -2.171079 C -0.997603 -2.701668 -0.595034 C -2.091946 -2.999824 -1.416766 C -0.378502 -3.831297 -0.048618 C -2.520786 -4.302268 -1.690413 C -0.765301 -5.145263 -0.292095 C -1.854646 -5.385890 -1.128164 C -1.350733 0.048648 -0.777013 C -1.440013 0.190699 -2.169352 C -1.908703 1.108518 -0.060930 C -2.085225 1.247672 -2.808623 C -2.569446 2.188258 -0.653416 C -2.659660 2.261171 -2.040750 F -1.846779 1.150863 1.285327 F -3.104933 3.150075 0.102577 F -3.283207 3.281998 -2.626660 F -2.146987 1.305193 -4.140638 F -0.879425 -0.728903 -2.973198 F 0.943686 1.369136 -0.105631 F 3.225351 2.053929 -1.256126 F 4.637842 0.238665 -2.740736 F 3.670126 -2.302881 -3.017260 F 1.434688 -3.038713 -1.857043 F -2.868345 -2.042330 -1.942779 F -3.600635 -4.508110 -2.447408 F -2.269202 -6.630389 -1.358219 F -0.122090 -6.165615 0.280576 F 0.659545 -3.679125 0.796754 C -2.814883 -2.092022 1.491652 C -2.992329 -3.472815 1.699761 C -3.834660 -1.361708 0.869029 C -4.121408 -4.122632 1.204492 H -2.222541 -4.039656 2.227488 C -4.967751 -2.016103 0.374857 H -3.750401 -0.282379 0.769198 C -5.106797 -3.397005 0.522945 H -4.228767 -5.200982 1.343194 H -5.743230 -1.436224 -0.130762 H -5.985072 -3.907959 0.121840 C 2.014921 -0.520600 1.867307 C 2.818543 -1.583501 1.425514 C 2.606365 0.739456 2.071719 C 4.169604 -1.372781 1.141318 H 2.385965 -2.570413 1.286353 C 3.954564 0.949178 1.778690 H 1.991877 1.570687 2.421652 C 4.740213 -0.106710 1.306822 H 4.778156 -2.206614 0.783646 H 4.388766 1.942540 1.911418 H 5.794233 0.055721 1.069419 C -1.030666 -0.326077 5.727755 C -2.300142 0.074075 6.189546 C 0.027639 -0.416672 6.653206 C -2.502560 0.380365 7.536046 H -3.129712 0.174625 5.486576 C -0.179961 -0.119195 8.000893 H 1.014579 -0.749383 6.325312 C -1.444267 0.282530 8.446185 H -3.490231 0.701275 7.875327 H 0.648561 -0.206190 8.707702 H -1.604547 0.518693 9.500928 75 BCF-TPPy’ C 0.183638 2.132304 -2.163499 C 1.233511 3.058745 -2.166900 C 2.149896 3.072815 -1.102254 N 2.081361 2.166627 -0.118697 C 1.106748 1.244675 -0.106003 C 0.110416 1.224006 -1.097979 H 1.324927 3.763533 -2.992419 H -0.691483 0.488573 -1.074404 H -0.262781 -1.152561 0.110636 C 3.253606 4.071965 -1.030074 C 4.366588 3.829384 -0.203102 C 3.217015 5.271159 -1.765948 C 5.414150 4.748203 -0.126916 C 4.263762 6.192994 -1.685814 C 5.368926 5.934584 -0.868366 H 4.403147 2.901076 0.365381 H 2.356179 5.506216 -2.394546 H 6.273733 4.536263 0.514307 H 4.211574 7.120860 -2.261028 H 6.188710 6.654882 -0.807214 C -0.815433 2.134663 -3.262776 C -2.192635 2.123177 -2.982583 C -0.395058 2.187623 -4.604209 C -3.127676 2.197078 -4.018181 C -1.331661 2.244698 -5.638674 C -2.700189 2.263659 -5.347900 H -2.531000 2.077036 -1.944749 H 0.672451 2.157517 -4.831535 H -4.194813 2.192207 -3.785352 H -0.991909 2.266003 -6.677063 H -3.431935 2.307994 -6.157211 C 1.170365 0.227590 0.983947 C 0.410938 -0.956901 0.943311 C 2.055619 0.414743 2.062482 C 0.537875 -1.923052 1.943235 C 2.176076 -0.547716 3.065333 C 1.419639 -1.723526 3.010179 H 2.653192 1.326008 2.094069 H -0.048946 -2.842720 1.880158 H 2.870711 -0.382151 3.892856 H 1.520880 -2.481932 3.790558 B 1.040542 -2.570534 -3.037926 C -0.200884 -1.952768 -3.804776 C -1.360837 -1.562332 -3.143462 C -0.197758 -1.831136 -5.192648 C -2.488370 -1.093079 -3.814083 C -1.294624 -1.343415 -5.902676 C -2.452271 -0.991047 -5.205450 C 1.174685 -4.128659 -2.977630 C 0.053639 -4.980865 -2.969611 C 2.428552 -4.770595 -2.984465 C 0.159810 -6.371292 -2.953255 C 2.570323 -6.156153 -2.986505 C 1.426515 -6.959466 -2.967922 C 2.106011 -1.628989 -2.393157 C 2.489463 -0.410333 -2.982549 C 2.750611 -1.957324 -1.187331 C 3.493131 0.397339 -2.453023 C 3.721110 -1.149636 -0.604411 C 4.100779 0.028308 -1.251259 F 2.418633 -3.073634 -0.535025 F 4.274326 -1.473179 0.559610 F 5.033674 0.799787 -0.715886 F 3.853531 1.525590 -3.058983 F 1.925140 -0.002501 -4.122833 F -1.181947 -4.479243 -2.939747 F -0.926551 -7.137066 -2.924389 F 1.544674 -8.277650 -2.961674 F 3.774166 -6.719558 -3.009913 F -3.585459 -0.746017 -3.145547 F 3.554303 -4.055033 -3.018464 F -1.428264 -1.670620 -1.803211 F 0.899331 -2.189344 -5.877004 F -1.252472 -1.212785 -7.227062 F -3.516428 -0.550172 -5.867994 75 BCF-TPPy’-II C -0.798677 1.681097 -1.278570 C -0.180401 2.926843 -1.108906 C 0.949524 3.031184 -0.280301 N 1.448668 1.964916 0.360682 C 0.872267 0.761886 0.222988 C -0.265222 0.587670 -0.583241 H -0.585361 3.806047 -1.609024 H -0.696827 -0.399188 -0.726257 H 3.353233 0.722592 1.250263 C 1.665150 4.322964 -0.090208 C 1.617815 5.341149 -1.059514 C 2.436074 4.532084 1.067990 C 2.312233 6.538365 -0.870148 C 3.124970 5.730582 1.259554 C 3.065434 6.739982 0.291343 H 1.064733 5.187709 -1.987447 H 2.484401 3.738800 1.815422 H 2.271920 7.314168 -1.638952 H 3.712528 5.878860 2.169328 H 3.607818 7.677321 0.439130 C -1.952904 1.510480 -2.196369 C -1.936081 2.102555 -3.472420 C -3.064980 0.734605 -1.824162 C -3.004506 1.919794 -4.353449 C -4.138404 0.564107 -2.701236 C -4.110373 1.153662 -3.969272 H -1.059839 2.673238 -3.786463 H -3.091725 0.267838 -0.836900 H -2.968439 2.369188 -5.348896 H -4.991357 -0.047813 -2.400008 H -4.941366 1.003016 -4.661961 C 1.544717 -0.389280 0.891510 C 2.863972 -0.244455 1.360103 C 0.921136 -1.643362 1.031027 C 3.548067 -1.322699 1.921779 C 1.603038 -2.720402 1.601874 C 2.921648 -2.567757 2.043862 H -0.104853 -1.791399 0.694948 H 4.579536 -1.191356 2.258221 H 1.099905 -3.685678 1.699645 H 3.456935 -3.414380 2.481088 B 1.639672 -1.952553 -3.487961 C 2.295039 -0.636602 -2.958852 C 3.378836 -0.647177 -2.058769 C 1.832635 0.639622 -3.334389 C 3.985685 0.513791 -1.590594 C 2.430042 1.819886 -2.899430 C 3.499635 1.755854 -2.005701 C 2.465988 -3.260616 -3.721279 C 3.804018 -3.230182 -4.158486 C 1.901912 -4.541259 -3.570214 C 4.538626 -4.382151 -4.429050 C 2.613922 -5.715194 -3.815011 C 3.937707 -5.631882 -4.252381 C 0.091562 -1.957235 -3.836638 C -0.355419 -1.677456 -5.125848 C -0.882447 -2.215932 -2.877799 C -1.710466 -1.627387 -5.454109 C -2.245965 -2.187379 -3.163014 C -2.658796 -1.890058 -4.462862 F -0.506694 -2.506135 -1.619350 F -3.147374 -2.420502 -2.211032 F -3.954640 -1.845820 -4.755015 F -2.106131 -1.329121 -6.689949 F 0.544363 -1.415429 -6.086000 F 4.421419 -2.064405 -4.361109 F 5.795762 -4.306476 -4.855201 F 4.624715 -6.736480 -4.497850 F 2.047440 -6.904996 -3.637926 F 4.991273 0.457743 -0.721828 F 0.646575 -4.683906 -3.142793 F 3.856926 -1.802998 -1.596453 F 0.805897 0.774323 -4.175994 F 1.964612 3.002303 -3.300305 F 4.047168 2.867173 -1.545461 75 BCF-TPPy’-III C -1.147470 2.773145 -2.226731 C 0.183277 2.893568 -2.651133 C 1.196568 2.189028 -1.980949 N 0.939627 1.408922 -0.919767 C -0.329733 1.265289 -0.506636 C -1.396816 1.928505 -1.135581 H 0.437459 3.558145 -3.476643 H -2.415459 1.786001 -0.773664 H -2.433519 -0.447718 -0.094519 C 2.612658 2.286527 -2.429808 C 3.658782 2.270856 -1.491452 C 2.931962 2.378923 -3.796576 C 4.988768 2.363449 -1.907277 C 4.263412 2.453955 -4.212676 C 5.296494 2.450032 -3.269479 H 3.416914 2.178355 -0.431082 H 2.134972 2.345663 -4.541591 H 5.789753 2.342721 -1.165465 H 4.494738 2.504617 -5.279585 H 6.338562 2.503901 -3.593880 C -2.243703 3.507782 -2.906423 C -3.304329 4.064515 -2.168737 C -2.245088 3.656437 -4.306073 C -4.334049 4.756611 -2.811307 C -3.277184 4.344009 -4.947658 C -4.324223 4.898874 -4.202979 H -3.311783 3.974985 -1.079930 H -1.451362 3.195519 -4.896483 H -5.144748 5.191310 -2.221171 H -3.268174 4.440039 -6.036330 H -5.130602 5.438541 -4.705885 C -0.569261 0.368027 0.655943 C -1.711796 -0.448114 0.723749 C 0.368036 0.309938 1.700740 C -1.909847 -1.303265 1.811669 C 0.166337 -0.537797 2.789782 C -0.973815 -1.348370 2.850019 H 1.266874 0.922535 1.637570 H -2.794687 -1.944187 1.841506 H 0.906980 -0.572469 3.592968 H -1.128592 -2.017687 3.700234 B 2.051207 -2.695937 -2.738417 C 3.146586 -1.938449 -1.903863 C 4.432147 -1.689155 -2.389901 C 2.827097 -1.422686 -0.645268 C 5.364629 -0.946016 -1.670879 C 3.744392 -0.700560 0.115683 C 5.014969 -0.462702 -0.407807 C 0.754603 -1.851565 -3.054145 C 0.849704 -0.764426 -3.921481 C -0.493074 -2.105414 -2.486812 C -0.244358 0.038906 -4.237265 C -1.606255 -1.314585 -2.766352 C -1.476759 -0.233891 -3.642077 C 2.231232 -4.148949 -3.250918 C 3.264312 -4.991806 -2.783534 C 1.368787 -4.718511 -4.214273 C 3.434770 -6.299355 -3.232075 C 1.518888 -6.019844 -4.688780 C 2.556377 -6.812769 -4.190751 F 0.365682 -4.013438 -4.733072 F 0.690529 -6.512763 -5.603302 F 2.708137 -8.050715 -4.627712 F 4.415619 -7.060956 -2.759616 F 4.125638 -4.566952 -1.862042 F 2.028931 -0.488784 -4.497955 F -0.116766 1.069909 -5.076484 F -2.528284 0.534095 -3.901998 F -2.783961 -1.554763 -2.187989 F 6.563541 -0.665523 -2.177309 F -0.638055 -3.130007 -1.638586 F 4.783841 -2.155235 -3.594798 F 1.617110 -1.664362 -0.133226 F 3.423526 -0.205666 1.310195 F 5.883930 0.270854 0.281602 75 BCF-TPPy’-IV C -0.913671 1.821893 -2.001068 C 0.487737 1.871222 -2.065545 C 1.228501 1.959878 -0.875600 N 0.643860 1.985999 0.327655 C -0.694090 1.952560 0.419582 C -1.501410 1.888091 -0.728080 H 1.006016 1.815481 -3.021938 H -2.584765 1.845540 -0.632352 H -3.245142 1.250153 1.244655 C 2.717074 1.992893 -0.891856 C 3.422899 2.753949 -1.837814 C 3.437670 1.256135 0.065491 C 4.820300 2.784134 -1.823218 C 4.833355 1.269652 0.064200 C 5.529387 2.037398 -0.877668 H 2.876728 3.336417 -2.583231 H 2.886204 0.656351 0.791042 H 5.356653 3.375765 -2.568013 H 5.382501 0.675742 0.799233 H 6.621860 2.042990 -0.883453 C -1.749214 1.643933 -3.217388 C -1.275030 0.889062 -4.306846 C -3.047319 2.183455 -3.294646 C -2.078360 0.662297 -5.425779 C -3.846183 1.967430 -4.419467 C -3.367800 1.200055 -5.487309 H -0.277731 0.452422 -4.272191 H -3.431943 2.794445 -2.475271 H -1.695496 0.053863 -6.248603 H -4.848093 2.401766 -4.462162 H -3.997296 1.023219 -6.362892 C -1.270727 1.972343 1.794231 C -2.602066 1.597100 2.054143 C -0.464455 2.366750 2.878924 C -3.112200 1.624992 3.354093 C -0.975363 2.398000 4.177246 C -2.303078 2.028529 4.421539 H 0.570409 2.648589 2.681425 H -4.146825 1.322201 3.534185 H -0.333633 2.713039 5.004225 H -2.703719 2.050594 5.438209 B 1.918988 -2.402468 -3.452075 C 0.801119 -1.991966 -2.435179 C 1.109713 -1.620397 -1.117525 C -0.555828 -1.957355 -2.789119 C 0.130765 -1.279917 -0.184752 C -1.555649 -1.579131 -1.898858 C -1.206461 -1.258475 -0.584097 C 3.226057 -1.517240 -3.500450 C 4.452652 -1.972641 -3.021109 C 3.198211 -0.235490 -4.043447 C 5.604769 -1.186923 -3.056918 C 4.331276 0.569135 -4.130637 C 5.538688 0.090213 -3.619495 C 1.767482 -3.619962 -4.412269 C 0.922231 -4.711611 -4.124521 C 2.488759 -3.708177 -5.621159 C 0.796581 -5.813736 -4.966395 C 2.373373 -4.789732 -6.493171 C 1.526393 -5.849074 -6.158428 F 3.303972 -2.724603 -6.000884 F 3.058131 -4.823820 -7.631750 F 1.412746 -6.886303 -6.970964 F -0.001156 -6.828343 -4.649583 F 0.214426 -4.741125 -2.995403 F 4.533660 -3.199264 -2.486231 F 6.755382 -1.632804 -2.557949 F 6.622914 0.857575 -3.651392 F 4.266208 1.785498 -4.666660 F 0.458127 -0.959142 1.063340 F 2.042437 0.249396 -4.535576 F 2.377729 -1.630115 -0.695972 F -0.923936 -2.262849 -4.037469 F -2.824828 -1.495706 -2.285115 F -2.151572 -0.918183 0.281322 75 BCF-TPPy’-V C -0.453111 2.155370 -1.570466 C 0.104608 3.211563 -2.307455 C 1.442539 3.584427 -2.096938 N 2.212250 2.971188 -1.185905 C 1.694498 1.979700 -0.448988 C 0.369595 1.547092 -0.611014 H -0.503051 3.757194 -3.028458 H 0.001818 0.706956 -0.029841 H 4.306427 1.468450 -0.798378 C 2.074152 4.678700 -2.883664 C 1.660172 4.971504 -4.195790 C 3.123265 5.429464 -2.323412 C 2.268529 5.998854 -4.921013 C 3.726397 6.460336 -3.046548 C 3.299632 6.751191 -4.347666 H 0.886513 4.365697 -4.670280 H 3.455918 5.191691 -1.311618 H 1.942145 6.205843 -5.943422 H 4.534210 7.040530 -2.592917 H 3.773745 7.556094 -4.915151 C -1.832365 1.666046 -1.824683 C -2.398501 1.759830 -3.110321 C -2.591032 1.060356 -0.804758 C -3.673847 1.255364 -3.371743 C -3.870179 0.565610 -1.063510 C -4.416589 0.658144 -2.348506 H -1.823547 2.193934 -3.929482 H -2.182542 0.975302 0.203516 H -4.081491 1.319127 -4.383331 H -4.442770 0.102083 -0.256297 H -5.414864 0.262649 -2.551636 C 2.607294 1.306418 0.515312 C 3.957681 1.112700 0.172171 C 2.152227 0.841993 1.761071 C 4.823774 0.451586 1.044618 C 3.025332 0.196938 2.642209 C 4.360529 -0.009720 2.282925 H 1.110270 0.995243 2.053025 H 5.865668 0.290949 0.755995 H 2.653995 -0.162398 3.604090 H 5.036746 -0.531574 2.964250 B 1.561405 -2.654364 -2.376691 C 1.213311 -1.378116 -3.246053 C 2.079339 -0.287040 -3.275334 C 0.047031 -1.286180 -4.001156 C 1.822215 0.850679 -4.038509 C -0.268022 -0.149645 -4.745718 C 0.626915 0.921857 -4.756357 C 2.128073 -3.936919 -3.050570 C 2.036744 -5.209949 -2.448814 C 2.747931 -3.904005 -4.317864 C 2.523904 -6.367740 -3.049504 C 3.258129 -5.042625 -4.939613 C 3.139920 -6.279874 -4.301632 C 1.336431 -2.536640 -0.830243 C 2.297168 -2.957194 0.101898 C 0.188604 -1.927049 -0.305489 C 2.140977 -2.777958 1.474072 C -0.006424 -1.744394 1.061447 C 0.976510 -2.173281 1.953115 F -0.777536 -1.493061 -1.120751 F -1.086395 -1.106503 1.514818 F 0.826317 -1.964112 3.253535 F 3.095566 -3.137338 2.326453 F 3.429160 -3.525379 -0.321219 F 1.444058 -5.358961 -1.264635 F 2.406371 -7.549012 -2.452231 F 3.611774 -7.370023 -4.882204 F 3.849981 -4.963822 -6.126803 F 2.685972 1.861301 -4.076503 F 2.899388 -2.753897 -4.972588 F 3.218709 -0.336672 -2.567506 F -0.819219 -2.308396 -4.000278 F -1.409984 -0.067324 -5.425316 F 0.320439 2.027913 -5.435644 75 BCF-TPPy’-VI C 0.254855 2.537646 -2.246022 C 1.394623 3.331581 -2.069573 C 2.245631 3.089708 -0.978216 N 1.958360 2.156227 -0.060307 C 0.848597 1.413754 -0.179763 C -0.015985 1.558547 -1.278368 H 1.632934 4.106382 -2.797915 H -0.894264 0.923563 -1.378362 H -1.557689 0.367853 0.679163 C 3.516366 3.842778 -0.795505 C 4.200873 4.405984 -1.887392 C 4.074321 3.974532 0.489186 C 5.402155 5.093661 -1.697753 C 5.271125 4.666664 0.679142 C 5.940160 5.230756 -0.413763 H 3.814319 4.277673 -2.899918 H 3.552514 3.524176 1.334869 H 5.925340 5.516129 -2.559397 H 5.686028 4.766423 1.685557 H 6.879577 5.769540 -0.265841 C -0.629115 2.718941 -3.426167 C -1.055761 1.605942 -4.171451 C -1.049075 4.000116 -3.825183 C -1.896365 1.764788 -5.275916 C -1.891004 4.159491 -4.929266 C -2.320162 3.042924 -5.655352 H -0.696038 0.614833 -3.897555 H -0.731009 4.874503 -3.252119 H -2.220176 0.890125 -5.844311 H -2.218983 5.160681 -5.219810 H -2.980144 3.168290 -6.517180 C 0.602948 0.402109 0.884942 C -0.692347 -0.041936 1.202929 C 1.693031 -0.139531 1.590762 C -0.889693 -1.013640 2.186457 C 1.497029 -1.121521 2.562717 C 0.203438 -1.562764 2.865248 H 2.698015 0.209360 1.355147 H -1.904067 -1.345821 2.421538 H 2.359146 -1.546519 3.083004 H 0.047801 -2.330043 3.627958 B 1.095217 -2.824646 -3.175546 C 1.501848 -4.287626 -3.504863 C 0.543137 -5.307964 -3.687770 C 2.849229 -4.686178 -3.644141 C 0.886511 -6.626741 -3.977495 C 3.224487 -5.993678 -3.944143 C 2.235469 -6.967727 -4.108461 C -0.371256 -2.296642 -3.408418 C -0.990433 -2.266713 -4.659549 C -1.088098 -1.759494 -2.338149 C -2.252127 -1.704149 -4.848248 C -2.355669 -1.198690 -2.485061 C -2.935006 -1.163110 -3.754648 C 2.114296 -1.780642 -2.585580 C 2.320449 -0.545609 -3.209919 C 2.839032 -2.018091 -1.413433 C 3.234887 0.393370 -2.733792 C 3.727569 -1.086144 -0.883748 C 3.927823 0.125117 -1.551742 F 2.672304 -3.171201 -0.756942 F 4.369871 -1.322153 0.258847 F 4.774044 1.016782 -1.058125 F 3.439452 1.537682 -3.383168 F 1.654994 -0.250420 -4.335905 F -0.352631 -2.763359 -5.724199 F -2.792293 -1.624166 -6.063758 F -4.115909 -0.587839 -3.934545 F -2.981183 -0.648892 -1.444257 F -0.049014 -7.557982 -4.129395 F -0.546812 -1.776669 -1.115052 F -0.757924 -5.049171 -3.565370 F 3.837392 -3.802755 -3.513889 F 4.504825 -6.322866 -4.077399 F 2.577017 -8.213540 -4.388556 49 TSCF3 F 0.321833 16.611948 5.562427 C 0.569988 17.489751 0.668990 C 0.512635 17.629564 3.440731 C 0.403945 16.374744 2.808736 C 0.513079 17.693408 4.887465 C 0.425410 16.314830 1.419250 C 0.630417 18.815792 2.690532 H 0.714240 19.775317 3.199288 C 0.668192 18.735614 1.302173 H 0.781466 19.644928 0.709698 F 2.209253 17.949576 5.403503 B 3.667046 17.987096 4.781436 C 3.628431 16.853130 3.619084 C 3.720751 17.096185 2.246123 C 3.413247 15.514582 3.970193 C 3.637964 16.085802 1.283717 C 3.322653 14.476106 3.044983 C 3.434973 14.768015 1.684572 C 3.992025 19.508000 4.302825 C 3.186194 20.635208 4.451706 C 5.264493 19.752521 3.774934 C 3.592704 21.920519 4.076486 C 5.714905 21.012558 3.388698 C 4.866716 22.111626 3.545949 C 4.606974 17.667836 6.074445 C 4.412447 18.391074 7.257721 C 5.686186 16.779250 6.087014 C 5.199999 18.225447 8.398440 C 6.503547 16.588308 7.204402 C 6.257089 17.315153 8.368879 F 3.269313 15.179658 5.261840 F 3.104294 13.221681 3.440953 F 3.308942 13.802194 0.778245 F 3.680468 16.386437 -0.015321 F 3.850952 18.340746 1.763935 F 1.942686 20.543089 4.958210 F 2.771564 22.961308 4.228541 F 5.271231 23.328238 3.186089 F 6.936078 21.180697 2.879768 F 6.109008 18.720307 3.604766 F 3.436839 19.309461 7.332666 F 5.999320 16.058032 5.000869 F 7.518182 15.722481 7.165236 F 7.025459 17.143966 9.442482 F 4.963032 18.935306 9.503198 H 0.350089 15.348895 0.916772 H 0.308255 15.465579 3.403011 H 0.612209 17.431713 -0.420709 F 0.044100 18.731856 5.483543 49 TSCF3-II F -1.250134 2.917828 -7.034873 C -5.924744 3.744911 -5.468769 C -3.603929 3.070184 -6.832078 C -4.835504 2.520811 -7.244209 C -2.407488 2.727796 -7.559797 C -5.992827 2.860018 -6.552935 C -3.530077 3.952115 -5.733998 H -2.571589 4.370646 -5.431870 C -4.698366 4.286103 -5.058216 H -4.658137 4.974158 -4.212074 F -2.261460 3.970561 -8.895025 B 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23.021850 C 21.480066 -23.914183 21.177725 C 21.981780 -21.846012 24.309866 C 20.291467 -23.886915 23.401771 H 19.635069 -24.680274 23.048447 C 20.145530 -23.379055 24.695965 H 19.375745 -23.788816 25.351384 F 22.774185 -24.194169 20.912117 B 21.570504 -27.735718 21.883272 C 20.341373 -28.187050 21.012559 C 19.056900 -27.648960 21.190735 C 20.463257 -29.146421 19.994670 C 17.961529 -28.032666 20.421550 C 19.387754 -29.560716 19.209035 C 18.128878 -28.995179 19.422906 C 21.380839 -27.393719 23.404706 C 20.413640 -28.023923 24.209385 C 22.135799 -26.391982 24.039233 C 20.195195 -27.681050 25.542232 C 21.931211 -26.008027 25.361847 C 20.943485 -26.647269 26.111109 C 22.988041 -27.615348 21.217513 C 24.164640 -27.963212 21.900273 C 23.159611 -27.131976 19.910068 C 25.433065 -27.840087 21.337035 C 24.413111 -26.975781 19.321034 C 25.555044 -27.337879 20.038917 F 21.642273 -29.726816 19.752363 F 19.548638 -30.483305 18.264120 F 17.095385 -29.372517 18.684728 F 16.756804 -27.499593 20.628592 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-8.948721 C 3.658355 -18.633223 -10.318910 C 4.863395 -19.321506 -10.168034 C 1.504095 -17.463450 -6.569050 C 0.317688 -16.863672 -6.994419 C 2.395874 -16.609685 -5.913545 C 0.012746 -15.518007 -6.772962 C 2.133610 -15.259751 -5.665110 C 0.929609 -14.708595 -6.102502 F -0.613718 -17.574854 -7.652227 F -1.143676 -14.997778 -7.198271 F 0.657380 -13.420600 -5.881590 F 3.023705 -14.492581 -5.026023 F 3.589667 -17.063314 -5.482891 F 1.607134 -17.936379 -9.463252 F 3.364802 -18.055149 -11.488027 F 5.725742 -19.402751 -11.183542 F 6.286827 -20.619574 -8.798323 F 4.590332 -20.480985 -6.767973 F 1.363084 -21.151479 -8.978274 F -0.604155 -22.931276 -8.914074 F -2.418538 -22.936435 -6.875961 F -2.253080 -21.035975 -4.912918 F -0.318303 -19.191372 -4.984943 F 2.517075 -19.492166 -5.550012 F 0.572184 -21.551550 -3.740823 13 THT S -0.243791 0.963457 3.961237 C -1.793762 1.686625 4.679784 C 0.857109 1.802568 5.196491 C -0.005586 2.866948 5.882267 C -1.402800 2.260009 6.045709 H -2.165208 2.475919 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7.751603 -20.821872 11.833712 C 9.889759 -21.140747 10.771390 C 8.818899 -21.655550 11.506453 F 6.689941 -18.756752 11.769418 F 6.724558 -21.300417 12.538403 F 8.822677 -22.928986 11.895308 F 10.918683 -21.926814 10.452761 F 10.906330 -19.346321 9.673759 F 9.445006 -14.769008 9.112188 F 11.354994 -13.089615 9.953614 F 13.057251 -13.838984 11.955566 F 12.802490 -16.306352 13.091870 F 10.928555 -17.990228 12.272288 F 10.938219 -16.896669 7.891422 F 10.510096 -17.222519 5.280646 F 8.082668 -18.071906 4.366603 F 6.074780 -18.602045 6.142202 F 6.486913 -18.303689 8.773096 S 5.504366 -13.460523 13.989277 C 6.044590 -14.421448 15.477418 C 3.886815 -14.359524 13.848482 C 3.729920 -15.165583 15.142989 C 5.129301 -15.646469 15.539598 H 7.106751 -14.681490 15.368258 H 5.931643 -13.789712 16.371811 H 3.079427 -13.628603 13.698914 H 3.928029 -15.017235 12.967479 H 3.322858 -14.518271 15.937815 H 3.026052 -16.001470 15.002072 H 5.146674 -16.103389 16.542095 H 5.478198 -16.407712 14.822160 F 5.906998 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-8.087233 0.678864 -0.181102 F -6.772584 -6.184955 1.847821 F -8.395010 -8.243961 1.297916 F -10.338191 -7.991841 -0.607103 F -10.624408 -5.627749 -1.942042 F -9.042671 -3.555580 -1.386793 F -6.059819 -3.885778 -1.890302 F -3.661175 -4.718865 -2.798702 F -1.640328 -5.246327 -1.030788 F -2.066731 -4.924418 1.644692 F -4.423578 -4.101208 2.562170 F -9.564837 -2.394112 0.979766 F -5.092043 -1.315875 -0.228607 F -5.854975 1.162921 -0.773856 F -8.454496 1.929579 -0.445066 F -10.296342 0.115480 0.444710 H -10.958764 -7.842772 3.456546 H -7.152731 -3.394025 4.414568 49 2b...BCF H 5.127936 -11.685241 4.984461 F 4.054850 -12.952933 3.853250 C 1.746958 -12.895881 8.243482 C 3.607224 -12.724608 6.162204 C 3.604936 -11.762857 7.179074 H 4.333918 -10.950728 7.164089 C 4.621279 -12.659037 5.055852 C 2.676216 -11.851878 8.221399 H 2.684227 -11.107681 9.021178 C 2.676905 -13.774287 6.186363 H 2.684977 -14.521472 5.390297 C 1.746812 -13.855113 7.222958 H 1.026996 -14.676160 7.244894 F 5.603466 -13.619029 5.246301 B 7.574652 -14.177469 7.011634 C 6.502416 -14.064014 8.151674 C 6.610952 -13.140147 9.205914 C 5.345584 -14.865576 8.168682 C 5.643949 -13.001800 10.200439 C 4.370810 -14.770055 9.157548 C 4.511779 -13.816785 10.166387 C 7.824500 -15.553936 6.291801 C 7.813031 -16.773459 6.984788 C 8.077616 -15.633667 4.913664 C 8.032882 -18.000900 6.362166 C 8.283625 -16.844125 4.252814 C 8.265539 -18.033452 4.985085 C 8.455288 -12.940381 6.591386 C 7.944449 -11.636710 6.513281 C 9.805169 -13.082020 6.231246 C 8.695573 -10.544131 6.087691 C 10.598229 -12.010435 5.820129 C 10.036174 -10.734549 5.742883 F 5.119205 -15.757115 7.202014 F 3.294546 -15.551419 9.133496 F 3.564323 -13.679620 11.082762 F 5.782342 -12.097073 11.167198 F 7.681251 -12.345833 9.304023 F 7.598243 -16.794473 8.304803 F 8.023544 -19.133959 7.060804 F 8.470428 -19.192499 4.373810 F 8.504604 -16.876919 2.940588 F 8.118225 -14.525812 4.168374 F 6.666702 -11.391839 6.837139 F 10.398298 -14.278519 6.287703 F 11.876846 -12.192183 5.500964 F 10.772268 -9.706382 5.345657 F 8.153811 -9.331379 6.010450 H 1.029002 -12.970847 9.063453 49 [2b]+...[BCFF]- H 4.797598 -11.904941 4.647144 F 3.720070 -13.457764 3.974786 C 2.033083 -12.628227 8.572924 C 3.350902 -12.655174 6.131761 C 3.744149 -11.723890 7.134423 H 4.574349 -11.042910 6.943006 C 4.044609 -12.646830 4.917074 C 3.079505 -11.718809 8.350659 H 3.375135 -11.022421 9.136656 C 2.296251 -13.581130 6.371206 H 2.020614 -14.299074 5.597900 C 1.639400 -13.553848 7.588492 H 0.831571 -14.257047 7.794243 F 5.979092 -13.749613 5.307010 B 6.982349 -14.022374 6.347979 C 6.176561 -14.036949 7.784247 C 6.512616 -13.308763 8.927415 C 5.038432 -14.839929 7.909818 C 5.772985 -13.359138 10.114948 C 4.277184 -14.928646 9.072597 C 4.643757 -14.171404 10.185692 C 7.617279 -15.486446 5.949920 C 7.794639 -16.570023 6.811600 C 8.041891 -15.697935 4.634606 C 8.324176 -17.797239 6.402845 C 8.575384 -16.906091 4.180462 C 8.717140 -17.966613 5.075689 C 8.126777 -12.842219 6.269238 C 7.818374 -11.524656 5.930721 C 9.473561 -13.064907 6.570469 C 8.759616 -10.496919 5.848108 C 10.454677 -12.072677 6.504156 C 10.095274 -10.776608 6.134492 F 4.624641 -15.584102 6.868271 F 3.180562 -15.691237 9.120926 F 3.904348 -14.208667 11.293935 F 6.130264 -12.625405 11.171688 F 7.589947 -12.506844 8.950977 F 7.474231 -16.476805 8.114555 F 8.466371 -18.803468 7.270678 F 9.225969 -19.129455 4.667063 F 8.960646 -17.052566 2.909288 F 7.964525 -14.705514 3.731559 F 6.536760 -11.152816 5.689422 F 9.891029 -14.275623 6.978710 F 11.726993 -12.348929 6.798865 F 11.015218 -9.814923 6.065615 F 8.394381 -9.256949 5.512885 H 1.523668 -12.629871 9.539528 90 TSCHF2/TPPy F -5.204030 -2.076230 -4.861570 C -9.886684 -2.045005 -3.198020 C -7.217494 -1.534924 -3.795653 C -7.744348 -2.824768 -4.005603 C -5.820166 -1.264435 -4.054916 C -9.080825 -3.072488 -3.709643 C -8.034010 -0.501118 -3.306466 H -7.625231 0.499359 -3.176159 C -9.365516 -0.761740 -2.997537 H -9.995348 0.034538 -2.597921 F -5.016531 -1.723922 -2.556178 B -4.410166 -0.827135 -1.398092 C -5.566566 0.283912 -1.114685 C -5.467762 1.648425 -1.405468 C -6.803565 -0.115326 -0.590818 C -6.500015 2.562375 -1.166269 C -7.859649 0.759158 -0.343355 C -7.710135 2.115284 -0.641816 C -2.957224 -0.264939 -1.869970 C -2.258789 0.545629 -0.968529 C -2.260004 -0.603377 -3.029189 C -0.969484 1.022790 -1.191773 C -0.954236 -0.171082 -3.281511 C -0.311492 0.660068 -2.368982 C -4.145423 -1.912884 -0.211415 C -3.478140 -3.107519 -0.510051 C -4.439588 -1.715122 1.141124 C -3.158035 -4.070103 0.449116 C -4.131149 -2.649378 2.133611 C -3.487353 -3.836199 1.784613 F -7.033264 -1.410902 -0.338026 F -9.030219 0.305047 0.107603 F -8.709864 2.963364 -0.432765 F -6.341960 3.852223 -1.474989 F -4.360462 2.166366 -1.953333 F -2.854331 0.903463 0.183264 F -0.364040 1.813562 -0.303716 F 0.914130 1.115725 -2.624990 F -0.331364 -0.515691 -4.411819 F -2.821310 -1.361461 -3.982476 F -3.097592 -3.370048 -1.769562 F -5.040599 -0.591807 1.560299 F -4.441835 -2.413566 3.409765 F -3.187272 -4.737066 2.717791 F -2.530028 -5.196141 0.105361 H -7.103521 -3.616347 -4.396948 H -9.500085 -4.067036 -3.872792 H -10.933282 -2.246960 -2.958651 H -5.432626 -0.244247 -4.075765 C -8.175407 2.829735 -4.595578 C -8.737919 1.858085 -5.437481 C -7.901435 0.954403 -6.112623 N -6.567391 1.067231 -6.057888 C -5.996928 2.040236 -5.330100 C -6.774290 2.912614 -4.550155 H -9.819374 1.787776 -5.542589 H -6.297944 3.617814 -3.873458 H -4.326416 3.968988 -4.246526 C -8.439857 -0.215014 -6.861269 C -9.738190 -0.705450 -6.629486 C -7.621086 -0.895891 -7.782355 C -10.204688 -1.838487 -7.299780 C -8.088759 -2.025823 -8.454412 C -9.382908 -2.503324 -8.215461 H -10.385148 -0.225600 -5.894024 H -11.211704 -2.210318 -7.095182 H -9.747368 -3.391479 -8.737762 C -9.021986 3.689455 -3.729956 C -8.607274 4.981700 -3.356858 C -10.247663 3.211232 -3.227313 C -9.390524 5.766906 -2.509733 C -11.029255 3.995085 -2.377457 C -10.603155 5.276310 -2.014425 H -7.670215 5.384837 -3.745290 H -10.583033 2.203552 -3.479590 H -9.052143 6.769312 -2.236310 H -11.969332 3.597654 -1.987292 H -11.212379 5.889808 -1.346161 C -4.506330 2.098401 -5.341495 C -3.795577 3.152505 -4.736720 C -3.771821 1.073667 -5.969891 C -2.400353 3.172479 -4.746594 C -2.377630 1.095874 -5.981977 C -1.684624 2.142507 -5.365279 H -4.311237 0.249987 -6.437830 H -1.868976 3.994867 -4.261640 H -1.826965 0.276597 -6.447420 H -0.592245 2.142906 -5.349578 H -7.439620 -2.538318 -9.168988 H -6.611184 -0.524581 -7.960079 90 TSCHF2/TPPy-II F 3.378461 -13.360000 -1.467392 C 5.104921 -13.573569 3.183005 C 4.654028 -13.058226 0.483429 C 3.980082 -14.120845 1.111643 C 4.405934 -12.763469 -0.923034 C 4.209777 -14.373943 2.460938 C 5.539443 -12.244357 1.212037 H 6.035160 -11.407251 0.723344 C 5.764710 -12.507886 2.560537 H 6.449553 -11.877759 3.130245 F 5.630994 -13.483168 -1.853857 B 7.081419 -14.158668 -1.612440 C 6.777775 -15.246655 -0.451910 C 7.272792 -15.198488 0.854185 C 5.866107 -16.280155 -0.703426 C 6.905973 -16.113837 1.844324 C 5.472561 -17.213240 0.253758 C 5.998378 -17.125728 1.543672 C 8.153895 -12.986005 -1.273640 C 7.937387 -11.609861 -1.276201 C 9.478912 -13.377844 -1.055004 C 8.945805 -10.674030 -1.025283 C 10.519740 -12.484677 -0.810896 C 10.248246 -11.113901 -0.798148 C 7.414532 -14.729770 -3.096304 C 7.300949 -13.880560 -4.204214 C 7.910199 -16.008516 -3.367589 C 7.614885 -14.272479 -5.506572 C 8.243107 -16.438154 -4.654981 C 8.092480 -15.564286 -5.731614 F 5.305941 -16.395984 -1.916947 F 4.588289 -18.167051 -0.041192 F 5.608021 -17.979683 2.486582 F 7.369801 -15.985191 3.088603 F 8.105698 -14.224846 1.249106 F 6.712038 -11.099659 -1.498975 F 8.670571 -9.367279 -1.004525 F 11.223336 -10.238782 -0.563310 F 11.761550 -12.919118 -0.595080 F 9.779389 -14.687403 -1.056752 F 6.882461 -12.615892 -4.042973 F 8.100113 -16.897071 -2.382202 F 8.707413 -17.671637 -4.861819 F 8.404059 -15.958605 -6.964082 F 7.478234 -13.425497 -6.528204 C 3.502064 -9.710654 2.739290 C 4.046943 -9.137245 1.581305 C 3.637079 -9.596703 0.319679 N 2.720134 -10.567845 0.195451 C 2.169002 -11.124301 1.284926 C 2.533951 -10.711395 2.575799 H 4.804411 -8.359244 1.666489 H 2.059786 -11.150988 3.451848 H 1.288679 -13.047164 3.062312 C 4.238374 -9.082714 -0.944250 C 3.581678 -9.305821 -2.170846 C 5.480637 -8.422645 -0.962647 C 4.148190 -8.879638 -3.372828 C 6.048431 -8.000019 -2.165758 C 5.384904 -8.224089 -3.375415 H 2.621371 -9.822799 -2.166132 H 3.622414 -9.061207 -4.313643 H 5.833193 -7.898489 -4.317409 C 3.956916 -9.295423 4.090001 C 4.103988 -10.249219 5.115411 C 4.269395 -7.952242 4.371285 C 4.551798 -9.870732 6.383192 C 4.710561 -7.573721 5.641404 C 4.854782 -8.531418 6.651420 H 3.893002 -11.300758 4.909528 H 4.144319 -7.192985 3.595817 H 4.670132 -10.626728 7.163443 H 4.938092 -6.524346 5.844685 H 5.202841 -8.234883 7.643962 C 1.189958 -12.223309 1.053691 C 0.841140 -13.131863 2.071055 C 0.621246 -12.399220 -0.221590 C -0.048103 -14.179188 1.822174 C -0.269119 -13.444867 -0.470215 C -0.607816 -14.340830 0.550075 H 0.893985 -11.705747 -1.017316 H -0.297227 -14.878429 2.624241 H -0.700867 -13.562442 -1.467384 H -1.301606 -15.162280 0.354499 H 7.027992 -7.517708 -2.157121 H 6.043247 -8.276329 -0.039422 H 3.694906 -15.201414 2.952771 H 3.278714 -14.732078 0.543477 H 5.288757 -13.782978 4.239037 H 4.583813 -11.760967 -1.313197 90 TSCHF2/TPPy-III F -15.687335 -34.256448 2.278548 C -20.377977 -33.810663 0.600325 C -18.037396 -34.300339 2.023072 C -19.282979 -34.442845 2.661444 C -16.838600 -34.618227 2.780244 C -20.452281 -34.194295 1.946690 C -17.962930 -33.895931 0.680388 H -16.992609 -33.761767 0.206048 C -19.137074 -33.660609 -0.030206 H -19.081533 -33.353855 -1.076029 F -16.714704 -36.312338 2.672455 B -15.636338 -37.177269 1.839782 C -15.727948 -36.532149 0.352545 C -14.723333 -35.780246 -0.265411 C -16.928738 -36.615583 -0.363742 C -14.877325 -35.187324 -1.521478 C -17.132198 -36.020232 -1.607537 C -16.095910 -35.288507 -2.188090 C -14.207812 -37.073361 2.605588 C -13.127965 -37.768665 2.052818 C -13.948824 -36.442417 3.821209 C -11.861393 -37.818021 2.631358 C -12.694252 -36.461845 4.438807 C -11.643489 -37.156262 3.842736 C -16.207860 -38.686457 2.026401 C -16.530042 -39.149349 3.308204 C -16.323625 -39.629665 1.000924 C -16.978408 -40.445904 3.565858 C -16.761305 -40.939101 1.216769 C -17.092934 -41.348873 2.508102 F -17.978256 -37.258759 0.166803 F -18.321091 -36.082898 -2.209073 F -16.274889 -34.672416 -3.353336 F -13.882809 -34.478094 -2.061265 F -13.546683 -35.556663 0.335518 F -13.298802 -38.416552 0.887496 F -10.865317 -38.487208 2.049600 F -10.443718 -37.187650 4.418664 F -12.500223 -35.826444 5.599074 F -14.908946 -35.767209 4.474989 F -16.403145 -38.337189 4.368713 F -16.006402 -39.315563 -0.263043 F -16.859892 -41.799413 0.201915 F -17.512721 -42.592198 2.730438 F -17.282007 -40.831335 4.806497 H -19.327333 -34.746858 3.709926 H -21.423473 -34.300059 2.434197 H -21.296748 -33.622202 0.039821 H -16.859677 -34.595184 3.871885 C -18.681891 -29.503246 3.757518 C -18.344667 -30.380364 4.799502 C -17.420685 -31.413041 4.571931 N -16.843465 -31.591522 3.373626 C -17.151049 -30.767305 2.359085 C -18.062342 -29.711184 2.516465 H -18.761453 -30.229637 5.795089 H -18.289595 -29.056848 1.675067 H -18.156649 -30.304987 -0.155384 C -17.029707 -32.356389 5.657184 C -17.909686 -32.671045 6.710285 C -15.759143 -32.962239 5.640974 C -17.525962 -33.557710 7.719209 C -15.374764 -33.846147 6.651598 C -16.256181 -34.145447 7.695679 H -18.912839 -32.240061 6.732327 H -18.226348 -33.797688 8.523133 H -15.958185 -34.841276 8.483912 C -19.647413 -28.393376 3.964278 C -19.469326 -27.151866 3.324726 C -20.765075 -28.560642 4.804016 C -20.379075 -26.110256 3.520733 C -21.677174 -27.520305 4.995621 C -21.487160 -26.290731 4.355660 H -18.597070 -26.990425 2.687329 H -20.935842 -29.522265 5.293305 H -20.217802 -25.150569 3.023426 H -22.543841 -27.673043 5.643619 H -22.199686 -25.476161 4.507335 C -16.511382 -31.053850 1.045573 C -17.172063 -30.776491 -0.165301 C -15.261289 -31.696641 0.996841 C -16.617997 -31.167943 -1.386377 C -14.710553 -32.093893 -0.222002 C -15.392686 -31.841893 -1.418914 H -14.745848 -31.916810 1.931456 H -17.159926 -30.971760 -2.314767 H -13.759877 -32.631178 -0.240641 H -14.976952 -32.186728 -2.367668 H -14.391454 -34.317833 6.607965 H -15.076349 -32.736498 4.820417 90 TSCHF2/TPPy-IV H -3.067374 -40.842387 -14.891575 F -2.670995 -40.122879 -16.722397 C -1.182069 -44.855996 -16.943574 C -2.035443 -42.318585 -16.196054 C -1.656337 -43.245170 -15.206502 H -1.678580 -42.956222 -14.155738 C -2.465171 -40.999779 -15.786869 C -1.217807 -44.508926 -15.586861 H -0.914686 -45.231140 -14.827471 C -2.003022 -42.667718 -17.558980 H -2.304086 -41.940736 -18.312847 C -1.583242 -43.942777 -17.926623 H -1.554917 -44.223096 -18.980902 F -1.072512 -40.285112 -14.922486 B 0.395956 -39.681667 -15.074532 C 1.220119 -40.840442 -15.865969 C 2.250845 -41.617501 -15.328024 C 0.849026 -41.181042 -17.170899 C 2.842154 -42.684256 -16.014389 C 1.402133 -42.237546 -17.889317 C 2.409935 -43.001944 -17.300385 C 0.173502 -38.288584 -15.881508 C 1.018505 -37.824110 -16.891389 C -0.888873 -37.439687 -15.550854 C 0.815729 -36.617951 -17.565895 C -1.125505 -36.224072 -16.195465 C -0.268753 -35.813711 -17.217118 C 0.785577 -39.469710 -13.509625 C 0.519111 -40.468610 -12.565264 C 1.367448 -38.306677 -12.998855 C 0.774042 -40.327121 -11.202439 C 1.644926 -38.123890 -11.639821 C 1.340629 -39.139222 -10.735309 F -0.114940 -40.478460 -17.793187 F 0.970921 -42.531344 -19.117596 F 2.951411 -44.022725 -17.960798 F 3.814592 -43.399819 -15.446080 F 2.738782 -41.379566 -14.101799 F 2.100453 -38.530984 -17.256664 F 1.650545 -36.226352 -18.531187 F -0.478700 -34.657969 -17.845010 F -2.149570 -35.441848 -15.841623 F -1.725808 -37.762116 -14.552171 F 0.023478 -41.655086 -12.957986 F 1.707829 -37.291217 -13.808292 F 2.198337 -36.990030 -11.205107 F 1.596587 -38.983518 -9.437986 F 0.498238 -41.313508 -10.346383 C -6.585867 -42.006531 -18.403527 C -6.368841 -40.735059 -17.850404 C -5.697408 -40.617326 -16.623836 N -5.252122 -41.695321 -15.959666 C -5.454776 -42.924790 -16.458763 C -6.120194 -43.115779 -17.679748 H -6.716016 -39.842500 -18.370821 H -6.315499 -44.123581 -18.044821 H -5.000823 -42.957768 -13.803697 C -5.409886 -39.295121 -16.004372 C -5.298869 -39.188748 -14.605463 C -5.180387 -38.149730 -16.787728 C -4.964205 -37.972192 -14.008008 C -4.835484 -36.936721 -16.188833 C -4.725429 -36.843640 -14.797781 H -5.477089 -40.074271 -13.992633 H -5.225168 -38.215295 -17.876980 H -4.878908 -37.907542 -12.920389 H -4.623233 -36.064547 -16.810737 H -4.429675 -35.899837 -14.335567 C -7.291955 -42.175260 -19.699439 C -6.904277 -43.184194 -20.601815 C -8.360396 -41.330750 -20.056219 C -7.562570 -43.341679 -21.823523 C -9.021861 -41.492466 -21.275755 C -8.624774 -42.497334 -22.164601 H -6.063199 -43.836674 -20.356457 H -8.694225 -40.555652 -19.362747 H -7.240291 -44.124170 -22.515005 H -9.855760 -40.833563 -21.530153 H -9.141207 -42.621969 -23.119569 C -4.948403 -44.068662 -15.651527 C -4.764530 -43.918295 -14.263779 C -4.633584 -45.306920 -16.238586 C -4.291772 -44.976524 -13.486613 C -4.154840 -46.363958 -15.461446 C -3.984541 -46.204785 -14.082539 H -4.729196 -45.442538 -17.317417 H -4.160292 -44.841677 -12.410040 H -3.901512 -47.313661 -15.938910 H -3.608704 -47.032467 -13.475943 H -0.844712 -45.852727 -17.237202 90 TSCHF2/TPPy-V F -36.135563 -11.121383 -26.458011 C -35.720953 -16.077196 -26.846743 C -35.423382 -13.361176 -26.327931 C -34.640246 -14.296222 -25.624038 C -35.224396 -11.957999 -26.049077 C -34.792261 -15.653848 -25.887591 C -36.368124 -13.789608 -27.281716 H -36.977300 -13.058022 -27.806856 C -36.511078 -15.148619 -27.537983 H -37.245064 -15.488915 -28.270066 F -33.878512 -11.420574 -27.015630 B -33.646897 -11.121565 -28.565713 C -33.866691 -12.546173 -29.325494 C -34.503295 -12.721228 -30.557943 C -33.320575 -13.709221 -28.768918 C -34.681626 -13.973639 -31.151610 C -33.490122 -14.980005 -29.317519 C -34.179445 -15.112813 -30.522112 C -34.688817 -9.904110 -28.868553 C -34.315328 -8.556034 -28.778829 C -36.051809 -10.110041 -29.118011 C -35.210250 -7.492301 -28.943156 C -36.974875 -9.083644 -29.299018 C -36.553201 -7.759046 -29.198107 C -32.069409 -10.735620 -28.673635 C -31.131495 -10.692295 -27.640030 C -31.571578 -10.458156 -29.950154 C -29.781016 -10.397580 -27.860801 C -30.236885 -10.154899 -30.213117 C -29.330531 -10.126784 -29.151776 F -32.607225 -13.642442 -27.632668 F -33.004043 -16.060957 -28.703535 F -34.354005 -16.314559 -31.067609 F -35.319681 -14.088396 -32.317969 F -34.986396 -11.673358 -31.238104 F -33.051510 -8.203966 -28.504609 F -34.790859 -6.231254 -28.837091 F -37.430545 -6.766410 -29.325415 F -38.265529 -9.356460 -29.514572 F -36.559977 -11.354059 -29.161058 F -31.476260 -10.923513 -26.365410 F -32.415675 -10.466741 -30.997820 F -29.821908 -9.894065 -31.454217 F -28.047491 -9.842335 -29.371089 F -28.920052 -10.369118 -26.840484 C -39.170359 -13.973068 -25.510661 C -39.311657 -12.590446 -25.702179 C -38.534088 -11.703782 -24.941215 N -37.662334 -12.142834 -24.022458 C -37.518680 -13.460032 -23.806040 C -38.263600 -14.402921 -24.531398 H -40.030854 -12.204720 -26.424631 H -38.087252 -15.468405 -24.397065 H -35.666442 -11.872641 -22.675793 C -38.609664 -10.230659 -25.143645 C -38.870848 -9.679839 -26.411253 C -38.361605 -9.359891 -24.067420 C -38.887112 -8.294868 -26.596197 C -38.389658 -7.975823 -24.250266 C -38.651082 -7.438033 -25.515997 H -39.010782 -10.331353 -27.275982 H -38.145972 -9.784676 -23.085424 H -39.062432 -7.885900 -27.593044 H -38.202649 -7.312682 -23.401718 H -38.661175 -6.355146 -25.663245 C -39.903829 -14.950006 -26.353132 C -40.136754 -14.683013 -27.716009 C -40.349862 -16.175364 -25.823947 C -40.790344 -15.614953 -28.525298 C -41.009260 -17.104428 -26.632136 C -41.229596 -16.829179 -27.986118 H -39.778408 -13.748996 -28.154742 H -40.198005 -16.395113 -24.764776 H -40.951319 -15.394189 -29.583366 H -41.356606 -18.046552 -26.200841 H -41.741866 -17.558050 -28.618922 C -36.465291 -13.867300 -22.831225 C -35.551214 -12.908263 -22.353740 C -36.318363 -15.198204 -22.398194 C -34.514633 -13.270127 -21.491807 C -35.284020 -15.560214 -21.532258 C -34.373107 -14.599895 -21.079227 H -37.015659 -15.968527 -22.730562 H -33.812360 -12.509743 -21.140783 H -35.190108 -16.600010 -21.209330 H -33.560913 -14.885465 -20.406182 H -33.920006 -13.955364 -24.878405 H -34.187875 -16.384338 -25.347427 H -35.832895 -17.143329 -27.056817 H -34.727096 -11.649269 -25.125395 90 TSCHF2/TPPy-VI F -17.944119 17.605975 -38.311541 C -18.836970 13.054888 -40.144443 C -18.119690 15.279154 -38.640587 C -18.253532 14.026164 -38.013278 C -17.728982 16.409955 -37.828867 C -18.609738 12.914699 -38.770059 C -18.365158 15.422621 -40.019399 H -18.276887 16.399123 -40.490022 C -18.721969 14.305540 -40.766378 H -18.915983 14.410013 -41.835402 F -16.020803 16.418440 -37.711069 B -14.736942 16.621677 -38.669171 C -14.918321 15.544160 -39.874472 C -14.709497 15.790781 -41.234459 C -15.228387 14.217255 -39.551509 C -14.894015 14.818139 -42.220955 C -15.429502 13.218224 -40.502519 C -15.264665 13.524900 -41.852761 C -14.790464 18.207890 -39.020636 C -13.989506 19.161944 -38.378173 C -15.694841 18.737298 -39.952073 C -14.044733 20.531231 -38.660523 C -15.780770 20.092508 -40.264991 C -14.951355 21.001573 -39.607053 C -13.477125 16.143870 -37.758371 C -13.499572 15.684397 -36.440679 C -12.222964 16.141032 -38.376400 C -12.348524 15.241986 -35.778220 C -11.052195 15.715024 -37.752527 C -11.119521 15.256507 -36.435441 F -15.368884 13.855603 -38.265475 F -15.779949 11.983542 -40.137144 F -15.456670 12.590735 -42.781233 F -14.706231 15.112150 -43.508648 F -14.309210 16.994820 -41.663624 F -13.106864 18.810093 -37.433228 F -13.250005 21.387555 -38.018009 F -15.024709 22.299364 -39.884976 F -16.657065 20.539051 -41.170463 F -16.543717 17.926697 -40.604502 F -14.634176 15.646066 -35.727151 F -12.116282 16.591201 -39.640293 F -9.881732 15.741228 -38.392516 F -10.018199 14.839954 -35.812068 F -12.419375 14.807545 -34.517513 C -20.748401 19.040482 -37.371207 C -21.044703 17.751525 -36.898869 C -21.147739 16.683236 -37.805424 N -20.974977 16.865842 -39.122062 C -20.653623 18.076134 -39.594660 C -20.549833 19.194182 -38.750237 H -21.233439 17.593024 -35.837443 H -20.289620 20.169536 -39.160972 H -21.604653 16.495630 -41.573956 C -21.409793 15.285446 -37.359464 C -21.130671 14.862501 -36.046546 C -21.894017 14.337592 -38.279149 C -21.330698 13.533258 -35.665664 C -22.100583 13.011970 -37.897074 C -21.818055 12.602277 -36.588967 H -20.723385 15.565331 -35.316916 H -22.091263 14.656235 -39.303026 H -21.096528 13.222365 -34.644443 H -22.477250 12.290725 -38.626804 H -21.972549 11.562032 -36.291564 C -20.632770 20.194403 -36.443033 C -20.064513 20.034217 -35.164990 C -21.079161 21.474356 -36.822655 C -19.944708 21.120170 -34.294669 C -20.963921 22.558919 -35.949984 C -20.395334 22.386431 -34.683247 H -19.689084 19.055270 -34.858036 H -21.542141 21.618057 -37.801617 H -19.491232 20.977641 -33.310600 H -21.325355 23.542806 -36.259289 H -20.303138 23.235731 -34.001779 C -20.328208 18.152166 -41.045148 C -20.888572 17.228919 -41.947622 C -19.386529 19.077673 -41.525647 C -20.524116 17.241796 -43.294674 C -19.008127 19.079016 -42.870418 C -19.578613 18.164707 -43.761058 H -18.899204 19.771195 -40.840948 H -20.973061 16.522816 -43.984878 H -18.247401 19.784850 -43.211089 H -19.282089 18.163349 -44.813032 H -18.072323 13.929274 -36.941422 H -18.714152 11.939688 -38.292068 H -19.110371 12.179412 -40.738024 H -17.845856 16.358040 -36.742297 90 TSCHF2/TPPy/H-I F -4.753536 -0.015728 -6.907035 C -7.677459 -3.312084 -4.642899 C -6.004536 -1.189760 -5.312846 C -6.856300 -1.081689 -4.198609 C -5.127629 -0.084072 -5.652285 C -7.691743 -2.146655 -3.868371 C -6.004095 -2.355874 -6.102625 H -5.337927 -2.426881 -6.963257 C -6.838775 -3.414869 -5.761614 H -6.831782 -4.328974 -6.358126 F -3.568505 -0.436393 -5.014278 B -2.824113 -0.625955 -3.613869 C -3.733568 -1.715117 -2.813184 C -4.233519 -1.581497 -1.515297 C -4.042187 -2.924856 -3.447734 C -5.043550 -2.544936 -0.907202 C -4.849925 -3.909575 -2.881365 C -5.357640 -3.715061 -1.597328 C -2.740637 0.878031 -2.997054 C -3.906496 1.573275 -2.659186 C -1.557278 1.596387 -2.786941 C -3.933062 2.857941 -2.126457 C -1.532318 2.886780 -2.249071 C -2.726073 3.526437 -1.931591 C -1.398339 -1.299927 -4.009461 C -0.897730 -1.538770 -5.290256 C -0.583086 -1.725917 -2.956671 C 0.341728 -2.149166 -5.514282 C 0.655604 -2.338140 -3.133706 C 1.120395 -2.555643 -4.432417 F -3.578804 -3.171344 -4.684027 F -5.151537 -5.021147 -3.554973 F -6.141524 -4.635002 -1.040050 F -5.512421 -2.357238 0.327720 F -3.957375 -0.497752 -0.776084 F -5.107859 0.990228 -2.850626 F -5.088122 3.466650 -1.854683 F -2.714694 4.787650 -1.496909 F -0.377389 3.538376 -2.110913 F -0.359791 1.093079 -3.111531 F -1.579291 -1.190894 -6.392639 F -0.982707 -1.505477 -1.690610 F 1.395064 -2.712633 -2.087893 F 2.300519 -3.140137 -4.634264 F 0.779785 -2.350834 -6.759462 H -6.867381 -0.169170 -3.606302 H -8.355044 -2.068713 -3.004916 H -8.322046 -4.151301 -4.371493 H -5.223409 0.901178 -5.188415 C -5.704928 5.542158 -4.078721 C -6.726556 4.635875 -4.392792 C -6.406553 3.451116 -5.069730 N -5.148542 3.147738 -5.423604 C -4.148892 4.002771 -5.141548 C -4.402792 5.216826 -4.482765 H -7.757518 4.840210 -4.102426 H -3.594143 5.918924 -4.286534 H -3.429273 1.924608 -6.720148 C -7.457781 2.455423 -5.417357 C -8.495347 2.148408 -4.519778 C -7.409126 1.783296 -6.652550 C -9.455435 1.187088 -4.847778 C -8.372982 0.827521 -6.980972 C -9.397742 0.524332 -6.078494 H -8.532394 2.641262 -3.545523 H -10.244802 0.944765 -4.132119 H -10.144441 -0.232691 -6.329398 C -5.983847 6.789097 -3.324527 C -7.131635 7.557575 -3.591561 C -5.105096 7.213467 -2.310002 C -7.387743 8.726744 -2.871127 C -5.366591 8.379408 -1.586453 C -6.506259 9.141491 -1.866532 H -7.816850 7.249085 -4.384752 H -4.231672 6.605703 -2.066370 H -8.277579 9.319115 -3.098453 H -4.680348 8.689859 -0.794559 H -6.708610 10.054895 -1.301640 C -2.766416 3.579919 -5.507978 C -2.564882 2.445981 -6.316090 C -1.630214 4.246141 -5.008984 C -1.279727 1.976459 -6.590596 C -0.343615 3.782275 -5.288401 C -0.162506 2.639072 -6.072745 H -1.737173 5.108134 -4.349188 H -1.154914 1.072400 -7.188801 H 0.518783 4.301587 -4.864943 H 0.843458 2.261701 -6.271800 H -8.319038 0.311978 -7.942858 H -6.603414 2.016642 -7.350937 90 TSCHF2/TPPy/H-II F -5.295827 5.392868 -3.860401 C -9.946319 3.701836 -3.650283 C -7.196113 4.088318 -3.467401 C -7.846602 3.257155 -2.536050 C -5.760774 4.269620 -3.382785 C -9.223637 3.068877 -2.631929 C -7.928626 4.746132 -4.475569 H -7.410645 5.385770 -5.191127 C -9.301673 4.544867 -4.566435 H -9.873624 5.032156 -5.358054 F -5.038618 3.240266 -4.588510 B -4.841052 1.700115 -4.897647 C -6.344646 1.069171 -4.891629 C -6.760105 -0.077612 -4.209778 C -7.335040 1.694916 -5.658529 C -8.081521 -0.533638 -4.217999 C -8.666127 1.281185 -5.687714 C -9.042699 0.154173 -4.957959 C -3.812559 1.184199 -3.739536 C -2.483233 0.802027 -3.957405 C -4.212167 1.128552 -2.399698 C -1.631683 0.371846 -2.935276 C -3.410097 0.683089 -1.353485 C -2.093942 0.314007 -1.624600 C -4.245910 1.665548 -6.411197 C -4.018524 0.409428 -6.980111 C -3.931499 2.757748 -7.222005 C -3.475874 0.219265 -8.248794 C -3.368429 2.612452 -8.494956 C -3.145660 1.339245 -9.015094 F -7.029033 2.773788 -6.397691 F -9.577034 1.951017 -6.396655 F -10.308651 -0.257202 -4.964435 F -8.428770 -1.623208 -3.530393 F -5.893223 -0.808588 -3.494214 F -1.929201 0.838595 -5.175321 F -0.355474 0.079651 -3.200051 F -1.284834 -0.065269 -0.640706 F -3.867989 0.643446 -0.097650 F -5.456198 1.521937 -2.061512 F -4.282643 -0.692685 -6.253567 F -4.143142 4.018199 -6.824207 F -3.046405 3.690786 -9.215634 F -2.617481 1.190015 -10.229471 F -3.263209 -1.007073 -8.731382 H -7.279228 2.776856 -1.740976 H -9.734886 2.425670 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-5.430590 -0.592648 17.327494 C -4.592771 -1.948664 15.512572 H -4.326093 -4.036511 15.952984 C -4.980883 -0.701442 16.009278 H -5.734512 0.384437 17.713766 H -4.234882 -2.049960 14.484877 H -4.935251 0.186019 15.372904 C -4.723398 -5.886440 17.747713 C -3.565326 -6.617078 18.070995 C -5.594261 -6.381194 16.738940 C -3.251357 -7.808926 17.415514 H -2.906643 -6.264341 18.865757 C -5.265296 -7.589476 16.101979 C -4.109025 -8.301750 16.429648 H -2.347168 -8.357678 17.690046 H -5.946547 -7.986764 15.346720 H -3.884693 -9.242047 15.919761 C -3.949137 -4.222010 20.049812 C -4.375243 -4.502173 21.361480 C -2.613174 -3.792453 19.832621 C -3.514627 -4.391575 22.455109 H -5.409902 -4.806762 21.526689 C -1.764626 -3.682989 20.947767 C -2.198231 -3.978855 22.242985 H -3.873500 -4.623562 23.460739 H -0.732148 -3.357845 20.791825 H -1.505742 -3.883570 23.083343 C -5.991045 -1.538874 19.595472 H -5.162136 -1.649333 20.314484 H -6.739801 -2.302937 19.863381 H -6.439724 -0.546603 19.747513 C -2.070096 -3.434584 18.470932 H -2.371990 -4.156848 17.700691 H -0.971580 -3.388183 18.488759 H -2.445521 -2.452171 18.143449 C -6.851657 -5.655711 16.325667 H -7.568397 -6.347378 15.864917 H -6.627578 -4.854942 15.602171 H -7.347228 -5.170512 17.182021 B -9.446529 -9.021679 20.472074 C -11.056877 -8.875578 20.645784 C -11.839008 -9.635970 21.520635 C -11.765816 -8.004201 19.809292 C -13.230004 -9.522343 21.592510 C -13.152826 -7.854643 19.854419 C -13.890800 -8.624133 20.754775 C -8.632335 -9.661512 21.717214 C -8.865243 -9.176968 23.010835 C -7.629191 -10.629225 21.619624 C -8.178802 -9.622773 24.138505 C -6.916004 -11.104578 22.723592 C -7.190837 -10.597631 23.990645 C -9.167268 -9.639610 18.993567 C -8.730108 -8.963244 17.856926 C -9.535369 -10.973318 18.782836 C -8.637473 -9.560639 16.596272 C -9.451645 -11.615339 17.549251 C -8.997647 -10.897069 16.439847 F -8.359483 -7.669484 17.915992 F -8.214760 -8.857753 15.539969 F -8.913671 -11.482885 15.248227 F -9.805234 -12.893393 17.415091 F 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9.343420 -11.995538 H 5.758444 9.967231 -13.358980 C 3.102803 9.749393 -11.245652 H 1.825999 11.394604 -10.687257 H 4.536620 8.300425 -11.984234 H 2.550943 9.025228 -10.640693 C 5.947318 11.821658 -15.288743 C 7.308807 11.718104 -15.624846 C 4.976544 11.246856 -16.152064 C 7.719715 11.097694 -16.809292 H 8.064268 12.136023 -14.956337 C 5.410091 10.628931 -17.334036 C 6.764401 10.561904 -17.675925 H 8.783603 11.044238 -17.053836 H 4.665508 10.210785 -18.013120 H 7.061359 10.099663 -18.620453 C 6.909365 13.261956 -12.937482 C 7.268117 12.579695 -11.761700 C 7.715419 14.344694 -13.381623 C 8.405575 12.937944 -11.032729 H 6.651378 11.752858 -11.406300 C 8.858316 14.682039 -12.639941 C 9.207120 13.991768 -11.475841 H 8.662638 12.390402 -10.122342 H 9.484393 15.510878 -12.982339 H 10.100461 14.281362 -10.916539 C 2.880409 13.476535 -12.056326 H 2.025448 13.602962 -11.376103 H 3.666988 14.182772 -11.745709 H 2.556438 13.778059 -13.065172 C 7.380892 15.125523 -14.629157 H 8.059229 15.980025 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-0.452924 -24.154453 -5.248715 C 0.787075 -23.507880 -5.149822 C 1.834625 -23.902474 -5.997664 C 1.645224 -24.927343 -6.925986 C 0.407940 -25.573187 -7.017666 H -1.608629 -25.680997 -6.240966 H -1.271597 -23.858737 -4.592920 H 0.262569 -26.380713 -7.739021 C 0.956783 -22.390170 -4.143032 P 2.484872 -22.560088 -2.995108 C 1.931759 -22.117427 -1.320202 C 1.378097 -20.840602 -1.041691 C 2.161016 -23.044710 -0.292453 C 1.056509 -20.558990 0.293360 C 1.834793 -22.730157 1.026379 H 2.634983 -23.996232 -0.515136 C 1.276241 -21.485495 1.316963 H 0.629296 -19.582546 0.534750 H 2.034107 -23.452571 1.818149 H 1.018852 -21.225955 2.346599 C 3.079293 -24.273228 -3.130357 C 4.369026 -24.467431 -3.663176 C 2.237707 -25.381254 -2.866312 C 4.832010 -25.746803 -3.950004 H 5.021322 -23.617754 -3.857774 C 2.741027 -26.659345 -3.156341 C 4.011941 -26.848656 -3.693460 H 5.835812 -25.879134 -4.355109 H 2.109756 -27.525813 -2.944602 H 4.369033 -27.859231 -3.905608 C 3.864017 -21.421644 -3.386909 C 4.831586 -21.439330 -2.357206 C 4.043182 -20.594911 -4.525428 C 5.980588 -20.656779 -2.440780 H 4.707961 -22.085418 -1.486390 C 5.215255 -19.819046 -4.573453 C 6.171447 -19.842455 -3.558282 H 6.708087 -20.691979 -1.629110 H 5.373097 -19.172663 -5.440027 H 7.065695 -19.220304 -3.642153 C 1.115233 -19.798153 -2.099998 H 1.966547 -19.679649 -2.787280 H 0.228910 -20.062771 -2.696562 H 0.926541 -18.817236 -1.643257 C 3.060869 -20.440109 -5.661958 H 2.174395 -19.863883 -5.348290 H 3.521277 -19.883322 -6.488651 H 2.716842 -21.395971 -6.075771 C 0.857863 -25.299545 -2.260962 H 0.155016 -25.920110 -2.835734 H 0.888310 -25.696823 -1.233447 H 0.443567 -24.287362 -2.214054 H 2.820505 -23.441765 -5.924262 H 2.474168 -25.228313 -7.570316 F -0.145359 -22.318877 -3.307308 H 1.041063 -21.415683 -4.638388 B 5.595250 -24.852670 0.515079 C 6.233119 -26.122688 -0.332007 C 6.155183 -27.472055 0.015276 C 6.917534 -25.858104 -1.521015 C 6.679358 -28.502324 -0.770814 C 7.457703 -26.853764 -2.336785 C 7.329665 -28.190451 -1.964278 C 4.415193 -25.302286 1.582717 C 3.301030 -25.984570 1.086692 C 4.344421 -24.980540 2.938461 C 2.182098 -26.317862 1.845874 C 3.248221 -25.305175 3.749390 C 2.155911 -25.973912 3.199011 C 6.848544 -24.039206 1.208175 C 7.798335 -24.715516 1.978226 C 7.091872 -22.676640 1.038961 C 8.928052 -24.109957 2.527576 C 8.217321 -22.026174 1.556302 C 9.144008 -22.748026 2.305406 F 7.628557 -26.024824 2.241326 F 9.801035 -24.810633 3.258145 F 10.221001 -22.145051 2.812685 F 8.407284 -20.720035 1.336188 F 6.235909 -21.888272 0.361413 F 5.339021 -24.317663 3.552086 F 3.236185 -24.971780 5.042995 F 1.100472 -26.280718 3.953219 F 1.135162 -26.938356 1.289638 F 3.259765 -26.339787 -0.212367 F 5.551871 -27.856687 1.153293 F 6.562214 -29.779835 -0.393374 F 7.823128 -29.158536 -2.739039 F 8.053761 -26.539383 -3.495592 F 7.079687 -24.594290 -1.950654 F 4.933924 -24.007056 -0.445699 62 TSCHF2/THT C 9.317255 -17.380993 -2.913831 C 8.359518 -16.890552 -3.797973 C 7.754269 -17.765524 -4.717821 C 8.118475 -19.122071 -4.756563 C 9.074501 -19.604609 -3.863830 C 9.669709 -18.737275 -2.941168 H 9.781691 -16.709786 -2.188727 H 8.068439 -15.839774 -3.774675 H 7.649519 -19.789206 -5.479670 H 9.351728 -20.660060 -3.883806 H 10.409190 -19.119209 -2.234212 C 6.726552 -17.271516 -5.633157 F 6.656258 -15.968932 -5.763871 F 5.228600 -17.532001 -4.939478 B 4.570925 -18.401146 -3.720725 C 5.488543 -17.989573 -2.454728 C 5.523471 -16.653608 -2.034276 C 6.344420 -18.851191 -1.762870 C 6.324182 -16.192851 -0.991281 C 7.162602 -18.431773 -0.710433 C 7.155287 -17.094298 -0.324173 C 4.546486 -19.966140 -4.151042 C 3.974257 -20.856483 -3.235200 C 4.921169 -20.531230 -5.367909 C 3.810023 -22.218190 -3.476669 C 4.780716 -21.892648 -5.656688 C 4.217147 -22.741575 -4.706523 C 3.044902 -17.847836 -3.744525 C 2.316466 -17.466974 -2.613292 C 2.335271 -17.827383 -4.951900 C 0.981239 -17.058791 -2.669998 C 1.004749 -17.418009 -5.053307 C 0.322013 -17.032461 -3.898895 F 2.875661 -17.484435 -1.395535 F 0.332104 -16.700116 -1.561242 F -0.948975 -16.644772 -3.969926 F 0.379811 -17.407419 -6.231648 F 2.928712 -18.223940 -6.088066 F 5.470628 -19.786142 -6.348479 F 5.178404 -22.378526 -6.833258 F 4.072244 -24.039181 -4.964498 F 3.269176 -23.018483 -2.558223 F 3.569140 -20.390719 -2.041551 F 4.767741 -15.737688 -2.658138 F 6.324478 -14.905284 -0.644351 F 7.959886 -16.671488 0.647298 F 7.996632 -19.289624 -0.120790 F 6.461253 -20.141875 -2.105572 H 6.516644 -17.816046 -6.552616 S 8.940263 -17.105470 -7.993342 C 9.989142 -18.622038 -7.851304 C 10.056745 -16.087022 -6.917368 C 11.070157 -17.059039 -6.301525 C 11.352540 -18.142214 -7.347175 H 10.036117 -19.113944 -8.833269 H 9.522398 -19.314795 -7.133892 H 9.450189 -15.568100 -6.160666 H 10.547553 -15.330524 -7.547896 H 10.638396 -17.521959 -5.401165 H 11.984535 -16.527385 -5.993516 H 11.933510 -18.979828 -6.928453 H 11.932383 -17.718167 -8.184186 62 TSCHF2/THT-II C 6.552923 -13.158755 -8.338031 C 5.508279 -13.823714 -7.698182 C 5.268496 -13.587830 -6.333945 C 6.059047 -12.670636 -5.618599 C 7.095393 -12.005175 -6.268923 C 7.348175 -12.254664 -7.624520 H 6.749790 -13.347744 -9.394841 H 4.876171 -14.521102 -8.247858 H 5.865961 -12.495294 -4.559552 H 7.721708 -11.302655 -5.715570 H 8.172730 -11.742745 -8.125161 C 4.178853 -14.296442 -5.669194 F 3.801726 -13.815465 -4.508131 F 4.755272 -15.784033 -5.136232 B 6.044038 -16.748683 -5.381089 C 5.781946 -17.898325 -4.264029 C 6.751139 -18.398863 -3.389149 C 4.533318 -18.529951 -4.202951 C 6.498541 -19.434258 -2.485317 C 4.237502 -19.561518 -3.310411 C 5.232433 -20.017999 -2.444859 C 7.293265 -15.750629 -5.134782 C 8.208667 -15.345105 -6.110004 C 7.459714 -15.152552 -3.878996 C 9.233886 -14.428552 -5.860971 C 8.466290 -14.234329 -3.587898 C 9.362372 -13.867623 -4.593317 C 5.911526 -17.431858 -6.847964 C 4.862214 -17.320083 -7.757408 C 6.916726 -18.335735 -7.210238 C 4.817431 -18.022852 -8.966070 C 6.916432 -19.059763 -8.399913 C 5.849370 -18.901880 -9.287976 F 3.819098 -16.496771 -7.528323 F 3.794768 -17.858776 -9.806102 F 5.822804 -19.581032 -10.432346 F 7.910567 -19.897245 -8.695008 F 7.959265 -18.515524 -6.381448 F 6.609034 -15.443302 -2.883139 F 8.564755 -13.686223 -2.376131 F 10.306331 -12.961641 -4.352296 F 10.045820 -14.039924 -6.845274 F 8.124002 -15.787134 -7.372630 F 7.996342 -17.903326 -3.383078 F 7.457129 -19.871756 -1.667287 F 4.975628 -21.004247 -1.589119 F 3.026704 -20.120810 -3.287597 F 3.549474 -18.157596 -5.035970 H 3.361116 -14.707689 -6.259480 S 2.113162 -12.162578 -7.032158 C 1.812787 -11.449742 -5.346788 C 3.330329 -10.847518 -7.504945 C 3.198756 -9.743531 -6.450299 C 2.938255 -10.438568 -5.110185 H 1.809028 -12.265785 -4.610864 H 0.824827 -10.964628 -5.340202 H 3.102348 -10.499548 -8.522406 H 4.339374 -11.285080 -7.505479 H 2.348540 -9.086772 -6.699663 H 4.105869 -9.118515 -6.424377 H 2.666760 -9.725034 -4.315838 H 3.847894 -10.968240 -4.783985 62 TSCHF2/THT-III C -9.682297 -14.545609 9.651741 C -10.605461 -15.558564 9.903636 C -10.609509 -16.705409 9.091121 C -9.693187 -16.838477 8.033404 C -8.781017 -15.815865 7.782524 C -8.775280 -14.672384 8.591908 H -9.663729 -13.656082 10.284046 H -11.313465 -15.475287 10.729470 H -9.697906 -17.739756 7.417301 H -8.063792 -15.913307 6.965385 H -8.048767 -13.879268 8.402449 C -11.555991 -17.782185 9.339595 F -12.687097 -17.448703 9.906940 F -10.945509 -18.665894 10.666194 B -9.726336 -19.678776 10.935104 C -9.819405 -19.864877 12.548452 C -8.733649 -19.803508 13.427060 C -11.046526 -20.202881 13.132739 C -8.852257 -20.028804 14.801152 C -11.209807 -20.428173 14.500649 C -10.099424 -20.341714 15.341402 C -8.442746 -18.867964 10.367303 C -8.111764 -17.630652 10.934913 C -7.653660 -19.249938 9.278984 C -7.073495 -16.824285 10.478751 C -6.591219 -18.477880 8.797043 C -6.303601 -17.255297 9.397912 C -10.068426 -21.108541 10.241387 C -9.141273 -22.138486 10.436717 C -11.231427 -21.477945 9.567761 C -9.323126 -23.442200 9.982095 C -11.460239 -22.774365 9.092801 C -10.501655 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13.494700 -13.164745 -1.614043 C 12.146335 -13.274574 -1.277539 C 11.372670 -14.295976 -1.856096 C 11.941413 -15.185856 -2.784710 C 13.285016 -15.058228 -3.125404 C 14.063748 -14.055273 -2.532356 H 14.106588 -12.385757 -1.155423 H 11.692300 -12.594183 -0.557706 H 11.330343 -15.970949 -3.234010 H 13.733314 -15.749619 -3.841391 H 15.122531 -13.971192 -2.786405 C 9.971891 -14.471409 -1.493705 F 9.307553 -13.404571 -1.139362 F 9.914237 -15.292989 -0.008115 B 10.899239 -16.014631 1.066992 C 11.434827 -14.898500 2.118009 C 11.104089 -13.546118 2.179791 C 12.252453 -15.359055 3.156294 C 11.574912 -12.690727 3.182343 C 12.743471 -14.547266 4.175757 C 12.395470 -13.194340 4.189266 C 12.011944 -16.734929 0.137824 C 11.624581 -17.746224 -0.750115 C 13.364045 -16.384233 0.081823 C 12.503409 -18.396177 -1.613853 C 14.280422 -17.010303 -0.767606 C 13.847771 -18.020761 -1.622048 C 9.853342 -16.981739 1.851287 C 10.083449 -18.324367 2.167154 C 8.662754 -16.442649 2.355133 C 9.182356 -19.099436 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24.169145 H 15.869958 -27.463169 22.541901 C 12.108370 -23.107860 25.221721 C 12.038701 -22.557711 26.515453 C 11.597382 -22.357018 24.146527 C 11.465916 -21.301250 26.728497 C 11.020417 -21.104391 24.360304 C 10.951450 -20.570455 25.652546 H 12.457869 -23.098511 27.366274 H 11.429538 -20.888109 27.739645 H 10.503843 -19.587467 25.819284 C 13.885243 -27.561657 26.792397 C 14.012748 -28.933780 26.504695 C 14.076330 -27.140023 28.122562 C 14.328693 -29.850865 27.509650 C 14.395025 -28.055929 29.127303 C 14.525427 -29.415768 28.824638 H 13.845342 -29.293442 25.487339 H 14.009471 -26.079373 28.370513 H 14.417522 -30.912041 27.264442 H 14.552892 -27.703678 30.149582 H 14.778001 -30.132593 29.609688 C 14.463810 -25.870644 22.075675 C 15.509243 -26.768263 21.782171 C 14.055094 -24.976395 21.068866 C 16.142149 -26.750751 20.537448 C 14.680545 -24.966153 19.821752 C 15.735251 -25.845035 19.553199 H 13.255011 -24.270185 21.291495 H 16.971587 -27.434773 20.342674 H 14.352220 -24.256366 19.058159 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H 14.884720 -24.689489 21.264179 H 15.662922 -29.125868 23.383142 H 14.197777 -26.768129 20.074177 H 14.588692 -28.996459 21.129271 H 17.844038 -20.745668 19.148862 H 16.747726 -22.289226 20.763668 H 21.590193 -22.032844 24.362020 H 20.717910 -22.678380 22.134907 F 19.376477 -24.095141 20.592006 C 21.129863 -23.257991 26.758695 H 20.449647 -23.537880 27.575096 H 22.075843 -23.806646 26.906316 H 21.360235 -22.184924 26.821441 58 [1a-TPPy]+ F 16.222697 -27.322236 21.387322 C 20.523251 -25.844966 19.569806 C 17.870079 -25.954070 20.499923 C 18.127214 -25.633794 19.165814 C 16.457182 -26.045086 21.017398 C 19.446174 -25.576756 18.711935 C 18.929701 -26.255901 21.367431 H 18.733218 -26.521473 22.408813 C 20.240188 -26.194319 20.903832 H 21.062950 -26.417355 21.588000 C 16.564696 -24.051159 24.788071 C 17.107330 -23.455590 23.631922 C 16.905225 -23.990376 22.371773 N 16.205500 -25.180410 22.242568 C 15.484714 -25.679373 23.316229 C 15.695770 -25.135963 24.575710 H 17.645377 -22.510828 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-6.231079 C 2.926072 3.797099 -1.317996 C 3.346264 3.202543 -0.116507 C 2.036360 4.875105 -1.176749 C 2.903205 3.617403 1.136758 C 1.591678 5.335832 0.060844 C 2.009410 4.685487 1.224178 F 4.224564 0.886605 -4.217916 F 6.718208 -0.084334 -4.348062 F 8.756610 1.196470 -3.073372 F 8.268144 3.464653 -1.646006 F 5.773606 4.438012 -1.475248 F 1.577409 5.515670 -2.256732 F 0.758465 6.369723 0.143237 F 1.557361 5.085797 2.404891 F 3.316695 2.992014 2.233741 F 4.186646 2.161803 -0.125121 F 0.513450 2.960328 -2.649788 F 4.252918 3.550080 -5.514580 F 2.645295 3.271165 -7.632513 F -0.007782 2.770533 -7.286091 F -1.047656 2.586639 -4.765132 77 BCF-PTol’-II P -0.376580 1.054588 2.228012 C -0.608741 0.219810 0.592099 C -1.156940 -1.090438 0.559765 C -0.326060 0.875815 -0.617434 C -1.364146 -1.699643 -0.687512 C -0.561988 0.258447 -1.849188 H 0.086976 1.884487 -0.601228 C -1.070218 -1.040735 -1.884381 H -1.772224 -2.713981 -0.717593 H -0.333273 0.788374 -2.775085 H -1.241229 -1.541004 -2.840699 C 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-2.529260 C 3.518162 2.049611 -1.235375 C 2.532329 0.960531 -3.103356 C 3.585506 0.842606 -0.538336 C 2.559511 -0.260268 -2.433330 C 3.101969 -0.317181 -1.147423 C 3.872287 3.766800 -4.536910 C 3.615652 4.803943 -5.459408 C 4.989512 2.954308 -4.827751 C 4.400728 5.023919 -6.588410 C 5.801814 3.156271 -5.942092 C 5.500933 4.194837 -6.827122 C 2.039258 4.631746 -2.692077 C 0.707592 4.344704 -2.372441 C 2.487683 5.924418 -2.396664 C -0.146766 5.277280 -1.790954 C 1.670593 6.877947 -1.792906 C 0.345319 6.549259 -1.497174 F 1.992098 0.996734 -4.330152 F 2.057212 -1.358378 -2.990795 F 3.139130 -1.481057 -0.504057 F 4.099199 0.795317 0.689523 F 4.010332 3.149028 -0.646006 F 3.751143 6.265862 -2.669224 F 2.140338 8.080312 -1.470204 F -0.432649 7.432864 -0.883716 F -1.398887 4.956644 -1.476979 F 0.203789 3.135051 -2.649051 F 2.573206 5.616811 -5.294211 F 5.335297 1.955763 -4.016795 F 6.852870 2.375974 -6.170351 F 6.258070 4.394563 -7.892181 F 4.115863 6.004931 -7.438155 77 BCF-PTol’-III P 0.036946 -0.373172 -0.011023 C 1.489757 -1.281239 0.699571 C 2.618482 -1.490580 -0.133955 C 1.510247 -1.758934 2.020192 C 3.736526 -2.149534 0.399911 C 2.626530 -2.430149 2.528515 H 0.644277 -1.596229 2.665760 C 3.747313 -2.619320 1.716662 H 4.618021 -2.290644 -0.231338 H 2.621270 -2.793384 3.559429 H 4.630692 -3.132689 2.105137 C 0.580925 1.391554 0.181767 C 1.702457 1.738632 0.953852 C -0.122487 2.406269 -0.514515 C 2.140567 3.061037 1.041750 H 2.248312 0.963132 1.494093 C 0.338309 3.728865 -0.421339 C 1.460930 4.060561 0.342076 H 3.023994 3.303297 1.635322 H -0.185214 4.515071 -0.969666 H 1.804686 5.096170 0.387415 C -1.252716 -0.545829 1.307821 C -1.607297 0.524675 2.147103 C -1.952495 -1.776569 1.418783 C -2.635938 0.399965 3.085341 H -1.069668 1.471728 2.069578 C -2.975743 -1.882983 2.373369 C -3.322629 -0.810428 3.200200 H -2.893930 1.247153 3.726046 H -3.515172 -2.830024 2.465627 H -4.128204 -0.922662 3.930469 C 2.650755 -0.988103 -1.555465 H 2.636730 0.110818 -1.583221 H 3.552299 -1.327742 -2.082129 H 1.768542 -1.321826 -2.124652 C -1.602545 -2.966429 0.558503 H -2.340527 -3.773572 0.672318 H -1.550391 -2.691010 -0.507854 H -0.612685 -3.372703 0.826415 C -1.339010 2.094802 -1.351262 H -2.149981 1.666541 -0.739223 H -1.728142 3.000613 -1.838772 H -1.103376 1.357415 -2.133841 B 3.273625 4.287500 -2.791157 C 4.196023 3.153027 -2.217587 C 4.705602 3.204814 -0.907660 C 4.501097 1.983478 -2.936126 C 5.380916 2.141590 -0.311007 C 5.217415 0.922514 -2.388742 C 5.634858 0.990359 -1.057979 C 2.099119 3.951254 -3.782685 C 1.685550 4.856322 -4.776990 C 1.369714 2.750663 -3.723285 C 0.627726 4.600684 -5.648719 C 0.301495 2.464275 -4.569726 C -0.076196 3.399712 -5.535589 C 3.501189 5.778176 -2.343182 C 2.437518 6.650889 -2.066433 C 4.788399 6.314603 -2.184906 C 2.625660 7.963621 -1.638501 C 5.017694 7.628265 -1.779277 C 3.926427 8.454881 -1.500382 F 4.096293 1.845094 -4.200913 F 5.460482 -0.176601 -3.100763 F 6.263941 -0.038720 -0.508505 F 5.771388 2.214801 0.958736 F 4.524192 4.286569 -0.146120 F 5.863562 5.561297 -2.435814 F 6.255661 8.098602 -1.652926 F 4.124698 9.704189 -1.104841 F 1.587090 8.749260 -1.366607 F 1.171609 6.232586 -2.184204 F 2.322574 6.018949 -4.940977 F 1.666598 1.820004 -2.814110 F -0.364945 1.316435 -4.461014 F -1.088561 3.143263 -6.349715 F 0.282265 5.486499 -6.578861 77 BCF-PTol’-IV P -0.580531 0.014913 0.944367 C 0.116149 -1.178190 -0.287108 C -0.106707 -2.563846 -0.071264 C 0.798790 -0.762211 -1.442260 C 0.363035 -3.476591 -1.028127 C 1.252441 -1.688385 -2.385759 H 0.985604 0.300041 -1.603871 C 1.032612 -3.051486 -2.178454 H 0.195766 -4.545200 -0.865615 H 1.781072 -1.349430 -3.275980 H 1.383224 -3.784135 -2.909839 C -0.198689 1.687438 0.245551 C 0.752373 2.529364 0.848044 C -0.966523 2.180011 -0.843774 C 0.951184 3.838632 0.403674 H 1.361304 2.152291 1.671246 C -0.751872 3.497332 -1.272978 C 0.193731 4.325945 -0.662440 H 1.703397 4.471218 0.878018 H -1.329749 3.876671 -2.118604 H 0.337213 5.345628 -1.024717 C 0.635019 -0.112338 2.339950 C 1.904216 -0.686027 2.159974 C 0.264109 0.374815 3.619426 C 2.805384 -0.796370 3.221816 H 2.201220 -1.035131 1.169435 C 1.183603 0.254320 4.673369 C 2.440910 -0.327577 4.485537 H 3.792040 -1.235110 3.054924 H 0.905761 0.627370 5.663250 H 3.134849 -0.408201 5.326344 C -0.802927 -3.072325 1.167897 H -1.753990 -2.542947 1.343021 H -1.013491 -4.149065 1.094519 H -0.183207 -2.908797 2.065686 C -1.067638 1.045810 3.858111 H -1.143827 1.988807 3.290469 H -1.905746 0.411319 3.528247 H -1.209506 1.283295 4.922417 C -1.970299 1.320655 -1.572549 H -2.571361 0.714249 -0.875220 H -2.651951 1.932752 -2.180473 H -1.463983 0.613327 -2.251029 B 3.227358 4.142464 -2.540069 C 2.490785 3.114717 -3.472119 C 1.170969 3.324462 -3.905295 C 3.063883 1.886990 -3.840819 C 0.421275 2.342893 -4.551604 C 2.371408 0.917677 -4.560287 C 1.027795 1.129042 -4.879536 C 4.140281 3.630224 -1.367366 C 5.239845 4.371216 -0.897159 C 3.891807 2.424985 -0.684425 C 6.027930 3.966958 0.179259 C 4.643817 1.999410 0.407732 C 5.721342 2.775243 0.840564 C 3.002201 5.683187 -2.756591 C 2.880608 6.589784 -1.691344 C 2.886083 6.235320 -4.042602 C 2.644425 7.950437 -1.875569 C 2.669758 7.593865 -4.268286 C 2.543927 8.454335 -3.175120 F 4.326773 1.608996 -3.508153 F 2.958957 -0.229823 -4.900978 F 0.337537 0.181464 -5.495928 F -0.859258 2.551625 -4.848777 F 0.555259 4.487045 -3.675776 F 2.995923 5.454449 -5.121357 F 2.579258 8.074948 -5.505124 F 2.329418 9.747324 -3.369879 F 2.515639 8.768687 -0.834840 F 2.961645 6.161824 -0.426085 F 5.585967 5.516564 -1.491013 F 2.881291 1.630826 -1.044285 F 4.347297 0.864501 1.036276 F 6.453853 2.379278 1.870320 F 7.062440 4.700544 0.580607 77 BCF-PTol’-V P -0.058901 1.338641 1.797530 C 0.841565 -0.177677 1.227945 C 0.991394 -0.395345 -0.166338 C 1.295588 -1.157224 2.128125 C 1.566122 -1.599314 -0.601094 C 1.877907 -2.344159 1.674605 H 1.191681 -0.991525 3.202309 C 2.008867 -2.568297 0.302790 H 1.678042 -1.778521 -1.672765 H 2.226048 -3.089446 2.394313 H 2.459077 -3.492552 -0.067755 C 1.237811 2.659102 1.737966 C 2.577101 2.383722 1.413793 C 0.842834 3.999599 1.987279 C 3.525878 3.407048 1.331920 H 2.888918 1.354217 1.223575 C 1.812944 5.010279 1.905542 C 3.140780 4.726373 1.575736 H 4.556080 3.168630 1.066041 H 1.512083 6.046603 2.078935 H 3.867284 5.538920 1.496558 C -0.242627 1.036382 3.617957 C 0.587610 1.658820 4.565840 C -1.290882 0.188557 4.062386 C 0.395752 1.463973 5.936457 H 1.399713 2.306164 4.228790 C -1.462155 0.001082 5.442919 C -0.634809 0.630847 6.377116 H 1.053686 1.960141 6.654566 H -2.266842 -0.652765 5.791180 H -0.796901 0.469140 7.445963 C 0.601157 0.655551 -1.173169 H -0.372882 1.114538 -0.942076 H 1.334570 1.478704 -1.172081 H 0.559787 0.250443 -2.193723 C -2.193679 -0.532288 3.090608 H -1.636573 -1.299363 2.526496 H -2.618283 0.159432 2.344884 H -3.022541 -1.033257 3.611261 C -0.583571 4.352528 2.335480 H -0.907548 3.852185 3.262394 H -0.701598 5.435638 2.472896 H -1.273172 4.034114 1.537190 B 2.756256 3.619727 -3.811922 C 3.337300 2.282843 -3.216759 C 4.087529 2.294916 -2.035752 C 3.026417 1.028859 -3.749861 C 4.505673 1.126538 -1.400130 C 3.427321 -0.159162 -3.142393 C 4.168615 -0.108120 -1.959074 C 2.942126 4.050983 -5.287430 C 2.188090 5.100512 -5.859233 C 3.875650 3.430472 -6.147585 C 2.335638 5.500862 -7.185675 C 4.051983 3.813793 -7.474413 C 3.275043 4.854218 -7.993479 C 1.904013 4.467341 -2.783225 C 0.638060 4.015839 -2.414199 C 2.376487 5.617230 -2.155246 C -0.137733 4.658711 -1.451078 C 1.634200 6.286049 -1.182805 C 0.366933 5.808876 -0.842744 F 2.287732 0.946142 -4.861044 F 3.070463 -1.339254 -3.648109 F 4.547592 -1.230292 -1.365304 F 5.206868 1.171278 -0.268049 F 4.445281 3.465986 -1.498615 F 3.592378 6.086587 -2.464149 F 2.129114 7.349149 -0.551928 F -0.343323 6.434951 0.090703 F -1.329551 4.179448 -1.096635 F 0.137630 2.921995 -3.012744 F 1.274852 5.751495 -5.143252 F 4.653228 2.443661 -5.707937 F 4.946900 3.208664 -8.247463 F 3.429668 5.226484 -9.251590 F 1.598955 6.486083 -7.687022 77 BCF-PTol’-VI P 1.358313 -0.532800 1.776736 C 1.667721 -0.416248 -0.046867 C 3.007534 -0.395451 -0.520011 C 0.614827 -0.486660 -0.976009 C 3.230725 -0.433287 -1.905021 C 0.862675 -0.547270 -2.350541 H -0.418438 -0.482766 -0.624381 C 2.176020 -0.510197 -2.818759 H 4.256198 -0.404203 -2.276269 H 0.026356 -0.609038 -3.050697 H 2.384319 -0.536476 -3.891006 C -0.493566 -0.575766 1.869165 C -1.247676 0.582460 2.121510 C -1.158541 -1.819079 1.709094 C -2.640153 0.531409 2.223218 H -0.740395 1.542514 2.228050 C -2.558442 -1.847976 1.810656 C -3.298540 -0.690360 2.067762 H -3.205944 1.446406 2.416322 H -3.077797 -2.802392 1.685767 H -4.387592 -0.745474 2.144326 C 1.744721 1.161907 2.414947 C 2.047047 2.235660 1.562691 C 1.771132 1.359850 3.820304 C 2.380670 3.493834 2.071510 H 2.014084 2.088118 0.482882 C 2.110162 2.630039 4.311526 C 2.417631 3.689400 3.453179 H 2.600847 4.317766 1.392562 H 2.133207 2.789326 5.393348 H 2.681941 4.666981 3.864396 C 4.181845 -0.316581 0.425382 H 4.111124 -1.081165 1.216898 H 5.134129 -0.449862 -0.104877 H 4.218964 0.658335 0.938101 C 1.414115 0.254053 4.784129 H 0.349301 -0.020403 4.695369 H 1.992564 -0.661868 4.580522 H 1.598269 0.556504 5.825143 C -0.402857 -3.088838 1.399203 H 0.056675 -3.041786 0.397287 H 0.418527 -3.255074 2.114672 H -1.067121 -3.964803 1.422474 B 2.654329 4.343297 -3.146198 C 1.285613 3.583585 -2.992281 C 0.678046 3.438959 -1.739981 C 0.684662 2.905481 -4.058907 C -0.454444 2.655864 -1.534231 C -0.443223 2.104683 -3.891076 C -1.008120 1.977934 -2.620119 C 3.792172 3.856008 -2.154604 C 4.110906 4.497290 -0.960865 C 4.482575 2.679448 -2.442587 C 5.045089 3.981401 -0.061143 C 5.449580 2.152488 -1.588675 C 5.706538 2.792774 -0.374581 C 2.913888 5.431333 -4.218523 C 1.866819 6.054941 -4.933590 C 4.217476 5.878134 -4.531422 C 2.087745 7.043126 -5.889243 C 4.470925 6.858576 -5.488679 C 3.398347 7.443927 -6.166893 F 1.221369 2.983248 -5.281050 F -0.948388 1.408459 -4.906991 F -2.035938 1.159046 -2.433786 F -0.975108 2.509223 -0.319227 F 1.186201 4.082465 -0.682670 F 5.280615 5.356367 -3.924385 F 5.713567 7.241919 -5.760235 F 3.622698 8.378398 -7.073526 F 1.073458 7.609928 -6.533178 F 0.597328 5.728810 -4.702258 F 3.481359 5.633757 -0.627187 F 4.216916 2.033333 -3.588820 F 6.101052 1.029131 -1.894456 F 6.577568 2.267171 0.479946 F 5.284399 4.593163 1.096128 47 BCF-THT B -0.424086 -2.226065 -0.640958 C -0.960529 -0.701688 -0.502475 C -2.224546 -0.250367 -0.905125 C -0.151732 0.286472 0.074295 C -2.667458 1.063554 -0.711227 C -0.551134 1.600665 0.296048 C -1.829576 1.995431 -0.102614 C 1.056499 -2.392629 -1.290967 C 1.808456 -3.558806 -1.111890 C 1.640862 -1.446895 -2.141704 C 3.063591 -3.775864 -1.676919 C 2.895544 -1.619711 -2.732644 C 3.613401 -2.791974 -2.499375 C -1.499539 -3.314545 -1.195864 C -1.357146 -4.005719 -2.404291 C -2.666817 -3.614462 -0.482848 C -2.285091 -4.949426 -2.859027 C -3.617251 -4.544103 -0.894628 C -3.420081 -5.223266 -2.098907 F -2.927169 -2.954943 0.663281 F -4.707732 -4.781240 -0.165265 F -4.312133 -6.116122 -2.518889 F -2.094299 -5.581071 -4.017775 F -0.312249 -3.782460 -3.215043 F -3.093367 -1.060346 -1.523741 F -3.884083 1.429975 -1.113063 F -2.239646 3.244280 0.093624 F 0.267642 2.470934 0.886631 F 1.098836 -0.023079 0.466419 F 1.314658 -4.555415 -0.351232 F 3.730667 -4.907023 -1.448630 F 4.807680 -2.971426 -3.056265 F 3.403532 -0.679561 -3.529886 F 1.000466 -0.312016 -2.457335 C -0.959851 -1.723709 2.586054 C 1.523475 -2.637720 2.001193 C 0.195823 -1.013074 3.300144 H -1.564360 -2.334424 3.270386 H -1.628970 -1.055910 2.030371 C 1.361086 -2.006640 3.386504 H 2.024335 -1.968544 1.292032 H 2.032189 -3.609620 2.007595 H 0.504027 -0.126322 2.729671 H -0.127234 -0.672391 4.295493 H 2.299014 -1.517276 3.691138 H 1.138068 -2.789279 4.129944 S -0.201274 -2.932781 1.404966 47 BCF-THT-II B -0.190182 -1.758486 0.667867 C 0.870616 -2.838635 1.263056 C 2.251353 -2.698316 1.086135 C 0.493187 -3.911675 2.079264 C 3.201288 -3.564917 1.624454 C 1.407768 -4.805999 2.641428 C 2.772353 -4.632564 2.413328 C -1.701756 -2.309334 0.476365 C -2.864601 -1.656064 0.904303 C -1.928825 -3.530053 -0.173818 C -4.152159 -2.154116 0.673185 C -3.189031 -4.062968 -0.429678 C -4.317890 -3.363074 0.000662 C -0.034503 -0.279083 1.329848 C -0.551138 0.860524 0.701061 C 0.600143 -0.033572 2.553513 C -0.435420 2.153164 1.203783 C 0.741056 1.247722 3.098647 C 0.224195 2.348442 2.419061 F 1.100876 -1.033598 3.293603 F 1.359200 1.419935 4.267468 F 0.348881 3.571885 2.925490 F -0.952503 3.193471 0.549911 F -1.233717 0.723611 -0.452170 F 2.725926 -1.669977 0.356812 F 4.502128 -3.377495 1.402371 F 3.655186 -5.474331 2.943178 F 0.986928 -5.813137 3.406975 F -0.794181 -4.123390 2.389474 F -2.810072 -0.504511 1.585954 F -5.220993 -1.483409 1.102111 F -5.535160 -3.846337 -0.226332 F -3.323093 -5.223104 -1.071660 F -0.880227 -4.258347 -0.599618 C -0.876047 -1.313127 -2.553843 C 1.294116 -2.865646 -2.100178 C -0.355885 -2.073627 -3.774121 H -1.752800 -1.795882 -2.100676 H -1.108784 -0.258510 -2.742714 C 0.373338 -3.313084 -3.243968 H 2.283930 -2.541931 -2.448797 H 1.418264 -3.625740 -1.320137 H 0.336769 -1.435031 -4.346590 H -1.190897 -2.339022 -4.440884 H 0.959992 -3.812888 -4.029466 H -0.358584 -4.037117 -2.859660 S 0.521856 -1.351658 -1.351502 47 BCF-THT-III B -0.365749 -1.351022 0.420235 C 1.187731 -1.453738 0.870080 C 2.080919 -0.419127 0.559254 C 1.762252 -2.524911 1.566303 C 3.439585 -0.434951 0.861840 C 3.121463 -2.583726 1.895671 C 3.967296 -1.534923 1.540729 C -1.299540 -2.649407 0.726642 C -2.404308 -2.631889 1.586736 C -1.036871 -3.893149 0.139151 C -3.207623 -3.753339 1.823150 C -1.806880 -5.034495 0.343001 C -2.910727 -4.960855 1.195157 C -1.095835 0.058412 0.777593 C -0.703313 0.872508 1.846845 C -2.241003 0.494949 0.102709 C -1.364652 2.053079 2.194954 C -2.933004 1.664984 0.411582 C -2.487986 2.453816 1.472673 F -2.734049 -0.240243 -0.912668 F -4.010505 2.026674 -0.284703 F -3.129378 3.573929 1.793121 F -0.939708 2.789717 3.221720 F 0.336526 0.536848 2.624373 F 1.629818 0.676214 -0.079760 F 4.228682 0.581572 0.515432 F 5.260064 -1.578804 1.846755 F 3.609648 -3.633099 2.556543 F 1.027611 -3.565874 1.979006 F -2.748928 -1.523628 2.258623 F -4.249961 -3.674871 2.650959 F -3.664254 -6.035259 1.411153 F -1.497452 -6.187108 -0.251016 F 0.040952 -4.030697 -0.656990 C 1.301592 -2.006515 -2.378419 C -0.119376 0.295910 -2.460789 C 1.628589 -1.083763 -3.552855 H 2.041502 -1.934335 -1.569654 H 1.175600 -3.060660 -2.652052 C 1.271439 0.338921 -3.108790 H -0.934664 0.410863 -3.187541 H -0.247061 1.030084 -1.657006 H 1.033133 -1.373189 -4.434340 H 2.691405 -1.177084 -3.824880 H 1.275629 1.046703 -3.951407 H 2.005318 0.691107 -2.370588 S -0.329612 -1.410041 -1.757165 47 BCF-THT-IV B -0.436012 -2.212322 0.466023 C 0.657043 -3.030685 1.377263 C 1.004629 -2.464096 2.611927 C 1.196164 -4.298315 1.148216 C 1.841587 -3.078112 3.541692 C 2.040137 -4.954131 2.050563 C 2.364908 -4.341037 3.258089 C -1.885380 -2.490488 1.177788 C -2.482491 -3.759511 1.148735 C -2.525546 -1.567842 2.019102 C -3.660965 -4.082011 1.824274 C -3.703214 -1.850855 2.716138 C -4.280301 -3.115637 2.615214 C -0.053208 -0.662618 0.136757 C -1.008268 0.281149 -0.267133 C 1.261668 -0.177727 0.150548 C -0.707814 1.596748 -0.617801 C 1.612089 1.130623 -0.192492 C 0.618432 2.028114 -0.579834 F 2.290631 -0.978601 0.481829 F 2.884646 1.523079 -0.155822 F 0.930182 3.276627 -0.911965 F -1.669865 2.436683 -0.996471 F -2.305424 -0.063397 -0.372097 F 0.519637 -1.257740 2.946061 F 2.139140 -2.477718 4.694233 F 3.164327 -4.949542 4.130624 F 2.528517 -6.161329 1.763359 F 0.930255 -4.970168 0.012446 F -1.904826 -4.762546 0.468138 F -4.181109 -5.307005 1.736871 F -5.400419 -3.400194 3.274343 F -4.270693 -0.923455 3.488703 F -2.021081 -0.343532 2.221343 C 1.262398 -2.931051 -2.059395 C -1.159834 -1.890191 -2.651385 C 1.155182 -2.208530 -3.404113 H 1.832120 -2.358806 -1.317543 H 1.680647 -3.941987 -2.124387 C 0.037035 -1.169723 -3.276019 H -1.889317 -1.242202 -2.156587 H -1.689129 -2.511454 -3.387438 H 0.909307 -2.931502 -4.198508 H 2.121369 -1.748154 -3.661271 H -0.243190 -0.739682 -4.249659 H 0.362144 -0.341410 -2.629381 S -0.476810 -3.105819 -1.430080 47 BCF-THT-V B -0.150138 -1.769748 0.603796 C -0.942927 -3.176326 0.373848 C -1.103943 -3.921939 -0.791469 C -1.618247 -3.686620 1.491687 C -1.872829 -5.088142 -0.864159 C -2.393630 -4.844131 1.471304 C -2.524632 -5.553217 0.275473 C -1.279445 -0.624888 0.887387 C -1.552432 -0.061552 2.141011 C -2.172826 -0.257668 -0.125181 C -2.594231 0.843927 2.360540 C -3.222438 0.645123 0.046198 C -3.433986 1.203107 1.306746 C 1.101596 -1.850744 1.652443 C 1.712876 -0.693999 2.162285 C 1.711391 -3.052122 2.037246 C 2.801812 -0.714062 3.032681 C 2.801739 -3.118363 2.908912 C 3.350853 -1.940008 3.411479 F 1.284836 -4.230548 1.554225 F 3.331242 -4.294830 3.244415 F 4.392663 -1.982448 4.236084 F 3.327918 0.420622 3.493383 F 1.257764 0.516239 1.810424 F -0.501219 -3.555786 -1.937893 F -1.982484 -5.754573 -2.014130 F -3.260598 -6.660907 0.227356 F -3.006182 -5.277236 2.573185 F -1.516005 -3.049125 2.669757 F -0.828058 -0.382192 3.219796 F -2.800578 1.355952 3.574461 F -4.429699 2.063188 1.503124 F -4.026366 0.960380 -0.969790 F -2.049602 -0.802196 -1.349903 C 2.248330 -2.434595 -1.329780 C 0.465877 -0.899851 -2.690881 C 2.212315 -2.629914 -2.855115 H 3.222643 -2.083946 -0.965193 H 1.958255 -3.330287 -0.766978 C 1.687500 -1.338697 -3.499519 H 0.184009 0.151245 -2.833257 H -0.402141 -1.543400 -2.854401 H 1.537862 -3.462074 -3.096719 H 3.214669 -2.889491 -3.226575 H 1.406036 -1.492085 -4.553020 H 2.460367 -0.552650 -3.474800 S 1.045584 -1.069421 -0.943986 43 TSCF3/TMSNTf2 S -8.315215 -2.980592 7.003981 S -10.003807 -1.793553 5.058163 Si -10.204143 1.663187 6.145053 F -9.241275 -3.993892 9.259832 F -10.705649 -2.826894 8.164926 F -9.121820 -1.829195 9.258853 F -8.416549 -3.335617 3.602806 F -9.968964 -2.324980 2.473205 F -8.237124 -1.219967 3.169685 O -8.588833 -4.293041 6.410230 O -6.978223 -2.674928 7.511942 O -11.005199 -2.849773 5.215915 O -10.493969 -0.415256 4.808025 N -8.831124 -1.702331 6.145596 C -8.416617 1.572064 5.607021 C -11.467483 2.325157 4.934261 C -10.828184 0.617687 7.562338 C -9.424802 -2.900970 8.522323 C -9.092096 -2.199787 3.466221 H -8.137346 2.491928 5.070883 H -7.767334 1.477931 6.491402 H -8.236643 0.712020 4.953636 H -12.228818 2.914780 5.468892 H -10.989029 2.974410 4.184289 H -11.963578 1.501365 4.404794 H -11.374591 1.253198 8.276433 H -11.498242 -0.174340 7.202873 H -9.985817 0.142668 8.083866 F -9.646464 5.252270 8.134885 C -6.681708 5.208719 4.118632 C -8.766609 5.116966 5.945290 C -7.436623 5.030983 6.407978 H -7.233225 4.916519 7.473787 C -9.844404 5.012397 6.890594 C -6.397676 5.079398 5.486020 H -5.363419 5.010471 5.827215 C -9.056227 5.249152 4.570860 H -10.090154 5.316901 4.230214 C -8.004753 5.297303 3.662273 H -8.211812 5.401859 2.595966 F -10.025772 3.179339 7.140526 H -5.860733 5.240211 3.398710 F -11.055182 5.236854 6.523735 TSCF3/TMSNTf2-II 43 S -16.229323 -2.600124 10.940625 S -15.449263 -2.802674 8.218163 Si -12.140930 -1.339951 8.294234 F -17.448447 -0.460245 11.898117 F -16.621918 -0.175659 9.912985 F -15.311020 -0.205578 11.639374 F -16.525616 -5.170349 8.706579 F -15.958184 -4.853114 6.636454 F -14.437994 -5.251739 8.131227 O -17.567221 -3.078560 10.578704 O -15.621688 -3.019319 12.203358 O -16.714617 -2.222076 7.764252 O -14.221090 -2.441778 7.467022 N -15.103351 -2.719470 9.779055 C -11.666372 -1.384371 6.486436 C -13.311378 0.002506 8.867542 C -11.920814 -2.912438 9.276554 C -16.415003 -0.733830 11.105149 C -15.604811 -4.648690 7.902893 H -11.677571 -0.373688 6.049948 H -10.649479 -1.793175 6.377560 H -12.365319 -2.014015 5.920351 H -13.535356 -0.123292 9.936369 H -12.856104 0.994062 8.724582 H -14.258405 -0.025604 8.314964 H -10.848096 -3.144446 9.366172 H -12.352413 -2.796207 10.281195 H -12.436569 -3.747375 8.785933 C -9.796567 1.880543 4.694334 C -9.716564 1.357557 7.417365 C -8.772532 0.745167 6.566465 H -8.025584 0.063786 6.976537 C -9.699553 1.046815 8.821559 C -8.818837 1.013597 5.203576 H -8.097499 0.545449 4.531731 C -10.700180 2.231735 6.908859 H -11.420828 2.701567 7.579506 C -10.731332 2.490623 5.542963 H -11.484112 3.167068 5.134881 F -10.620520 -0.561267 8.928252 H -9.830490 2.083470 3.621536 F -8.639827 0.578550 9.372401 F -10.441809 1.701930 9.640061 TSCF3/TMSNTf2-III 43 S -20.042815 2.253624 -6.515575 S -17.772864 3.489344 -5.335353 Si -17.046811 6.530673 -7.409420 F -22.257190 3.647589 -6.923015 F -20.538393 4.872443 -6.420563 F -20.710228 4.008426 -8.399314 F -17.710877 1.142799 -4.138594 F -16.225218 2.551383 -3.417791 F -15.948729 1.565841 -5.329315 O -20.587656 1.980306 -5.182501 O -20.240359 1.284228 -7.592574 O -18.626763 4.058729 -4.284499 O -16.697348 4.343696 -5.885284 N -18.498795 2.747182 -6.559026 C -15.209591 6.629904 -7.109587 C -18.218155 7.078936 -6.065428 C -17.664307 5.331877 -8.689148 C -20.947528 3.799921 -7.103312 C -16.847085 2.087806 -4.499966 H -14.960656 7.472689 -6.446779 H -14.683344 6.773829 -8.066396 H -14.854166 5.701547 -6.643568 H -19.170512 7.399872 -6.515378 H -17.791288 7.924344 -5.504514 H -18.427064 6.271438 -5.353911 H -17.046900 5.405495 -9.598202 H -18.708213 5.561815 -8.950791 H -17.626916 4.303903 -8.305717 C -13.626736 10.421886 -6.072047 C -15.953493 10.038397 -7.534154 C -14.711004 10.034677 -8.198281 H -14.665225 9.872518 -9.276289 C -17.158223 9.782710 -8.293808 C -13.549299 10.228636 -7.458580 H -12.579225 10.225180 -7.958586 C -16.036927 10.237408 -6.142059 H -17.006971 10.247591 -5.643390 C -14.865302 10.431233 -5.416187 H -14.914827 10.589637 -4.337579 F -17.211247 8.015760 -8.474421 H -12.710421 10.568524 -5.495775 F -18.308144 9.943455 -7.734654 F -17.182157 10.032896 -9.556069 TSCHF2/TMSNTf2 43 S -7.798456 -0.554296 7.071632 S -9.086359 0.899836 5.005592 Si -9.677643 4.175242 6.453060 F -9.145819 -1.882797 8.913976 F -10.382187 -0.565788 7.713376 F -9.090249 0.258697 9.246870 F -7.184004 -0.403857 3.705981 F -8.502398 0.760079 2.435220 F -6.990393 1.753469 3.631973 O -7.903256 -1.766415 6.253379 O -6.605976 -0.325714 7.886704 O -10.060495 -0.173284 4.800207 O -9.565622 2.296822 4.857925 N -8.162637 0.835173 6.312885 C -7.820898 4.247227 6.245484 C -10.774755 4.889739 5.115058 C -10.440925 2.931489 7.620795 C -9.202236 -0.693646 8.318363 C -7.853998 0.738418 3.597055 H -7.540075 5.123525 5.641143 H -7.344372 4.346081 7.233468 H -7.435035 3.345329 5.758845 H -11.578736 5.490630 5.569227 H -10.196049 5.537923 4.438650 H -11.225643 4.087583 4.516193 H -11.126830 3.443867 8.313045 H -10.998965 2.164885 7.066753 H -9.658857 2.427224 8.205084 F -9.175388 7.389720 8.993603 C -6.380243 8.050953 4.927311 C -8.396618 7.632672 6.794489 C -7.045252 7.552117 7.197245 H -6.800373 7.317424 8.234277 C -9.453374 7.379574 7.729416 C -6.042526 7.765659 6.259275 H -4.994164 7.704302 6.556654 C -8.734283 7.928364 5.455698 H -9.782377 7.991136 5.155243 C -7.720861 8.135117 4.525388 H -7.969158 8.362313 3.487187 F -9.801576 5.574796 7.615995 H -5.587162 8.210860 4.193142 H -10.494840 7.620049 7.496597 TSCHF2/TMSNTf2-II 43 S -18.485726 2.521938 -6.513968 S -16.196119 3.719615 -5.332678 Si -15.402208 6.739462 -7.438600 F -20.674627 3.948116 -6.943331 F -18.942092 5.148236 -6.428769 F -19.109926 4.282317 -8.407109 F -16.197087 1.378487 -4.122116 F -14.686255 2.757628 -3.396778 F -14.416290 1.755208 -5.300443 O -19.039399 2.266070 -5.181007 O -18.698628 1.550592 -7.586407 O -17.043053 4.315969 -4.291176 O -15.098048 4.543993 -5.882286 N -16.932717 2.986070 -6.555783 C -13.565592 6.799169 -7.126359 C -16.568659 7.317817 -6.103609 C -16.035301 5.534493 -8.704708 C -19.361181 4.080509 -7.112511 C -15.309601 2.302086 -4.481579 H -13.301969 7.643749 -6.471677 H -13.028466 6.919177 -8.080374 H -13.237380 5.867424 -6.647178 H -17.508078 7.665818 -6.560207 H -16.122641 8.150494 -5.538900 H -16.803893 6.514186 -5.395756 H -15.410566 5.580429 -9.610583 H -17.072923 5.780241 -8.976737 H -16.020798 4.512315 -8.304287 C -11.943622 10.586145 -6.071067 C -14.273902 10.205563 -7.540591 C -13.024725 10.171709 -8.192155 H -12.972767 9.985443 -9.267178 C -15.463994 9.948632 -8.319115 C -11.861447 10.361420 -7.452043 H -10.888618 10.332660 -7.946147 C -14.356575 10.439210 -6.152693 H -15.330093 10.476806 -5.661759 C -13.186766 10.630392 -5.423518 H -13.238556 10.813706 -4.348730 F -15.533484 8.212266 -8.526452 H -11.028607 10.732136 -5.492325 F -16.614714 10.155994 -7.748847 H -15.470843 10.110965 -9.401333 43 TSCHF2/TMSNTf2-III S -16.310809 -2.354322 10.352947 S -14.840864 -1.789371 7.988394 Si -13.619042 1.753223 8.369924 F -18.287596 -0.751584 11.087457 F -16.998549 0.099858 9.564298 F -16.318596 -0.013767 11.617625 F -15.066733 -4.409258 7.815661 F -14.167012 -3.475143 6.075368 F -13.015758 -3.710053 7.897771 O -17.328542 -3.042640 9.553565 O -15.965296 -2.861552 11.680327 O -16.096558 -1.572029 7.257657 O -13.712547 -0.876699 7.702923 N -14.934111 -1.988839 9.578560 C -12.065498 1.607650 7.352396 C -15.265439 1.852535 7.501854 C -13.575944 1.131289 10.120865 C -17.026920 -0.639701 10.676584 C -14.225783 -3.463449 7.405429 H -12.173875 2.118880 6.384005 H -11.218327 2.059224 7.891735 H -11.845619 0.547862 7.167067 H -15.991365 2.371674 8.147331 H -15.167883 2.410920 6.558223 H -15.661916 0.856683 7.270269 H -12.652341 1.471381 10.615079 H -14.440414 1.515167 10.683060 H -13.615444 0.034158 10.140534 C -11.468915 4.569992 4.413287 C -12.763437 4.957170 6.844195 C -11.356301 5.012797 6.788396 H -10.782558 5.197979 7.698037 C -13.451552 5.105039 8.108475 C -10.714776 4.819528 5.569405 H -9.625181 4.856624 5.514487 C -13.521293 4.717396 5.681257 H -14.612191 4.689151 5.730616 C -12.868109 4.523109 4.466206 H -13.446344 4.336575 3.559447 F -13.490309 3.532210 8.830913 H -10.959294 4.413240 3.459754 H -14.536670 5.249761 8.132899 F -12.820706 5.717048 9.067990 TSCHF2/TMSNTf2-IV 43 S -13.912077 -1.411534 -4.774763 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-18.502026 1.491570 22.347857 H -17.034328 1.374517 20.756984 H -20.156368 1.701324 23.711792 H -17.814887 1.153503 23.126874 C -20.063899 5.597413 20.200077 H -19.723361 6.633617 20.330342 H -19.733046 5.023072 21.080819 H -19.534147 5.179402 19.332740 C -22.148522 2.581013 22.158504 H -22.919526 2.236467 21.456006 H -22.360401 2.125654 23.135492 H -22.273824 3.670519 22.262928 C -23.400868 2.865275 16.504117 H -24.389011 2.962095 16.032441 H -23.164685 3.824251 16.982394 H -22.662189 2.714258 15.700082 H -20.492917 4.472488 17.368988 P -16.704133 0.355605 14.579478 C -15.739653 1.403506 13.446502 C -16.129970 1.578592 12.092649 C -14.534258 1.956143 13.919926 C -15.287095 2.348210 11.274667 C -13.720431 2.712431 13.081164 H -14.211386 1.778222 14.945567 C -14.104651 2.914141 11.753469 H -15.568007 2.497564 10.229528 H -12.788419 3.132847 13.463374 H -13.475980 3.504045 11.082672 C -16.065004 0.380030 16.290124 C -15.858851 -0.885660 16.881221 C -15.860618 1.561606 17.048818 C -15.431412 -1.000584 18.200495 H -16.030784 -1.794654 16.304458 C -15.415951 1.407962 18.373635 C -15.201340 0.156689 18.948378 H -15.274013 -1.988990 18.636118 H -15.239609 2.309531 18.966040 H -14.855518 0.084400 19.982180 C -16.685081 -1.358545 13.947039 C -17.901327 -2.040782 13.745982 C -15.451341 -1.996235 13.640758 C -17.920050 -3.339658 13.241225 H -18.860205 -1.575865 13.970439 C -15.507298 -3.304502 13.134699 C -16.715347 -3.972567 12.932133 H -18.874212 -3.848610 13.092787 H -14.569128 -3.810296 12.894672 H -16.713454 -4.990060 12.534960 C -17.383952 0.992559 11.489303 H -17.329240 1.019967 10.392940 H -17.544993 -0.055018 11.781002 H -18.280118 1.567416 11.774496 C -14.098234 -1.351602 13.815547 H -13.890068 -0.643202 12.998519 H -14.008645 -0.797924 14.760351 H -13.307990 -2.114362 13.804697 C -16.076056 2.977683 16.568225 H -15.156141 3.566086 16.708387 H -16.364782 3.061779 15.518057 H -16.865017 3.461769 17.164567 99 α-[PTol-2-PTol]2+ C -20.931452 -1.764034 17.481641 C -20.469288 -0.538607 17.956115 C -20.565770 0.623277 17.172550 C -21.145525 0.520580 15.897058 C -21.609440 -0.706807 15.417543 C -21.502527 -1.853292 16.207743 H -20.843701 -2.651077 18.111739 H -20.031946 -0.502580 18.950892 H -21.245049 1.400452 15.260360 H -22.056074 -0.760997 14.422662 H -21.865076 -2.813539 15.834392 C -20.050835 1.977445 17.647240 P -20.883355 2.597528 19.265635 C -21.720819 4.181634 18.917051 C -21.440977 4.908861 17.746516 C -22.701500 4.654435 19.829915 C -22.105473 6.097655 17.458272 C -23.356673 5.854024 19.509147 C -23.072544 6.570969 18.347117 H -21.866379 6.644068 16.544328 H -24.110072 6.235359 20.202315 H -23.605716 7.500791 18.137665 C -22.207957 1.394928 19.649710 C -22.138898 0.644123 20.838397 C -23.316516 1.244836 18.772869 C -23.117340 -0.296474 21.148829 H -21.330731 0.799709 21.550377 C -24.276049 0.276908 19.109947 C -24.182892 -0.493296 20.268804 H -23.043599 -0.867984 22.075951 H -25.127654 0.135189 18.440418 H -24.952557 -1.235900 20.490601 C -19.678448 2.687757 20.633722 C -19.091878 1.442716 20.945854 C -19.284880 3.852016 21.349023 C -18.126701 1.313081 21.938001 H -19.398959 0.546424 20.410484 C -18.295215 3.684752 22.336608 C -17.721615 2.451952 22.636195 H -17.695225 0.334018 22.155337 H -17.965190 4.569398 22.885229 H -16.956286 2.381790 23.411893 C -19.841300 5.244261 21.181045 H -20.789361 5.352434 21.730466 H -19.138131 5.975793 21.598784 H -20.029145 5.520602 20.140975 C -23.592376 2.092542 17.553916 H -24.154395 2.995556 17.843676 H -22.700214 2.436302 17.024030 H -24.202443 1.533322 16.832051 H -20.434993 2.721492 16.946455 P -18.152476 2.082025 17.322054 C -17.337099 3.294277 18.440435 C -16.177586 3.179206 19.250828 C -17.959909 4.554563 18.292551 C -15.768199 4.339182 19.940363 C -17.509187 5.683396 18.962393 H -18.800640 4.673735 17.611056 C -16.410516 5.566505 19.815784 H -14.885585 4.266772 20.579757 H -18.013664 6.639900 18.817366 H -16.039993 6.434393 20.365207 C -17.562951 0.362945 17.356398 C -17.505180 -0.489494 16.218003 C -17.322197 -0.160457 18.639781 C -17.164462 -1.833468 16.450657 C -16.997711 -1.497416 18.835480 H -17.393807 0.487532 19.506154 C -16.913572 -2.339547 17.725534 H -17.108953 -2.506449 15.592325 H -16.816506 -1.871852 19.844488 H -16.660276 -3.394652 17.849979 C -17.953381 2.856396 15.670198 C -16.636700 3.046938 15.167176 C -19.055541 3.313234 14.926817 C -16.500798 3.687742 13.926131 C -18.887491 3.949745 13.698070 H -20.078382 3.176552 15.269556 C -17.600611 4.137194 13.194808 H -15.495453 3.833282 13.524647 H -19.763061 4.290241 13.142534 H -17.449877 4.631036 12.232505 C -17.783578 -0.081561 14.792673 H -18.726786 0.468009 14.690075 H -16.985598 0.557588 14.387498 H -17.849989 -0.973697 14.156669 C -15.386759 2.600958 15.883029 H -15.171214 3.250059 16.745426 H -15.455253 1.566700 16.250562 H -14.520975 2.651030 15.209820 C -15.290495 1.969138 19.417064 H -15.595135 1.367802 20.287853 H -15.274762 1.313905 18.541875 H -14.259256 2.298288 19.604802 H -20.702242 4.567015 17.024825 C -23.085890 3.960601 21.115125 H -23.860768 3.198804 20.934000 H -22.245937 3.452534 21.606856 H -23.496032 4.689456 21.827525 99 ortho-[PTol-2-PTol]2+ C -20.612213 -1.621778 17.735042 C -20.224924 -0.367383 18.078064 C -19.925240 0.640250 17.065827 C -19.687486 0.126051 15.644472 C -20.244908 -1.239847 15.363153 C -20.695305 -2.041082 16.347152 H -20.875143 -2.336202 18.518075 H -20.180415 -0.092883 19.129915 H -20.176507 0.819444 14.948002 H -20.282136 -1.553247 14.318460 H -21.107867 -3.023772 16.111301 C -19.916371 1.980721 17.307706 P -20.298357 2.809843 18.860648 C -20.785906 4.523511 18.473186 C -19.870916 5.445086 17.900163 C -22.087752 4.931176 18.818409 C -20.330699 6.752186 17.672345 C -22.512105 6.236658 18.579696 H -22.777302 4.231880 19.291942 C -21.628617 7.148974 17.999315 H -19.642269 7.478420 17.233520 H -23.525566 6.536556 18.853109 H -21.945500 8.176874 17.808635 C -21.668085 1.934336 19.687713 C -21.492514 1.547483 21.030368 C -22.853441 1.592312 18.986591 C -22.485883 0.835337 21.699207 H -20.568117 1.784569 21.557482 C -23.835627 0.878739 19.692458 C -23.663187 0.502340 21.024871 H -22.337073 0.543042 22.740431 H -24.758950 0.608675 19.173944 H -24.451019 -0.055134 21.536675 C -18.820161 2.798725 19.928107 C -17.765657 1.940365 19.566437 C -18.715156 3.630800 21.073062 C -16.605026 1.873881 20.334146 H -17.835087 1.331224 18.667169 C -17.532618 3.539758 21.824776 C -16.491713 2.678511 21.470184 H -15.799581 1.197925 20.039151 H -17.429588 4.167067 22.713442 H -15.588932 2.640309 22.084031 C -18.447781 5.102734 17.537709 H -17.888796 6.010060 17.274444 H -17.911812 4.606861 18.358598 H -18.394208 4.441879 16.661862 C -19.776923 4.616776 21.497116 H -20.796897 4.218858 21.404630 H -19.628641 4.914457 22.544096 H -19.731088 5.528230 20.879551 C -23.105365 1.897904 17.529291 H -24.179910 2.044076 17.349513 H -22.582545 2.791600 17.166516 H -22.778415 1.050970 16.903567 H -19.740979 2.677571 16.487894 P -17.892374 0.328718 14.997106 C -17.769465 -0.455888 13.350460 C -17.683271 -1.868498 13.210097 C -17.665448 0.373506 12.215519 C -17.571449 -2.380120 11.905955 C -17.538939 -0.167647 10.939376 H -17.645082 1.456680 12.319421 C -17.508171 -1.554972 10.783741 H -17.515938 -3.463610 11.776810 H -17.459081 0.494958 10.075567 H -17.416995 -1.996840 9.788957 C -17.579172 2.127905 14.872944 C -16.419972 2.604648 15.520760 C -18.379183 3.020936 14.103379 C -15.992553 3.920464 15.355362 H -15.831602 1.940323 16.152436 C -17.913581 4.337800 13.953897 C -16.731182 4.783732 14.545734 H -15.085715 4.261996 15.857497 H -18.504741 5.032254 13.352771 H -16.403602 5.814238 14.393166 C -16.619266 -0.417405 16.065550 C -16.976318 -0.885311 17.341116 C -15.275426 -0.533752 15.610299 C -16.028846 -1.447640 18.194024 H -18.007066 -0.839554 17.679405 C -14.345851 -1.101929 16.496549 C -14.703884 -1.551477 17.768434 H -16.331800 -1.802401 19.180801 H -13.306912 -1.191426 16.171006 H -13.945670 -1.986395 18.423402 C -17.600531 -2.855796 14.350433 H -17.988396 -3.835054 14.036704 H -16.547751 -2.995318 14.647263 H -18.147796 -2.556333 15.248889 C -14.787330 -0.115974 14.243281 H -15.019865 -0.888274 13.492717 H -15.232365 0.821652 13.887045 H -13.696978 0.016694 14.255149 C -19.715700 2.685532 13.477409 H -19.802922 1.653171 13.117119 H -20.533655 2.865714 14.196769 H -19.908506 3.340527 12.616883 15 1bGD3BJ/PCM F -0.553598 1.720183 3.014711 C -4.824636 -0.032593 1.163523 C -2.254744 0.288897 2.201824 C -2.857057 1.338277 1.497921 H -2.323499 2.280311 1.362095 C -0.848069 0.441840 2.713589 C -4.143025 1.174353 0.979417 H -4.615227 1.993082 0.432359 C -2.935061 -0.919969 2.390031 H -2.461892 -1.730541 2.946541 C -4.220794 -1.077921 1.869227 H -4.753798 -2.019438 2.017624 F 0.063087 0.041531 1.800486 H -5.831141 -0.157972 0.758001 F -0.628655 -0.290715 3.821247 34 BCFGD3BJ/PCM B 3.929518 -0.776928 -0.459892 C 3.018743 0.229038 -1.242336 C 2.413578 1.328941 -0.614319 C 2.758053 0.085113 -2.614117 C 1.593287 2.228022 -1.291789 C 1.957942 0.974092 -3.328089 C 1.369854 2.049375 -2.658675 C 4.882376 -0.255798 0.668815 C 5.547058 0.976922 0.571764 C 5.123675 -0.992859 1.839003 C 6.405234 1.452137 1.560712 C 5.961150 -0.541700 2.856509 C 6.608238 0.687284 2.711373 C 3.886524 -2.303947 -0.806095 C 2.693098 -2.953669 -1.158606 C 5.038122 -3.106346 -0.781059 C 2.633195 -4.312669 -1.458346 C 5.019527 -4.463963 -1.092054 C 3.806609 -5.069205 -1.427842 F 1.542298 -2.276586 -1.193784 F 1.478380 -4.893096 -1.771202 F 3.769166 -6.361039 -1.718004 F 6.136745 -5.184927 -1.071981 F 6.223828 -2.573531 -0.473961 F 4.522042 -2.169963 2.029955 F 6.149771 -1.264113 3.956930 F 7.414708 1.127623 3.665370 F 7.028884 2.618363 1.421677 F 5.393295 1.741834 -0.512356 F 2.589583 1.538946 0.692992 F 1.025057 3.247985 -0.655251 F 0.599471 2.899841 -3.320265 F 1.749645 0.810782 -4.631296 F 3.303993 -0.921784 -3.301348 41 TPPyGD3BJ/PCM C -1.312987 0.364179 0.078653 C -0.443899 1.419546 -0.231034 C 0.655122 1.192004 -1.074771 N 0.915428 -0.024506 -1.572237 C 0.110662 -1.055080 -1.280268 C -1.023806 -0.893343 -0.469043 H -0.605337 2.401594 0.210652 H -1.698314 -1.729684 -0.292390 H 1.728440 -1.490619 -3.375374 C 1.599616 2.283821 -1.440735 C 2.871970 1.962839 -1.947416 C 1.256791 3.640723 -1.302292 C 3.776864 2.966352 -2.293904 C 2.161300 4.645111 -1.652593 C 3.426180 4.312814 -2.147295 H 3.135557 0.910746 -2.058413 H 0.268120 3.923676 -0.937474 H 4.763264 2.696988 -2.679443 H 1.873248 5.693406 -1.543841 H 4.133891 5.099314 -2.419878 C -2.494472 0.570106 0.952176 C -2.935497 -0.447016 1.818249 C -3.200509 1.786761 0.933395 C -4.046185 -0.252750 2.641187 C -4.313640 1.979425 1.753403 C -4.740270 0.960862 2.611319 H -2.389147 -1.391107 1.865716 H -2.889905 2.581563 0.252338 H -4.367321 -1.051412 3.313928 H -4.854511 2.927966 1.717259 H -5.610499 1.112284 3.254151 C 0.463068 -2.373110 -1.876973 C 1.332943 -2.426903 -2.980959 C -0.044452 -3.580367 -1.364448 C 1.675740 -3.648226 -3.561273 C 0.301706 -4.803098 -1.943101 C 1.161065 -4.842586 -3.045395 H -0.699925 -3.574655 -0.492077 H 2.347524 -3.669242 -4.422926 H -0.097595 -5.730561 -1.525849 H 1.430530 -5.799657 -3.498339 90 TSGD3BJ/PCM-1 C -0.854934 1.853278 -2.215568 C -1.909449 0.931467 -2.177621 C -0.487313 2.364963 -0.965244 B -0.049204 2.181203 -3.586390 C -2.569417 0.564876 -1.001219 C -1.129548 2.045219 0.227988 F -2.335126 0.319256 -3.290759 F 0.567214 3.190120 -0.848508 C -0.848876 1.853082 -4.960301 C 0.677202 3.623863 -3.757601 C -2.178751 1.129164 0.209621 F -3.553913 -0.333710 -1.026940 F -0.727740 2.578083 1.381507 C -1.935768 2.675385 -5.267311 C -0.552389 0.869978 -5.905696 C 1.736966 3.749740 -4.663490 C 0.287764 4.811186 -3.131635 F -2.781899 0.774396 1.341338 C -1.286028 0.716432 -7.086460 C -2.695777 2.552819 -6.428461 F -2.293855 3.639315 -4.400966 F 0.453845 0.003961 -5.727663 C 2.450914 4.931099 -4.854353 C 0.967361 6.019061 -3.303674 F 2.127905 2.694496 -5.395825 F -0.777240 4.846228 -2.321709 C -2.362891 1.560110 -7.350189 F -0.964197 -0.238273 -7.961946 F -3.726250 3.366197 -6.664536 C 2.063128 6.077322 -4.163666 F 3.491804 4.974381 -5.687941 F 0.570197 7.118778 -2.662042 F -3.069011 1.419419 -8.470607 F 2.728024 7.218071 -4.328840 C 3.456108 1.793537 -2.705098 C 3.465186 2.914382 -1.855443 C 4.359942 1.687230 -3.776802 C 4.368213 3.941631 -2.102355 H 2.765657 2.975177 -1.024914 C 5.257737 2.721549 -4.009797 H 4.344833 0.808979 -4.421618 C 5.255585 3.848123 -3.180660 H 4.382870 4.818600 -1.453504 H 5.964073 2.651132 -4.837260 C 2.473183 0.750740 -2.504350 F 1.828432 0.701376 -1.387412 F 2.691086 -0.424195 -3.000168 F 1.147471 1.112231 -3.558166 C 5.286231 -1.165134 -1.327323 C 5.372884 -2.465967 -1.846721 C 4.404420 -3.420336 -1.506388 C 3.373983 -3.016065 -0.646149 C 3.344005 -1.697025 -0.170405 N 4.287684 -0.804802 -0.506315 H 6.185704 -2.738060 -2.517367 H 2.622700 -3.732750 -0.317180 H 5.958657 4.660671 -3.373861 C 6.286472 -0.117050 -1.670311 C 7.166742 -0.255151 -2.758812 C 6.359336 1.054538 -0.896339 C 8.098416 0.741005 -3.054831 H 7.117818 -1.136859 -3.399105 C 7.292172 2.047402 -1.190319 H 5.666391 1.170610 -0.063514 C 8.168406 1.894923 -2.269500 H 8.768087 0.617306 -3.909051 H 7.331095 2.950908 -0.577691 H 8.895895 2.675784 -2.502813 C 2.246178 -1.216703 0.710278 C 2.467294 -0.137051 1.582986 C 0.959588 -1.778620 0.645257 C 1.434220 0.357670 2.378225 H 3.461274 0.310134 1.620137 C -0.077149 -1.275901 1.434420 H 0.752307 -2.589982 -0.054916 C 0.157786 -0.210572 2.307779 H 1.620159 1.198505 3.050266 H -1.079267 -1.703206 1.352963 H -0.657442 0.191821 2.911229 C 4.469949 -4.806218 -2.031157 C 3.292609 -5.521713 -2.315968 C 5.708024 -5.434496 -2.257643 C 3.351761 -6.824025 -2.814785 H 2.321118 -5.045751 -2.168670 C 5.766740 -6.738669 -2.751742 H 6.634227 -4.906840 -2.021567 C 4.588986 -7.437960 -3.033556 H 2.426581 -7.359798 -3.039381 H 6.737633 -7.213341 -2.911547 H 4.635155 -8.457889 -3.422148 49 TSGD3BJ/PCM-2 F -6.968578 2.462782 7.072920 C -11.471541 3.816438 5.390891 C -9.271017 2.957640 6.846515 C -10.563648 2.561738 7.243853 C -8.134791 2.504221 7.610147 C -11.660107 2.989618 6.504624 C -9.077277 3.781891 5.719454 H -8.073776 4.087891 5.430550 C -10.185405 4.211139 4.999534 H -10.051010 4.859539 4.132547 F -7.762370 3.812731 8.819647 B -7.691815 5.365629 9.216015 C -6.167206 5.792489 8.863375 C -5.289032 6.403158 9.763713 C -5.631233 5.545703 7.596600 C -3.964883 6.719922 9.443453 C -4.320073 5.838323 7.232939 C -3.475205 6.430844 8.172415 C -8.862908 6.055773 8.330826 C -8.687087 7.091849 7.411208 C -10.178432 5.598745 8.463597 C -9.731048 7.614674 6.641411 C -11.248571 6.097633 7.727688 C -11.019652 7.111727 6.798651 C -8.000637 5.311453 10.807055 C -8.829108 6.217703 11.471101 C -7.395880 4.347331 11.619372 C -9.083693 6.158012 12.842737 C -7.625581 4.248540 12.991470 C -8.479224 5.162795 13.608207 F -6.413704 5.024161 6.634189 F -3.872366 5.575234 6.004671 F -2.218070 6.724969 7.852435 F -3.170645 7.298841 10.344583 F -5.679761 6.740053 11.001142 F -7.486623 7.655845 7.217993 F -9.501984 8.590685 5.762148 F -12.022965 7.583043 6.062934 F -12.479219 5.606778 7.884375 F -10.459612 4.618014 9.338123 F -9.418469 7.224721 10.806207 F -6.521589 3.473633 11.097878 F -7.026076 3.303923 13.718921 F -8.708652 5.089411 14.917597 F -9.890460 7.046899 13.425455 H -12.666023 2.692431 6.803295 H -10.698458 1.930095 8.121547 H -12.338109 4.166968 4.826572 F -8.294914 1.593096 8.504127 15 1bGD3/SMD F -0.580412 1.711025 3.082747 C -4.826342 -0.032376 1.163985 C -2.255394 0.285441 2.202442 C -2.850229 1.332288 1.485993 H -2.310023 2.270113 1.339820 C -0.848484 0.442653 2.714342 C -4.137124 1.169900 0.967636 H -4.604563 1.986004 0.411185 C -2.941456 -0.918888 2.401857 H -2.471887 -1.727333 2.965574 C -4.228709 -1.074668 1.880888 H -4.766926 -2.012640 2.038172 F 0.067821 0.116185 1.774901 H -5.833993 -0.156111 0.758733 F -0.600389 -0.342268 3.780320 34 BCFGD3/SMD B 3.920796 -0.779930 -0.451635 C 3.008778 0.229102 -1.238237 C 2.409260 1.335228 -0.614724 C 2.746119 0.085206 -2.610174 C 1.592285 2.236749 -1.293774 C 1.949664 0.976458 -3.326187 C 1.367721 2.056842 -2.660070 C 4.878478 -0.254129 0.677579 C 5.537249 0.982447 0.579463 C 5.136274 -0.991233 1.844899 C 6.404052 1.458774 1.560723 C 5.983323 -0.539821 2.854627 C 6.622865 0.692839 2.707346 C 3.880370 -2.311164 -0.800097 C 2.694083 -2.959890 -1.180976 C 5.028461 -3.119183 -0.754683 C 2.637605 -4.317778 -1.487639 C 5.013654 -4.475965 -1.071076 C 3.807439 -5.078155 -1.434796 F 1.543962 -2.280799 -1.245918 F 1.486772 -4.893563 -1.829601 F 3.772953 -6.370378 -1.730136 F 6.130592 -5.199430 -1.028420 F 6.211422 -2.594140 -0.417844 F 4.546623 -2.176015 2.038352 F 6.187425 -1.266433 3.951532 F 7.439172 1.134535 3.654526 F 7.020493 2.630285 1.417672 F 5.367965 1.754315 -0.499458 F 2.592572 1.554147 0.691821 F 1.030877 3.263402 -0.658439 F 0.600701 2.910676 -3.324399 F 1.739194 0.809843 -4.630337 F 3.283446 -0.928670 -3.297481 41 TPPyGD3/SMD C -1.328289 0.369709 0.055213 C -0.466021 1.428840 -0.264579 C 0.665474 1.190046 -1.062913 N 0.943259 -0.033951 -1.534345 C 0.141633 -1.067206 -1.238749 C -1.007842 -0.900124 -0.447567 H -0.677886 2.430844 0.106397 H -1.674269 -1.741006 -0.258130 H 1.816628 -1.549124 -3.301538 C 1.610185 2.286471 -1.430375 C 2.468578 2.131705 -2.536036 C 1.679667 3.486397 -0.696525 C 3.355319 3.145449 -2.903294 C 2.570937 4.498788 -1.061441 C 3.410850 4.335112 -2.168023 H 2.427369 1.204651 -3.109293 H 1.049623 3.632336 0.183012 H 4.007165 3.006223 -3.770023 H 2.612499 5.418910 -0.472467 H 4.106657 5.128489 -2.453630 C -2.542986 0.586839 0.885229 C -2.978038 -0.395414 1.795932 C -3.285919 1.778727 0.780958 C -4.117373 -0.191121 2.578164 C -4.427897 1.979925 1.560088 C -4.847783 0.996652 2.462641 H -2.406611 -1.319499 1.910612 H -2.981565 2.547100 0.066448 H -4.432865 -0.962352 3.285825 H -4.996106 2.908149 1.456758 H -5.740478 1.155475 3.073282 C 0.518377 -2.397646 -1.801849 C 1.412422 -2.473561 -2.887209 C 0.009506 -3.599532 -1.273141 C 1.775173 -3.706331 -3.432712 C 0.375881 -4.833431 -1.816687 C 1.258036 -4.893194 -2.900757 H -0.664918 -3.581454 -0.414957 H 2.465544 -3.740840 -4.279913 H -0.026549 -5.753928 -1.385458 H 1.543371 -5.858971 -3.326259 90 TSGD3/SMD-1 C 5.080723 -0.949898 -4.512788 C 3.824336 -1.295738 -3.996935 C 5.628798 0.220185 -3.971086 B 5.885587 -1.896246 -5.559722 C 3.147468 -0.531466 -3.041961 C 4.982203 1.021559 -3.033536 F 3.198979 -2.416621 -4.386429 F 6.863565 0.620056 -4.321546 C 4.989107 -2.990612 -6.362277 C 6.914572 -1.209191 -6.615528 C 3.728757 0.638178 -2.561234 F 1.962123 -0.925017 -2.571462 F 5.566409 2.123213 -2.559330 C 4.094651 -2.493070 -7.314544 C 5.037890 -4.381874 -6.254329 C 7.944831 -1.977667 -7.170297 C 6.822437 0.097754 -7.103575 F 3.109339 1.363205 -1.631902 C 4.251333 -5.226533 -7.045265 C 3.289237 -3.298110 -8.117046 F 3.982335 -1.161008 -7.473975 F 5.843958 -4.993071 -5.373658 C 8.896459 -1.469499 -8.053265 C 7.742646 0.641548 -8.002445 F 8.064024 -3.277258 -6.850265 F 5.824322 0.906476 -6.720552 C 3.372374 -4.684098 -7.979996 F 4.334825 -6.552565 -6.906693 F 2.449971 -2.762863 -9.006537 C 8.792900 -0.145057 -8.474086 F 9.893918 -2.236908 -8.499698 F 7.620484 1.903697 -8.420194 F 2.616927 -5.480792 -8.735726 F 9.685487 0.363189 -9.322016 C 9.248362 -2.190922 -4.150094 C 9.597451 -0.838734 -4.318490 C 10.020696 -3.219525 -4.719108 C 10.715742 -0.520314 -5.083241 H 8.993919 -0.056871 -3.860552 C 11.134471 -2.885266 -5.482148 H 9.735183 -4.262401 -4.576607 C 11.474716 -1.540023 -5.671228 H 10.996145 0.525392 -5.224764 H 11.738464 -3.673243 -5.935294 C 8.043860 -2.534073 -3.415885 F 7.469331 -1.626203 -2.696923 F 7.949474 -3.711058 -2.881972 F 6.815028 -2.793281 -4.583485 C 10.184712 -3.623445 -0.610698 C 9.894233 -4.839684 0.029084 C 8.714633 -4.973350 0.776609 C 7.864367 -3.859415 0.845694 C 8.216736 -2.674717 0.179453 N 9.354115 -2.572208 -0.524776 H 10.579516 -5.682025 -0.053234 H 6.957141 -3.897246 1.448843 H 12.345041 -1.284012 -6.280202 C 11.422413 -3.441331 -1.424626 C 12.166142 -4.536672 -1.904556 C 11.868774 -2.143922 -1.741297 C 13.323111 -4.340103 -2.662809 H 11.836512 -5.557784 -1.704303 C 13.026879 -1.948260 -2.494382 H 11.292618 -1.288330 -1.388063 C 13.761882 -3.045388 -2.957685 H 13.880787 -5.205660 -3.030095 H 13.354980 -0.931775 -2.726211 H 14.666646 -2.891866 -3.551626 C 7.333946 -1.474807 0.216732 C 7.888158 -0.186551 0.099075 C 5.936211 -1.599142 0.317993 C 7.070352 0.944403 0.101250 H 8.970590 -0.082697 0.006053 C 5.117429 -0.466593 0.309376 H 5.477657 -2.589192 0.368587 C 5.681423 0.809050 0.208589 H 7.516395 1.938047 0.008800 H 4.031265 -0.579600 0.357683 H 5.038551 1.691177 0.183983 C 8.386041 -6.241805 1.478790 C 7.052453 -6.681381 1.585961 C 9.400222 -7.032516 2.052984 C 6.743845 -7.874677 2.243426 H 6.250331 -6.096029 1.130578 C 9.089912 -8.222668 2.715240 H 10.440010 -6.701304 2.001609 C 7.760846 -8.649312 2.812033 H 5.703247 -8.203583 2.307038 H 9.890684 -8.816791 3.163441 H 7.518597 -9.581659 3.328846 49 TSGD3/SMD-2 F -2.342688 3.781466 6.558451 C -7.055883 4.598111 5.108885 C -4.700824 3.953991 6.428482 C -5.926473 3.453390 6.912912 C -3.483847 3.636136 7.137025 C -7.101205 3.776676 6.242933 C -4.649808 4.771090 5.280531 H -3.695235 5.151621 4.919649 C -5.834961 5.089786 4.626518 H -5.811585 5.727767 3.740838 F -3.280411 4.910790 8.394330 B -3.230696 6.472973 8.832123 C -1.737573 6.947703 8.403364 C -0.781569 7.471130 9.280115 C -1.311688 6.827675 7.076389 C 0.511740 7.823411 8.879729 C -0.034573 7.159084 6.632447 C 0.889567 7.662316 7.549154 C -4.469421 7.137861 8.019292 C -4.389574 8.247543 7.174492 C -5.745417 6.576330 8.138853 C -5.481785 8.739468 6.453623 C -6.860383 7.033446 7.441293 C -6.724769 8.124512 6.583868 C -3.468474 6.347278 10.433806 C -4.321253 7.178760 11.163285 C -2.785032 5.385288 11.186075 C -4.516929 7.054480 12.541197 C -2.953987 5.223565 12.560604 C -3.830768 6.066496 13.244034 F -2.177004 6.398331 6.139138 F 0.305727 7.018576 5.349457 F 2.116371 7.992926 7.152255 F 1.383667 8.314619 9.762841 F -1.061047 7.680353 10.575761 F -3.236194 8.914395 7.011499 F -5.343608 9.793906 5.646378 F -7.773584 8.569298 5.893890 F -8.047162 6.435181 7.573040 F -5.941008 5.531240 8.962220 F -4.997327 8.171610 10.560641 F -1.885116 4.580848 10.597104 F -2.276540 4.286236 13.228584 F -4.003709 5.932395 14.558145 F -5.348720 7.875184 13.187761 H -8.057882 3.403005 6.612138 H -5.949575 2.829396 7.807239 H -7.984510 4.864595 4.598285 F -3.477926 2.666209 7.986502 15 1bGD3BJ/SMD F -0.586516 1.707492 3.095665 C -4.825637 -0.032081 1.164903 C -2.254639 0.284865 2.201895 C -2.849017 1.330236 1.483695 H -2.309359 2.267381 1.334084 C -0.849370 0.442575 2.714064 C -4.135390 1.168226 0.966244 H -4.601721 1.983522 0.408434 C -2.942268 -0.917582 2.403257 H -2.474981 -1.726382 2.967465 C -4.229121 -1.072821 1.883118 H -4.767882 -2.009719 2.042269 F 0.068186 0.130356 1.771807 H -5.833166 -0.155442 0.760276 F -0.597228 -0.351301 3.771417 34 BCFGD3BJ/SMD B 3.922547 -0.780300 -0.449549 C 3.013018 0.226265 -1.234804 C 2.392566 1.315503 -0.605463 C 2.773494 0.094634 -2.610660 C 1.573728 2.213817 -1.284967 C 1.976162 0.983838 -3.326622 C 1.371180 2.047610 -2.655741 C 4.878757 -0.254931 0.675366 C 5.547197 0.974083 0.566719 C 5.125017 -0.984076 1.848613 C 6.414532 1.451065 1.546037 C 5.972252 -0.531094 2.856218 C 6.622469 0.693970 2.699597 C 3.879362 -2.307576 -0.796784 C 2.689405 -2.954448 -1.164539 C 5.028305 -3.112831 -0.765356 C 2.630615 -4.310895 -1.473288 C 5.010478 -4.468135 -1.084122 C 3.801082 -5.069839 -1.435204 F 1.538796 -2.275848 -1.210977 F 1.476709 -4.886996 -1.802210 F 3.764205 -6.361110 -1.732574 F 6.127869 -5.190762 -1.056974 F 6.213838 -2.585696 -0.443645 F 4.521837 -2.159977 2.050405 F 6.166082 -1.248607 3.960332 F 7.439555 1.136920 3.644950 F 7.042314 2.614917 1.394459 F 5.389539 1.734805 -0.521067 F 2.554055 1.517145 0.706255 F 0.989465 3.224613 -0.645771 F 0.602755 2.899500 -3.320356 F 1.787066 0.831462 -4.635294 F 3.336394 -0.902854 -3.300549 41 TPPyGD3BJ/SMD C -1.313224 0.364919 0.075179 C -0.446427 1.421438 -0.238130 C 0.653760 1.192543 -1.079576 N 0.913829 -0.024262 -1.576994 C 0.108754 -1.054941 -1.284627 C -1.023667 -0.893754 -0.470693 H -0.610213 2.405554 0.198057 H -1.694719 -1.731934 -0.288675 H 1.718246 -1.496449 -3.394263 C 1.600763 2.283893 -1.442172 C 2.882712 1.963885 -1.925379 C 1.249771 3.640807 -1.322037 C 3.787836 2.968262 -2.269684 C 2.154682 4.645603 -1.670504 C 3.428168 4.314435 -2.143766 H 3.158503 0.912990 -2.019069 H 0.254663 3.921504 -0.972801 H 4.781626 2.699084 -2.636666 H 1.860089 5.693871 -1.576952 H 4.135921 5.101738 -2.415047 C -2.492771 0.571060 0.952779 C -2.941702 -0.452584 1.807791 C -3.188383 1.794413 0.949878 C -4.049897 -0.258374 2.634301 C -4.299210 1.986270 1.773444 C -4.734025 0.961244 2.619611 H -2.404272 -1.402430 1.843608 H -2.871574 2.596373 0.279916 H -4.377131 -1.062657 3.297884 H -4.832016 2.940106 1.749313 H -5.602606 1.112432 3.265269 C 0.459800 -2.373397 -1.882562 C 1.324478 -2.429904 -2.990870 C -0.045604 -3.579906 -1.365326 C 1.665377 -3.652742 -3.569611 C 0.298712 -4.803851 -1.942696 C 1.153714 -4.846070 -3.048406 H -0.698861 -3.571134 -0.491233 H 2.333150 -3.674983 -4.434683 H -0.099121 -5.730526 -1.521532 H 1.421626 -5.804366 -3.500386 90 TSGD3BJ/SMD-1 C -4.244138 -5.276964 -0.437807 C -4.875602 -6.506985 -0.212445 C -4.572314 -4.278613 0.487567 B -3.129383 -5.084810 -1.600252 C -5.788693 -6.725253 0.821779 C -5.490664 -4.446471 1.520368 F -4.613948 -7.571904 -0.983919 F -3.969615 -3.078598 0.442381 C -3.193529 -6.158183 -2.816989 C -2.894079 -3.611979 -2.241762 C -6.102232 -5.685511 1.691158 F -6.344377 -7.925678 0.996056 F -5.757715 -3.447557 2.362589 C -4.297701 -6.076911 -3.668999 C -2.246150 -7.125915 -3.154060 C -1.669047 -3.319418 -2.851657 C -3.853364 -2.599320 -2.325834 F -6.954376 -5.883957 2.694199 C -2.384837 -7.958781 -4.268422 C -4.477457 -6.891128 -4.784125 F -5.260598 -5.173617 -3.409892 F -1.143160 -7.318599 -2.416583 C -1.357819 -2.076491 -3.398034 C -3.588205 -1.344584 -2.877022 F -0.710639 -4.257520 -2.925148 F -5.099823 -2.790447 -1.873169 C -3.505096 -7.843407 -5.087100 F -1.449635 -8.869236 -4.551066 F -5.558120 -6.768687 -5.557547 C -2.328036 -1.077523 -3.408337 F -0.149343 -1.839171 -3.913131 F -4.534277 -0.403745 -2.909489 F -3.647032 -8.634862 -6.149609 F -2.056234 0.118411 -3.926987 C -0.284820 -3.580786 0.095565 C -0.942058 -2.363035 0.345501 C 0.938653 -3.618775 -0.596260 C -0.377156 -1.182270 -0.123449 H -1.882624 -2.350817 0.892438 C 1.490536 -2.429912 -1.058855 H 1.436539 -4.571523 -0.778263 C 0.830165 -1.217368 -0.830701 H -0.878848 -0.230625 0.060921 H 2.437154 -2.445475 -1.600794 C -0.896715 -4.825081 0.516855 F -1.860737 -4.790453 1.376885 F -0.149116 -5.872494 0.665317 F -1.756343 -5.440137 -0.834923 C 1.662346 -4.912070 3.098546 C 2.312619 -6.147662 3.241360 C 1.602913 -7.258850 3.717696 C 0.249497 -7.075289 4.034391 C -0.336043 -5.811646 3.868745 N 0.366206 -4.763521 3.413058 H 3.364368 -6.250426 2.980249 H -0.333037 -7.898390 4.445967 H 1.265123 -0.287869 -1.204491 C 2.370215 -3.709741 2.575715 C 3.609945 -3.803800 1.916941 C 1.789801 -2.437351 2.726199 C 4.253234 -2.661201 1.437609 H 4.076950 -4.776733 1.757240 C 2.434577 -1.296192 2.250985 H 0.822518 -2.359505 3.221805 C 3.671191 -1.401554 1.606034 H 5.212839 -2.758043 0.923800 H 1.965908 -0.317597 2.379660 H 4.174539 -0.507632 1.229619 C -1.774196 -5.579094 4.171570 C -2.220827 -4.290624 4.514137 C -2.719844 -6.614401 4.068752 C -3.571587 -4.047927 4.763285 H -1.491919 -3.481990 4.581816 C -4.073627 -6.368174 4.307802 H -2.404247 -7.614922 3.766675 C -4.503613 -5.086304 4.662542 H -3.902572 -3.041190 5.029845 H -4.800881 -7.176081 4.196975 H -5.563698 -4.892728 4.836257 C 2.260337 -8.578707 3.887557 C 1.543478 -9.770497 3.673483 C 3.612735 -8.668119 4.265388 C 2.161194 -11.012731 3.828627 H 0.498467 -9.724397 3.360264 C 4.228068 -9.910911 4.426092 H 4.182269 -7.756987 4.459411 C 3.505507 -11.087982 4.206694 H 1.590565 -11.926980 3.647582 H 5.276536 -9.959967 4.730309 H 3.988210 -12.060522 4.330479 49 TSGD3BJ/SMD-2 F -5.436039 2.481495 9.502422 C -9.239271 5.657169 8.870068 C -7.256349 3.962195 9.814822 C -8.274507 4.391212 10.687613 C -6.204548 3.111038 10.327373 C -9.265504 5.239022 10.205951 C -7.233000 4.370872 8.467302 H -6.439375 4.031454 7.804240 C -8.231049 5.219729 8.002111 H -8.221600 5.548319 6.961432 F -5.010076 4.169040 11.057077 B -3.964261 5.315534 10.664368 C -2.818595 4.508921 9.846628 C -1.584031 4.145863 10.398812 C -3.023062 4.059473 8.536931 C -0.612599 3.423728 9.700217 C -2.086878 3.334415 7.805102 C -0.864808 3.014472 8.394493 C -4.833855 6.442674 9.879806 C -4.468291 7.088558 8.696588 C -6.024178 6.896170 10.458275 C -5.267778 8.050587 8.076428 C -6.855059 7.847183 9.871050 C -6.473419 8.427706 8.664000 C -3.491483 5.945126 12.085086 C -2.653670 7.062002 12.033946 C -3.855731 5.527225 13.364954 C -2.194672 7.737916 13.161020 C -3.422075 6.180326 14.522647 C -2.588701 7.290956 14.421843 F -4.183452 4.317464 7.908721 F -2.348864 2.941721 6.557433 F 0.046526 2.321419 7.717665 F 0.547511 3.114141 10.281189 F -1.257737 4.470933 11.657527 F -3.303444 6.816715 8.092302 F -4.880316 8.621182 6.933925 F -7.252342 9.335272 8.079051 F -8.005022 8.202884 10.448206 F -6.428421 6.398960 11.639361 F -2.232785 7.512616 10.837303 F -4.644991 4.459927 13.557638 F -3.800406 5.743618 15.726774 F -2.167944 7.918899 15.519246 F -1.389170 8.796191 13.048327 H -10.054170 5.587731 10.874743 H -8.273809 4.073713 11.730844 H -10.011419 6.336448 8.501852 F -6.414360 2.430739 11.404419