253 Figure 6.1.A beta carbon Cl Si 0.24270 -2.09350 0.07420 Si -3.10430 0.41550 -1.73390 Si -2.05670 -2.82360 0.19110 Si -3.02880 0.37520 2.19780 Si -3.50160 -0.91230 0.22390 Si -0.82330 1.11380 -1.83270 Si -0.71050 1.08580 2.04150 Si 0.79360 -0.76970 1.98310 Si -0.30420 2.42180 0.09340 Si 0.62990 -0.77990 -1.88640 Si 1.98620 3.14150 -0.01410 Si 3.07750 -0.06250 1.88340 Si 2.91300 -0.07610 -2.00090 Si 3.40760 1.23480 -0.07940 Si 4.33130 -1.98970 -2.08100 Si 4.50520 -1.97320 1.84090 Si 4.00790 -3.26970 -0.09660 Si 1.72460 -3.97430 0.00960 Si 0.49490 -2.06970 3.94760 Si 0.12270 -2.09680 -3.79840 Si -1.75300 -2.75060 4.05450 Si -2.13320 -2.77490 -3.66620 Si -2.31180 -4.10950 2.19010 Si -2.49670 -4.13480 -1.75570 Si -3.20110 -0.87900 4.24660 Si -3.56700 -0.88340 -3.69830 Si 3.58570 1.24360 3.81220 Si 3.24190 1.22140 -3.97520 Si 2.12780 3.11100 3.79960 Si 1.80940 3.10600 -3.85180 Si 2.49500 4.46660 1.89940 Si 2.32360 4.45280 -1.97800 Si -4.51080 2.35390 -1.69470 Si -4.36590 2.35490 2.25720 Si -4.02150 3.63130 0.26170 Si -1.74160 4.32660 0.15140 Si -0.45090 2.43020 -3.77830 Si -0.13010 2.42790 3.92460 Si 0.46610 -0.77730 -5.73620 Si -1.37020 5.64520 -1.79610 Si -0.93600 1.11740 -5.68450 Si -1.88580 4.31770 -3.69400 Si -4.15560 3.65350 -3.65660 Si -3.18410 0.46640 -5.60150 Si -4.53610 2.40260 -5.63800 Si 2.71630 -0.11860 -5.84950 Si 0.89300 6.33590 -1.86780 Si 3.25640 -0.08380 5.73960 Si 4.19490 -3.28330 3.80010 Si 1.92910 -3.95570 3.85150 Si 1.00750 -0.73740 5.83840 Si 4.58650 -2.03190 5.77850 Si 1.38620 -5.29040 1.96270 Si -0.38420 1.16540 5.90430 Si -0.87330 -5.98550 2.04530 Si -2.62350 0.52570 6.05920 Si 1.56330 -3.98130 -3.82880 Si 1.06050 6.34940 1.90950 Si 3.82600 -3.30910 -3.99430 Si -1.54930 4.32660 3.98000 Si -1.19890 5.65750 2.04740 Si 1.20960 -5.30770 -1.89080 Si -1.04470 -6.00590 -1.74700 Si 4.03620 -2.06850 -6.00580 Si 1.41500 7.70980 -0.00350 Si -3.81320 3.67270 4.16050 Si -3.98460 2.45330 6.18920 Si -1.40030 -7.35470 0.17570 C -5.75600 2.05360 6.73660 H -5.73730 1.48030 7.67050 H -6.32700 2.97080 6.91760 H -6.29050 1.46160 5.98720 C -6.21340 1.90870 2.42150 H -6.39840 1.33850 3.33730 H -6.56850 1.30100 1.58660 C -4.89350 -1.55380 4.81370 H -4.76500 -1.93970 5.83290 H -5.66300 -0.77550 4.84660 H -5.26740 -2.36540 4.18880 C -4.07560 -4.79190 2.46090 H -4.42800 -5.36860 1.60020 H -4.07590 -5.46260 3.32820 H -4.79930 -3.99750 2.66410 C -5.34710 -1.38050 -0.19350 H -5.88400 -0.43410 -0.29980 H -5.25220 -1.76330 -1.21510 C -6.37080 1.89450 -1.69390 H -6.97790 2.77510 -1.92800 H -6.59520 1.13530 -2.44950 H -6.71180 1.52100 -0.72410 C -3.17490 -8.05130 0.25690 H -3.38230 -8.66040 -0.63040 H -3.28680 -8.69190 1.13910 C -5.36560 -1.49490 -3.93560 H -6.08350 -0.66930 -3.89640 H -5.44320 -1.95020 -4.93050 H -5.68290 -2.24930 -3.21160 C -6.35570 2.01290 -6.00430 H -6.93140 2.93380 -6.14600 H -6.43100 1.42430 -6.92580 H -6.82480 1.44060 -5.19810 C 5.82010 -1.70310 -6.53680 H 6.36260 -2.63100 -6.74750 H 5.81930 -1.09990 -7.45190 H 6.37360 -1.15240 -5.76970 C 6.16030 -1.45360 -2.23000 H 6.81420 -2.32670 -2.32050 H 6.31650 -0.83410 -3.11880 H 6.49800 -0.87840 -1.36340 C 5.04170 1.81800 -4.20920 H 5.72230 0.97990 -4.38930 H 5.09490 2.48040 -5.08130 H 5.41960 2.37180 -3.34530 C 6.33540 -1.42160 1.81590 H 7.00270 -2.28920 1.82670 H 6.58090 -0.82870 0.93050 H 6.57320 -0.81490 2.69530 C 5.22210 1.82720 -0.16060 H 5.91770 0.98570 -0.21580 H 5.39560 2.45510 -1.03850 H 5.48780 2.41630 0.72150 C 4.11420 5.09330 -2.15600 H 4.83230 4.27910 -2.28590 H 4.18360 5.74110 -3.03800 H 4.42910 5.67830 -1.28720 C 6.40880 -1.65960 6.14800 H 6.48440 -1.05180 7.05710 H 6.97130 -2.58430 6.31530 H 6.89120 -1.11020 5.33380 C 5.39300 1.85820 3.87440 H 5.52550 2.49680 4.75560 H 6.09790 1.02530 3.96100 H 5.67460 2.44180 2.99390 C 4.28810 5.12110 1.92780 H 4.49600 5.77380 1.07530 H 4.44520 5.70700 2.84100 H 5.02660 4.31540 1.91800 C 3.18500 8.41430 -0.08890 H 3.28800 9.05620 -0.97130 H 3.39350 9.02410 0.79780 H 3.94980 7.63530 -0.14990 Si 5.12010 -5.29540 -4.09010 Si 5.41300 -5.19470 -0.15330 Si 5.50060 -5.26460 3.78390 Si -5.45230 5.64330 -3.64730 Si -5.42020 5.56230 0.31490 Si -5.10810 5.66020 4.25560 Si 2.80570 -7.18730 1.87920 Si 2.63310 -7.20240 -1.92290 Si -2.62240 7.55220 2.08570 Si -2.79060 7.54040 -1.71480 Si 0.04790 -9.21610 0.11310 Si -0.03700 9.56770 0.05560 Si 2.28470 -8.52140 0.00350 H 3.20180 -9.69900 -0.03440 Si 5.04560 -6.46950 1.80560 Si 4.86870 -6.48060 -2.06350 H 5.93160 -7.67520 1.75210 H 5.75930 -7.68380 -2.08770 C 6.94240 -5.05090 -4.55670 H 7.45960 -6.01720 -4.55260 H 7.03620 -4.62450 -5.56110 H 7.46040 -4.38800 -3.85660 C 7.27090 -4.76330 -0.23270 H 7.59640 -4.19440 0.64390 H 7.85990 -5.68730 -0.26820 H 7.51890 -4.17530 -1.12180 C 7.35930 -5.00080 4.05480 H 7.55120 -4.55440 5.03620 H 7.88380 -5.96240 4.01480 H 7.79580 -4.34650 3.29380 Si -2.27240 8.87240 0.16200 H -3.19090 10.04900 0.19790 Si -5.03280 6.82890 -1.64800 Si -4.86240 6.84320 2.22610 H -5.74640 8.05120 2.25420 H -5.91730 8.03610 -1.60450 C -6.92640 5.41260 4.73600 H -7.00950 4.98300 5.74000 H -7.44540 6.37810 4.73990 H -7.44970 4.75070 4.03900 C -7.28390 5.15530 0.39020 H -7.86180 6.08630 0.36690 H -7.60300 4.54270 -0.45870 H -7.55240 4.62080 1.30660 C -7.30450 5.41040 -3.98510 H -7.81250 6.38100 -3.94660 H -7.46940 4.98560 -4.98110 H -7.78060 4.75200 -3.25190 H -4.47680 6.50630 5.31310 H -3.37860 3.32820 7.23830 H 3.41460 -2.90780 -7.07460 H 4.49400 -6.13660 -5.15460 H -4.02580 3.24910 -6.75860 H -4.90220 6.48490 -4.75270 H 4.06500 -2.86840 6.90150 H 4.99510 -6.09710 4.91710 H -0.17160 -10.06030 1.32270 H 2.58510 -7.98710 3.12130 H 0.77060 -1.55630 7.06570 H -2.82520 -0.28760 7.30000 H 1.70190 -4.77280 5.08290 H -1.05690 -6.79560 3.29050 H -1.93090 -3.58430 5.28580 H -0.68930 1.94240 -6.90560 H -1.65300 5.13710 -4.92270 H -2.57140 8.34200 -2.95620 H 0.18250 10.41140 -1.15480 H 1.07630 7.13910 -3.11800 H 1.99550 3.92200 -5.09400 H 2.90970 0.70300 -7.08610 H -2.29050 8.36100 3.29700 H -1.19640 5.13920 5.18470 H 0.00560 2.01870 7.06710 H 0.29460 10.42370 1.23140 H 1.35790 7.16110 3.13170 H 2.39450 3.92740 5.02720 H 3.57140 0.74900 6.94300 H 0.12440 -1.60060 -6.93560 H 1.22480 -4.80460 -5.03010 H 2.30100 -8.01200 -3.13350 H -3.49880 -0.36660 -6.80510 H -2.43850 -3.60480 -4.87480 H -1.34880 -6.82570 -2.96190 H -0.28830 -10.06820 -1.06380 H -6.82750 2.81300 2.46530 C -6.25340 -2.37490 0.53610 H -5.70380 -3.25650 0.86140 Cl -6.88900 -1.63350 2.10040 N -9.66620 -3.70190 -1.77770 C -8.86750 -4.58040 -1.14400 C -7.76530 -4.17120 -0.37960 C -7.46390 -2.81510 -0.26770 C -8.31040 -1.90390 -0.91440 C -9.38460 -2.39720 -1.64910 H -7.16410 -4.92960 0.10900 H -8.15290 -0.83270 -0.84900 H -10.05550 -1.70790 -2.16010 C -9.62310 -8.72780 -1.54500 C -10.29320 -7.85180 -2.40130 C -10.06760 -6.48220 -2.27300 C -9.17140 -6.03400 -1.29420 N -8.52730 -6.87490 -0.46030 C -8.75670 -8.18650 -0.59250 H -9.76380 -9.80350 -1.60690 H -10.97690 -8.22730 -3.15780 H -10.56300 -5.76210 -2.91500 H -8.22490 -8.84070 0.09750 C -4.27600 -4.82340 -1.83380 H -4.39970 -5.41040 -2.75120 H -4.49210 -5.48550 -0.99030 H -5.03280 -4.03510 -1.84450 H -3.93640 -7.26800 0.31210 253 Figure 6.1.b alpha carbon Si 0.24470 -2.12820 -0.06090 Si -3.14440 0.41560 -1.98510 Si -2.04570 -2.84680 -0.06290 Si -3.11650 0.31420 1.97770 Si -3.50760 -0.95070 -0.03490 Si -0.82010 1.10890 -1.93000 Si -0.79800 1.01740 1.94100 Si 0.69780 -0.84970 1.90240 Si -0.33740 2.38830 0.03360 Si 0.67530 -0.76090 -1.97270 Si 1.95750 3.10660 0.04090 Si 2.98090 -0.14500 1.91510 Si 2.96160 -0.06020 -1.97430 Si 3.38310 1.20130 -0.00320 Si 4.38380 -1.97670 -2.04460 Si 4.40370 -2.06260 1.88510 Si 3.99640 -3.31020 -0.10740 Si 1.71730 -4.01410 -0.11360 Si 0.31430 -2.19640 3.82110 Si 0.27460 -2.02400 -3.94320 Si -1.93890 -2.87580 3.81090 Si -1.97920 -2.69830 -3.93840 Si -2.39270 -4.19550 1.88720 Si -2.43930 -4.08820 -2.06910 Si -3.38500 -0.99560 3.98830 Si -3.42880 -0.81980 -4.03040 Si 3.41060 1.11430 3.89380 Si 3.38830 1.28400 -3.89770 Si 1.96460 2.99420 3.86280 Si 1.94940 3.16420 -3.78030 Si 2.39580 4.38680 2.00370 Si 2.38980 4.47670 -1.86390 Si -4.46130 2.42470 -1.95940 Si -4.44280 2.30750 2.02230 Si -4.02660 3.62380 0.06530 Si -1.74710 4.31510 0.08260 Si -0.31010 2.48320 -3.81220 Si -0.29450 2.31230 3.87850 Si 0.70580 -0.65980 -5.83270 Si -1.28420 5.68440 -1.81120 Si -0.67650 1.24820 -5.79530 Si -1.69740 4.40580 -3.76800 Si -3.96200 3.76500 -3.86450 Si -2.92370 0.61080 -5.84760 Si -4.24660 2.56800 -5.89580 Si 2.95740 -0.00510 -5.83350 Si 0.97650 6.37610 -1.76520 Si 3.00090 -0.25840 5.77580 Si 4.01310 -3.41960 3.80050 Si 1.74740 -4.08820 3.73720 Si 0.74960 -0.91200 5.76490 Si 4.31290 -2.22060 5.82770 Si 1.30750 -5.37800 1.79070 Si -0.63240 0.99800 5.81250 Si -0.94820 -6.06690 1.75320 Si -2.87810 0.36640 5.85510 Si 1.70430 -3.91530 -3.96010 Si 0.98100 6.28660 2.01130 Si 3.97150 -3.24910 -4.01340 Si -1.70320 4.22050 3.92060 Si -1.28130 5.59770 2.03480 Si 1.26450 -5.28730 -2.07260 Si -1.00090 -5.97230 -2.04770 Si 4.26510 -1.96370 -5.98740 Si 1.41830 7.70180 0.15550 Si -3.97180 3.56910 3.98730 Si -4.22840 2.30150 5.97680 Si -1.41380 -7.37500 -0.17580 C -6.01850 1.90000 6.45760 H -6.03010 1.29560 7.37190 H -6.58790 2.81480 6.65340 H -6.53700 1.33730 5.67510 C -6.30620 1.88620 2.09730 H -6.53140 1.23740 2.95090 H -6.65600 1.39050 1.18690 C -5.12210 -1.64770 4.48040 H -5.10090 -1.84730 5.55830 H -5.91460 -0.91480 4.29870 H -5.40540 -2.58370 3.99290 C -4.13470 -4.95210 2.09030 H -4.44430 -5.52680 1.21240 H -4.11590 -5.64070 2.94370 H -4.90880 -4.20970 2.29420 C -5.29200 -1.79490 -0.07090 Cl -6.36580 -1.12010 -1.40180 H -5.13340 -2.82940 -0.38120 C -6.34250 2.14050 -2.10490 H -6.83770 3.10330 -2.26560 H -6.58430 1.49880 -2.95810 H -6.77270 1.68040 -1.21370 C -3.18930 -8.07280 -0.17810 H -3.34130 -8.69660 -1.06640 H -3.35180 -8.69870 0.70660 C -5.15920 -1.47680 -4.49620 H -5.91580 -0.68600 -4.48620 H -5.10050 -1.87470 -5.51680 H -5.50450 -2.27460 -3.83700 C -6.04550 2.20640 -6.37360 H -6.60520 3.13400 -6.53360 H -6.07320 1.63210 -7.30690 H -6.56170 1.62480 -5.60360 C 6.06690 -1.59980 -6.45490 H 6.60810 -2.52450 -6.68180 H 6.09510 -0.96620 -7.34910 H 6.60290 -1.07880 -5.65540 C 6.21360 -1.42740 -2.10370 H 6.87720 -2.29520 -2.17210 H 6.40700 -0.79810 -2.97800 H 6.50650 -0.85870 -1.21700 C 5.19570 1.88500 -4.03260 H 5.88950 1.05050 -4.17460 H 5.29110 2.54620 -4.90170 H 5.52340 2.44330 -3.15160 C 6.23390 -1.51470 1.94950 H 6.89940 -2.38370 1.96500 H 6.51530 -0.90030 1.08980 H 6.43730 -0.93090 2.85270 C 5.20090 1.79280 0.00140 H 5.89840 0.95120 -0.02560 H 5.41460 2.42470 -0.86480 H 5.42650 2.37810 0.89700 C 4.18480 5.12230 -1.94670 H 4.91890 4.31480 -2.00550 H 4.30140 5.74490 -2.84170 H 4.43610 5.73850 -1.07880 C 6.11520 -1.87230 6.30440 H 6.14510 -1.28600 7.23020 H 6.66330 -2.80410 6.48010 H 6.64380 -1.30710 5.53040 C 5.21630 1.71760 4.03980 H 5.31910 2.33320 4.94100 H 5.91540 0.88020 4.12950 H 5.52990 2.32250 3.18490 C 4.19070 5.02940 2.10590 H 4.43160 5.69480 1.27210 H 4.31720 5.59950 3.03380 H 4.92600 4.22090 2.10920 C 3.18950 8.41000 0.17410 H 3.33920 9.06810 -0.68970 H 3.34590 9.00470 1.08160 H 3.95930 7.63400 0.14260 Si 5.26090 -5.23950 -4.10570 Si 5.40220 -5.23740 -0.15690 Si 5.31060 -5.40850 3.79080 Si -5.24460 5.76560 -3.86080 Si -5.42050 5.56290 0.12180 Si -5.25760 5.56410 4.08160 Si 2.72350 -7.27920 1.71930 Si 2.68490 -7.18770 -2.09210 Si -2.69630 7.50070 2.06370 Si -2.70490 7.58320 -1.74260 Si 0.02670 -9.24370 -0.22390 Si -0.03040 9.56350 0.19890 Si 2.26820 -8.55670 -0.21440 H 3.18600 -9.73390 -0.25360 Si 4.96380 -6.56050 1.75720 Si 4.92860 -6.47420 -2.12050 H 5.86070 -7.75820 1.71360 H 5.81480 -7.68060 -2.13920 C 7.09930 -4.98770 -4.49790 H 7.61630 -5.95420 -4.50060 H 7.23050 -4.53390 -5.48600 H 7.59060 -4.34440 -3.76110 C 7.26170 -4.80430 -0.15630 H 7.55280 -4.25660 0.74560 H 7.85390 -5.72630 -0.19210 H 7.54160 -4.19450 -1.02080 C 7.15170 -5.16270 4.17600 H 7.28880 -4.75670 5.18390 H 7.67600 -6.12420 4.12730 H 7.63190 -4.48060 3.46730 Si -2.26850 8.86900 0.18840 H -3.19240 10.04180 0.21600 Si -4.94930 6.87660 -1.79460 Si -4.93930 6.79260 2.08850 H -5.82870 7.99680 2.11200 H -5.83530 8.08300 -1.75910 C -7.08990 5.31690 4.50510 H -7.20260 4.85870 5.49350 H -7.60320 6.28520 4.52340 H -7.59890 4.67920 3.77560 C -7.29140 5.18200 0.13110 H -7.85100 6.12440 0.14950 H -7.60340 4.62510 -0.75720 H -7.58880 4.60130 1.00970 C -7.06950 5.57720 -4.34290 H -7.56250 6.55550 -4.30590 H -7.16560 5.19170 -5.36380 H -7.61040 4.90170 -3.67300 H -4.65140 6.38100 5.17600 H -3.64930 3.14500 7.06570 H 3.66980 -2.77140 -7.09480 H 4.67160 -6.05240 -5.21260 H -3.66350 3.43740 -6.96250 H -4.60720 6.64660 -4.88570 H 3.72480 -3.08080 6.89900 H 4.73750 -6.27220 4.86700 H -0.25770 -10.11780 0.95080 H 2.44920 -8.11030 2.92980 H 0.45490 -1.75670 6.96180 H -3.14150 -0.48070 7.06120 H 1.46270 -4.93710 4.93460 H -1.19880 -6.91040 2.96440 H -2.17870 -3.73710 5.01220 H -0.34920 2.11540 -6.96730 H -1.37200 5.24650 -4.96070 H -2.42840 8.41520 -2.95220 H 0.24680 10.43750 -0.97770 H 1.21770 7.20680 -2.98700 H 2.16090 4.00530 -5.00150 H 3.20910 0.84960 -7.03640 H -2.41100 8.27480 3.30910 H -1.39610 5.00070 5.15840 H -0.29380 1.81920 7.01370 H 0.25150 10.38460 1.41190 H 1.23260 7.05560 3.27090 H 2.18200 3.78340 5.11730 H 3.26680 0.54340 7.01160 H 0.40740 -1.45370 -7.06320 H 1.40830 -4.70820 -5.19260 H 2.40370 -7.96990 -3.33360 H -3.18670 -0.17650 -7.09390 H -2.22500 -3.51560 -5.16920 H -1.25400 -6.76010 -3.29530 H -0.25700 -10.06080 -1.43910 H -6.90020 2.79710 2.21980 C -6.08610 -1.77710 1.23460 H -5.43390 -2.21080 1.99550 H -6.26830 -0.74580 1.54100 N -9.84650 -3.94670 1.28290 C -8.70550 -4.54930 0.88960 C -7.47850 -3.87810 0.85060 C -7.40180 -2.53490 1.22860 C -8.59070 -1.91840 1.63640 C -9.77240 -2.66000 1.64460 H -6.60860 -4.43250 0.52170 H -8.60890 -0.87500 1.93950 H -10.70490 -2.19240 1.95900 C -8.85940 -8.62880 -0.26320 C -10.05810 -7.99080 0.06010 C -10.02440 -6.65050 0.44220 C -8.79040 -5.98640 0.48830 N -7.63070 -6.59920 0.17690 C -7.67910 -7.88550 -0.18730 H -8.83270 -9.67210 -0.56640 H -11.00330 -8.52690 0.01520 H -10.92880 -6.11310 0.70310 H -6.72490 -8.35020 -0.43080 C -4.22900 -4.73480 -2.24530 H -4.29870 -5.35470 -3.14710 H -4.53360 -5.35380 -1.39580 H -4.95560 -3.92350 -2.35050 H -3.95180 -7.28900 -0.18260 251 Figure 6.1.c vinyl linker Si 0.27080 -3.95290 1.41030 Si -3.22220 -1.80320 -0.62100 Si -1.94770 -4.84140 1.46980 Si -3.24160 -1.60940 3.28730 Si -3.52350 -3.04900 1.39850 Si -1.00010 -0.92980 -0.66520 Si -0.99750 -0.74680 3.19990 Si 0.61380 -2.51160 3.28230 Si -0.64570 0.51570 1.20160 Si 0.59930 -2.70000 -0.59440 Si 1.57960 1.40000 1.14220 Si 2.83470 -1.63640 3.23410 Si 2.81670 -1.82670 -0.66250 Si 3.13210 -0.40270 1.21960 Si 4.37100 -3.63570 -0.60160 Si 4.39280 -3.44150 3.33460 Si 4.08480 -4.85070 1.43460 Si 1.86800 -5.72780 1.49170 Si 0.30330 -3.75280 5.28690 Si 0.25150 -4.13260 -2.46050 Si -1.89810 -4.59790 5.31670 Si -1.94980 -4.97910 -2.37920 Si -2.24910 -6.06800 3.49090 Si -2.26420 -6.27130 -0.41970 Si -3.47930 -2.82810 5.32700 Si -3.53360 -3.21530 -2.51650 Si 3.16080 -0.21760 5.12350 Si 3.10210 -0.60040 -2.68910 Si 1.58380 1.54660 4.97520 Si 1.52170 1.16910 -2.69930 Si 1.90830 2.83690 3.01610 Si 1.87310 2.63770 -0.87450 Si -4.77480 0.00370 -0.69370 Si -4.74710 0.24920 3.23810 Si -4.44840 1.43610 1.19050 Si -2.22900 2.30390 1.12600 Si -0.68180 0.31780 -2.66620 Si -0.61930 0.69650 5.05720 Si 0.55060 -2.88470 -4.45200 Si -1.89930 3.55410 -0.87220 Si -1.00590 -1.11390 -4.52550 Si -2.26000 2.09060 -2.70790 Si -4.47270 1.24960 -2.70220 Si -3.20350 -1.93900 -4.48200 Si -4.66860 -0.09310 -4.65210 Si 2.74630 -2.05780 -4.51930 Si 0.30570 4.41280 -0.90010 Si 2.83190 -1.48650 7.09370 Si 4.08700 -4.68830 5.33980 Si 1.87750 -5.52950 5.33380 Si 0.63570 -2.31250 7.13930 Si 4.28530 -3.33790 7.28180 Si 1.52880 -6.98230 3.48690 Si -0.90980 -0.53400 7.05960 Si -0.67710 -7.84200 3.51590 Si -3.10570 -1.35290 7.14000 Si 1.82800 -5.90510 -2.35440 Si 0.33940 4.60850 2.88610 Si 4.03660 -5.06950 -2.47310 Si -2.17020 2.48970 4.97060 Si -1.86470 3.75220 2.98120 Si 1.51720 -7.17000 -0.36810 Si -0.68210 -8.03030 -0.27410 Si 4.20320 -3.91720 -4.54390 Si 0.65140 5.90360 0.91840 Si -4.38170 1.67400 5.11010 Si -4.56250 0.50660 7.17070 Si -1.00870 -9.32700 1.69010 C -6.32680 0.03190 7.67970 H -6.30150 -0.52720 8.62230 H -6.94620 0.92180 7.83430 H -6.81530 -0.59620 6.92830 C -6.57090 -0.31080 3.36480 H -6.73100 -0.95860 4.23330 H -6.90250 -0.84570 2.47110 C -5.21660 -3.57100 5.60240 H -5.23510 -4.09460 6.56550 H -5.98850 -2.79490 5.63600 H -5.48910 -4.28760 4.82400 C -3.99640 -6.81890 3.64290 H -4.16860 -7.59050 2.88700 H -4.11840 -7.28470 4.62760 H -4.77240 -6.05840 3.52480 C -5.18660 -3.95320 1.34490 H -5.23060 -4.75950 0.61000 C -6.54410 -0.71690 -0.67530 H -7.29850 0.06980 -0.57740 H -6.75310 -1.26090 -1.60240 H -6.67570 -1.42030 0.15220 C -2.72300 -10.16290 1.72330 H -2.81150 -10.86420 0.88580 H -2.85180 -10.73010 2.65220 H -3.54510 -9.44630 1.64790 C -5.29590 -3.94320 -2.62550 H -6.03710 -3.16120 -2.81900 H -5.35020 -4.66410 -3.44960 H -5.59300 -4.45660 -1.70700 C -6.43730 -0.60880 -5.10290 H -7.05200 0.26690 -5.33750 H -6.42170 -1.25460 -5.98860 H -6.92530 -1.15980 -4.29270 C 5.96290 -3.44960 -5.07600 H 6.57600 -4.34350 -5.23280 H 5.92950 -2.89540 -6.02140 H 6.46280 -2.81960 -4.33360 C 6.15870 -2.96800 -0.71620 H 6.88200 -3.78960 -0.72660 H 6.30340 -2.39240 -1.63600 H 6.41330 -2.31620 0.12430 C 4.85580 0.12840 -2.89830 H 5.60960 -0.65990 -2.99170 H 4.89430 0.73330 -3.81190 H 5.14790 0.76840 -2.06080 C 6.17910 -2.76170 3.35550 H 6.90500 -3.57670 3.43750 H 6.41780 -2.19890 2.44880 H 6.33690 -2.09480 4.20900 C 4.90010 0.32110 1.17620 H 5.65810 -0.46640 1.20100 H 5.06550 0.90850 0.26870 H 5.08080 0.97920 2.03080 C 3.60920 3.41700 -1.02990 H 4.40170 2.66440 -1.05490 H 3.66760 3.99490 -1.95980 H 3.82360 4.09810 -0.20120 C 6.05520 -2.83030 7.73630 H 6.03880 -2.18350 8.62120 H 6.66640 -3.70760 7.97360 H 6.54670 -2.28170 6.92660 C 4.91940 0.52040 5.23300 H 4.97240 1.20790 6.08530 H 5.67380 -0.25740 5.38830 H 5.19850 1.07910 4.33520 C 3.64760 3.62360 3.07600 H 3.84490 4.23950 2.19370 H 3.72420 4.27010 3.95830 H 4.44110 2.87460 3.14220 C 2.36430 6.74170 0.86260 H 2.46480 7.33250 -0.05510 H 2.47610 7.42200 1.71480 H 3.18980 6.02520 0.89350 Si 5.48020 -6.95270 -2.43000 Si 5.62940 -6.66610 1.51660 Si 5.52990 -6.56920 5.46500 Si -5.91340 3.13210 -2.83460 Si -5.99270 3.25390 1.10490 Si -5.81430 3.56790 5.06720 Si 3.09110 -8.76790 3.53960 Si 3.07860 -8.95290 -0.26730 Si -3.42870 5.53390 2.87730 Si -3.45710 5.34260 -0.93030 Si 0.57520 -11.07500 1.76300 Si -0.93410 7.65020 0.84320 Si 2.75550 -10.21470 1.70310 H 3.76440 -11.31450 1.75310 Si 5.27200 -7.88200 3.51780 Si 5.25750 -8.06600 -0.35790 H 6.25220 -9.01290 3.55880 H 6.24180 -9.19270 -0.30270 C 7.29010 -6.57620 -2.85460 H 7.88640 -7.49400 -2.79690 H 7.37940 -6.18110 -3.87220 H 7.72820 -5.84540 -2.16760 C 7.45490 -6.10500 1.48900 H 7.70350 -5.48110 2.35330 H 8.11030 -6.98360 1.51230 H 7.69440 -5.53410 0.58640 C 7.34700 -6.15600 5.81940 H 7.45370 -5.66800 6.79410 H 7.94470 -7.07470 5.83680 H 7.77140 -5.49190 5.05980 Si -3.11440 6.79100 0.90260 H -4.12360 7.89040 0.85540 Si -5.63930 4.46220 -0.90150 Si -5.61040 4.65410 2.97780 H -6.58910 5.78570 2.92050 H -6.61850 5.59400 -0.94380 C -7.61780 3.22600 5.54440 H -7.68430 2.85240 6.57190 H -8.19980 4.15290 5.48610 H -8.08780 2.49040 4.88420 C -7.82100 2.70330 1.13110 H -8.46830 3.58740 1.10390 H -8.07310 2.08120 0.26630 H -8.06870 2.13620 2.03350 C -7.73430 2.71580 -3.16490 H -8.33030 3.63530 -3.18720 H -7.85250 2.21490 -4.13160 H -8.15060 2.06240 -2.39170 H -5.25680 4.51450 6.07990 H -4.02920 1.43490 8.21300 H 3.66030 -4.85640 -5.57180 H 4.96050 -7.89160 -3.47000 H -4.14840 0.74680 -5.77320 H -5.41990 3.94640 -3.98610 H 3.75500 -4.16550 8.40750 H 5.02630 -7.39720 6.60240 H 0.37300 -11.88420 2.99970 H 2.88510 -9.53410 4.80540 H 0.41510 -3.09630 8.39230 H -3.29050 -2.13410 8.40390 H 1.66120 -6.30750 6.59210 H -0.84650 -8.60960 4.78990 H -2.07620 -5.38020 6.58140 H -0.78840 -0.32340 -5.77480 H -2.05680 2.86350 -3.97180 H -3.24870 6.10300 -2.19920 H -0.72870 8.45640 -0.39500 H 0.48070 5.17340 -2.17760 H 1.69110 1.94570 -3.96880 H 2.93340 -1.27520 -5.78200 H -3.20600 6.42160 4.05810 H -1.91350 3.38420 6.14080 H -0.66780 0.37970 8.21690 H -0.71060 8.57540 1.99190 H 0.53310 5.49580 4.07630 H 1.75780 2.43980 6.16500 H 3.03420 -0.58420 8.27130 H 0.31690 -3.79130 -5.61680 H 1.59730 -6.80520 -3.52570 H 2.85880 -9.83550 -1.45240 H -3.41130 -2.83840 -5.66070 H -2.14400 -5.87370 -3.56460 H -0.87610 -8.91820 -1.46420 H 0.34690 -11.99660 0.61240 H -7.22430 0.55860 3.48690 C -6.28300 -3.76690 2.10860 H -6.28150 -2.96300 2.84080 N -10.01480 -5.90890 2.05960 C -8.92400 -6.43190 1.46040 C -7.68850 -5.77710 1.44170 C -7.54650 -4.53020 2.06610 C -8.68490 -4.00650 2.70420 C -9.87930 -4.72210 2.66430 H -6.85680 -6.26870 0.95460 H -8.64520 -3.05160 3.22070 H -10.77010 -4.32220 3.14760 C -9.28930 -10.22490 -0.40410 C -10.45120 -9.59770 0.04600 C -10.34750 -8.35110 0.66130 C -9.08130 -7.76790 0.80790 N -7.95760 -8.37000 0.37340 C -8.07350 -9.56590 -0.21540 H -9.31770 -11.19750 -0.88840 H -11.42180 -10.07020 -0.07950 H -11.22110 -7.82650 1.02960 H -7.14730 -10.02620 -0.55480 C -3.98350 -7.09850 -0.52880 H -3.95790 -7.87090 -1.30660 H -4.27470 -7.57950 0.40920 H -4.77060 -6.39150 -0.80430 227 Figure 6.4 Reduced Si -1.028157497 -5.2743159726 3.1718532317 Si -2.975112552 -1.8459528933 3.3760033362 Si -4.949698303 1.5441659143 3.4098337156 Si -6.938291784 4.9546781179 3.4011874607 Si 2.870831804 -5.3141931777 3.2005846421 Si 0.952057015 -1.8808621705 3.4314190803 Si -1.036706442 1.5523781178 3.5845889955 Si -3.006053550 4.9414321986 3.5543338010 Si 4.855579958 -1.9088724065 3.4833151938 Si 2.912152207 1.5061239243 3.5974979838 Si 1.003562700 4.9254428760 3.5323635239 Si -2.918350558 -4.0353020588 2.4880741336 Si -4.856987456 -0.6590892803 2.5334901908 Si -6.833965921 2.7283316653 2.6046624382 Si 0.939135232 -4.0910848122 2.5580978075 Si -0.999134573 -0.6852194301 2.7244186766 Si -2.963022215 2.6901352852 2.7404963479 Si -4.944594587 6.0402572457 2.7363943965 Si 4.795283871 -4.0974326703 2.5805518731 Si 2.925624841 -0.7216624979 2.7261973357 Si 0.953141903 2.6446125191 2.8542467282 Si -1.003976865 5.9941577718 2.8680766355 Si 6.873771988 -0.9660195355 2.6920320425 Si 4.755511276 2.7542348332 2.8033562065 Si -2.904548248 -3.9392939224 0.1425672113 Si -4.849043312 -0.6124769666 0.1677221718 Si -6.772477435 2.7330708148 0.2562930386 Si 0.963979683 -3.9901789831 0.1932392650 Si -0.966258514 -0.5992785177 0.3199147187 Si -2.907557725 2.7708166960 0.3616864006 Si -5.086520853 6.0847698711 0.3903488458 Si 4.883041461 -4.0214233378 0.2214715337 Si 2.938258694 -0.6709505653 0.3422335636 Si 0.988614794 2.6977913052 0.4632150032 Si -0.800485023 6.0637165057 0.5252076425 Si 6.816530441 -0.6806644118 0.3570596286 Si 4.869736938 2.6867627056 0.4583899799 Si -4.819779150 -2.8290275587 -0.6681465868 Si -6.7669202764 0.5400974354 -0.6149360392 Si 0.8222605468 -6.1841640625 -0.6817115979 Si -0.9512633933 -2.8065460906 -0.5903007526 Si -2.8893446307 0.5471302017 -0.5374128593 Si -4.8383739090 3.8963972775 -0.4690423357 Si 5.1102445769 -6.2021027595 -0.6653527405 Si 2.9418229899 -2.8885814272 -0.5729124320 Si 1.0078667647 0.4998456618 -0.4532846892 Si -0.9164823700 3.8718080260 -0.3705496565 Si 6.8083532798 -2.8628022819 -0.5386374181 Si 4.8911875728 0.4763043253 -0.3958491704 Si 2.9449802395 3.8087841208 -0.3098814034 Si -4.7008177815 -2.8760208654 -3.0134394674 Si -6.8025985499 0.8324775545 -2.9487226272 Si 1.0197948829 -6.1286320515 -3.0188353428 Si -0.9147138992 -2.7596343751 -2.9698463191 Si -2.8574069870 0.6066424353 -2.9238454513 Si -4.7265679416 3.9754631148 -2.8243632110 Si 4.9490716652 -6.1493439891 -3.0135618546 Si 2.9814396899 -2.8094502182 -2.9536721865 Si 1.0405728049 0.5832496837 -2.8421869635 Si -0.8769698452 3.9766473978 -2.7441146562 Si 6.8498633514 -2.8487596957 -2.8919208149 Si 4.8884073761 0.5257101281 -2.7654091288 Si 2.9647131188 3.9142474695 -2.6567998108 Si -0.9438804253 -5.0182120596 -3.7232103121 Si -2.8451061899 -1.6243358531 -3.7721149767 Si -4.7795762586 1.7844153666 -3.7147575575 Si 2.9877199283 -5.0522632714 -3.7700011537 Si 1.0460669376 -1.6419097442 -3.7032744597 Si -0.8848400134 1.7624758976 -3.6197454927 Si -2.7983957981 5.1911278532 -3.4287802814 Si 6.9369002849 -5.0693627652 -3.7037633818 Si 4.9509048197 -1.6694973588 -3.6686533097 Si 3.0044682397 1.7302686890 -3.5582149324 Si 1.0880038513 5.1584043612 -3.3572698082 C -1.261179735 -5.2318110835 -5.5820745925 C -2.935968730 -1.6292860967 -5.6801777599 C -4.880952795 1.8590018740 -5.6192265037 C 2.990552362 -5.1494759870 -5.6778863065 C 1.055467719 -1.6134782000 -5.6146666050 C -0.845681960 1.8994806272 -5.5268842468 C -2.825427314 5.6827402099 -5.2614300218 C 7.300788918 -5.1970474670 -5.5592745432 C 5.095147877 -1.5754628450 -5.5705568874 C 3.137321464 1.8971563386 -5.4570160327 C 1.1869990648 5.6570889551 -5.1853329786 C -1.1176002512 -5.7823083895 4.9975909015 C -3.1380484625 -2.0085945473 5.2701747070 C -5.2038287922 1.4199965810 5.2969959289 C -7.3351410896 5.0893198341 5.2486160926 C 2.9345388536 -5.8404369856 5.0220417667 C 0.9478191130 -2.0740002206 5.3295642665 C -1.2719143416 1.8477853707 5.5047909461 C -3.1227787681 5.0904516350 5.4552380838 C 4.9879579609 -1.9971700961 5.3841811133 C 3.0767120027 1.4640502305 5.4993420207 C 1.5341031920 5.2764976772 5.3146067501 H -1.0320018941 -6.5307431727 2.3656410672 H 2.8610817566 -6.5604065469 2.3805517812 H -4.9468099165 7.4402876807 3.2621852856 H -0.9934120843 7.3939438226 3.3974055217 H 7.9709778691 -1.9292588865 3.0028641386 H 7.2130886805 0.2936338798 3.4055230300 H 6.0128186580 2.2803278299 3.4417134097 H 4.5896220063 4.1762394242 3.2188251869 H -4.1259970289 7.0365298358 -0.2239019130 H -6.4479356955 6.5557298991 0.0035871995 H 0.5261049311 6.6467105858 0.1826155673 H -1.8145229498 6.9450989442 -0.1102525787 H 8.0343479728 0.0448147059 -0.1120580705 H 6.0878685495 3.3980708400 -0.0334766399 H -6.0461834329 -3.5351022569 -0.1899647251 H -7.9911834299 -0.1823924827 -0.1589669256 H -0.5107990293 -6.7537238040 -0.3431290997 H 1.8276561455 -7.0787760808 -0.0529409180 H 4.1491229908 -7.1588350105 -0.0595195074 H 6.4720033690 -6.6886895810 -0.3002423152 H -5.9620036741 -2.4034590167 -3.6451658703 H -4.5257894842 -4.2885483580 -3.4591815829 H -7.9020959619 1.7920388061 -3.2633573079 H -7.1295645992 -0.4195995673 -3.6823602258 H 1.0002788620 -7.5258070797 -3.5559474627 H 4.9403870446 -7.5504388805 -3.5377734204 H -2.8123502792 6.4511767623 -2.6303110923 H 1.0861093876 6.4183010828 -2.5562543806 H -4.1586460115 -4.7475867750 2.9323193621 H -6.0878728212 -1.3879633819 2.9769930947 H -8.0553470589 1.9880436968 3.0514505102 H 8.0728586274 -2.1139968658 -3.3431552941 H 6.1237708193 1.2461327715 -3.2107019700 H 4.2141788493 4.6206075665 -3.0842634799 H -0.5414201285 -4.6814613686 -6.1958696630 H -1.1888622390 -6.2927815082 -5.8480358445 H -2.2668451023 -4.8905071752 -5.8500933089 H -2.1346199781 -1.0452638045 -6.1417685185 H -2.8703952564 -2.6515057307 -6.0662726099 H -3.8909294833 -1.2111433247 -6.0152742311 H -3.9865254168 2.3044905515 -6.0646194841 H -5.0107533134 0.8608028920 -6.0498048657 H -5.7430033588 2.4658564763 -5.9190634629 H 3.8530911975 -4.6335226781 -6.1112022308 H 3.0337682983 -6.1978825869 -5.9954760059 H 2.0862879822 -4.7087570291 -6.1089214160 H 1.9581247020 -1.1358064844 -6.0062715485 H 1.0191906258 -2.6300683171 -6.0190989866 H 0.1945182055 -1.0700585684 -6.0132389717 H 0.0679344790 2.3974206661 -5.8658014138 H -0.8883451551 0.9207767296 -6.0132530506 H -1.6932810183 2.4878384461 -5.8923570511 H -1.9964353788 6.3577335191 -5.4986674817 H -2.7563044335 4.8143262130 -5.9237328230 H -3.7606033193 6.2071573434 -5.4895814239 H 8.2496952856 -4.7025551538 -5.7965424263 H 7.3821183468 -6.2493475164 -5.8542984218 H 6.5162758376 -4.7349617314 -6.1665261032 H 6.0161943007 -1.0483797644 -5.8444512794 H 5.1389638680 -2.5747250137 -6.0158515747 H 4.2574379346 -1.0432982473 -6.0293471009 H 4.0954987476 2.3625174442 -5.7164594285 H 3.0855185125 0.9306404835 -5.9663029817 H 2.3425369205 2.5302162935 -5.8637463457 H 2.1438554355 6.1544907741 -5.3815857804 H 1.1112908599 4.7951652907 -5.8553790095 H 0.3865172856 6.3586400267 -5.4429648675 H -0.3087319260 -6.4756251017 5.2517046414 H -1.0497961431 -4.9216807055 5.6697995507 H -2.0689043490 -6.2898244752 5.1947264476 H -3.0306732762 -1.0493997160 5.7832016873 H -4.1185243100 -2.4255703363 5.5274170481 H -2.3758644799 -2.6826764858 5.6740693117 H -5.1995432085 2.4056232681 5.7748269015 H -6.1795689517 0.9622282548 5.4961910597 H -4.4470745971 0.8007644685 5.7834767031 H -7.4226522930 6.1425063654 5.5386526945 H -8.2874807611 4.5948606454 5.4713445131 H -6.5608585021 4.6305219016 5.8709406874 H 3.8633303268 -6.3901335329 5.2143045140 H 2.9046882207 -4.9826367532 5.7005309527 H 2.0970876003 -6.5007090021 5.2708626927 H 0.9847342212 -1.1092195295 5.8373146405 H 0.0437793238 -2.5881990842 5.6691128975 H 1.8089359961 -2.6616467505 5.6633564290 H -0.8960831532 2.8793057043 5.6045322125 H -2.3492208494 1.9011523876 5.6809109602 H -3.2159214149 6.1487536914 5.7266190041 H -4.0007225473 4.5706185738 5.8523830715 H -2.2392315831 4.6942267617 5.9631895722 H 5.0988957691 -0.9986415818 5.8194562628 H 4.1093203149 -2.4649161013 5.8385125552 H 5.8672332802 -2.5871852854 5.6672950166 H 2.7502382628 2.3980748328 5.9661243318 H 2.4951011577 0.6508253690 5.9396970134 H 4.1231307839 1.3036754075 5.7818382769 H 1.3747749187 6.3385213363 5.5366179082 H 1.0216843996 4.6869767797 6.0806427527 H 2.6072771875 5.0768630979 5.4183956116 H -8.0442932176 5.6175588959 2.6476061482 H -7.9632549016 3.4556197904 -0.2849590843 H 8.0053745600 -3.5955912660 -0.0252540382 H 8.0506839330 -5.7471140921 -2.9755471889 H 6.0067007793 -4.8302835127 3.0673440185 H -5.9374356371 4.7042144848 -3.3195923542 H -2.8942796640 -5.3273636539 -0.4047044484 H -2.0669010282 -5.6955974082 -3.0109277109 H 2.0257718530 5.5558580741 2.6463602004 H 2.9721707003 5.2002502706 0.2263334594 C -0.5962091849 1.0161551456 6.5245189919 H 0.4768022918 0.8981998198 6.4299296929 Cl 1.0166388036 3.3128354579 8.8159452016 N -2.1957717398 -0.6711998858 10.1078351980 C -2.9607409351 0.0769193529 9.2948704052 C -2.5195637375 0.6605345023 8.1151525804 C -1.1738706788 0.4723796442 7.7040760561 C -0.3625891532 -0.2722606223 8.5990897926 C -0.8959351729 -0.8285857025 9.7522382783 H -3.9924129606 0.2229983738 9.6131363592 H -3.2031753032 1.2749323044 7.5429862847 H 0.6866575013 -0.4249094918 8.3828692006 C 1.5912116213 -3.1985724204 12.2415086086 C 0.2226197206 -3.1651915005 12.5156512396 C -0.6054387058 -2.3832709471 11.7126333881 C -0.0408286364 -1.6569657147 10.6536679211 N 1.2797392316 -1.6892129805 10.3862469026 C 2.0636744158 -2.4410723081 11.1671139212 H 2.2778916866 -3.7913454099 12.8400330379 H -0.1935316210 -3.7377637548 13.3413811160 H -1.6733819807 -2.3234594848 11.8874762055 H 3.1258252311 -2.4381652119 10.9238579879 65 Complex 4 C -9.15152402 0.6667854429 0.8198049023 N -8.45679232 1.2554227078 -0.1746478106 C -8.12221141 0.5141952394 -1.2371353653 C -8.45057031 -0.8363308884 -1.3701995564 C -9.16287356 -1.4449904523 -0.3355916308 C -9.51926150 -0.6849126805 0.7765962349 H -10.07447643 -1.1142395842 1.6026764464 H -7.56354684 1.0231458400 -2.0216674172 H -9.43866393 -2.4945775759 -0.3943456068 H -8.153248202 -1.3872197674 -2.2579013489 C -10.503176645 1.7346198733 4.0484908720 N -10.157727114 0.9527822541 3.0161356274 C -9.525211363 1.5331071156 1.9775337667 C -9.229697114 2.9023110453 1.9559861535 C -9.597443150 3.7110882850 3.0322004670 C -10.254766951 3.1051707428 4.1085074859 H -10.563201705 3.6747350342 4.9797269809 H -8.717329783 3.3084031719 1.0909371571 H -11.009744950 1.2412082494 4.8762214275 C -10.628059498 5.9414385569 2.4265251253 C -9.370785842 5.2063629996 2.9158556016 Si -10.536031930 7.7594599821 1.7429802842 H -11.014500879 5.3430150234 1.5904082177 H -11.398674375 5.8786309614 3.2049023340 H -8.523940397 5.3813969844 2.2520338806 Cl -8.788688166 5.8950032758 4.5265821237 Si -10.075051001 9.4454404074 3.3596981472 Si -12.742421762 8.0951897274 0.9057965485 Si -8.970024382 7.8792513058 -0.0492421879 C -10.951591539 9.0995595315 5.0022531364 H -10.614077673 8.1611924523 5.4521702876 H -10.743597494 9.9110749630 5.7111416617 H -12.037608052 9.0387484366 4.8713390606 C -8.219146258 9.6608388757 3.6759174404 H -7.755460126 8.7343299199 4.0268361632 H -7.693973699 9.9807435504 2.7691755606 H -8.058505609 10.4316483641 4.4401854281 C -10.721346208 11.1068769623 2.7062763087 H -10.458195215 11.9042617335 3.4131322695 H -10.284632758 11.3667273043 1.7363613386 H -11.811337765 11.1108879208 2.5951170788 C -12.833853918 9.5543249117 -0.3011699275 H -12.487509018 10.4871427906 0.1563038588 H -12.229713758 9.3779939737 -1.1980274839 H -13.871227773 9.7065273482 -0.6256291516 C -13.335234249 6.5420888444 -0.0085061166 H -12.685119493 6.2934135409 -0.8546065874 H -13.372088712 5.6693599283 0.6531365005 H -14.347359653 6.7028496118 -0.4009969438 C -13.959165521 8.4207728337 2.3257123485 H -14.982064935 8.5015220004 1.9354252156 H -13.948188184 7.6090684770 3.0633095210 H -13.730929047 9.3532649443 2.8541122070 C -7.227369264 7.3164591564 0.4525180581 H -7.173143248 6.2413099853 0.6576927810 H -6.528667203 7.5238008771 -0.3684788413 H -6.865788906 7.8453846035 1.3403933498 C -9.517667488 6.8095594202 -1.5172661602 H -9.621531585 5.7537447070 -1.2429494413 H -10.477051644 7.1430854152 -1.9284514507 H -8.771961666 6.8695749951 -2.3207061683 C -8.825057181 9.6728471844 -0.6485641164 H -8.144020656 9.7220572609 -1.5083200831 H -9.790784304 10.0821804489 -0.9635677034 H -8.422396073 10.3306879688 0.1295414187 65 Complex 5 C -8.16047976 0.9181375115 0.7579813035 N -7.15168373 1.3299894886 1.5544532727 C -6.01440562 0.6233938731 1.5502912900 C -5.81265751 -0.5160470972 0.7686048994 C -6.85833877 -0.9420879933 -0.0514412321 C -8.04842582 -0.2172334667 -0.0575349574 H -8.88706972 -0.5083741143 -0.6789821681 H -5.22221543 0.9857604354 2.2042956513 H -6.74965206 -1.8239488674 -0.6781894992 H -4.865096748 -1.0460469612 0.8070262462 C -11.564043484 2.0331171088 0.0006775865 N -10.443126315 1.2886203498 0.0030000978 C -9.412543283 1.7338895251 0.7659651036 C -9.486916896 2.9004392253 1.5197262190 C -10.659566140 3.7043580572 1.5080887494 C -11.729985436 3.2159547998 0.7068033690 H -12.678288852 3.7392804213 0.6469143397 H -8.628052784 3.1989214962 2.1096045012 H -12.384281928 1.6548292111 -0.6082232239 C -11.760839818 5.9301588761 2.2668374105 C -10.699275746 4.9021822409 2.2704692326 Si -11.218495432 7.6295200094 1.4233737084 H -12.676928091 5.5891460030 1.7746657921 H -12.028399234 6.2102086702 3.2953654329 H -9.832491569 5.0952711061 2.8998515970 Cl -7.839799473 6.9158016343 10.1257260471 Si -9.583386067 8.7164103366 2.7767480808 Si -13.209403998 8.9291523370 1.3502725932 Si -10.371247973 7.2932265341 -0.7772870069 C -10.390451851 9.5930387254 4.2515490285 H -10.943484185 8.8925678217 4.8877464975 H -9.616969509 10.0626876765 4.8726709827 H -11.084382930 10.3792448920 3.9346465195 C -8.287087833 7.5227844470 3.4789976623 H -8.712516886 6.8844317107 4.2630172846 H -7.844922175 6.8766603970 2.7133456354 H -7.475125111 8.1011972072 3.9382960120 C -8.678195789 10.0269801743 1.7451403141 H -7.978468120 10.5826395418 2.3824177859 H -8.098358262 9.5781691906 0.9308827815 H -9.371206237 10.7508452630 1.3021607712 C -12.839189690 10.7469597934 0.9561111324 H -12.197381903 11.2080922944 1.7149709198 H -12.342402706 10.8611713403 -0.0135575217 H -13.774700982 11.3199241824 0.9210424574 C -14.398467148 8.2712890060 0.0265459716 H -13.978235376 8.3665453262 -0.9808099081 H -14.644833505 7.2153943154 0.1873614775 H -15.338275702 8.8380940721 0.0493002784 C -14.095485658 8.8423380777 3.0232158703 H -15.029815562 9.4166776381 2.9860728136 H -14.349405646 7.8110295456 3.2927571756 H -13.480629728 9.2560379140 3.8292400954 C -8.621104878 6.5638254589 -0.7531206152 H -8.599608497 5.5856599960 -0.2613905355 H -8.254557686 6.4303055961 -1.7790924842 H -7.913147537 7.2164522376 -0.2299147799 C -11.476955903 6.1416277158 -1.7992984001 H -11.522896337 5.1348786903 -1.3727163002 H -12.501449936 6.5222646228 -1.8745571694 H -11.077082630 6.0558379852 -2.8181480726 C -10.300202214 8.9553353527 -1.6907304511 H -9.878832342 8.8056918957 -2.6932839585 H -11.296816710 9.3940394431 -1.8142162204 H -9.673812994 9.6884210276 -1.1722293831 65 TS 1 C -8.49320 0.99060 1.33380 N -7.86560 1.25770 2.49800 C -6.71450 0.62300 2.75500 C -6.12820 -0.30130 1.88670 C -6.78270 -0.58040 0.68600 C -7.98170 0.07250 0.40450 H -8.52410 -0.11010 -0.51580 H -6.23410 0.86460 3.70240 H -6.36510 -1.29270 -0.02230 H -5.18990 -0.78230 2.14950 C -11.58200 2.07350 -0.30020 N -10.44860 1.39630 -0.05260 C -9.76210 1.73190 1.06190 C -10.19100 2.73880 1.93040 C -11.36770 3.46250 1.66330 C -12.08130 3.09330 0.50340 H -13.01870 3.57210 0.23530 H -9.59370 2.96310 2.80700 H -12.12760 1.77870 -1.19580 C -12.75390 5.44750 2.37210 C -11.77730 4.51870 2.58090 Si -11.69620 7.85780 1.27080 H -13.42340 5.40080 1.51830 H -13.05940 6.10120 3.18190 H -11.19900 4.57730 3.50250 Cl -2.40260 6.65300 8.56790 Si -10.03410 8.60160 2.78470 Si -13.65270 9.18950 1.30290 Si -10.85900 7.45010 -0.90370 C -10.81960 9.25800 4.38080 H -11.41720 8.49020 4.88540 H -10.03520 9.58220 5.07700 H -11.47040 10.11960 4.19230 C -8.83180 7.21060 3.23930 H -9.34440 6.38080 3.73760 H -8.32690 6.80680 2.35500 H -8.06000 7.58890 3.92220 C -9.03090 10.01230 2.00220 H -8.27290 10.37350 2.70970 H -8.51010 9.68480 1.09490 H -9.67070 10.86000 1.73200 C -13.21940 11.03530 1.18680 H -12.59610 11.36060 2.02760 H -12.67600 11.26270 0.26300 H -14.13560 11.64080 1.19620 C -14.78790 8.76460 -0.15520 H -14.30990 8.98050 -1.11730 H -15.07350 7.70650 -0.15380 H -15.70920 9.35950 -0.10160 C -14.62420 8.91330 2.90660 H -15.51360 9.55670 2.92510 H -14.96240 7.87500 3.00070 H -14.02230 9.15040 3.79100 C -9.16900 6.59860 -0.81880 H -9.22570 5.64710 -0.27950 H -8.79990 6.38980 -1.83090 H -8.42330 7.22460 -0.31560 C -12.03370 6.35530 -1.90870 H -12.13050 5.36050 -1.46210 H -13.03540 6.79260 -1.98160 H -11.64790 6.22900 -2.92850 C -10.65170 9.08850 -1.84270 H -10.24440 8.89810 -2.84460 H -11.60900 9.60800 -1.96510 H -9.96710 9.76970 -1.32550