Supporting Information Molecular Cage Impregnated Palladium Nanoparticles: Efficient, Additive-Free Heterogeneous Catalysts for Cyanation of Aryl Halides. Bijnaneswar Mondal, Koushik Acharyya, Prodip Howlader and Partha Sarathi Mukherjee* Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India. E-mail: psm@ipc.iisc.ernet.in. Fax: 91-80-2360-1552; Tel; 91-80-2293-3352. These authors contributed equally. Figure S1: 1 H NMR spectrum of aldehyde C recorded in CDCl 3. S1
Figure S2: 13 C NMR spectrum of aldehyde C recorded in CDCl 3. Figure S3: ESI-HRMS spectrum of aldehyde C recorded in CH 3 CN. S2
Figure S4: FTIR spectrum of aldehyde C. Figure S5: ORTEP diagram of aldehyde C. S3
Figure S6: Unit cell packing diagram of aldehyde C. Hydrogen atoms are omitted for clarity. Table S1: Crystallographic data and refinement parameters for aldehyde C. Empirical formula C 39 H 27 NO 3 Fw 557.62 T (K) 100 crystal system Triclinic space group P a/å 8.5877(10) b/å 12.6416(14) c/å 14.4046(16) α/deg 109.408(3) β/deg 101.699(3) γ/deg 100.565(3) V/Å 3 1390.1(3) Z 2 ρcalcd (g cm -3 ) 1.332 μ(mo K) (mm -1 ) 0.084 λ/å 0.71073 F (000) 584.25 unique reflns 6471 GOF (F 2 ) 0.871 a R 1 0.0421 b wr 2 0.1222 [a] R 1 = Σ F o F c / Σ F o. [b] wr 2 = [Σ{w(F 2 o F 2 c ) 2 }/Σ{w(F 2 o ) 2 }] 1/2 S4
Figure S7: 1 H NMR spectrum of the cage CC1 recorded in CDCl 3. Figure S8: 13 C NMR spectrum of the cage CC1 recorded in CDCl 3. S5
Figure S9: 1 H- 1 H COSY NMR spectrum of the cage CC1 recorded in CDCl 3 Figure S10: 1 H- 13 C HMQC NMR spectrum of the cage CC1 recorded in CDCl 3. S6
Figure S11: FTIR spectrum of CC1. Figure S12: ESI-HRMS spectrum of CC1 recorded in CHCl 3 -CH 3 CN (1:1, v/v). S7
Figure S13: 1 H NMR spectrum of the cage CC1 r recorded in CDCl 3. Figure S14: 13 C NMR spectrum of the cage CC1 r recorded in CDCl 3. S8
Figure S15: 1 H- 1 H COSY NMR spectrum of the cage CC1 r recorded in CDCl 3. Figure S16: 1 H- 13 C HMQC NMR spectrum of the cage CC1 r recorded in CDCl 3. S9
Figure S17: FTIR spectrum of CC1 r. Figure S18: Molecular dimensions of CC1 r based on DFT calculation. S10
Scheme S1: Synthesis of CC2 r from tris(4-formylphenyl)amine (E) with (S, S)-1, 2- diaminocyclohexane (D) by employing dynamic imine chemistry followed by imine bond reduction. S11
Figure S19: 1 H NMR spectrum of CC2 recorded in CDCl 3. Figure S20: ESI-HRMS spectrum of CC2 recorded in CHCl 3 -MeOH. S12
Figure S21: 1 H NMR spectrum of CC2 r recorded in CDCl 3. Figure S22: ESI-HRMS spectrum of CC2 r recorded in CHCl 3 -MeOH. S13
Figure S23: Visual color changes during cage supported nanoparticle synthesis. (a) Pd@CC1 r and (b) Pd@CC2 r. Figure S24: PXRD pattern of Pd@CC1 r and CC1 r. S14
Figure S25: (a) SEM, (b) TEM, (c) particle size distribution and (d) XPS spectrum of Pd@CC2 r. Figure S26: PXRD pattern of Pd@CC2 r and CC2 r. S15
Figure S27: TEM image of as synthesized PDNPs in absence of cage compounds. Figure S28: TEM image and particle size distribution of (a) Pd@CC1 r and (b) Pd@CC2 r after 5 cycles. S16
Scheme S2: Schematic illustration of preparation of heterogeneous catalyst Pd@CC2 r. Figure S29: 1 H NMR spectrum of 4-formylbenzonitrile recorded in CDCl 3. S17
Figure S30: 13 C NMR spectrum of 4-formylbenzonitrile recorded in CDCl 3. Figure S31: 1 H NMR spectrum of 4-nitrolbenzonitrile recorded in CDCl 3 S18
Figure S32: 13 C NMR spectrum of 4-nitrolbenzonitrile recorded in CDCl 3. Figure S33: 1 H NMR spectrum of 4-cyanoacetophenon recorded in CDCl 3. S19
Figure S34: 13 C NMR spectrum of 4-cyanoacetophenon recorded in CDCl 3. Figure S35: 1 H NMR spectrum of 4-cyanobenzoic acid recorded in CD 3 OD. S20
Figure S36: 13 C NMR spectrum of 4-cyanobenzoic acid recorded in CD 3 OD. Figure S37: 1 H NMR spectrum of 5-cyanopyrimidine recorded in CDCl 3. S21
Figure S38: 13 C NMR spectrum of 5-cyanopyrimidine recorded in CDCl 3. Figure S39: 1 H NMR spectrum of 1,4-dicyanobenzene recorded in CDCl 3. S22
Figure S40: 13 C NMR spectrum of 1,4-dicyanobenzene recorded in CDCl 3. Figure S41: 1 H NMR spectrum of benzonitrile recorded in CDCl 3. S23
Figure S42: 13 C NMR spectrum of benzonitrile recorded in CDCl 3. Figure S43: 1 H NMR spectrum of 4-pyridinecarbonitrile recorded in CDCl 3. S24
Figure S44: 13 C NMR spectrum of 4-pyridinecarbonitrile recorded in CDCl 3. Figure S45: 1 H NMR spectrum of 3-pyridinecarbonitrile recorded in CDCl 3. S25
Figure S46: 13 C NMR spectrum of 3-pyridinecarbonitrile recorded in CDCl 3. Figure S47: 1 H NMR spectrum of 1,3,5-tricyanobenzene recorded in CDCl 3. S26
Figure S48: 1 H NMR spectrum of 1,3,5-tricyanobenzene recorded in DMSO-d 6. CC1 --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.286527 7.547349-2.145456 2 6 0 1.737593 6.289158-2.417467 3 6 0 2.545984 5.135163-2.434512 4 6 0 3.924638 5.288205-2.188424 5 6 0 4.478870 6.544000-1.894630 6 6 0 3.646662 7.679495-1.871724 7 6 0 1.939660 3.796410-2.648585 8 6 0 2.406686 2.669219-1.944026 9 6 0 1.781446 1.428593-2.057380 10 6 0 0.667866 1.265449-2.901790 11 6 0 0.218448 2.372943-3.644704 12 6 0 0.839519 3.613767-3.511051 13 7 0-0.015183 0.013304-2.983206 14 6 0-1.441239-0.021882-2.906802 15 6 0 0.728666-1.203629-2.902483 16 6 0 1.918548-1.362186-3.636801 17 6 0 2.685731-2.517836-3.500168 18 6 0 2.291806-3.565534-2.642897 19 6 0 1.075504-3.412803-1.947848 20 6 0 0.310206-2.253713-2.064607 S27
21 6 0-2.143681 0.863224-2.068392 22 6 0-3.530764 0.780714-1.957139 23 6 0-4.269376-0.193105-2.658084 24 6 0-3.556840-1.055647-3.516064 25 6 0-2.171851-0.969688-3.647357 26 6 0 3.152803-4.755702-2.424134 27 6 0-5.731511-0.343359-2.444459 28 6 0 5.919117 6.666152-1.599332 29 6 0 4.555820-4.625803-2.401546 30 6 0 5.375628-5.726246-2.127354 31 6 0 4.815374-6.973388-1.857769 32 6 0 3.416665-7.133505-1.886640 33 6 0 2.601600-6.029464-2.181383 34 6 0-6.557357 0.770315-2.195116 35 6 0-7.921217 0.616818-1.900647 36 6 0-8.484020-0.673647-1.880714 37 6 0-7.685809-1.781816-2.158373 38 6 0-6.322418-1.622638-2.430905 39 7 0 6.406978 7.732684-1.072672 40 6 0 7.597230 2.104421 2.142374 41 6 0 6.326002 1.586542 2.414801 42 6 0 5.192215 2.423058 2.433908 43 6 0 5.379225 3.797679 2.188305 44 6 0 6.648040 4.320851 1.893977 45 6 0 7.762914 3.460998 1.869834 46 6 0 3.839324 1.849969 2.649875 47 6 0 2.720862 2.350062 1.954310 48 6 0 1.465630 1.754633 2.068352 49 6 0 1.278283 0.639408 2.905393 50 6 0 2.377532 0.157525 3.640396 51 6 0 3.632641 0.748503 3.505592 52 7 0 0.010491-0.013825 2.985757 53 6 0-0.058669-1.438327 2.905818 54 6 0-1.189004 0.757805 2.904425 55 6 0-1.323129 1.947361 3.644398 56 6 0-2.460841 2.741080 3.507927 57 6 0-3.513729 2.374852 2.644865 58 6 0-3.386417 1.158869 1.944571 59 6 0-2.245643 0.366457 2.061905 60 6 0 0.808347-2.159513 2.064347 61 6 0 0.693358-3.544059 1.950512 62 6 0-0.296440-4.261232 2.651524 63 6 0-1.141168-3.530348 3.511710 64 6 0-1.022813-2.147971 3.645533 65 6 0-4.683690 3.262880 2.425886 66 6 0-0.479525-5.719386 2.436860 67 6 0 6.805178 5.757899 1.599286 68 6 0-4.521984 4.662579 2.403393 69 6 0-5.603769 5.506890 2.128886 70 6 0-6.863288 4.974920 1.859202 71 6 0-7.054821 3.580293 1.887662 72 6 0-5.969312 2.740479 2.182873 73 6 0 0.615633-6.570377 2.189213 74 6 0 0.431621-7.930637 1.895419 S28
75 6 0-0.871242-8.464270 1.875209 76 6 0-1.961325-7.640908 2.150286 77 6 0-1.771698-6.281228 2.421647 78 6 0-8.380491 3.001603 1.598801 79 7 0 7.884477 6.219754 1.075696 80 7 0 1.453953-9.950515 1.070708 81 7 0-9.321653 3.707902 1.081044 82 6 0 2.613823-10.794870 0.754144 83 6 0 2.888757-10.707301-0.781659 84 6 0 3.883463-11.792210-1.247351 85 6 0-10.733497 2.861832-0.751561 86 6 0-10.639576 3.130571 0.785023 87 6 0-11.704746 4.145270 1.255072 88 6 0-13.128890 3.776230 0.808972 89 6 0-13.190849 3.615631-0.720232 90 6 0-12.181609 2.556194-1.191486 91 6 0 7.838904 7.852509-0.767257 92 6 0 8.038746 7.648151 0.768918 93 6 0 9.453042 8.069003 1.223703 94 6 0 9.839116 9.484497 0.764894 95 6 0 9.718337 9.608055-0.764238 96 6 0 8.293567 9.256196-1.222812 97 6 0-8.749881 1.799531-1.599411 98 6 0 1.595642-8.786355 1.597183 99 7 0-9.916208 1.683683-1.071317 100 6 0 2.809055-8.446494-1.598449 101 7 0 3.493747-9.401122-1.076247 102 6 0 3.481690-13.208827-0.805296 103 6 0 2.273964-12.235748 1.192106 104 6 0 3.311250-13.269133 0.723125 105 1 0 1.643472 8.421840-2.131128 106 1 0 0.669496 6.194224-2.583448 107 1 0 4.575104 4.418570-2.224739 108 1 0 4.089316 8.640506-1.637921 109 1 0 3.237908 2.774313-1.254709 110 1 0 2.136888 0.591312-1.468542 111 1 0-0.621363 2.255284-4.320281 112 1 0 0.478828 4.449512-4.102052 113 1 0 2.239197-0.573602-4.308190 114 1 0 3.594286-2.618644-4.085022 115 1 0 0.749242-4.187628-1.261982 116 1 0-0.597179-2.147193-1.482136 117 1 0-1.599626 1.593246-1.480970 118 1 0-4.040371 1.448780-1.270587 119 1 0-4.096955-1.790029-4.104852 120 1 0-1.647135-1.639828-4.319081 121 1 0 6.543377 5.795345-1.846264 122 1 0 5.003495-3.650982-2.564809 123 1 0 6.453794-5.601106-2.108695 124 1 0 5.429433-7.834730-1.622866 125 1 0 1.524166-6.163416-2.223527 126 1 0-6.133182 1.770054-2.229669 127 1 0-9.536936-0.775190-1.645592 128 1 0-8.118127-2.777519-2.146816 S29
129 1 0-5.703354-2.497697-2.599540 130 1 0 8.455378 1.439726 2.126761 131 1 0 6.205237 0.520853 2.579324 132 1 0 4.526168 4.469679 2.225958 133 1 0 8.734245 3.880061 1.635144 134 1 0 2.843317 3.183637 1.270678 135 1 0 0.635208 2.134364 1.485028 136 1 0 2.242175-0.683530 4.311070 137 1 0 4.461304 0.363670 4.091227 138 1 0-0.529223 2.246460 4.319523 139 1 0-2.543892 3.648755 4.096958 140 1 0-4.166017 0.853274 1.254638 141 1 0-2.158916-0.541442 1.476791 142 1 0 1.550690-1.631557 1.477614 143 1 0 1.348938-4.067784 1.262590 144 1 0-1.886485-4.054221 4.101515 145 1 0-1.679395-1.609223 4.319472 146 1 0 5.949526 6.402884 1.845770 147 1 0-3.537357 5.088016 2.567393 148 1 0-5.454587 6.582016 2.110397 149 1 0-7.710346 5.608692 1.624720 150 1 0-6.127617 1.666298 2.224839 151 1 0 1.624759-6.169170 2.225727 152 1 0-0.996044-9.515108 1.641935 153 1 0-2.966578-8.050540 2.138057 154 1 0-2.632806-5.642488 2.588397 155 1 0-8.512443 1.937964 1.844300 156 1 0 3.528034-10.446079 1.264876 157 1 0 1.917684-10.835513-1.290507 158 1 0 4.869037-11.538587-0.834347 159 1 0 3.977116-11.734236-2.339029 160 1 0-10.363885 3.769327-1.259797 161 1 0-10.786934 2.160556 1.290900 162 1 0-11.429736 5.127879 0.848671 163 1 0-11.646461 4.231026 2.347372 164 1 0-13.832831 4.548118 1.145242 165 1 0-13.440205 2.835025 1.286452 166 1 0-12.970557 4.582415-1.197240 167 1 0-14.201861 3.330428-1.037867 168 1 0-12.453342 1.573998-0.781875 169 1 0-12.200206 2.455693-2.283916 170 1 0 8.434753 7.074875-1.275856 171 1 0 7.275682 8.262894 1.276994 172 1 0 10.164275 7.338023 0.816193 173 1 0 9.507687 7.983027 2.316190 174 1 0 10.861993 9.712405 1.090824 175 1 0 9.182679 10.226904 1.243251 176 1 0 10.444098 8.933060-1.242242 177 1 0 9.971071 10.624843-1.090700 178 1 0 7.580139 9.985042-0.815402 179 1 0 8.208727 9.312253-2.315305 180 1 0-8.308329 2.777887-1.837809 181 1 0 2.583505-8.366508 1.835643 182 1 0 1.743758-8.556709-1.847135 S30
CC1 r 183 1 0 4.240252-13.928973-1.137409 184 1 0 2.536851-13.499474-1.288670 185 1 0 1.286925-12.484231 0.779451 186 1 0 2.170176-12.253093 2.284285 187 1 0 4.280817-13.073336 1.205270 188 1 0 3.000091-14.273534 1.037362 --------------------------------------------------------------------- --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0-3.994694 6.844664-3.014561 2 6 0-3.566571 5.529636-3.222203 3 6 0-2.195841 5.207778-3.206539 4 6 0-1.272773 6.250612-2.980914 5 6 0-1.691933 7.568976-2.765751 6 6 0-3.066811 7.860975-2.779049 7 6 0-1.745565 3.804664-3.391827 8 6 0-0.618570 3.297192-2.713609 9 6 0-0.230886 1.963201-2.838437 10 6 0-0.958259 1.084298-3.661423 11 6 0-2.066733 1.585904-4.368073 12 6 0-2.451861 2.917312-4.229451 13 7 0-0.611286-0.298173-3.761105 14 6 0-1.651617-1.275425-3.673415 15 6 0 0.750476-0.704373-3.864111 16 6 0 1.678557 0.056869-4.600292 17 6 0 3.011421-0.342113-4.688487 18 6 0 3.473628-1.521800-4.070257 19 6 0 2.531622-2.279342-3.345487 20 6 0 1.202100-1.878601-3.231682 21 6 0-2.674481-1.138695-2.717656 22 6 0-3.691151-2.086999-2.629497 23 6 0-3.724113-3.212078-3.477846 24 6 0-2.692006-3.338780-4.429690 25 6 0-1.676886-2.388120-4.533801 26 6 0 4.892559-1.949985-4.174885 27 6 0-4.799736-4.228122-3.355574 28 6 0-0.688957 8.673158-2.489222 29 6 0 5.658688-1.665111-5.321756 30 6 0 6.997952-2.059718-5.401069 31 6 0 7.597294-2.755630-4.348099 32 6 0 6.851289-3.067789-3.199911 33 6 0 5.516459-2.652590-3.123067 34 6 0-6.113087-3.850020-3.007609 35 6 0-7.134965-4.794366-2.849779 36 6 0-6.841967-6.154064-3.047675 37 6 0-5.551298-6.547075-3.410604 38 6 0-4.537045-5.595878-3.561023 39 7 0-0.920563 9.255901-1.161851 S31
40 6 0 3.977399 6.857376 3.001982 41 6 0 3.553342 5.541141 3.210404 42 6 0 2.183359 5.215990 3.200147 43 6 0 1.256789 6.256731 2.979301 44 6 0 1.671829 7.576310 2.763575 45 6 0 3.046044 7.871591 2.771212 46 6 0 1.737253 3.811671 3.386312 47 6 0 0.610088 3.301322 2.710579 48 6 0 0.226167 1.966312 2.836182 49 6 0 0.957522 1.089293 3.657675 50 6 0 2.066268 1.593788 4.361891 51 6 0 2.447735 2.926148 4.222311 52 7 0 0.614140-0.293951 3.758335 53 6 0 1.656869-1.268776 3.671593 54 6 0-0.746523-0.703737 3.862115 55 6 0-1.676287 0.054950 4.598802 56 6 0-3.007997-0.347724 4.687745 57 6 0-3.467279-1.528698 4.069791 58 6 0-2.523582-2.283663 3.344532 59 6 0-1.195245-1.879228 3.229983 60 6 0 2.679164-1.130858 2.715401 61 6 0 3.698105-2.076830 2.628296 62 6 0 3.733920-3.200700 3.478130 63 6 0 2.702288-3.328681 4.430310 64 6 0 1.684941-2.380296 4.533400 65 6 0-4.884962-1.960810 4.175195 66 6 0 4.812040-4.214251 3.357119 67 6 0 0.665080 8.678276 2.492286 68 6 0-5.651245-1.678132 5.322507 69 6 0-6.989346-2.076514 5.402548 70 6 0-7.587339-2.774053 4.349883 71 6 0-6.841110-3.084019 3.201256 72 6 0-5.507496-2.665065 3.123674 73 6 0 6.124585-3.833269 3.009308 74 6 0 7.148851-4.775272 2.852819 75 6 0 6.859076-6.135476 3.051890 76 6 0 5.569213-6.531304 3.414648 77 6 0 4.552586-5.582447 3.563759 78 6 0-7.461126-3.878919 2.059224 79 7 0 0.885155 9.257866 1.161381 80 7 0 8.735103-4.624426 0.989907 81 7 0-8.785377-3.394881 1.688793 82 6 0 10.001200-4.183837 0.387215 83 6 0 9.868944-4.219484-1.163988 84 6 0 11.212948-3.839559-1.828029 85 6 0-9.988830-4.210452-0.384066 86 6 0-9.856466-4.245578 1.167124 87 6 0-11.201613-3.869884 1.831225 88 6 0-12.376455-4.735746 1.339578 89 6 0-12.491340-4.698871-0.195172 90 6 0-11.159658-5.099509-0.854949 91 6 0-0.130135 10.434733-0.764326 92 6 0 0.087817 10.433388 0.767789 93 6 0 0.788959 11.730132 1.231641 S32
94 6 0 0.057252 13.003024 0.770229 95 6 0-0.112802 13.004522-0.760536 96 6 0-0.837927 11.729019-1.225073 97 6 0-8.522532-4.362865-2.420102 98 6 0 8.535487-4.340701 2.423251 99 7 0-8.721601-4.647617-0.986888 100 6 0 7.472926-3.861013-2.057609 101 7 0 8.795012-3.372442-1.685505 102 6 0 12.390402-4.701857-1.336331 103 6 0 11.174527-5.069554 0.858099 104 6 0 12.505054-4.664836 0.198431 105 1 0-5.056549 7.071119-3.020693 106 1 0-4.300380 4.742728-3.362009 107 1 0-0.208705 6.031422-2.991197 108 1 0-3.393825 8.877379-2.587142 109 1 0-0.065173 3.942340-2.038861 110 1 0 0.620731 1.591586-2.279749 111 1 0-2.621391 0.925244-5.024807 112 1 0-3.298337 3.282767-4.801525 113 1 0 1.353356 0.964796-5.095174 114 1 0 3.707939 0.281873-5.238859 115 1 0 2.839597-3.205199-2.871069 116 1 0 0.506514-2.479822-2.658218 117 1 0-2.658934-0.295314-2.036777 118 1 0-4.449308-1.975275-1.861287 119 1 0-2.703629-4.174297-5.122205 120 1 0-0.903896-2.498415-5.286132 121 1 0-0.802918 9.473773-3.232375 122 1 0 0.337828 8.277819-2.616408 123 1 0 5.200506-1.152721-6.161323 124 1 0 7.572086-1.831115-6.294048 125 1 0 8.639629-3.051790-4.398252 126 1 0 4.956944-2.857463-2.214591 127 1 0-6.346611-2.796425-2.881504 128 1 0-7.624070-6.893503-2.907878 129 1 0-5.328215-7.598628-3.562969 130 1 0-3.530284-5.917763-3.807004 131 1 0-1.019272 8.553859-0.435726 132 1 0 5.038713 7.086428 3.003839 133 1 0 4.289576 4.755870 3.346639 134 1 0 0.193319 6.034856 2.994042 135 1 0 3.369851 8.888938 2.578814 136 1 0 0.053537 3.945141 2.037145 137 1 0-0.625667 1.592524 2.279286 138 1 0 2.624034 0.934627 5.017488 139 1 0 3.294582 3.293828 4.792423 140 1 0-1.353317 0.963786 5.093478 141 1 0-3.705937 0.274336 5.238493 142 1 0-2.829238-3.210397 2.870332 143 1 0-0.498282-2.478543 2.656194 144 1 0 2.661444-0.288411 2.033420 145 1 0 4.455877-1.964306 1.859820 146 1 0 2.716054-4.163293 5.123877 147 1 0 0.912363-2.491448 5.286028 S33
148 1 0-0.360154 8.281916 2.628643 149 1 0 0.783946 9.480931 3.232361 150 1 0-5.194052-1.164489 6.161847 151 1 0-7.563622-1.849557 6.295857 152 1 0-8.628809-3.073134 4.400527 153 1 0-4.947932-2.868267 2.214850 154 1 0 6.355566-2.779218 2.882309 155 1 0 7.643034-6.873157 2.913177 156 1 0 5.348643-7.583257 3.567909 157 1 0 3.546512-5.906534 3.809661 158 1 0-7.576535-4.928530 2.365463 159 1 0-6.732567-3.890071 1.224690 160 1 0 0.974838 8.553080 0.436580 161 1 0 7.939832-4.294395 0.449051 162 1 0-8.865000-2.403788 1.502171 163 1 0 10.233607-3.131059 0.667542 164 1 0 9.616084-5.253999-1.437787 165 1 0 11.421355-2.779127-1.613710 166 1 0 11.094300-3.921702-2.914742 167 1 0-10.224181-3.158345-0.664464 168 1 0-9.600208-5.279231 1.441039 169 1 0-11.413310-2.810092 1.616964 170 1 0-11.082597-3.951672 2.917919 171 1 0-13.312290-4.397767 1.803493 172 1 0-12.222155-5.775775 1.664825 173 1 0-12.770317-3.683364-0.515460 174 1 0-13.294295-5.365750-0.534646 175 1 0-10.911211-6.141035-0.606349 176 1 0-11.253960-5.050050-1.947224 177 1 0 0.876335 10.398434-1.227677 178 1 0-0.918531 10.390996 1.231396 179 1 0 1.810306 11.715254 0.827292 180 1 0 0.885252 11.715692 2.325231 181 1 0 0.609924 13.893028 1.097571 182 1 0-0.934111 13.055606 1.245500 183 1 0 0.878321 13.063314-1.235600 184 1 0-0.669943 13.892561-1.085641 185 1 0-1.859270 11.707994-0.820948 186 1 0-0.934040 11.716285-2.318701 187 1 0-8.666307-3.290703-2.660592 188 1 0-9.275754-4.915319-2.993105 189 1 0 9.289891-4.891795 2.995998 190 1 0 8.677007-3.268324 2.664162 191 1 0-7.927025-4.316256-0.445867 192 1 0 7.592371-4.910071-2.364208 193 1 0 6.743573-3.875168-1.223824 194 1 0 8.871659-2.380891-1.500280 195 1 0 13.325250-4.360990-1.800127 196 1 0 12.239283-5.742316-1.661697 197 1 0 10.929186-6.111780 0.609333 198 1 0 11.268659-5.019980 1.950384 199 1 0 12.780926-3.648540 0.518896 200 1 0 13.309997-5.329336 0.537863 --------------------------------------------------------------------- S34
CC2 r --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 7 0 2.178733-5.068327-3.492327 2 7 0 10.728286 0.000264-1.391636 3 7 0 2.409579 5.470176-2.916158 4 7 0-2.827658 7.411521 5.265377 5 7 0 6.614253-3.408725-7.929823 6 7 0 8.480526-1.197560-7.340873 7 7 0 9.940319 6.087211 0.770214 8 7 0 7.956442 7.805683-0.564738 9 7 0 2.981390 2.335310-8.530365 10 7 0 0.807338 0.514175-9.194755 11 7 0-2.828630 9.290837-2.088949 12 7 0-5.289899 9.081451-0.381228 13 6 0 3.028589-4.441602-4.449308 14 6 0 4.277995-4.988950-4.796047 15 6 0 5.097335-4.360345-5.735890 16 6 0 4.689445-3.193663-6.399263 17 6 0 3.433884-2.659757-6.061011 18 6 0 2.623447-3.253976-5.093293 19 6 0 10.351270-0.547226-2.653953 20 6 0 11.096122-1.589886-3.238396 21 6 0 10.740133-2.094092-4.489654 22 6 0 9.633973-1.589678-5.195645 23 6 0 8.885509-0.563214-4.597019 24 6 0 9.237306-0.044814-3.348729 25 6 0 11.126141-0.856867-0.320155 26 6 0 12.289056-0.577596 0.423058 27 6 0 12.681281-1.422461 1.460507 28 6 0 11.927425-2.560002 1.801969 29 6 0 10.760242-2.821331 1.069532 30 6 0 10.366698-1.988789 0.017168 31 6 0 10.648984 1.414052-1.176046 32 6 0 11.268078 2.309154-2.068310 33 6 0 11.186997 3.684781-1.853576 34 6 0 10.481064 4.213644-0.757645 35 6 0 9.861117 3.314001 0.123398 36 6 0 9.948193 1.932725-0.076097 37 6 0 3.518224 5.896074-2.128663 38 6 0 3.331634 6.344547-0.805950 39 6 0 4.416809 6.786926-0.046082 40 6 0 5.725380 6.769037-0.556868 41 6 0 5.906399 6.304542-1.870125 42 6 0 4.826406 5.892300-2.650758 43 6 0 2.574471 4.514319-3.967871 44 6 0 3.376607 3.369770-3.799698 45 6 0 3.556374 2.471990-4.854641 S35
46 6 0 2.919213 2.661126-6.092476 47 6 0 2.093851 3.787319-6.241047 48 6 0 1.933188 4.707449-5.205056 49 6 0 1.129323 6.102073-2.773218 50 6 0-0.031490 5.315798-2.669721 51 6 0-1.288134 5.919469-2.608170 52 6 0-1.425521 7.317168-2.644889 53 6 0-0.260923 8.098203-2.715745 54 6 0 1.001550 7.501841-2.781611 55 6 0-3.445844 8.105313 4.185883 56 6 0-4.573097 7.560742 3.538416 57 6 0-5.150078 8.213466 2.448553 58 6 0-4.619004 9.419086 1.957038 59 6 0-3.515270 9.971089 2.626174 60 6 0-2.943901 9.340162 3.731947 61 6 0 5.563679-2.508467-7.439486 62 6 0 9.272003-2.158783-6.558387 63 6 0 12.398668-3.451849 2.943702 64 6 0 10.389802 5.720922-0.578528 65 6 0 6.903921 7.228595 0.286489 66 6 0 3.103212 1.666176-7.227623 67 6 0-2.810389 7.945122-2.670078 68 6 0-5.188142 10.071855 0.714260 69 6 0 7.602333-2.962103-8.928191 70 6 0 8.085719-1.506746-8.727039 71 6 0 9.207169-1.190810-9.756223 72 6 0 8.192458-2.809496-11.426110 73 6 0 7.102881-3.140422-10.389121 74 6 0 9.801049 7.509042 1.140419 75 6 0 9.174807 8.383443 0.026937 76 6 0 10.969963 9.589053 2.103601 77 6 0 11.143777 8.144817 1.597656 78 6 0 3.021475 1.572074-9.786815 79 6 0 2.150300 0.293631-9.757977 80 6 0 2.127350-0.343537-11.175018 81 6 0 3.541735-0.691039-11.677202 82 6 0 4.457974 1.202797-10.251924 83 6 0-4.003488 10.163151-2.294027 84 6 0-5.352136 9.560088-1.774916 85 6 0-6.510254 10.555859-1.979503 86 6 0-5.305899 11.578172-3.971503 87 6 0-4.134496 10.597071-3.769436 88 7 0-3.631554-8.752796 2.751832 89 7 0 4.838687-0.518868 5.991492 90 7 0 3.895503-10.217264-0.057051 91 7 0 2.339243-10.921342 2.361697 92 7 0-3.438260-3.857752 7.042249 93 7 0-0.875144-2.777307 8.208461 94 7 0 10.249791-3.935819 5.655456 95 7 0 11.540648-4.627381 3.132342 96 7 0 5.907171 5.885168 6.022574 97 7 0 3.672846 7.378904 4.846675 98 6 0 2.692214-5.971041-2.510838 99 6 0 2.015932-7.174909-2.240182 S36
100 6 0 2.521818-8.083409-1.310719 101 6 0 3.727799-7.838232-0.634010 102 6 0 4.389067-6.625685-0.891546 103 6 0 3.876361-5.695540-1.799105 104 6 0-2.441077-9.460194 2.357979 105 6 0-2.353658-10.853203 2.498634 106 6 0-1.156584-11.514910 2.205069 107 6 0-0.030457-10.810420 1.752609 108 6 0-0.147566-9.420357 1.564829 109 6 0-1.331970-8.749742 1.872339 110 6 0-4.851093-8.973591 2.054894 111 6 0-6.089176-8.933931 2.724483 112 6 0-7.279071-9.112963 2.018369 113 6 0-7.282136-9.363332 0.637154 114 6 0-6.041504-9.435249-0.020452 115 6 0-4.844877-9.240098 0.670231 116 6 0-3.551773-7.878360 3.876786 117 6 0-2.689683-8.182284 4.946990 118 6 0-2.597677-7.326039 6.044890 119 6 0-3.370799-6.158490 6.128412 120 6 0-4.222654-5.852977 5.053444 121 6 0-4.304575-6.688278 3.938544 122 6 0 3.479547-0.849149 6.296223 123 6 0 2.432376-0.385155 5.479349 124 6 0 1.106725-0.665483 5.810012 125 6 0 0.785721-1.412401 6.956289 126 6 0 1.835355-1.900198 7.748926 127 6 0 3.166738-1.624001 7.425779 128 6 0 5.835001-1.544576 5.995597 129 6 0 5.600327-2.772646 5.353314 130 6 0 6.596494-3.752857 5.321860 131 6 0 7.847210-3.538352 5.920364 132 6 0 8.066703-2.315996 6.579050 133 6 0 7.076251-1.336137 6.625543 134 6 0 5.198717 0.835532 5.733403 135 6 0 6.251161 1.148215 4.849261 136 6 0 6.616106 2.475625 4.627251 137 6 0 5.931601 3.536513 5.242847 138 6 0 4.869195 3.221160 6.103381 139 6 0 4.515496 1.895154 6.359887 140 6 0-1.412097 7.436105 5.449297 141 6 0-0.537617 7.490529 4.347106 142 6 0 0.841750 7.575009 4.537127 143 6 0 1.399505 7.569223 5.824465 144 6 0 0.527097 7.458798 6.919106 145 6 0-0.857513 7.407104 6.743044 146 6 0 4.303256-8.862146 0.334194 147 6 0 1.295824-11.503152 1.496547 148 6 0-8.582903-9.527070-0.119201 149 6 0-3.308399-5.285665 7.367123 150 6 0-0.671185-1.614306 7.342791 151 6 0 8.945409-4.587672 5.861123 152 6 0 6.324980 4.975055 4.948479 153 6 0 2.896213 7.740814 6.040298 S37
154 6 0 4.273200-11.394749 0.739963 155 6 0 3.740511-11.331884 2.203693 156 6 0 4.013591-12.683776 2.905003 157 6 0 6.084604-13.047040 1.463091 158 6 0 5.791904-11.713933 0.747370 159 6 0-3.423836-2.873025 8.142287 160 6 0-2.114734-2.895586 8.998392 161 6 0-2.167528-1.835476 10.120188 162 6 0-4.673068-3.016469 9.037559 163 6 0 11.486764-4.732119 5.638062 164 6 0 11.739618-5.503124 4.306533 165 6 0 13.119755-6.208258 4.352562 166 6 0 13.241360-7.151233 5.565998 167 6 0 11.588251-5.695231 6.837601 168 6 0 6.026705 7.342818 5.838866 169 6 0 5.061862 7.852685 4.725469 170 6 0 5.133030 9.391082 4.612764 171 6 0 7.533143 9.378143 5.455292 172 6 0 7.471503 7.843508 5.577383 173 7 0-5.064245 1.817956-6.836972 174 7 0-8.450669-0.123857 1.148770 175 7 0-4.157850-5.095254-5.185030 176 7 0-6.882334-3.962847-4.570170 177 7 0-7.761301 7.201583-4.301825 178 7 0-9.190740 4.777884-3.139422 179 7 0-10.349437-6.173431-0.349734 180 7 0-8.687466-8.533655-1.213793 181 7 0-7.919458 1.568584 7.383268 182 7 0-5.849568 2.923390 8.922125 183 6 0 0.749488-4.983498-3.630631 184 6 0 0.111643-5.340881-4.829640 185 6 0-1.284096-5.343951-4.913834 186 6 0-2.072412-4.996047-3.807181 187 6 0-1.426504-4.602598-2.622812 188 6 0-0.034047-4.594809-2.531086 189 6 0-5.676322 0.559462-6.572265 190 6 0-5.450436-0.525679-7.440675 191 6 0-6.021074-1.771196-7.180175 192 6 0-6.850469-1.979736-6.066661 193 6 0-7.078759-0.890492-5.205639 194 6 0-6.495118 0.355671-5.442255 195 6 0-3.786441 1.830035-7.501376 196 6 0-3.646486 2.417627-8.769205 197 6 0-2.418760 2.365978-9.432949 198 6 0-1.304292 1.737958-8.851153 199 6 0-1.448815 1.173799-7.572454 200 6 0-2.674799 1.217131-6.904367 201 6 0-5.706546 3.054903-6.552043 202 6 0-7.104900 3.199142-6.648682 203 6 0-7.707987 4.431080-6.386994 204 6 0-6.949927 5.563334-6.039452 205 6 0-5.554248 5.412246-5.963095 206 6 0-4.938751 4.183244-6.202351 207 6 0-8.459383 1.070286 0.366085 S38
208 6 0-7.526049 2.093312 0.621972 209 6 0-7.572440 3.287921-0.097610 210 6 0-8.535653 3.501136-1.097307 211 6 0-9.437067 2.462883-1.376709 212 6 0-9.407293 1.266522-0.656312 213 6 0-8.796338-1.379744 0.559866 214 6 0-8.233613-1.775998-0.668239 215 6 0-8.588884-2.993942-1.251147 216 6 0-9.512237-3.851302-0.625888 217 6 0-10.059164-3.459934 0.605829 218 6 0-9.709577-2.241570 1.193047 219 6 0-8.256825-0.035700 2.565076 220 6 0-7.409370-0.939875 3.230694 221 6 0-7.224319-0.846866 4.612596 222 6 0-7.873632 0.143846 5.367633 223 6 0-8.715682 1.044531 4.696096 224 6 0-8.909357 0.957411 3.316961 225 6 0-3.647382 6.637263 6.154881 226 6 0-3.477624 5.249655 6.262576 227 6 0-4.299178 4.499080 7.111171 228 6 0-5.294233 5.118202 7.881441 229 6 0-5.450553 6.512164 7.775373 230 6 0-4.646403 7.264386 6.920002 231 6 0-3.591113-5.111832-3.835221 232 6 0-7.451404-3.342527-5.797551 233 6 0 0.021893 1.689515-9.591436 234 6 0-7.592336 6.908269-5.745673 235 6 0-8.640389 4.855220-1.784141 236 6 0-9.930511-5.142710-1.309233 237 6 0-7.709309 0.205428 6.880585 238 6 0-6.217812 4.339354 8.807601 239 6 0-5.404265-5.831195-5.474896 240 6 0-6.616008-5.417997-4.574657 241 6 0-7.881018-6.217734-4.945242 242 6 0-7.638527-7.738701-4.892397 243 6 0-5.178631-7.358248-5.421608 244 6 0-9.100828 7.273670-3.687615 245 6 0-9.909023 5.932702-3.707360 246 6 0-11.295028 8.584956-3.596188 247 6 0-9.928853 8.429595-4.289893 248 6 0-10.953244-7.428774-0.837466 249 6 0-10.023736-8.259668-1.785083 250 6 0-10.713041-9.561321-2.239688 251 6 0-12.994955-8.481282-1.957225 252 6 0-12.320395-7.171113-1.506985 253 6 0-8.103300 1.835302 8.819051 254 6 0-6.768759 1.989623 9.610776 255 6 0-7.054002 2.357551 11.089549 256 6 0-9.304905 1.188592 10.972428 257 6 0-9.019471 0.804014 9.507903 258 6 0 12.957602-6.401207 6.882238 259 6 0 5.511389-13.049363 2.893593 260 6 0-3.421552-1.995277 11.000623 261 6 0-7.994299 1.342294 11.767605 S39
262 6 0 8.971288 9.829784 0.558333 263 6 0 10.288711 10.467266 1.038205 264 6 0 6.571097 9.884132 4.363693 265 6 0-11.289223 6.108802-3.033189 266 6 0-12.094731 7.269697-3.645742 267 6 0-6.629770 10.981217-3.455489 268 6 0-6.453390-8.140729-5.791070 269 6 0-12.077139-9.284228-2.899462 270 6 0 4.461711 0.543443-11.644766 271 6 0 8.743518-1.388042-11.211428 272 6 0-4.705530-1.951560 10.150403 273 1 0 6.248562-4.329071-8.163991 274 1 0 8.858540-0.254740-7.271739 275 1 0 10.445397 5.573870 1.490262 276 1 0 7.567716 8.416572-1.280073 277 1 0 3.547127 3.179244-8.581938 278 1 0 0.253277-0.339534-9.207329 279 1 0-2.486474 9.304542-1.132684 280 1 0-4.603088 8.340719-0.267526 281 1 0 4.613516-5.906383-4.328611 282 1 0 6.069488-4.782833-5.962376 283 1 0 3.086186-1.754158-6.553129 284 1 0 1.669204-2.807015-4.839794 285 1 0 11.961918-1.983135-2.716912 286 1 0 11.343378-2.881669-4.934772 287 1 0 8.011275-0.180364-5.111090 288 1 0 8.647277 0.749132-2.904452 289 1 0 12.882488 0.295048 0.172320 290 1 0 13.593257-1.199648 2.009630 291 1 0 10.135651-3.662925 1.345552 292 1 0 9.460736-2.205288-0.538595 293 1 0 11.815887 1.917175-2.918625 294 1 0 11.686547 4.360962-2.543192 295 1 0 9.282992 3.702683 0.953967 296 1 0 9.458625 1.250398 0.610724 297 1 0 2.334861 6.354841-0.380142 298 1 0 4.238504 7.144223 0.965545 299 1 0 6.907800 6.283172-2.285415 300 1 0 4.997326 5.562105-3.668366 301 1 0 3.870982 3.196973-2.850504 302 1 0 4.196557 1.605734-4.708269 303 1 0 1.592806 3.947026-7.188776 304 1 0 1.310613 5.582498-5.352100 305 1 0 0.060677 4.235556-2.646123 306 1 0-2.175080 5.295882-2.528374 307 1 0-0.360746 9.177751-2.737628 308 1 0 1.891560 8.117356-2.856684 309 1 0-4.981229 6.616791 3.880860 310 1 0-6.003493 7.768420 1.946729 311 1 0-3.094117 10.910612 2.278026 312 1 0-2.092452 9.788583 4.229891 313 1 0 4.902501-2.120005-8.241169 314 1 0 6.069105-1.642414-6.995017 315 1 0 10.209106-2.470947-7.059829 S40
316 1 0 8.656986-3.059937-6.442304 317 1 0 12.385118-2.868837 3.873953 318 1 0 13.462174-3.706590 2.768690 319 1 0 11.370613 6.158864-0.851590 320 1 0 9.651441 6.130167-1.278608 321 1 0 6.524890 7.926434 1.058645 322 1 0 7.351878 6.377011 0.814229 323 1 0 4.066936 1.141721-7.082685 324 1 0 2.311922 0.907414-7.186191 325 1 0-3.139506 8.034702-3.714224 326 1 0-3.520208 7.239703-2.194674 327 1 0-6.190325 10.476168 0.914259 328 1 0-4.552695 10.937467 0.455255 329 1 0 8.480459-3.617606-8.807857 330 1 0 7.236497-0.842770-8.959211 331 1 0 10.073980-1.836560-9.551424 332 1 0 9.540081-0.154911-9.602775 333 1 0 7.795209-2.918538-12.443408 334 1 0 9.014362-3.535112-11.329874 335 1 0 6.226187-2.495595-10.550111 336 1 0 6.761729-4.177046-10.518108 337 1 0 9.118463 7.536447 2.005883 338 1 0 9.909952 8.445505-0.791917 339 1 0 11.942604 10.011983 2.385956 340 1 0 10.353659 9.581826 3.015837 341 1 0 11.853457 8.128349 0.756897 342 1 0 11.576198 7.517220 2.389435 343 1 0 2.600369 2.238195-10.557926 344 1 0 2.645504-0.429583-9.089654 345 1 0 1.643059 0.352319-11.876258 346 1 0 1.504977-1.248572-11.143884 347 1 0 3.493789-1.107131-12.691706 348 1 0 3.967337-1.477359-11.034908 349 1 0 4.913818 0.524566-9.515095 350 1 0 5.068769 2.116060-10.264027 351 1 0-3.793449 11.069186-1.706301 352 1 0-5.576311 8.674891-2.389659 353 1 0-6.344773 11.449338-1.358527 354 1 0-7.440438 10.091261-1.630382 355 1 0-5.394515 11.841017-5.033770 356 1 0-5.093372 12.514659-3.432894 357 1 0-4.304438 9.713868-4.402811 358 1 0-3.185251 11.041766-4.090596 359 1 0 4.031313-10.373105-1.052705 360 1 0 2.236211-9.915817 2.441029 361 1 0-2.830126-3.590305 6.272877 362 1 0-0.589874-3.648231 7.771933 363 1 0 10.210547-3.339588 4.830956 364 1 0 11.444046-5.166942 2.275966 365 1 0 6.241551 5.577344 6.931654 366 1 0 3.617935 6.377122 4.678424 367 1 0 1.099375-7.403459-2.771168 368 1 0 1.997622-9.014613-1.128398 369 1 0 5.320264-6.402041-0.376996 S41
370 1 0 4.403685-4.765080-1.975977 371 1 0-3.211983-11.405300 2.866808 372 1 0-1.089350-12.588548 2.354673 373 1 0 0.692639-8.855528 1.170195 374 1 0-1.406420-7.674940 1.745828 375 1 0-6.116961-8.751688 3.792048 376 1 0-8.223398-9.066821 2.554542 377 1 0-6.019550-9.623606-1.089319 378 1 0-3.900016-9.281807 0.140334 379 1 0-2.093063-9.086244 4.915115 380 1 0-1.921506-7.579927 6.857255 381 1 0-4.809632-4.941647 5.094092 382 1 0-4.956735-6.423754 3.114257 383 1 0 2.665583 0.197428 4.594938 384 1 0 0.309447-0.299633 5.167561 385 1 0 1.592156-2.478906 8.632970 386 1 0 3.969267-1.990884 8.056735 387 1 0 4.649369-2.943262 4.860614 388 1 0 6.406517-4.686587 4.798692 389 1 0 9.032539-2.141346 7.039643 390 1 0 7.262339-0.397609 7.135833 391 1 0 6.785983 0.349967 4.348488 392 1 0 7.441169 2.690085 3.952341 393 1 0 4.329971 4.028561 6.586169 394 1 0 3.706806 1.677808 7.047759 395 1 0-0.941978 7.482822 3.341646 396 1 0 1.511197 7.638778 3.687035 397 1 0 0.932162 7.434486 7.928076 398 1 0-1.512614 7.351948 7.605261 399 1 0 5.399112-8.720331 0.387616 400 1 0 3.925778-8.673534 1.349743 401 1 0 1.196416-12.572211 1.719742 402 1 0 1.553646-11.411998 0.427122 403 1 0-9.414316-9.455538 0.604035 404 1 0-8.642366-10.531404-0.558851 405 1 0-4.133986-5.551303 8.041423 406 1 0-2.379718-5.533530 7.916697 407 1 0-1.010914-0.728771 7.896164 408 1 0-1.277518-1.633725 6.415565 409 1 0 8.982472-5.134255 6.812114 410 1 0 8.686393-5.330825 5.083206 411 1 0 7.410724 5.005770 4.739462 412 1 0 5.836235 5.302949 4.020027 413 1 0 3.095955 8.796960 6.262494 414 1 0 3.200146 7.175009 6.939820 415 1 0 3.768678-12.242044 0.249618 416 1 0 4.327684-10.571019 2.740490 417 1 0 3.438161-13.476228 2.402700 418 1 0 3.634201-12.617366 3.930516 419 1 0 7.165214-13.239342 1.483697 420 1 0 5.630268-13.869705 0.889836 421 1 0 6.335054-10.898939 1.249255 422 1 0 6.158973-11.748991-0.288104 423 1 0-3.482343-1.888022 7.655295 S42
424 1 0-2.055135-3.878421 9.488053 425 1 0-2.173239-0.827658 9.679007 426 1 0-1.251526-1.914025 10.716809 427 1 0-4.682277-4.012162 9.504605 428 1 0-5.565713-2.954597 8.403954 429 1 0 12.308138-4.006722 5.751447 430 1 0 10.964811-6.280206 4.222092 431 1 0 13.913085-5.447645 4.403909 432 1 0 13.275487-6.764736 3.417671 433 1 0 14.239059-7.608059 5.593205 434 1 0 12.520571-7.976154 5.457615 435 1 0 10.799931-6.458771 6.771548 436 1 0 11.411501-5.129263 7.760286 437 1 0 5.688499 7.784789 6.788422 438 1 0 5.420477 7.450457 3.765629 439 1 0 4.761202 9.852141 5.539141 440 1 0 4.462017 9.710169 3.807169 441 1 0 8.560535 9.701438 5.240690 442 1 0 7.256793 9.831540 6.419641 443 1 0 7.850357 7.391771 4.647875 444 1 0 8.127726 7.495536 6.387493 445 1 0-4.107568-4.186868-5.633668 446 1 0-6.081472-3.437136-4.230774 447 1 0-7.084319 6.716058-3.723631 448 1 0-8.565386 4.328538-3.800230 449 1 0-9.665193-6.318441 0.386740 450 1 0-8.200422-7.673378-0.974087 451 1 0-7.230542 2.210076 6.995868 452 1 0-4.888576 2.804512 9.232862 453 1 0 0.711773-5.634732-5.684369 454 1 0-1.783545-5.638896-5.829815 455 1 0-2.019788-4.304190-1.761885 456 1 0 0.456637-4.300623-1.609567 457 1 0-4.830117-0.388330-8.318090 458 1 0-5.835705-2.591386-7.869155 459 1 0-7.713636-1.020984-4.333874 460 1 0-6.673855 1.172535-4.752703 461 1 0-4.504593 2.890721-9.234836 462 1 0-2.329739 2.801454-10.424794 463 1 0-0.589542 0.703985-7.108433 464 1 0-2.779816 0.772071-5.920564 465 1 0-7.713969 2.351711-6.940859 466 1 0-8.786957 4.518821-6.486846 467 1 0-4.937343 6.272134-5.713918 468 1 0-3.861105 4.093030-6.129533 469 1 0-6.774160 1.948693 1.389615 470 1 0-6.846577 4.067475 0.121709 471 1 0-10.173851 2.614983-2.157752 472 1 0-10.129689 0.487101-0.871386 473 1 0-7.514511-1.126536-1.156170 474 1 0-8.139393-3.285667-2.199463 475 1 0-10.774861-4.114628 1.091119 476 1 0-10.151330-1.946764 2.138554 477 1 0-6.893091-1.703423 2.658942 S43
478 1 0-6.555111-1.546814 5.107856 479 1 0-9.218362 1.810158 5.275728 480 1 0-9.568120 1.657424 2.814882 481 1 0-2.712036 4.762046 5.668369 482 1 0-4.190287 3.421670 7.154261 483 1 0-6.209827 7.012669 8.371415 484 1 0-4.779417 8.337906 6.839047 485 1 0-3.867005-6.069361-3.374839 486 1 0-4.013025-4.334956-3.169269 487 1 0-8.540773-3.261753-5.685318 488 1 0-7.274347-3.972651-6.681755 489 1 0-0.185404 1.743157-10.677784 490 1 0 0.621109 2.571389-9.333566 491 1 0-6.979398 7.697692-6.203319 492 1 0-8.572212 6.957553-6.231469 493 1 0-9.312183 5.492001-1.192891 494 1 0-7.650379 5.349811-1.735991 495 1 0-10.783828-4.937767-1.969680 496 1 0-9.107230-5.460974-1.976379 497 1 0-8.462887-0.445961 7.339363 498 1 0-6.725797-0.228473 7.149407 499 1 0-6.254574 4.865091 9.780710 500 1 0-7.237885 4.388957 8.405169 501 1 0-5.657285-5.575071-6.514482 502 1 0-6.352772-5.677738-3.538011 503 1 0-8.203602-5.945337-5.960888 504 1 0-8.692935-5.926013-4.267947 505 1 0-8.547019-8.269063-5.207370 506 1 0-7.443819-8.049505-3.855491 507 1 0-4.865544-7.650555-4.408380 508 1 0-4.350213-7.611649-6.093219 509 1 0-8.916097 7.523514-2.632113 510 1 0-10.093403 5.675798-4.761352 511 1 0-11.864022 9.397866-4.065893 512 1 0-11.139722 8.875281-2.545949 513 1 0-10.096908 8.245119-5.361870 514 1 0-9.343561 9.353339-4.216467 515 1 0-11.139587-8.031968 0.063588 516 1 0-9.847286-7.650521-2.683713 517 1 0-10.869438-10.218456-1.371747 518 1 0-10.044958-10.095011-2.926987 519 1 0-13.949696-8.260233-2.451811 520 1 0-13.233099-9.093721-1.074165 521 1 0-12.184539-6.527032-2.387970 522 1 0-12.955833-6.618824-0.805060 523 1 0-8.626622 2.803141 8.883075 524 1 0-6.259953 1.014252 9.591406 525 1 0-7.516078 3.355165 11.130014 526 1 0-6.103720 2.427139 11.637229 527 1 0-9.947041 0.430597 11.438795 528 1 0-9.862883 2.136395 11.001810 529 1 0-8.544670-0.187424 9.494829 530 1 0-9.952895 0.721864 8.937794 531 1 0 13.748087-5.655417 7.054105 S44
532 1 0 12.991983-7.096430 7.730839 533 1 0 5.665051-14.029571 3.363437 534 1 0 6.064068-12.319087 3.504528 535 1 0-3.444038-1.211322 11.768668 536 1 0-3.373981-2.956661 11.534339 537 1 0-8.205451 1.652688 12.799086 538 1 0-7.492399 0.364498 11.829924 539 1 0 8.243212 9.813960 1.382407 540 1 0 8.528037 10.436488-0.243398 541 1 0 10.966455 10.584384 0.178809 542 1 0 10.103155 11.474875 1.431635 543 1 0 6.588634 10.980681 4.317676 544 1 0 6.915163 9.522809 3.382486 545 1 0-11.151091 6.301863-1.958934 546 1 0-11.835379 5.162081-3.114279 547 1 0-12.338768 7.033584-4.693117 548 1 0-13.051397 7.382681-3.119296 549 1 0-7.444178 11.708632-3.571711 550 1 0-6.896979 10.100138-4.056775 551 1 0-6.710438-7.939699-6.842760 552 1 0-6.266140-9.219557-5.714885 553 1 0-12.554981-10.230698-3.183677 554 1 0-11.925473-8.715695-3.829468 555 1 0 4.113929 1.274188-12.390714 556 1 0 5.484587 0.266409-11.932178 557 1 0 9.570532-1.187645-11.904570 558 1 0 7.955439-0.654696-11.442611 559 1 0-5.589733-2.098276 10.784499 560 1 0-4.805069-0.953303 9.696389 --------------------------------------------------------------------- S45