Supporting information Contents 1. Conformational analysis of the protonated substrate …………………………………… S2 2. Effect of explicit solvation of the protonated substrate ………………………………… S2 3. Binding Gibbs energy calculations with the attach-pull-release approach ……………. S3 4. Classical MD simulation of the protonated substrate encapsulated …………………… S4 5. pKa calculation of the protonated substrate in solution ………………………………… S4 6. Calculated absolute and relative Gibbs energies ………………………………………. S5 7. Adaptively biased molecular dynamic simulation (AMBER-NFE-ABMD) …………… S8 8. Computational details …………………………………………………………………... S8 9. Force field parameters for molecular dynamic simulation ……………………………... S9 10. Cartesian coordinates ………………………………………………………………… S11 11. References ……………………………………………………………………………. S138 S1 1. Conformational analysis of the protonated substrate. Table S1. Calculated absolute and relative Gibbs energies of conformers of the protonated substrate. Conformers Absolute Gsolv Relative Gsolv 1 -467.29895 0.0 2 -467.29590 1.9 3 -467.29820 0.5 4 -467.29329 3.6 5 -467.29763 0.8 6 -467.29654 1.5 2. Effect of explicit solvation of the protonated substrate. Table S2. Calculated absolute ΔG between the protonated and unprotonated species as a function of the number of explicit solvent molecules included in the calculation. Number of Absolute Gsolv Relative Gsolv explicit solvents 0 -259.73 0.0 1 -267.5 -7.8 2 -272.36 -12.6 3 -274.33 -14.6 4 -274.46 -14.7 S2 Figure S1. Variation of Gibbs energy difference (ΔΔG) for protonated and unprotonated species as a function of the number of explicit water solvent molecules included in the calculation. 3. Binding Gibbs energy calculations with the attach-pull-release approach. Gencapcalc. = ‐7.4 2 23 Periodic simulation box (a  48Å): Host and guest 2500 water molecules 11 K+ counter ions (P = 1 bar, T = 298.15K). Figure S2. Computation of ΔGbind of the encapsulation of protonated substrate 2 in the metallocage. S3 4. Classical molecular dynamic simulation of host-guest complex. Figure S3. Number of solvent molecules inside the metallocage (along with the protonated substrate). 5. pKa calculation of the protonated substrate in solution. Scheme S1. The thermodynamic cycle for the pKa calculation (n=4). The main source of error in these calculations can be the solvation of proton/hydronium and it requires certain number of explicit solvent molecules in the calculations. Here, we considered the explicit solvation of a hydronium ion by three explicit water molecules (n=4 in Scheme S1). In general, when n → ∝, the actual value of the solvation Gibbs energy of proton is obtained using the thermodynamic cycle in Scheme S2. S4 Scheme S2. The thermodynamic cycle for the solvation Gibbs energy of proton. When n=4, the calculated standard solvation Gibbs energy of proton is -269.4 kcal/mol in agreement with the experimental value (-265.9 kcal/mol). Table S3. Calculated absolute energies of the species for the pKa calculation. ROH2+ (H2O)4 ROH H3O+(H2O)3 Egas -467.46361 -305.7011 -467.1013 -306.0617 Thermal 0.227537 0.067586 0.220358 0.074602 Ggas -467.23608 -305.6335 -466.8809 -305.9871 solvation -45.55464336 -16.6277335 -2.74911693 -65.9273506 Esolv -467.53621 -305.7276 -467.1056 -306.1667 Thermal 0.227537 0.067586 0.220358 0.074602 Gsolv -467.308671 -305.660028 -466.885291 -306.092133 6. Calculated absolute and relative Gibbs energies of the species in the reaction in solution and inside the metallocage. Table S4. Calculated Gibbs energies of the species in the reaction in solution and inside the metallocage. Species Absolute Gsolv Relative Gsolv 2’-w3 -696.56344 0.0 2-w3 -696.56303 0.3 TS2-w3 -696.55172 7.4 4-w3 -696.55445 5.6 TS4-w3 -696.54637 10.7 5-w3 -696.598990 -3.1 S5 2-w3⊂3 -9609.214665 0.0 TS2-w3⊂3 -9609.199253 9.7 4-w3⊂3 -9609.205977 5.5 4-w3’⊂3 -9609.205407 5.8 TS4-w3’⊂3 -9609.199172 9.7 5-w3⊂3 -9609.239353 -3.4 TS4-w3’_a1 -9609.180677 21.3 TS4-w3’_a2 -9609.187554 17.0 TS4-w3’_a3 -9609.191919 14.3 TS4-w3’_a4 -9609.198015 10.4 2-w3_a1 -9609.207682 4.4 2-w3_a2 -9609.213759 0.6 2-w3_a3 -9609.207931 4.2 2-w3_a4 -9609.206553 5.1 dC‐Ow 1.515 1.511 2.365 3.087 3.300 dC‐C 4.005 3.245 3.168 3.124 2.480 ‡ ‡ 2’‐w3 2‐w3 TS2‐w3 4‐w3 TS4‐w3 G 19.2 19.5 26.6 24.8 29.9 (a) (b) S6 (c) Figure S4. (a) Optimized geometries of TSs and intermediates for the reaction in solution and optimized geometries of (b) the encapsulated intermediate and (c) the encapsulated TS with different rearrangements of water solvent molecules in the metallocage. Distances are in Å; Gibbs energies in kcal/mol. S7 7. Adaptively biased molecular dynamic simulation (AMBER-NFE-ABMD). Figure S5. Free energy landscape for the conformational change of 4 inside the metallocage using the ABMD method with AMBER 16 program.1,2 8. Computational details. All Gibbs energies were calculated at full DFT level except the binding of the neutral and protonated substrate in the metallocage which were computed with molecular dynamics (MD) simulations. DFT calculations for Gibbs energies include three explicit water molecules in the metallocage and in solution. MD simulations for Gibbs energies include 2500 explicit water solvent molecules. Quantum chemical calculations: all calculations were performed with the Gaussian 09 software3 using the B3LYP-D3 functional as implemented.4–6 The SDD pseudopotential and related basis set complementing with a set of d polarization functions were used for Ga,7,8 while the 6-31G(d) basis set was used for all other atoms.9 The structures of the reactants, intermediates, transition states and products were optimized in water by using the SMD continuum model.10 The quasi- rigid-rotor-harmonic-oscillator (quasi-RRHO) approach was used for thermal contributions to the Gibbs energies.11 The standard state correction (1.9 kcal/mol to each of the compounds) was also included.12 The placement of explicit solvent water molecules was initially determined from the most populated molecular dynamics structure of the protonated substrate in the metallocage. Possible different positions of water molecules are constructed manually and tested to identify the most stable geometry in solution as well as in the metallocage. Molecular dynamics simulations: simulations were performed at constant temperature (298.15 K, using a Langevin thermostat) and pressure (1 bar, using a Monte Carlo barostat) with the AMBER 16 package13 using the CUDA version of the pmemd program. The MD simulation box, of size 46 × 49 × 47 Å and treated under periodic boundary conditions, contains the metallocage, the guest, 11 potassium counterions, and 2500 water molecules (TIP3P).14 Force field parametrization procedure was described in our previous work (the parameters of the metallocage were directly used).15 The absolute binding Gibbs energies (ΔGbind) were computed using the attach−pull−release (APR) method16–18 and the simulation details were described in the previous S8 work.15 A cutoff of 9 Å was used for nonbonded interactions, with long range electrostatics interactions accounted by the PME method.19 A time step of 2 fs was used in plain MD simulations, whereas for Gibbs energy calculations different time steps were used according to recommendations from the literature.16–18 The well-tempered adaptively biased molecular dynamics simulations were performed using the non-equilibrium free energy toolkit for AMBER.1,2 The resolution of collective variables was 0.1. 9. Force field parameters for molecular dynamic simulation. Parameters for the protonated 1,4-pentadien-3-ol: BOND O-C 7.0 1.6287 Created by Seminario method using MCPB.py O-H1 506.9 0.9845 Created by Seminario method using MCPB.py O-H2 503.7 0.9845 Created by Seminario method using MCPB.py C-c2 326.8 1.5095 SOURCE1_SOURCE5 10204 0.0042 C-c3 300.9 1.5375 SOURCE1_SOURCE5 88072 0.0058 ANGL H1-O-C 54.31 107.24 Created by Seminario method using MCPB.py H2-O-C 57.90 112.00 Created by Seminario method using MCPB.py c3-c3-O 100.33 104.13 Created by Seminario method using MCPB.py O-C-c2 130.90 102.38 Created by Seminario method using MCPB.py O-C-c3 100.35 104.13 Created by Seminario method using MCPB.py H1-O-H2 50.12 106.11 Created by Seminario method using MCPB.py H1-c2-c2 64.06 123.63 SOURCE3_SOURCE5 4623 2.2803 H1-c2-c3 62.87 115.65 SOURCE3_SOURCE5 1743 1.5647 H1-c3-hc 46.20 110.56 SOURCE3_SOURCE5 1758 0.9658 c2-H1-c2 63.89 112.00 SOURCE4_SOURCE5 453 0.8153 c3-H1-c2 63.41 111.56 SOURCE4_SOURCE5 9345 1.7373 atomic charges for the protonated 1,4-pentadien-3-ol: 1 C1 0.3380 -0.5590 0.3450 C 1 MOL 0.152628 2 C2 -0.9870 -0.2090 -0.2940 c2 1 MOL 0.019381 3 C3 1.5330 0.2620 -0.1280 c2 1 MOL 0.019381 4 C4 2.7610 -0.4820 -0.6000 c3 1 MOL -0.287611 5 H1 3.1300 -1.1810 0.1640 hc 1 MOL 0.100174 6 H2 2.5620 -1.0670 -1.5060 hc 1 MOL 0.100174 7 H3 3.5680 0.2220 -0.8200 hc 1 MOL 0.100174 8 C5 -0.9300 0.1080 -1.7710 c3 1 MOL -0.287611 9 H4 -0.1820 -0.5110 -2.2770 hc 1 MOL 0.100174 S9 10 H5 -1.8920 -0.0650 -2.2580 hc 1 MOL 0.100174 11 H6 -0.6490 1.1550 -1.9390 hc 1 MOL 0.100174 12 C6 1.5390 1.6010 -0.0280 c2 1 MOL -0.059805 13 H7 2.4600 2.0980 -0.3330 hc 1 MOL 0.120745 14 C7 -2.1100 -0.1980 0.4450 c2 1 MOL -0.059805 15 H8 -2.0420 -0.4310 1.5040 hc 1 MOL 0.120745 16 C8 0.4720 2.5350 0.4640 c3 1 MOL -0.346876 17 H9 0.8600 3.1360 1.2970 hc 1 MOL 0.124811 18 H10 0.1930 3.2440 -0.3270 hc 1 MOL 0.124811 19 H11 -0.4340 2.0310 0.8040 hc 1 MOL 0.124811 20 C9 -3.4920 0.1510 -0.0120 c3 1 MOL -0.346876 21 H12 -4.1870 -0.6640 0.2320 hc 1 MOL 0.124811 22 H13 -3.8490 1.0350 0.5340 hc 1 MOL 0.124811 23 H14 -3.5650 0.3600 -1.0820 hc 1 MOL 0.124811 24 O1 0.5820 -2.0390 -0.2890 O 1 MOL -0.490681 25 H15 -0.2290 -2.5690 -0.1150 H1 1 MOL 0.495304 26 C10 0.3850 -0.7870 1.8470 c3 1 MOL -0.052165 27 H16 -0.3420 -1.5330 2.1750 hc 1 MOL 0.052679 28 H17 1.3880 -1.1180 2.1350 hc 1 MOL 0.052679 29 H18 0.1830 0.1630 2.3510 hc 1 MOL 0.052679 30 H19 1.3200 -2.5150 0.1580 H2 1 MOL 0.495304 atomic charges (resp) for 1,4-pentadien-3-ol: 1 C1 0.0650 -0.0010 0.0720 c3 1 MOL 0.178211 2 C2 0.5750 1.3750 -0.4030 c2 1 MOL 0.021153 3 C3 -1.3990 -0.2530 -0.3280 c2 1 MOL 0.021153 4 C4 -2.4110 0.3660 0.6150 c3 1 MOL -0.300415 5 H1 -2.3940 -0.1010 1.6060 hc 1 MOL 0.096844 6 H2 -2.1910 1.4310 0.7690 hc 1 MOL 0.096844 7 H3 -3.4260 0.2820 0.2150 hc 1 MOL 0.096844 8 C5 1.7270 1.9400 0.3960 c3 1 MOL -0.300415 9 H4 2.2010 2.7890 -0.1030 hc 1 MOL 0.096844 10 H5 1.3890 2.2780 1.3830 hc 1 MOL 0.096844 11 H6 2.5010 1.1840 0.5750 hc 1 MOL 0.096844 12 C6 -1.8350 -0.8990 -1.4230 c2 1 MOL -0.101241 13 H7 -2.9190 -0.9710 -1.5260 hc 1 MOL 0.091067 14 C7 0.0430 1.9760 -1.4780 c2 1 MOL -0.101241 15 H8 -0.7960 1.4840 -1.9670 hc 1 MOL 0.091067 16 C8 -1.0700 -1.5090 -2.5720 c3 1 MOL -0.331165 17 H9 -0.2480 -0.8700 -2.9140 hc 1 MOL 0.110976 S10 18 H10 -0.6410 -2.4880 -2.3210 hc 1 MOL 0.110976 19 H11 -1.7420 -1.6630 -3.4230 hc 1 MOL 0.110976 20 C9 0.4540 3.2700 -2.1220 c3 1 MOL -0.331165 21 H12 1.3120 3.7510 -1.6440 hc 1 MOL 0.110976 22 H13 0.7050 3.1090 -3.1800 hc 1 MOL 0.110976 23 H14 -0.3790 3.9860 -2.1110 hc 1 MOL 0.110976 24 O1 0.1340 0.0420 1.5240 oh 1 MOL -0.645917 25 H15 -0.1190 -0.8430 1.8380 ho 1 MOL 0.453815 26 C10 1.0450 -1.1040 -0.3770 c3 1 MOL -0.205424 27 H16 1.2340 -1.0840 -1.4510 hc 1 MOL 0.071198 28 H17 1.9990 -0.9640 0.1390 hc 1 MOL 0.071198 29 H18 0.6530 -2.0920 -0.1090 hc 1 MOL 0.071198 10. 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114.586998 -10.261000 48.813000 C 113.997002 -10.282000 47.445999 C 114.247002 -11.297000 46.492001 C 113.637001 -11.206000 45.192001 C 112.818001 -10.120000 44.889999 H 112.370003 -10.068000 43.900002 C 112.571999 -9.116000 45.846001 H 111.928001 -8.278000 45.594002 C 113.148003 -9.199000 47.101002 H 112.969002 -8.430000 47.845001 N 123.853996 -15.517000 44.852001 H 124.319000 -15.915000 45.671001 N 118.155998 -16.606001 46.958000 H 117.745003 -15.746000 46.591000 N 119.519997 -6.179000 48.285999 H 120.538002 -6.238000 48.198002 N 118.737999 -10.940000 44.505001 H 117.929001 -11.433000 44.897999 S16 N 123.565002 -13.112000 54.540001 H 122.582001 -13.099000 54.806000 N 123.358002 -17.867001 50.629002 H 124.015999 -17.479000 49.951000 N 119.195000 -8.902000 54.335999 H 119.467003 -9.819000 54.701000 N 124.686996 -7.451000 51.973999 H 124.283997 -7.115000 51.099998 N 124.942001 -8.945000 45.320000 H 124.943001 -8.234000 46.050999 N 117.602997 -15.076000 53.460999 H 118.038002 -14.328000 54.002998 N 127.545998 -13.192000 48.957001 H 127.161003 -14.042000 48.534000 N 115.442001 -11.290000 49.111000 H 115.564003 -11.956000 48.345001 O 123.399002 -4.213000 46.341999 O 123.987000 -6.790000 46.646999 O 124.667999 -6.420000 49.490002 O 125.945000 -4.938000 47.683998 O 123.846001 -3.616000 49.124001 O 122.064003 -5.490000 48.554001 O 125.862000 -16.563999 46.247002 O 128.425003 -17.259001 46.372002 O 127.246002 -15.808000 48.632000 O 128.147995 -18.261999 49.071999 O 126.570999 -19.384001 46.922001 O 125.227997 -17.958000 48.709999 O 115.017998 -12.363000 46.716000 O 113.887001 -12.189000 44.318001 O 116.792999 -12.685000 44.551998 O 115.286003 -14.462000 43.294998 O 113.541000 -14.715000 45.641998 O 116.140999 -15.018000 46.104000 O 120.497002 -11.516000 58.313999 O 121.456001 -12.520000 56.053001 O 119.004997 -11.064000 55.816002 O 117.780998 -12.411000 57.730999 O 118.981003 -13.979000 55.498001 O 120.019997 -14.281000 57.929001 S17 O 125.648003 -12.643000 55.375999 O 126.723999 -7.629000 53.026001 O 129.119995 -12.475000 50.462002 O 124.296997 -14.841000 42.701000 O 123.778999 -9.452000 43.396999 O 119.958000 -10.711000 42.577999 O 117.555000 -18.684999 47.730000 O 114.305000 -9.365000 49.632999 O 117.530998 -7.328000 54.501999 O 122.444000 -19.875000 51.273998 O 117.916000 -4.711000 49.044998 O 117.199997 -17.337000 53.568001 GA 124.001999 -5.225000 47.949001 GA 126.928001 -17.570000 47.653999 GA 115.075996 -13.597000 45.088001 GA 119.598000 -12.630000 56.930000 O 121.655998 -12.521000 51.217999 H 121.175003 -12.395000 52.119999 H 122.389999 -11.779000 51.053001 O 123.558998 -10.903000 50.923000 H 124.172997 -11.426000 50.376999 H 123.355003 -10.100000 50.366001 O 120.412003 -12.243000 53.477001 H 120.913002 -11.981000 54.279999 H 119.958000 -13.057000 53.771999 O 123.014000 -8.765000 49.324001 H 122.196999 -8.342000 49.640999 H 123.670998 -8.033000 49.320999 C 118.978996 -11.683000 48.675999 C 119.843002 -11.647000 49.706001 C 120.742996 -12.845000 50.048000 C 121.720001 -13.239000 48.938000 C 122.128998 -12.316000 48.051998 H 118.371002 -10.792000 48.523998 C 122.202003 -14.664000 48.959000 H 121.397003 -15.355000 48.686001 H 123.030998 -14.836000 48.270000 H 122.535004 -14.941000 49.959000 C 119.908997 -14.001000 50.610001 H 119.241997 -14.410000 49.849998 S18 H 120.542000 -14.805000 50.993999 H 119.293999 -13.625000 51.428001 C 119.928001 -10.422000 50.585999 H 119.269997 -9.633000 50.209999 H 119.643997 -10.639000 51.619999 H 120.946999 -10.021000 50.617001 C 118.752998 -12.755000 47.645000 H 117.682999 -12.882000 47.443001 H 119.217003 -12.466000 46.694000 H 119.167000 -13.729000 47.912998 C 123.088997 -12.503000 46.917000 H 123.742996 -11.633000 46.840000 H 123.711998 -13.396000 47.005001 H 122.544998 -12.572000 45.966000 H 121.704002 -11.318000 48.122002 ***************************************** TS2-w3⊂3 C 119.531998 -15.082000 44.926998 H 118.456001 -14.949000 44.945999 C 122.336998 -15.363000 44.769001 C 120.274002 -14.328000 44.046001 H 119.776001 -13.635000 43.382000 C 121.676003 -14.440000 43.979000 H 122.235001 -13.806000 43.305000 C 120.171997 -16.018999 45.785000 C 121.597000 -16.198999 45.679001 C 119.444000 -16.819000 46.737000 C 122.233002 -17.205999 46.456001 H 123.294998 -17.396000 46.358002 C 120.119003 -17.745001 47.518002 H 119.575996 -18.329000 48.245998 C 121.500999 -17.954000 47.348000 H 121.990997 -18.718000 47.941002 C 117.119003 -17.582001 47.201000 C 115.689003 -17.214001 47.014000 C 115.242996 -16.010000 46.417000 C 114.732002 -18.164000 47.457001 H 115.093002 -19.073000 47.924999 C 113.833000 -15.813000 46.212002 S19 C 112.926003 -16.768999 46.662998 H 111.864998 -16.589001 46.509998 C 113.376999 -17.943001 47.293999 H 112.656998 -18.677999 47.645000 C 124.569000 -15.323000 43.661999 C 125.998001 -15.675000 43.889000 C 126.877998 -15.518000 42.787998 H 126.471001 -15.145000 41.854000 C 126.509003 -16.141001 45.122002 C 128.220001 -15.835000 42.901001 H 128.884995 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119.088997 -5.046000 48.943001 C 120.190002 -4.130000 49.354000 C 119.815002 -2.942000 50.029999 H 118.764999 -2.783000 50.248001 C 120.763000 -2.000000 50.389000 H 120.462997 -1.093000 50.908001 C 122.119003 -2.202000 50.067001 H 122.869003 -1.456000 50.319000 C 122.528000 -3.359000 49.404999 C 121.558998 -4.367000 49.078999 C 126.266998 -12.459000 45.132000 H 126.352997 -13.246000 44.390999 C 125.635002 -11.255000 44.768002 H 125.212997 -11.149000 43.779999 C 126.757004 -12.660000 46.402000 H 127.208000 -13.613000 46.657001 C 125.528000 -10.212000 45.678001 C 126.695999 -11.611000 47.360001 C 126.135002 -10.339000 46.981998 C 127.191002 -11.776000 48.701000 C 126.203003 -9.259000 47.904999 H 125.838997 -8.271000 47.646999 C 127.211998 -10.703000 49.575001 H 127.580002 -10.835000 50.582001 C 126.746002 -9.443000 49.155998 H 126.800003 -8.610000 49.845001 C 128.619003 -13.356000 49.984001 C 128.880005 -14.804000 50.209999 C 129.906006 -15.135000 51.130001 H 130.414993 -14.329000 51.646000 C 130.253998 -16.454000 51.362000 H 131.037994 -16.695999 52.075001 C 129.606003 -17.490000 50.661999 H 129.889008 -18.528999 50.816002 C 128.595001 -17.205999 49.745998 C 128.190002 -15.842000 49.541000 C 123.963997 -8.757000 44.368000 C 123.405998 -7.377000 44.347000 C 123.500999 -6.472000 45.431000 C 122.795998 -6.951000 43.140999 S21 H 122.704002 -7.664000 42.328999 C 122.347000 -5.649000 42.994999 H 121.883003 -5.333000 42.064999 C 123.101997 -5.106000 45.244999 C 122.514000 -4.722000 44.041000 H 122.195999 -3.688000 43.924000 C 120.495003 -7.167000 51.375999 H 120.084999 -6.648000 50.521999 C 119.616997 -7.770000 52.296001 H 118.546997 -7.705000 52.146000 C 121.861000 -7.234000 51.539001 H 122.486000 -6.718000 50.820000 C 120.120003 -8.447000 53.390999 C 122.422997 -7.955000 52.629002 C 121.539001 -8.579000 53.577999 C 123.845001 -8.075000 52.824001 C 122.086998 -9.284000 54.683998 H 121.438004 -9.740000 55.423000 C 124.334999 -8.795000 53.902000 H 125.400002 -8.903000 54.036999 C 123.452003 -9.380000 54.830002 H 123.866997 -9.909000 55.679001 C 126.003998 -7.093000 52.035999 C 126.615997 -6.371000 50.883999 C 125.928001 -6.027000 49.696999 C 127.982002 -6.017000 51.018002 H 128.501007 -6.307000 51.924999 C 128.638000 -5.318000 50.021000 H 129.688004 -5.059000 50.134998 C 127.945999 -4.925000 48.862000 H 128.442993 -4.354000 48.081001 C 126.600998 -5.253000 48.692001 C 118.082001 -8.532000 54.806000 C 117.357002 -9.381000 55.792999 C 116.117996 -8.899000 56.284000 H 115.745003 -7.953000 55.905998 C 117.847000 -10.619000 56.265999 C 115.401001 -9.616000 57.226002 H 114.448997 -9.238000 57.591000 C 115.902000 -10.834000 57.727001 S22 H 115.352997 -11.395000 58.479000 C 117.116997 -11.341000 57.271000 C 121.693001 -17.160999 52.421001 H 121.060997 -17.958000 52.056000 C 121.289001 -16.405001 53.537998 H 120.357002 -16.655001 54.032001 C 122.902000 -16.903000 51.797001 C 122.059998 -15.371000 54.015999 H 121.723999 -14.832000 54.894001 C 123.723000 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51.210999 H 116.537003 -9.661000 50.959000 S23 C 117.183998 -11.079000 52.452999 H 117.492996 -10.304000 53.140999 C 116.227997 -11.676000 50.312000 C 117.339996 -12.400000 52.805000 H 117.752998 -12.627000 53.779999 C 116.417000 -13.071000 50.618000 C 116.981003 -13.431000 51.894001 C 116.063004 -14.098000 49.700001 H 115.612999 -13.864000 48.742001 C 117.186996 -14.826000 52.193001 C 116.289001 -15.418000 50.018002 H 116.017998 -16.195000 49.313000 C 116.861000 -15.789000 51.250000 H 117.042999 -16.830999 51.463001 C 117.653999 -16.355000 54.108002 C 118.265999 -16.403000 55.465000 C 118.862000 -15.297000 56.116001 C 119.349998 -15.457000 57.459000 C 119.294998 -16.705999 58.073002 H 119.682999 -16.805000 59.083000 C 118.740997 -17.811001 57.400002 H 118.709000 -18.780001 57.890999 C 118.226997 -17.659000 56.125000 H 117.780998 -18.497999 55.603001 C 114.796997 -10.277000 48.837002 C 114.125000 -10.269000 47.508999 C 114.275002 -11.286000 46.536999 C 113.612000 -11.148000 45.268002 C 112.824997 -10.025000 45.019001 H 112.332001 -9.941000 44.053001 C 112.666000 -9.027000 45.999001 H 112.043999 -8.161000 45.791000 C 113.303001 -9.149000 47.221001 H 113.198997 -8.381000 47.980000 N 123.734001 -15.515000 44.730999 H 124.209000 -15.855000 45.571999 N 118.049004 -16.642000 46.827999 H 117.639000 -15.780000 46.463001 N 119.473999 -6.114000 48.172001 H 120.486000 -6.152000 48.026001 S24 N 118.651001 -10.916000 44.467999 H 117.819000 -11.381000 44.846001 N 123.639999 -13.178000 54.909000 H 122.640999 -13.166000 55.113998 N 123.351997 -17.687000 50.717999 H 124.008003 -17.283001 50.047001 N 119.265999 -9.042000 54.339001 H 119.517998 -9.955000 54.729000 N 124.689003 -7.452000 51.889999 H 124.292999 -7.175000 50.992001 N 124.862000 -9.012000 45.380001 H 124.833000 -8.295000 46.108002 N 117.747002 -15.158000 53.441002 H 118.218002 -14.429000 53.978001 N 127.620003 -13.057000 49.092999 H 127.167000 -13.876000 48.676998 N 115.627998 -11.342000 49.084000 H 115.662003 -12.020000 48.320999 O 123.322998 -4.251000 46.257000 O 123.966003 -6.804000 46.638000 O 124.652000 -6.356000 49.439999 O 125.896004 -4.872000 47.617001 O 123.799004 -3.579000 49.042999 O 122.025002 -5.479000 48.499001 O 125.776001 -16.280001 46.231998 O 128.322006 -17.018000 46.381001 O 127.176003 -15.643000 48.692001 O 127.973000 -18.150999 49.028999 O 126.369003 -19.097000 46.813000 O 125.091003 -17.711000 48.682999 O 114.998001 -12.393000 46.716999 O 113.778999 -12.127000 44.368000 O 116.690002 -12.643000 44.498001 O 115.149002 -14.373000 43.219002 O 113.446999 -14.693000 45.584000 O 116.049004 -15.029000 46.006001 O 120.306999 -11.572000 58.448002 O 121.425003 -12.615000 56.280998 O 118.984001 -11.177000 55.846001 O 117.660004 -12.482000 57.726002 S25 O 118.987000 -14.079000 55.577000 O 119.841003 -14.372000 58.075001 O 125.652000 -12.559000 55.823002 O 126.656998 -7.329000 53.070000 O 129.289001 -12.475000 50.556000 O 124.165001 -14.909000 42.557999 O 123.677002 -9.591000 43.488998 O 119.935997 -10.753000 42.577999 O 117.439003 -18.698000 47.653000 O 114.601997 -9.371000 49.669998 O 117.641998 -7.424000 54.443001 O 122.385002 -19.691999 51.286999 O 117.903000 -4.831000 49.262001 O 117.083000 -17.351000 53.625000 GA 123.958000 -5.199000 47.887001 GA 126.801003 -17.337000 47.632999 GA 114.980003 -13.570000 45.042999 GA 119.515999 -12.725000 57.027000 O 122.292000 -12.607000 51.370998 H 121.782997 -12.400000 52.188000 H 122.910004 -11.849000 51.216000 O 124.240997 -10.742000 50.938000 H 124.851997 -11.309000 50.436001 H 123.947998 -10.065000 50.278000 O 120.643997 -12.269000 53.599998 H 120.969002 -12.049000 54.498001 H 120.198997 -13.123000 53.744999 O 123.338997 -8.899000 49.084999 H 122.482002 -8.630000 49.457001 H 123.871002 -8.073000 49.099998 C 119.052002 -11.772000 48.435001 C 119.959000 -11.828000 49.426998 C 120.723000 -13.088000 49.657001 C 121.762001 -13.497000 48.761002 C 122.176003 -12.580000 47.832001 H 118.490997 -10.844000 48.337002 C 122.404999 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120.053001 -16.223000 45.661999 C 121.486000 -16.346001 45.611000 C 119.332001 -16.959000 46.667000 C 122.136002 -17.259001 46.485001 H 123.209999 -17.402000 46.438000 C 120.013000 -17.806999 47.527000 H 119.470001 -18.348000 48.287998 C 121.406998 -17.974001 47.409000 H 121.910004 -18.669001 48.071999 C 116.995003 -17.684000 47.146000 C 115.573997 -17.271000 46.974998 C 115.167000 -16.042999 46.398998 C 114.587997 -18.212000 47.365002 S27 H 114.917000 -19.142000 47.816002 C 113.772003 -15.817000 46.143002 C 112.833000 -16.766001 46.540001 H 111.780998 -16.566999 46.351002 C 113.242996 -17.961000 47.162998 H 112.498001 -18.690001 47.471001 C 124.424004 -15.596000 43.539001 C 125.872002 -15.829000 43.785999 C 126.733002 -15.769000 42.660999 H 126.301003 -15.524000 41.696999 C 126.417000 -16.122000 45.058998 C 128.087006 -16.023001 42.787998 H 128.738007 -15.965000 41.918999 C 127.811996 -16.448000 45.168999 C 128.626007 -16.374001 44.040001 H 129.684006 -16.603001 44.146999 C 118.805000 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121.082001 -2.548000 51.219002 H 120.833000 -1.759000 51.924000 C 122.396004 -2.648000 50.721001 H 123.161003 -1.937000 51.023998 C 122.740997 -3.653000 49.818001 C 121.748001 -4.609000 49.418999 C 125.800003 -12.529000 45.084000 H 125.677002 -13.398000 44.449001 C 125.177002 -11.322000 44.702999 H 124.544998 -11.293000 43.828999 C 126.514000 -12.638000 46.257000 H 126.930000 -13.602000 46.529999 C 125.346001 -10.184000 45.476002 C 126.732002 -11.489000 47.068001 C 126.231003 -10.219000 46.617001 C 127.462997 -11.537000 48.313000 C 126.643997 -9.034000 47.284000 H 126.351997 -8.054000 46.924999 C 127.817001 -10.354000 48.945000 H 128.376007 -10.383000 49.868000 C 127.455002 -9.113000 48.390999 H 127.807999 -8.208000 48.866001 C 128.677002 -13.106000 49.835999 C 128.837006 -14.550000 50.160999 C 129.807999 -14.876000 51.143002 H 130.326996 -14.065000 51.641998 C 130.098999 -16.194000 51.445999 H 130.841003 -16.429001 52.205002 C 129.453003 -17.236000 50.754002 H 129.697006 -18.275999 50.957001 C 128.494995 -16.955999 49.782001 C 128.130997 -15.591000 49.515999 C 123.778000 -8.628000 44.268002 C 123.268997 -7.230000 44.356998 S29 C 123.467003 -6.391000 45.480999 C 122.617996 -6.707000 43.213001 H 122.452003 -7.367000 42.368000 C 122.228996 -5.378000 43.164001 H 121.732002 -4.988000 42.279999 C 123.129997 -4.999000 45.393002 C 122.498001 -4.520000 44.248001 H 122.227997 -3.467000 44.202999 C 120.538002 -7.842000 51.069000 H 120.181000 -7.600000 50.080002 C 119.612000 -8.239000 52.051998 H 118.554001 -8.275000 51.820999 C 121.889000 -7.801000 51.327000 H 122.544998 -7.471000 50.532001 C 120.063004 -8.644000 53.292000 C 122.394997 -8.192000 52.596001 C 121.467003 -8.635000 53.599998 C 123.801003 -8.165000 52.915001 C 121.953003 -9.047000 54.869999 H 121.267998 -9.377000 55.643002 C 124.232002 -8.592000 54.162998 H 125.283997 -8.578000 54.400002 C 123.304001 -9.020000 55.131001 H 123.671997 -9.321000 56.105000 C 126.046997 -7.678000 51.924999 C 126.691002 -6.891000 50.835999 C 126.007004 -6.377000 49.712002 C 128.082001 -6.656000 50.966000 H 128.598007 -7.074000 51.823002 C 128.768005 -5.906000 50.025002 H 129.835007 -5.732000 50.137001 C 128.084000 -5.354000 48.926998 H 128.606995 -4.749000 48.189999 C 126.714996 -5.566000 48.763000 C 117.930000 -8.715000 54.582001 C 117.250000 -9.482000 55.666000 C 115.931000 -9.101000 56.018002 H 115.484001 -8.255000 55.507999 C 117.839996 -10.590000 56.317001 C 115.225998 -9.801000 56.983002 S30 H 114.213997 -9.502000 57.243000 C 115.809998 -10.907000 57.632999 H 115.260002 -11.461000 58.389999 C 117.106003 -11.312000 57.318001 C 121.799004 -17.006001 52.581001 H 121.196999 -17.848000 52.273998 C 121.398003 -16.231001 53.685001 H 120.500000 -16.510000 54.223999 C 122.968002 -16.709999 51.897999 C 122.128998 -15.138000 54.091000 H 121.793999 -14.584000 54.959999 C 123.746002 -15.555000 52.270000 C 123.302002 -14.756000 53.382000 C 124.922997 -15.167000 51.568001 H 125.300003 -15.757000 50.740002 C 124.063004 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50.344002 C 116.766998 -12.223000 52.917000 H 117.116997 -12.462000 53.916000 C 116.293999 -12.861000 50.575001 C 116.806000 -13.195000 51.880001 C 116.300003 -13.855000 49.558998 H 115.891998 -13.661000 48.574001 C 117.341003 -14.511000 52.096001 C 116.835999 -15.099000 49.801998 H 116.852997 -15.837000 49.009998 C 117.372002 -15.429000 51.061001 H 117.809998 -16.405001 51.219002 C 117.711998 -16.052999 53.993000 C 118.277000 -16.181000 55.362999 C 118.857002 -15.117000 56.095001 C 119.348000 -15.372000 57.423000 C 119.290001 -16.659000 57.951000 H 119.678001 -16.826000 58.952999 C 118.734001 -17.715000 57.205002 H 118.697998 -18.715000 57.629002 C 118.231003 -17.476999 55.938999 H 117.792999 -18.280001 55.358002 C 114.518997 -10.158000 48.680000 C 113.991997 -10.196000 47.289001 C 114.220001 -11.252000 46.374001 C 113.661003 -11.160000 45.049999 C 112.920998 -10.038000 44.686001 H 112.515999 -9.991000 43.676998 C 112.696999 -8.995000 45.603001 H 112.113998 -8.127000 45.304001 C 113.220001 -9.076000 46.881001 H 113.056999 -8.279000 47.597000 N 123.613998 -15.639000 44.645000 H 124.109001 -15.835000 45.519001 N 117.939003 -16.773001 46.743000 H 117.543999 -15.898000 46.390999 S32 N 119.591003 -6.150000 48.360001 H 120.577003 -6.114000 48.090000 N 118.725998 -10.917000 44.619999 H 117.872002 -11.367000 44.966000 N 123.636002 -12.854000 54.862000 H 122.653999 -12.914000 55.125999 N 123.414001 -17.507000 50.827000 H 124.035004 -17.096001 50.125999 N 119.190002 -9.139000 54.277000 H 119.504997 -9.944000 54.827000 N 124.676003 -7.643000 51.950001 H 124.273003 -7.187000 51.132000 N 124.702003 -8.962000 45.228001 H 124.730003 -8.278000 45.987999 N 117.852997 -14.836000 53.373001 H 118.292999 -14.111000 53.942001 N 127.785004 -12.802000 48.835999 H 127.280998 -13.618000 48.479000 N 115.295998 -11.224000 49.063999 H 115.432999 -11.906000 48.317001 O 123.455002 -4.216000 46.436001 O 123.985001 -6.809000 46.638000 O 124.705002 -6.588000 49.465000 O 126.019997 -5.042000 47.741001 O 123.966003 -3.770000 49.285999 O 122.152000 -5.582000 48.598000 O 125.706001 -16.141001 46.192001 O 128.268005 -16.818001 46.374001 O 127.144997 -15.393000 48.633999 O 127.890999 -17.910999 49.062000 O 126.334999 -18.900999 46.844002 O 125.049004 -17.504000 48.705002 O 114.918999 -12.353000 46.657001 O 113.878998 -12.178000 44.209000 O 116.759003 -12.662000 44.566002 O 115.311996 -14.432000 43.230000 O 113.434998 -14.679000 45.515999 O 116.001999 -15.063000 46.042999 O 120.416000 -11.579000 58.640999 O 121.467003 -12.483000 56.376999 S33 O 119.072998 -11.026000 56.062000 O 117.722000 -12.351000 57.903000 O 118.973999 -13.866000 55.645000 O 119.851997 -14.334000 58.110001 O 125.644997 -12.083000 55.660999 O 126.727997 -8.271000 52.782001 O 129.354004 -12.239000 50.423000 O 123.981003 -15.402000 42.389999 O 123.438004 -9.398000 43.349998 O 120.084000 -10.777000 42.778999 O 117.295998 -18.806000 47.596001 O 114.253998 -9.208000 49.442001 O 117.376999 -7.760000 54.000000 O 122.490997 -19.523001 51.431000 O 118.182999 -5.337000 49.986000 O 117.135002 -17.010000 53.442001 GA 124.070000 -5.292000 47.993000 GA 126.748001 -17.118999 47.634998 GA 115.017998 -13.592000 45.022999 GA 119.570999 -12.621000 57.174000 O 122.535004 -11.359000 51.458000 H 122.111000 -11.458000 52.334999 H 123.456001 -11.062000 51.612000 O 125.236000 -10.621000 51.051998 H 125.365997 -11.499000 50.655998 H 124.855003 -10.089000 50.310001 O 120.778000 -11.916000 53.673000 H 120.983002 -11.810000 54.625000 H 120.558998 -12.859000 53.610001 O 123.957001 -9.282000 48.973999 H 123.049004 -9.334000 49.317001 H 124.203003 -8.330000 49.063999 C 118.875999 -12.185000 48.217999 C 119.592003 -12.150000 49.376999 C 120.553001 -13.185000 49.708000 C 121.566002 -13.597000 48.794998 C 121.971001 -12.665000 47.866001 H 118.152000 -11.383000 48.083000 C 122.321999 -14.881000 49.022999 H 121.657997 -15.686000 49.342999 S34 H 122.834999 -15.213000 48.120998 H 123.078003 -14.733000 49.799999 C 120.512001 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123.430000 -17.084000 47.264999 C 120.292000 -17.231001 48.556999 H 119.793999 -17.525000 49.472000 C 121.689003 -17.379000 48.431000 H 122.252998 -17.775000 49.264999 C 117.290001 -17.572001 47.918999 C 115.866997 -17.382999 47.523998 S35 C 115.375000 -16.229000 46.867001 C 114.972000 -18.438999 47.828999 H 115.362000 -19.309999 48.345001 C 113.992996 -16.174999 46.478001 C 113.146004 -17.233000 46.793999 H 112.100998 -17.169001 46.500999 C 113.636002 -18.365000 47.476002 H 112.960999 -19.181000 47.716999 C 124.526001 -15.521000 43.993999 C 125.975998 -15.777000 44.209000 C 126.867996 -15.285000 43.223000 H 126.454002 -14.746000 42.377998 C 126.499001 -16.469000 45.327000 C 128.231003 -15.495000 43.328999 H 128.904007 -15.113000 42.564999 C 127.913002 -16.708000 45.416000 C 128.755005 -16.211000 44.423000 H 129.824005 -16.393000 44.508999 C 118.598999 -7.108000 48.063999 C 117.317001 -9.075000 46.483002 H 116.811996 -9.804000 45.856998 C 116.620003 -7.996000 46.979000 H 115.566002 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122.403999 -3.358000 49.903000 C 121.404999 -4.337000 49.569000 C 124.396004 -13.028000 46.234001 H 123.906998 -13.893000 45.806999 C 123.990997 -11.750000 45.805000 H 123.224998 -11.658000 45.049999 C 125.337997 -13.199000 47.223000 H 125.583000 -14.205000 47.547001 C 124.530998 -10.614000 46.389999 C 125.943001 -12.064000 47.828999 C 125.554001 -10.743000 47.401001 C 126.889999 -12.184000 48.904999 C 126.142998 -9.607000 48.027000 H 125.878998 -8.601000 47.719002 C 127.445000 -11.051000 49.474998 H 128.162994 -11.153000 50.277000 C 127.069000 -9.767000 49.033001 H 127.517998 -8.894000 49.495998 C 127.388000 -13.844000 50.678001 C 127.714996 -15.277000 50.914001 C 128.216995 -15.616000 52.195000 H 128.281006 -14.835000 52.945999 C 128.630997 -16.906000 52.477001 H 129.014999 -17.153000 53.464001 C 128.576004 -17.900000 51.480999 H 128.925995 -18.910000 51.681999 C 128.080994 -17.608000 50.210999 C 127.588997 -16.285999 49.931999 S37 C 123.314003 -8.895000 45.043999 C 122.904999 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50.438999 H 129.604004 -6.513000 50.439999 C 127.841003 -5.932000 49.331001 H 128.391006 -5.528000 48.485001 C 126.447998 -5.879000 49.306000 C 117.537003 -8.510000 55.138000 C 116.968002 -9.543000 56.049999 C 115.685997 -9.293000 56.598000 H 115.149002 -8.408000 56.271000 S38 C 117.669998 -10.707000 56.445999 C 115.142998 -10.142000 57.547001 H 114.157997 -9.940000 57.959999 C 115.872002 -11.259000 58.001999 H 115.467003 -11.910000 58.772999 C 117.134003 -11.541000 57.483002 C 122.725998 -18.392000 53.192001 H 122.569000 -19.461000 53.250999 C 122.349998 -17.565001 54.271999 H 121.886002 -18.014999 55.143002 C 123.323997 -17.849001 52.067001 C 122.584999 -16.208000 54.245998 H 122.309998 -15.596000 55.098000 C 123.538002 -16.429001 51.977001 C 123.185997 -15.612000 53.105999 C 124.069000 -15.808000 50.811001 H 124.313004 -16.391001 49.931000 C 123.449997 -14.206000 53.035000 C 124.254997 -14.444000 50.769001 H 124.627998 -13.979000 49.863998 C 123.966003 -13.641000 51.889000 H 124.116997 -12.575000 51.848000 C 123.276001 -19.826000 50.539001 C 123.973000 -20.393999 49.352001 C 124.927002 -19.679001 48.590000 C 123.682999 -21.740000 49.015999 H 122.936996 -22.268000 49.599998 C 124.353996 -22.372999 47.983002 H 124.126999 -23.406000 47.736000 C 125.661003 -20.361000 47.561001 C 125.351997 -21.687000 47.264000 H 125.906998 -22.184000 46.471001 C 124.106003 -12.650000 54.820999 C 123.666000 -12.046000 56.110001 C 124.667000 -11.511000 56.957001 H 125.694000 -11.517000 56.608002 C 122.320000 -12.036000 56.540001 C 124.344002 -11.011000 58.208000 H 125.121002 -10.613000 58.854000 C 121.987999 -11.511000 57.835999 S39 C 123.004997 -11.015000 58.651001 H 122.744003 -10.628000 59.632999 C 115.702003 -10.803000 51.668999 H 115.461998 -9.768000 51.479000 C 116.303001 -11.177000 52.886002 H 116.478996 -10.415000 53.636002 C 115.428001 -11.765000 50.707001 C 116.693001 -12.475000 53.132999 H 117.174004 -12.700000 54.077999 C 115.737999 -13.151000 50.966000 C 116.453003 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45.609001 S40 N 118.153000 -16.549999 47.604000 H 117.710999 -15.764000 47.120998 N 119.334999 -6.108000 48.710999 H 120.356003 -6.197000 48.687000 N 118.862999 -11.256000 45.433998 H 117.943001 -11.644000 45.664001 N 123.171997 -13.401000 54.165001 H 122.246002 -13.433000 54.598000 N 123.790001 -18.642000 51.004002 H 124.502998 -18.242001 50.388000 N 118.852997 -8.693000 54.810001 H 119.241997 -9.578000 55.148998 N 124.391998 -6.950000 52.932999 H 124.005997 -6.578000 52.066002 N 124.087997 -9.315000 46.096001 H 124.166000 -8.617000 46.840000 N 117.661003 -15.158000 53.486000 H 118.079002 -14.389000 54.014000 N 127.238998 -13.472000 49.361000 H 127.162003 -14.261000 48.716999 N 114.865997 -11.473000 49.456001 H 114.897003 -12.213000 48.750000 O 123.299004 -4.360000 46.974998 O 123.625999 -6.979000 47.352001 O 124.367996 -6.458000 50.262001 O 125.761002 -5.312000 48.304001 O 123.689003 -3.690000 49.706001 O 121.856003 -5.523000 49.153000 O 125.748001 -16.937000 46.326000 O 128.363998 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48.611000 GA 126.893997 -17.867001 47.721001 GA 115.066002 -13.831000 45.432999 GA 119.628998 -12.660000 56.931999 O 122.907997 -10.344000 52.837002 H 122.785004 -10.152000 53.780998 H 123.888000 -10.339000 52.700001 O 125.499001 -10.380000 51.915001 H 125.037003 -10.748000 51.118999 H 125.773003 -9.497000 51.618000 O 122.710999 -8.728000 50.597000 H 122.734001 -9.041000 51.529999 H 123.364998 -7.997000 50.520000 C 118.391998 -11.359000 49.467999 C 119.122002 -11.108000 50.609001 C 119.805000 -12.147000 51.331001 C 120.401001 -13.242000 50.617001 C 121.013000 -12.898000 49.438999 H 117.875000 -10.489000 49.066002 C 120.417999 -14.650000 51.167000 H 120.209000 -14.686000 52.236000 H 119.637001 -15.233000 50.660999 S42 H 121.371002 -15.148000 50.987000 C 120.003998 -12.017000 52.801998 H 120.116997 -12.979000 53.300999 H 120.953003 -11.473000 52.935001 H 119.222000 -11.440000 53.293999 C 119.123001 -9.713000 51.196999 H 118.652000 -9.002000 50.514000 H 118.582001 -9.677000 52.147999 H 120.147003 -9.376000 51.388000 C 118.101997 -12.614000 48.705002 H 117.083000 -12.577000 48.313999 H 118.755997 -12.677000 47.826000 H 118.237000 -13.529000 49.285000 C 121.730003 -13.789000 48.506001 H 121.875999 -14.802000 48.873001 H 121.139999 -13.837000 47.576000 H 122.695000 -13.352000 48.229000 H 120.997002 -11.854000 49.147999 O 123.720001 -11.141000 49.945999 H 124.113998 -11.132000 49.060001 H 123.335999 -10.233000 50.062000 ***************************************** TS4-w3’⊂3 C 119.171997 -11.470000 49.363998 C 119.462997 -11.305000 50.734001 C 119.947998 -12.410000 51.457001 C 120.499001 -13.404000 50.609001 C 121.030998 -12.931000 49.398998 H 119.219002 -10.546000 48.796001 C 120.432999 -14.875000 50.907001 H 120.310997 -15.071000 51.973999 H 119.556000 -15.291000 50.393002 H 121.313004 -15.406000 50.543999 C 120.013000 -12.432000 52.949001 H 120.157997 -13.437000 53.346001 H 120.884003 -11.836000 53.252998 H 119.135002 -11.985000 53.417000 C 119.355003 -9.945000 51.369999 H 119.166000 -9.167000 50.625999 S43 H 118.519997 -9.939000 52.082001 H 120.261002 -9.694000 51.928001 C 118.375999 -12.524000 48.646999 H 117.385002 -12.098000 48.445999 H 118.808998 -12.744000 47.665001 H 118.261002 -13.451000 49.207001 C 121.338997 -13.805000 48.240002 H 122.302002 -14.306000 48.417999 H 120.584999 -14.580000 48.091999 H 121.450996 -13.215000 47.327000 H 121.513000 -11.960000 49.402000 C 119.514000 -15.947000 44.955002 H 118.431000 -15.917000 44.963001 C 122.341003 -16.027000 44.847000 C 120.192001 -15.525000 43.834999 H 119.638000 -15.173000 42.972000 C 121.598999 -15.558000 43.772999 H 122.103996 -15.231000 42.875999 C 120.232002 -16.429001 46.083000 C 121.668999 -16.476999 46.042000 C 119.556999 -16.879000 47.269001 C 122.370003 -16.965000 47.180000 H 123.453003 -16.976000 47.213001 C 120.275002 -17.375000 48.341000 H 119.755997 -17.701000 49.233002 C 121.682999 -17.410000 48.287998 H 122.235001 -17.753000 49.153000 C 117.273003 -17.730000 47.722000 C 115.837997 -17.466999 47.417999 C 115.370003 -16.271999 46.821999 C 114.911003 -18.493000 47.729000 H 115.281998 -19.396999 48.199001 C 113.982002 -16.146999 46.478001 C 113.101997 -17.180000 46.793999 H 112.052002 -17.066000 46.537998 C 113.567001 -18.349001 47.428001 H 112.865997 -19.143000 47.671001 C 124.629997 -15.418000 44.029999 C 126.070999 -15.685000 44.292000 C 127.002998 -15.160000 43.362000 S44 H 126.625000 -14.587000 42.521999 C 126.544998 -16.424999 45.400002 C 128.360001 -15.384000 43.513000 H 129.063995 -14.979000 42.791000 C 127.954002 -16.676001 45.536999 C 128.837006 -16.145000 44.598999 H 129.899994 -16.337000 44.719002 C 118.559998 -7.012000 47.951000 C 117.278999 -8.936000 46.317001 H 116.775002 -9.648000 45.672001 C 116.585999 -7.862000 46.828999 H 115.532997 -7.742000 46.591999 C 117.217003 -6.886000 47.631001 H 116.662003 -6.026000 47.976002 C 118.653000 -9.112000 46.641998 C 119.294998 -8.176000 47.520000 C 119.430000 -10.206000 46.137001 C 120.625999 -8.429000 47.951000 H 121.095001 -7.805000 48.699001 C 120.734001 -10.396000 46.549000 H 121.285004 -11.251000 46.181000 C 121.317001 -9.527000 47.487999 H 122.306000 -9.743000 47.868000 C 119.341003 -11.558000 44.070000 C 118.500999 -12.531000 43.320999 C 117.363998 -13.156000 43.882000 C 116.628998 -14.120000 43.109001 C 117.044998 -14.413000 41.811001 H 116.477997 -15.139000 41.234001 C 118.169998 -13.772000 41.252998 H 118.473999 -14.009000 40.237000 C 118.889000 -12.851000 41.998001 H 119.766998 -12.365000 41.584999 C 118.902000 -4.872000 49.229000 C 120.014000 -3.986000 49.681000 C 119.661003 -2.739000 50.252998 H 118.608002 -2.504000 50.368999 C 120.635002 -1.838000 50.646000 H 120.351997 -0.886000 51.089001 C 121.999001 -2.138000 50.460999 S45 H 122.768997 -1.423000 50.741001 C 122.390999 -3.353000 49.900002 C 121.385002 -4.318000 49.549999 C 124.274002 -12.995000 46.256001 H 123.750000 -13.853000 45.856998 C 123.919998 -11.716000 45.784000 H 123.167000 -11.620000 45.015999 C 125.219002 -13.169000 47.242001 H 125.438004 -14.172000 47.591000 C 124.498001 -10.583000 46.337002 C 125.872002 -12.039000 47.806999 C 125.516998 -10.717000 47.349998 C 126.829002 -12.160000 48.874001 C 126.139000 -9.584000 47.946999 H 125.897003 -8.579000 47.619999 C 127.421997 -11.030000 49.409000 H 128.147995 -11.134000 50.202999 C 127.070999 -9.745000 48.946999 H 127.543999 -8.874000 49.389999 C 127.299004 -13.789000 50.681000 C 127.608002 -15.219000 50.952000 C 128.080002 -15.537000 52.249001 H 128.136993 -14.742000 52.985001 C 128.475006 -16.826000 52.564999 H 128.835999 -17.058001 53.563000 C 128.431000 -17.839001 51.585999 H 128.766998 -18.848000 51.814999 C 127.966003 -17.566999 50.300999 C 127.490997 -16.247000 49.987000 C 123.322998 -8.855000 44.959999 C 122.933998 -7.419000 44.987000 C 123.163002 -6.551000 46.084999 C 122.365997 -6.899000 43.797001 H 122.178001 -7.585000 42.978001 C 122.078003 -5.552000 43.673000 H 121.638000 -5.167000 42.756001 C 122.936996 -5.141000 45.914001 C 122.377998 -4.669000 44.728001 H 122.194000 -3.601000 44.632000 C 120.134003 -6.402000 52.286999 S46 H 119.761002 -5.782000 51.481998 C 119.212997 -7.137000 53.058998 H 118.160004 -7.115000 52.816002 C 121.491997 -6.483000 52.507999 H 122.155998 -5.924000 51.856998 C 119.666000 -7.928000 54.098999 C 121.999001 -7.262000 53.584000 C 121.065002 -7.947000 54.436001 C 123.410004 -7.416000 53.853001 C 121.538002 -8.622000 55.594002 H 120.851997 -9.120000 56.269001 C 123.820999 -8.036000 55.025002 H 124.872002 -8.115000 55.250999 C 122.878998 -8.616000 55.894001 H 123.231003 -9.096000 56.799000 C 125.656998 -7.278000 52.779999 C 126.329002 -6.891000 51.506001 C 125.652000 -6.438000 50.351002 C 127.747002 -6.938000 51.502998 H 128.251999 -7.318000 52.383999 C 128.470001 -6.484000 50.414001 H 129.554993 -6.527000 50.422001 C 127.802002 -5.934000 49.304001 H 128.358994 -5.530000 48.462002 C 126.410004 -5.874000 49.271000 C 117.509003 -8.657000 55.150002 C 116.995003 -9.660000 56.126999 C 115.698997 -9.443000 56.655998 H 115.124001 -8.604000 56.278999 C 117.750999 -10.765000 56.588001 C 115.188004 -10.268000 57.644001 H 114.193001 -10.090000 58.042000 C 115.963997 -11.327000 58.155998 H 115.583000 -11.959000 58.955002 C 117.241997 -11.575000 57.658001 C 122.516998 -18.305000 53.153999 H 122.320000 -19.367001 53.202999 C 122.139999 -17.469999 54.226002 H 121.632004 -17.905001 55.081001 C 123.166000 -17.778000 52.048000 S47 C 122.432999 -16.122999 54.217999 H 122.160004 -15.510000 55.070000 C 123.421997 -16.365000 51.966999 C 123.083000 -15.543000 53.095001 C 123.969002 -15.754000 50.803001 H 124.200996 -16.341999 49.922001 C 123.399002 -14.145000 53.036999 C 124.170998 -14.393000 50.759998 H 124.541000 -13.930000 49.853001 C 123.912003 -13.588000 51.886002 H 124.092003 -12.526000 51.847000 C 123.117996 -19.754999 50.518002 C 123.839996 -20.337999 49.354000 C 124.827003 -19.641001 48.616001 C 123.539001 -21.680000 49.014000 H 122.766998 -22.194000 49.577000 C 124.230003 -22.327999 48.004002 H 123.992996 -23.358999 47.752998 C 125.581001 -20.340000 47.612999 C 125.259003 -21.662001 47.311001 H 125.830002 -22.172001 46.537998 C 124.112999 -12.541000 54.764999 C 123.726997 -11.964000 56.084999 C 124.751999 -11.380000 56.868000 H 125.754997 -11.338000 56.455002 C 122.413002 -12.021000 56.599998 C 124.484001 -10.892000 58.136002 H 125.279999 -10.457000 58.734001 C 122.133003 -11.494000 57.907001 C 123.175003 -10.949000 58.658001 H 122.956001 -10.566000 59.652000 C 115.638000 -10.913000 51.824001 H 115.329002 -9.894000 51.651001 C 116.135002 -11.290000 53.088001 H 116.161003 -10.549000 53.877998 C 115.533997 -11.849000 50.806000 C 116.584999 -12.567000 53.334999 H 116.966003 -12.808000 54.320999 C 115.943001 -13.214000 51.042000 C 116.536003 -13.553000 52.310001 S48 C 115.775002 -14.233000 50.066002 H 115.281998 -14.039000 49.122002 C 117.054001 -14.885000 52.500000 C 116.237999 -15.506000 50.306000 H 116.087997 -16.278999 49.563000 C 116.908997 -15.831000 51.498001 H 117.304001 -16.826000 51.633999 C 117.917999 -16.413000 54.271000 C 118.723999 -16.444000 55.520000 C 119.189003 -15.290000 56.195999 C 119.936996 -15.447000 57.415001 C 120.223999 -16.725000 57.889999 H 120.800003 -16.819000 58.807999 C 119.763000 -17.867001 57.207001 H 119.990997 -18.856001 57.595001 C 119.019997 -17.726999 56.049000 H 118.656998 -18.598000 55.515999 C 114.460999 -10.386000 49.064999 C 114.042999 -10.404000 47.634998 C 114.279999 -11.480000 46.744999 C 113.820000 -11.383000 45.384998 C 113.169998 -10.227000 44.958000 H 112.835999 -10.172000 43.924999 C 112.939003 -9.161000 45.849998 H 112.421997 -8.270000 45.501999 C 113.362999 -9.253000 47.162998 H 113.191002 -8.439000 47.859001 N 123.744003 -16.122000 44.810001 H 124.206001 -16.663000 45.542999 N 118.153000 -16.767000 47.306000 H 117.711998 -15.962000 46.853001 N 119.301003 -6.038000 48.632000 H 120.320999 -6.131000 48.602001 N 118.817001 -11.118000 45.251999 H 117.917999 -11.534000 45.514000 N 123.178001 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116.905998 -12.903000 45.109001 O 115.556000 -14.687000 43.682999 O 113.598000 -15.021000 45.854000 O 116.147003 -15.225000 46.539001 O 120.866997 -11.570000 58.351002 O 121.385002 -12.559000 55.944000 O 118.949997 -11.103000 56.108002 O 118.041000 -12.541000 58.137001 O 118.964996 -14.040000 55.786999 O 120.324997 -14.336000 58.056000 O 125.238998 -12.352000 54.264000 O 126.297997 -7.814000 53.700001 O 127.223999 -12.951000 51.597000 O 124.264999 -14.616000 43.148998 O 123.028999 -9.597000 44.006001 S50 O 120.435997 -11.150000 43.632000 O 117.649002 -18.778000 48.283001 O 114.272003 -9.386000 49.784000 O 116.791000 -7.744000 54.696999 O 122.134003 -20.316000 51.036999 O 117.704002 -4.556000 49.375000 O 117.447998 -17.458000 53.778999 GA 123.778999 -5.345000 48.554001 GA 126.842003 -17.862000 47.785999 GA 115.139999 -13.836000 45.448002 GA 119.745003 -12.681000 57.118000 O 122.845001 -10.315000 52.736000 H 122.706001 -10.113000 53.674999 H 123.821999 -10.261000 52.605000 O 125.442001 -10.255000 51.779999 H 124.975998 -10.674000 51.013000 H 125.696999 -9.386000 51.428001 O 122.632004 -8.694000 50.469002 H 122.649002 -9.000000 51.403999 H 123.299004 -7.974000 50.393002 O 123.643997 -11.105000 49.875000 H 123.972000 -11.160000 48.965000 H 123.264000 -10.189000 49.956001 ***************************************** 5-w3⊂3 C 119.494003 -15.616000 44.479000 H 118.412003 -15.555000 44.459999 C 122.327003 -15.748000 44.455002 C 120.216003 -15.209000 43.380001 H 119.697998 -14.834000 42.505001 C 121.623001 -15.259000 43.363998 H 122.158997 -14.905000 42.497002 C 120.170998 -16.108999 45.626999 C 121.608002 -16.205000 45.620998 C 119.455002 -16.510000 46.805000 C 122.261002 -16.724001 46.771000 H 123.337997 -16.833000 46.812000 C 120.137001 -16.959999 47.922001 H 119.591003 -17.231001 48.817001 S51 C 121.539001 -17.073999 47.890999 H 122.061996 -17.414000 48.773998 C 117.170998 -17.264999 47.403000 C 115.736000 -16.879000 47.361000 C 115.260002 -15.662000 46.817001 C 114.809998 -17.815001 47.887001 H 115.195999 -18.735001 48.311001 C 113.841003 -15.431000 46.750000 C 112.963997 -16.375999 47.278000 H 111.896004 -16.177000 47.228001 C 113.448997 -17.565001 47.855000 H 112.750000 -18.289000 48.264999 C 124.634003 -15.573000 43.480999 C 126.069000 -15.782000 43.826000 C 127.003998 -15.597000 42.776001 H 126.635002 -15.264000 41.812000 C 126.532997 -16.194000 45.098999 C 128.350006 -15.849000 42.966999 H 129.056000 -15.697000 42.153999 C 127.922997 -16.521999 45.265999 C 128.809998 -16.325001 44.209999 H 129.860001 -16.559000 44.363998 C 119.012001 -7.398000 47.416000 C 117.594002 -9.547000 46.265999 H 117.016998 -10.375000 45.874001 C 117.168999 -8.967000 47.439999 H 116.277000 -9.339000 47.926998 C 117.875999 -7.900000 48.027000 H 117.528000 -7.470000 48.957001 C 118.780998 -9.095000 45.625000 C 119.502998 -7.989000 46.200001 C 119.297997 -9.709000 44.424999 C 120.677002 -7.509000 45.556999 H 121.220001 -6.660000 45.958000 C 120.454002 -9.212000 43.840000 H 120.834000 -9.669000 42.938999 C 121.125999 -8.112000 44.404999 H 122.010002 -7.732000 43.905998 C 118.973999 -11.690000 42.919998 C 117.943001 -12.690000 42.533001 S52 C 116.846001 -13.038000 43.352001 C 115.905998 -14.022000 42.889999 C 116.105003 -14.633000 41.652000 H 115.384003 -15.377000 41.320999 C 117.203003 -14.283000 40.844002 H 117.334999 -14.762000 39.877998 C 118.106003 -13.327000 41.277000 H 118.959000 -13.051000 40.666000 C 119.253998 -5.300000 48.736000 C 120.264999 -4.364000 49.298000 C 119.778999 -3.274000 50.063999 H 118.709000 -3.194000 50.223000 C 120.646004 -2.335000 50.591999 H 120.261002 -1.507000 51.181999 C 122.030998 -2.438000 50.358002 H 122.719002 -1.694000 50.754002 C 122.549004 -3.491000 49.608002 C 121.657997 -4.494000 49.091000 C 125.277000 -12.733000 45.777000 H 124.962997 -13.607000 45.221001 C 124.820999 -11.464000 45.372002 H 124.162003 -11.368000 44.520000 C 126.060997 -12.887000 46.898998 H 126.322998 -13.894000 47.199001 C 125.193001 -10.337000 46.082001 C 126.481003 -11.754000 47.648998 C 126.072998 -10.446000 47.212002 C 127.320999 -11.858000 48.819000 C 126.570000 -9.295000 47.882999 H 126.291000 -8.302000 47.549999 C 127.790001 -10.706000 49.433998 H 128.438995 -10.786000 50.292999 C 127.421997 -9.434000 48.952000 H 127.823997 -8.554000 49.442001 C 128.048004 -13.527000 50.533001 C 128.255997 -14.988000 50.723000 C 128.962997 -15.389000 51.883999 H 129.276993 -14.624000 52.585999 C 129.259003 -16.723000 52.108002 H 129.802994 -17.020000 53.000999 S53 C 128.875000 -17.700001 51.169998 H 129.128006 -18.747000 51.321999 C 128.175995 -17.346001 50.016998 C 127.810997 -15.972000 49.808998 C 124.680000 -8.519000 44.476002 C 124.406998 -7.057000 44.407001 C 124.227997 -6.239000 45.548000 C 124.341003 -6.473000 43.117001 H 124.466003 -7.119000 42.254002 C 124.123001 -5.115000 42.962002 H 124.068001 -4.680000 41.967999 C 124.050003 -4.823000 45.379002 C 123.983002 -4.288000 44.094002 H 123.832001 -3.217000 43.985001 C 120.260002 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49.061565 ***************************************** 2’-w3 C 121.274002 -12.635000 50.164001 C 122.206001 -13.162000 49.071999 C 120.309998 -11.507000 49.752998 C 119.876999 -10.570000 50.867001 H 119.412003 -11.122000 51.692001 H 120.713997 -10.006000 51.289001 H 119.143997 -9.850000 50.493999 C 123.083000 -12.131000 48.389999 H 124.042999 -12.023000 48.910999 H 123.300003 -12.404000 47.355000 S67 H 122.612000 -11.146000 48.379002 C 119.751999 -11.368000 48.535000 H 119.040001 -10.547000 48.441002 C 122.272003 -14.471000 48.784000 H 121.616997 -15.163000 49.305000 C 119.917000 -12.158000 47.266998 H 120.383003 -13.131000 47.415001 H 118.934998 -12.310000 46.801998 H 120.523003 -11.598000 46.541000 C 123.158997 -15.128000 47.765999 H 122.554001 -15.589000 46.973000 H 123.872002 -14.445000 47.299000 H 123.727997 -15.942000 48.234001 O 122.244003 -12.087000 51.191002 H 121.843002 -12.000000 52.139000 C 120.487000 -13.717000 50.909000 H 119.807999 -14.217000 50.215000 H 121.160004 -14.455000 51.355000 H 119.887001 -13.273000 51.707001 H 122.697998 -11.145000 50.943001 O 123.330002 -9.884000 50.741001 H 124.139999 -10.082000 50.238998 H 122.747002 -9.392000 50.091999 O 121.375999 -11.888000 53.606998 H 120.871002 -12.707000 53.757000 H 120.695999 -11.191000 53.606998 O 121.686996 -8.638000 48.993000 H 121.167000 -9.426000 48.743999 H 121.089996 -8.159000 49.595001 ***************************************** 2-w3 O 122.210999 -12.425000 51.183998 H 121.799004 -12.191000 52.102001 H 122.865997 -11.660000 50.839001 O 123.799004 -10.704000 50.279999 H 124.286003 -11.266000 49.650002 H 123.260002 -10.102000 49.691002 O 121.272003 -11.953000 53.533001 H 121.975998 -12.298000 54.112999 S68 H 120.556999 -12.611000 53.613998 O 122.321999 -9.084000 48.654999 H 121.573997 -9.679000 48.466000 C 119.640999 -11.552000 48.584000 C 120.391998 -11.591000 49.700001 C 121.218002 -12.818000 50.115002 C 122.138000 -13.454000 49.063999 C 122.620003 -12.721000 48.048000 H 119.038002 -10.654000 48.444000 C 122.541000 -14.881000 49.341999 H 121.688004 -15.564000 49.247002 H 123.319000 -15.229000 48.660000 H 122.924004 -14.987000 50.365002 C 120.278000 -13.812000 50.806999 H 119.625999 -14.270000 50.057999 H 120.832001 -14.597000 51.327000 H 119.649002 -13.290000 51.534000 C 120.278000 -10.478000 50.721001 H 119.616997 -9.690000 50.351002 H 119.860001 -10.856000 51.661999 H 121.242996 -10.023000 50.964001 C 119.463997 -12.583000 47.506001 H 118.398003 -12.671000 47.258999 H 119.977997 -12.280000 46.583000 H 119.835999 -13.572000 47.779999 C 123.592003 -13.130000 46.981998 H 124.463997 -12.462000 46.992001 H 123.952003 -14.158000 47.077999 H 123.133003 -13.022000 45.990002 H 122.269997 -11.698000 47.948002 H 121.948997 -8.456000 49.299000 ***************************************** TS2-w3 O 122.736000 -12.486000 51.405998 H 122.342003 -12.147000 52.243999 H 123.108002 -11.695000 50.943001 O 123.900002 -10.371000 50.054001 H 124.372002 -10.879000 49.373001 H 123.210999 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47.478001 H 123.869003 -14.183000 47.056999 H 123.380997 -12.691000 46.207001 H 122.389999 -11.750000 48.282001 H 121.373001 -8.717000 49.377998 ***************************************** 4-w3 O 123.167999 -12.118000 51.410999 H 122.621002 -12.196000 52.223000 H 123.160004 -11.150000 51.227001 O 123.168999 -9.356000 50.928001 S70 H 124.133003 -9.242000 50.905998 H 122.917000 -9.401000 49.972000 O 121.591003 -12.317000 53.762001 H 122.299004 -12.362000 54.428001 H 121.313004 -13.243000 53.665001 O 122.416000 -9.564000 48.284000 H 121.450996 -9.509000 48.387001 C 119.658997 -11.551000 48.258999 C 120.167999 -11.872000 49.486000 C 120.768997 -13.157000 49.770000 C 121.677002 -13.800000 48.874001 C 122.422997 -12.992000 48.047001 H 119.184998 -10.570000 48.203999 C 121.912003 -15.288000 49.000999 H 120.969002 -15.826000 49.133999 H 122.407997 -15.688000 48.115002 H 122.545998 -15.508000 49.868999 C 120.389999 -13.863000 51.027000 H 119.707001 -14.681000 50.749001 H 121.257004 -14.329000 51.505001 H 119.872002 -13.221000 51.737999 C 119.977997 -10.903000 50.641998 H 119.883003 -9.884000 50.254002 H 119.070999 -11.129000 51.215000 H 120.827003 -10.936000 51.326000 C 119.510002 -12.351000 47.007000 H 118.462997 -12.300000 46.679001 H 120.105003 -11.895000 46.203999 H 119.806999 -13.395000 47.103001 C 123.480003 -13.402000 47.098000 H 124.426003 -12.917000 47.380001 H 123.635002 -14.479000 47.020000 H 123.227997 -12.997000 46.105999 H 122.276001 -11.918000 48.117001 H 122.651001 -8.732000 47.838001 ***************************************** TS4-w3 O 123.120003 -11.795000 51.764000 H 122.515999 -11.963000 52.519001 S71 H 123.057999 -10.821000 51.645000 O 122.925003 -9.011000 51.388000 H 123.857002 -8.792000 51.553001 H 122.891998 -9.164000 50.410999 O 121.399002 -12.230000 53.977001 H 122.081001 -12.248000 54.669998 H 121.196999 -13.170000 53.834000 O 122.787003 -9.669000 48.716999 H 121.846001 -9.502000 48.535000 C 120.091003 -11.745000 48.062000 C 120.306000 -11.996000 49.418999 C 120.886002 -13.230000 49.803001 C 121.737999 -13.799000 48.828999 C 122.258003 -12.934000 47.861000 H 119.982002 -10.693000 47.791000 C 122.055000 -15.271000 48.852001 H 121.142998 -15.871000 48.754002 H 122.754997 -15.557000 48.064999 H 122.508003 -15.529000 49.817001 C 120.620003 -13.895000 51.113998 H 120.079002 -14.833000 50.928001 H 121.552002 -14.158000 51.625000 H 120.007004 -13.275000 51.770000 C 119.992996 -10.934000 50.448002 H 119.986000 -9.943000 49.983002 H 118.997002 -11.101000 50.875999 H 120.722000 -10.943000 51.261002 C 119.549004 -12.669000 47.008999 H 118.498001 -12.386000 46.853001 H 120.053001 -12.522000 46.047001 H 119.593002 -13.723000 47.285999 C 122.814003 -13.367000 46.554001 H 123.898003 -13.532000 46.654999 H 122.361000 -14.287000 46.175999 H 122.692001 -12.566000 45.817001 H 122.454002 -11.902000 48.133999 H 123.250999 -9.022000 48.158001 ***************************************** 5-w3 S72 O 121.950614 -9.592046 50.069251 H 121.557195 -10.099768 50.815051 H 122.712884 -9.175776 50.522579 O 124.146955 -9.662977 51.933880 H 123.372480 -10.047617 52.390001 H 124.345790 -10.355366 51.266797 O 121.652497 -11.035969 52.413084 H 120.848832 -11.111009 52.954264 H 121.839966 -11.947397 52.133735 O 123.896103 -11.598517 49.878516 H 123.128639 -10.988581 49.767606 H 124.394352 -11.494324 49.050923 C 120.103019 -11.494795 48.152166 C 120.116528 -12.249722 49.442184 C 121.127612 -13.207665 49.474901 C 121.877874 -13.088422 48.298687 C 121.393638 -11.971771 47.439831 H 120.155209 -10.423461 48.381806 C 123.020603 -13.943388 47.923385 H 122.644284 -14.708935 47.225860 H 123.780817 -13.372455 47.381807 H 123.464186 -14.454232 48.779709 C 121.439029 -14.173283 50.579751 H 121.465672 -15.200479 50.200732 H 122.428389 -13.955245 51.001110 H 120.699973 -14.127530 51.382572 C 119.123084 -11.978237 50.503822 H 118.190035 -12.500717 50.241595 H 119.441878 -12.329485 51.485887 H 118.885815 -10.910406 50.544725 C 118.787501 -11.743556 47.380451 H 117.933346 -11.398193 47.970460 H 118.798678 -11.190328 46.437710 H 118.653532 -12.807618 47.163012 C 121.315345 -12.296915 45.941470 H 120.975522 -11.416055 45.389432 H 122.301242 -12.577199 45.559013 H 120.621604 -13.119532 45.745548 H 122.155370 -11.184162 47.565920 ***************************************** S73 TS4-w3’_a1 C 119.543099 -15.204535 44.728188 H 118.466891 -15.071499 44.755203 C 122.354530 -15.480623 44.587849 C 120.278988 -14.523182 43.784025 H 119.775555 -13.873296 43.078747 C 121.682696 -14.631604 43.724181 H 122.236733 -14.038490 43.011228 C 120.191844 -16.083634 45.639020 C 121.615293 -16.273697 45.535685 C 119.471203 -16.813786 46.649188 C 122.249686 -17.240020 46.362384 H 123.309817 -17.445517 46.266992 C 120.140438 -17.711324 47.465178 H 119.600467 -18.247530 48.232150 C 121.517259 -17.945064 47.289700 H 122.003971 -18.691760 47.904281 C 117.141983 -17.511984 47.165788 C 115.725065 -17.057529 47.147261 C 115.298641 -15.805723 46.645046 C 114.758398 -17.978438 47.626914 H 115.105119 -18.925085 48.026225 C 113.889966 -15.536544 46.536978 C 112.972191 -16.465708 47.021474 H 111.912314 -16.233049 46.949433 C 113.408186 -17.682631 47.579373 H 112.678505 -18.392955 47.959498 C 124.640948 -15.332573 43.590044 C 126.078250 -15.577757 43.892800 C 126.993208 -15.377335 42.827766 H 126.609120 -15.008336 41.883066 C 126.561246 -16.044110 45.139772 C 128.338714 -15.659718 42.981264 H 129.029122 -15.496318 42.157789 C 127.949652 -16.395659 45.268305 C 128.816199 -16.180963 44.198948 H 129.866077 -16.436071 44.322317 C 118.923502 -7.582710 47.425197 C 117.518015 -9.606527 46.039539 S74 H 116.929522 -10.350991 45.517486 C 116.967501 -8.988537 47.139380 H 115.972599 -9.263137 47.469155 C 117.669267 -7.994102 47.847753 H 117.214437 -7.531060 48.710771 C 118.830797 -9.263544 45.612371 C 119.555053 -8.229963 46.304093 C 119.452725 -9.909269 44.486233 C 120.851367 -7.864935 45.843034 H 121.423643 -7.085148 46.333413 C 120.710131 -9.514526 44.062183 H 121.172905 -10.006261 43.218986 C 121.396114 -8.490016 44.743027 H 122.375012 -8.192095 44.387161 C 118.835321 -11.418800 42.591387 C 117.868557 -12.493195 42.228486 C 116.916990 -13.037740 43.124554 C 115.992493 -14.032828 42.655149 C 116.088705 -14.493840 41.343266 H 115.389947 -15.257171 41.009063 C 117.062832 -13.975153 40.468924 H 117.124339 -14.348715 39.450019 C 117.931356 -12.988659 40.901431 H 118.676680 -12.572583 40.232632 C 119.060124 -5.453956 48.711124 C 120.016925 -4.432019 49.212871 C 119.461537 -3.345952 49.936683 H 118.392935 -3.345422 50.120824 C 120.257504 -2.309370 50.389137 H 119.819558 -1.487213 50.949185 C 121.637820 -2.307728 50.111601 H 122.271776 -1.487326 50.439590 C 122.219636 -3.353459 49.399139 C 121.410834 -4.461737 48.971046 C 125.263111 -12.648054 46.103591 H 124.859867 -13.509204 45.585051 C 124.949235 -11.355142 45.639209 H 124.312810 -11.230742 44.772126 C 126.038527 -12.832700 47.226067 H 126.205783 -13.846916 47.568488 S75 C 125.413631 -10.241933 46.312280 C 126.580843 -11.714989 47.920254 C 126.262198 -10.388594 47.461690 C 127.459043 -11.859374 49.054873 C 126.806875 -9.263914 48.138724 H 126.578572 -8.259316 47.799646 C 127.967852 -10.734775 49.684064 H 128.631765 -10.846499 50.528604 C 127.640948 -9.446547 49.217869 H 128.067027 -8.586470 49.720352 C 128.180618 -13.598312 50.700608 C 128.368717 -15.069302 50.827370 C 129.065981 -15.531934 51.970978 H 129.390913 -14.802984 52.705920 C 129.341673 -16.878579 52.135815 H 129.880350 -17.222533 53.015055 C 128.942396 -17.807769 51.156038 H 129.176985 -18.864380 51.262446 C 128.249221 -17.391858 50.019629 C 127.913045 -16.004297 49.868571 C 125.033794 -8.481340 44.614185 C 124.624575 -7.061881 44.421885 C 124.270365 -6.194888 45.481922 C 124.569379 -6.581123 43.089139 H 124.828050 -7.262113 42.285708 C 124.191434 -5.277648 42.818960 H 124.149246 -4.923007 41.792302 C 123.906011 -4.834147 45.195644 C 123.864194 -4.400722 43.872464 H 123.575512 -3.371958 43.670171 C 120.393837 -7.581861 51.228549 H 119.977720 -7.210549 50.302034 C 119.525308 -8.118479 52.198605 H 118.459135 -8.149219 52.016315 C 121.757760 -7.564491 51.418654 H 122.382423 -7.169532 50.628924 C 120.038538 -8.655801 53.362706 C 122.328880 -8.076913 52.615073 C 121.455635 -8.642821 53.609610 C 123.746904 -8.046978 52.875431 S76 C 122.006540 -9.158048 54.813259 H 121.363729 -9.572007 55.581573 C 124.239166 -8.573854 54.060398 H 125.299727 -8.549503 54.258344 C 123.365813 -9.115140 55.021618 H 123.780754 -9.486756 55.950348 C 125.950562 -7.520483 51.818380 C 126.589891 -6.606012 50.830580 C 125.896403 -5.961444 49.785519 C 127.984271 -6.397527 50.972483 H 128.501877 -6.906657 51.778072 C 128.670453 -5.566791 50.102817 H 129.739338 -5.411478 50.224168 C 127.984343 -4.913236 49.064012 H 128.508621 -4.251865 48.378425 C 126.610138 -5.088655 48.896244 C 117.977728 -8.839994 54.747836 C 117.385219 -9.615112 55.875175 C 116.077813 -9.264094 56.295757 H 115.575318 -8.446611 55.789749 C 118.051153 -10.680284 56.524344 C 115.452147 -9.954433 57.320066 H 114.447208 -9.678997 57.629338 C 116.110385 -11.019397 57.966726 H 115.625221 -11.566554 58.771624 C 117.398635 -11.390895 57.588154 C 121.865110 -17.355637 52.587441 H 121.332373 -18.272222 52.390474 C 121.547239 -16.597843 53.730733 H 120.769677 -16.959262 54.394416 C 122.876382 -16.948252 51.728113 C 122.216039 -15.433575 54.030224 H 121.957221 -14.900133 54.937999 C 123.543077 -15.688103 51.959512 C 123.217685 -14.942433 53.146908 C 124.470902 -15.130769 51.036921 H 124.745123 -15.645337 50.123309 C 123.898078 -13.697510 53.389549 C 125.019877 -13.887640 51.261428 H 125.656878 -13.447607 50.505876 S77 C 124.761657 -13.172787 52.446286 H 125.223670 -12.208254 52.608555 C 123.039250 -19.048257 50.383545 C 123.791832 -19.663187 49.255520 C 124.744843 -18.977548 48.465160 C 123.500981 -21.022126 48.968266 H 122.757199 -21.527035 49.574281 C 124.148642 -21.688523 47.944048 H 123.912067 -22.728205 47.732814 C 125.441123 -19.691853 47.427916 C 125.124465 -21.024709 47.176177 H 125.652749 -21.541189 46.378137 C 124.511946 -12.370082 55.403328 C 123.961466 -11.912125 56.713065 C 124.863930 -11.274718 57.599601 H 125.900747 -11.177849 57.296914 C 122.602707 -12.034816 57.086503 C 124.431797 -10.772426 58.815587 H 125.135058 -10.283592 59.484896 C 122.162214 -11.519281 58.351442 C 123.081083 -10.891609 59.192021 H 122.731534 -10.500908 60.144680 C 115.585490 -10.769996 51.731612 H 115.151738 -9.790598 51.595440 C 116.097812 -11.134093 52.992496 H 116.011931 -10.429120 53.810387 C 115.636330 -11.655995 50.667386 C 116.698345 -12.355052 53.198048 H 117.085063 -12.600626 54.181269 C 116.246613 -12.948891 50.841328 C 116.805524 -13.284177 52.127115 C 116.320279 -13.897869 49.786579 H 115.861702 -13.700780 48.824424 C 117.465085 -14.550557 52.282044 C 116.979018 -15.093090 49.970401 H 117.054206 -15.794322 49.149112 C 117.565140 -15.418596 51.208120 H 118.102381 -16.350691 51.321762 C 117.974151 -16.122122 54.119352 C 118.560627 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50.627250 H 123.995004 -17.330096 49.998629 N 119.211316 -9.256480 54.330244 H 119.578609 -10.060264 54.846037 N 124.587150 -7.413935 51.941226 H 124.160443 -6.830415 51.222188 N 125.054983 -8.938660 45.903259 H 124.783083 -8.258554 46.618160 N 118.027558 -14.880217 53.536606 H 118.432751 -14.145315 54.120991 N 127.809441 -13.161690 49.451414 H 127.563218 -13.928651 48.824112 S79 N 115.129533 -11.321862 49.395375 H 115.474616 -11.826519 48.576663 O 123.616170 -4.038451 46.237440 O 124.255354 -6.557095 46.764030 O 124.579106 -6.101288 49.568726 O 125.917803 -4.466470 47.934203 O 123.522699 -3.375368 49.080693 O 122.042977 -5.453530 48.337161 O 125.800131 -16.208719 46.225723 O 128.351716 -16.930822 46.431580 O 127.192702 -15.675748 48.790729 O 127.879456 -18.230323 49.042671 O 126.379700 -19.026938 46.740688 O 125.063734 -17.690821 48.621977 O 115.111273 -12.120804 46.814087 O 113.973927 -11.975334 44.419009 O 116.802429 -12.676451 44.406638 O 115.066799 -14.473708 43.517344 O 113.519652 -14.385897 45.958809 O 116.126854 -14.843712 46.226910 O 120.867559 -11.665577 58.670764 O 121.663470 -12.619228 56.329835 O 119.282536 -11.084683 56.214507 O 118.079472 -12.390910 58.169186 O 119.139531 -13.916263 55.805123 O 120.158487 -14.408501 58.214688 O 125.700147 -12.176305 55.082100 O 126.636161 -8.289376 52.516655 O 128.379609 -12.824361 51.655069 O 124.267787 -14.951920 42.463388 O 125.350678 -9.205537 43.648191 O 119.661103 -10.974796 41.769997 O 117.440740 -18.675792 47.495855 O 113.505709 -9.820105 50.012850 O 117.380938 -7.875573 54.227481 O 122.239062 -19.721861 51.061265 O 117.831183 -5.323279 48.870038 O 117.453867 -17.097353 53.542741 Ga 123.986568 -4.949719 47.970389 Ga 126.812818 -17.298103 47.631825 S80 Ga 115.091161 -13.413768 45.214375 Ga 119.852567 -12.687165 57.296699 O 122.228394 -11.167116 51.422039 H 121.954832 -11.433709 52.322093 H 123.175494 -10.915746 51.453760 O 124.778684 -10.327057 50.743659 H 125.020654 -11.093869 50.198278 H 124.349352 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46.278950 H 121.834643 -11.195272 45.835818 H 122.638538 -12.747825 46.152083 H 120.946058 -12.737793 45.719685 S81 H 121.274243 -11.103011 48.138896 ***************************************** TS4-w3’_a2 C 119.311534 -15.332933 45.256944 H 118.236270 -15.198850 45.299296 C 122.116225 -15.613453 45.073406 C 120.033663 -14.641676 44.309304 H 119.520428 -13.982611 43.619672 C 121.435744 -14.755416 44.226259 H 121.983101 -14.158347 43.510381 C 119.971665 -16.219511 46.152661 C 121.392635 -16.408623 46.029672 C 119.265250 -16.956826 47.167534 C 122.039783 -17.378176 46.842889 H 123.099405 -17.577781 46.732262 C 119.946088 -17.856175 47.971779 H 119.415672 -18.396565 48.742553 C 121.321597 -18.086613 47.778775 H 121.818375 -18.831372 48.388249 C 116.938551 -17.657145 47.698345 C 115.521660 -17.203432 47.663305 C 115.102009 -15.953157 47.151455 C 114.548661 -18.121963 48.134004 H 114.889597 -19.067305 48.541354 C 113.695448 -15.684025 47.022898 C 112.770905 -16.611160 47.498467 H 111.712114 -16.378946 47.410887 C 113.199235 -17.825632 48.067593 H 112.464312 -18.534404 48.440429 C 124.370261 -15.559219 44.008680 C 125.809176 -15.822147 44.288156 C 126.706248 -15.690806 43.197806 H 126.309517 -15.363499 42.242907 C 126.308737 -16.230292 45.548403 C 128.050486 -15.983984 43.343588 H 128.728467 -15.873275 42.501178 C 127.693968 -16.592058 45.674081 C 128.543766 -16.445852 44.579078 H 129.592728 -16.707164 44.697136 S82 C 118.717464 -7.622178 47.829686 C 117.341955 -9.730723 46.545208 H 116.770857 -10.517406 46.066412 C 116.799878 -9.093832 47.637904 H 115.823686 -9.388919 48.001963 C 117.487675 -8.057287 48.297125 H 117.043221 -7.585868 49.161308 C 118.627173 -9.357745 46.064948 C 119.330046 -8.272479 46.699669 C 119.242844 -10.021080 44.944493 C 120.588595 -7.863090 46.177547 H 121.128751 -7.028681 46.611613 C 120.479652 -9.602395 44.483549 H 120.944277 -10.111884 43.651797 C 121.133512 -8.514446 45.093739 H 122.083643 -8.185709 44.691421 C 118.591346 -11.510721 43.053398 C 117.646812 -12.604977 42.695396 C 116.727645 -13.184312 43.602599 C 115.812804 -14.189690 43.135231 C 115.889156 -14.626317 41.813984 H 115.198798 -15.398114 41.481760 C 116.834175 -14.074047 40.928185 H 116.881745 -14.429857 39.902207 C 117.690813 -13.076533 41.358682 H 118.411955 -12.633147 40.680965 C 118.859528 -5.500634 49.131662 C 119.822070 -4.507803 49.680549 C 119.265325 -3.408215 50.382836 H 118.189291 -3.374337 50.512967 C 120.070083 -2.400416 50.882429 H 119.630423 -1.567097 51.424429 C 121.462206 -2.441583 50.675915 H 122.103763 -1.643163 51.041270 C 122.047370 -3.501400 49.986683 C 121.225303 -4.581389 49.511752 C 125.419333 -12.672289 46.134220 H 125.203871 -13.515012 45.489406 C 124.947820 -11.395351 45.772399 H 124.365675 -11.270703 44.869569 S83 C 126.135047 -12.866739 47.293900 H 126.479692 -13.868445 47.524242 C 125.209149 -10.300630 46.577852 C 126.426541 -11.771357 48.152552 C 125.963810 -10.456573 47.791973 C 127.179277 -11.929586 49.372464 C 126.285874 -9.350080 48.627278 H 125.971554 -8.346318 48.363106 C 127.473747 -10.823058 50.151243 H 128.028090 -10.944549 51.068885 C 127.033464 -9.541231 49.766474 H 127.289143 -8.694245 50.392537 C 128.531075 -13.622986 50.624309 C 128.705274 -15.092644 50.786979 C 129.702746 -15.514773 51.702657 H 130.242132 -14.756554 52.259683 C 129.988887 -16.857135 51.875733 H 130.751652 -17.166311 52.585815 C 129.305409 -17.827930 51.119182 H 129.539248 -18.884608 51.225692 C 128.320636 -17.453721 50.206874 C 127.975703 -16.065734 50.062646 C 124.706892 -8.473182 44.979796 C 124.297232 -7.045204 44.887730 C 123.982979 -6.236966 46.005823 C 124.208307 -6.492770 43.584425 H 124.439208 -7.132184 42.739550 C 123.833953 -5.174793 43.394690 H 123.764431 -4.765178 42.390208 C 123.626253 -4.858596 45.800140 C 123.547917 -4.355004 44.503129 H 123.264600 -3.313897 44.367462 C 120.340015 -7.701973 51.534954 H 119.975764 -7.349452 50.579457 C 119.420406 -8.215334 52.470202 H 118.363465 -8.245073 52.237486 C 121.692299 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57.298062 C 124.537474 -11.363365 58.194564 H 125.596965 -11.331778 57.966561 C 122.289622 -12.082240 57.569557 C 124.039492 -10.742287 59.327029 H 124.710324 -10.215533 60.000758 C 121.785713 -11.467349 58.765201 C 122.663532 -10.796707 59.615717 H 122.261742 -10.324175 60.508783 C 115.374279 -10.827964 52.136597 H 114.960157 -9.842250 51.984714 C 115.841553 -11.197924 53.412619 H 115.743518 -10.491050 54.227558 C 115.434532 -11.721048 51.079358 C 116.409183 -12.430996 53.638604 H 116.757605 -12.681255 54.634810 C 116.022581 -13.021451 51.270155 C 116.533884 -13.363843 52.572613 C 116.120002 -13.970777 50.217323 H 115.705318 -13.765663 49.237301 C 117.167205 -14.640624 52.750064 C 116.747590 -15.178610 50.426168 H 116.839243 -15.881853 49.609081 C 117.284014 -15.515060 51.683317 H 117.798024 -16.457524 51.816293 S86 C 117.657322 -16.197258 54.612840 C 118.231048 -16.296840 55.982101 C 118.786151 -15.206128 56.692044 C 119.305727 -15.422253 58.015633 C 119.288980 -16.702097 58.563778 H 119.694570 -16.844418 59.562695 C 118.752196 -17.785440 57.841809 H 118.748454 -18.778191 58.284287 C 118.228412 -17.584396 56.577543 H 117.807578 -18.409157 56.013178 C 113.899139 -10.551297 49.512146 C 113.478937 -10.483403 48.086332 C 113.967367 -11.340171 47.070812 C 113.386151 -11.268781 45.756878 C 112.424183 -10.300355 45.478673 H 112.013691 -10.251986 44.472768 C 111.986172 -9.414192 46.481100 H 111.239571 -8.660263 46.245339 C 112.493799 -9.514346 47.763530 H 112.144126 -8.855297 48.550419 N 123.517745 -15.723496 45.069265 H 123.985318 -15.990013 45.940900 N 117.882146 -16.736567 47.311365 H 117.491636 -15.837827 47.017977 N 119.404427 -6.551087 48.432555 H 120.426123 -6.525272 48.377869 N 118.551083 -11.095078 44.359749 H 117.857016 -11.592275 44.923497 N 123.473998 -13.279713 55.217500 H 122.495738 -13.273275 55.502291 N 123.028279 -17.832373 51.077313 H 123.643965 -17.406187 50.382087 N 118.997184 -9.323972 54.598040 H 119.328742 -10.134814 55.127273 N 124.476765 -7.515887 52.461240 H 124.072810 -7.038742 51.652510 N 124.745893 -9.013328 46.239640 H 124.517324 -8.353211 46.986728 N 117.693661 -14.960835 54.020111 H 118.092667 -14.218533 54.600264 S87 N 127.567609 -13.231825 49.728708 H 127.064098 -14.018316 49.310173 N 114.948974 -11.389429 49.800008 H 115.296178 -11.906527 48.989888 O 123.380642 -4.110624 46.884604 O 124.000813 -6.668644 47.270170 O 124.469480 -6.243909 50.113765 O 125.740471 -4.625722 48.430339 O 123.363010 -3.562346 49.734487 O 121.856956 -5.593227 48.908466 O 125.565354 -16.326895 46.656516 O 128.103874 -17.069235 46.857064 O 126.979233 -15.783479 49.214762 O 127.671340 -18.336294 49.436930 O 126.103919 -19.145691 47.177368 O 124.820991 -17.810791 49.076529 O 114.928590 -12.250922 47.249606 O 113.802719 -12.159418 44.847481 O 116.634987 -12.848196 44.893004 O 114.915281 -14.663563 44.009884 O 113.334481 -14.535498 46.434386 O 115.935661 -14.991561 46.742254 O 120.471702 -11.565346 59.014334 O 121.382289 -12.679600 56.785112 O 118.982386 -11.125835 56.501569 O 117.723749 -12.337632 58.484719 O 118.852201 -13.960216 56.220386 O 119.791410 -14.359076 58.676141 O 125.552738 -12.628347 55.935451 O 126.539707 -7.956304 53.387948 O 129.242126 -12.811306 51.248007 O 123.971086 -15.243469 42.870531 O 125.003592 -9.131301 43.963374 O 119.351909 -11.000802 42.207942 O 117.237035 -18.817822 48.039648 O 113.310218 -9.891307 50.389891 O 117.249358 -7.843974 54.483776 O 122.248306 -19.891652 51.735272 O 117.630140 -5.364113 49.283219 O 117.162300 -17.190078 54.044157 S88 Ga 123.809749 -5.101512 48.558926 Ga 126.552531 -17.416314 48.066128 Ga 114.916108 -13.579571 45.689708 Ga 119.518868 -12.675770 57.672589 O 122.275813 -11.331933 52.075782 H 121.781229 -11.714734 52.835815 H 123.129639 -11.013422 52.437592 O 125.045040 -10.694436 52.190355 H 124.940317 -11.324379 51.441398 H 125.001996 -9.828574 51.751704 O 120.586925 -12.197176 54.148299 H 120.872226 -12.084108 55.080883 H 120.258614 -13.111562 54.136867 C 118.923728 -11.909036 48.836485 C 119.370751 -12.230498 50.122696 C 120.328956 -13.267488 50.261130 C 121.186276 -13.380970 49.151339 C 121.266806 -12.253540 48.314061 H 118.499016 -10.911423 48.722584 C 122.009141 -14.618489 48.919171 H 121.379421 -15.512468 48.885857 H 122.597196 -14.562964 48.002155 H 122.709816 -14.740299 49.754691 C 120.484006 -14.134409 51.465240 H 120.490502 -15.188579 51.164335 H 121.441751 -13.939132 51.957093 H 119.675616 -13.992340 52.178593 C 118.999327 -11.355813 51.290886 H 118.105785 -10.762944 51.092215 H 118.832323 -11.945192 52.194033 H 119.833404 -10.679809 51.506565 C 118.525452 -12.850531 47.735186 H 117.430946 -12.835727 47.667499 H 118.897125 -12.517472 46.762707 H 118.857227 -13.875001 47.913355 C 121.755521 -12.282501 46.916617 H 122.855646 -12.270071 46.933268 H 121.441960 -13.179520 46.377400 H 121.435288 -11.387789 46.374540 H 121.200231 -11.270980 48.767407 S89 O 123.993523 -12.271215 50.106257 H 123.939016 -11.569205 49.435964 H 123.218170 -12.107332 50.693579 ***************************************** TS4-w3’_a3 C 119.480379 -15.263738 45.180914 H 118.400951 -15.156096 45.171192 C 122.301586 -15.532932 45.111042 C 120.236484 -14.605687 44.236834 H 119.751843 -13.987134 43.491584 C 121.640472 -14.720421 44.203538 H 122.203141 -14.178920 43.458091 C 120.116591 -16.088306 46.149766 C 121.549612 -16.241199 46.117132 C 119.372933 -16.791343 47.158580 C 122.175984 -17.094008 47.065267 H 123.247958 -17.252142 47.055317 C 120.030682 -17.584743 48.082437 H 119.467344 -18.085874 48.857997 C 121.426370 -17.744188 48.018951 H 121.914734 -18.389665 48.735298 C 117.090152 -17.687991 47.457137 C 115.640589 -17.357177 47.421023 C 115.120978 -16.099403 47.034265 C 114.746018 -18.401605 47.770292 H 115.164513 -19.354612 48.074208 C 113.695272 -15.932913 46.934547 C 112.850136 -16.980246 47.292711 H 111.775778 -16.826429 47.223544 C 113.376931 -18.214023 47.720496 H 112.703260 -19.020342 47.998905 C 124.570208 -15.478609 44.059093 C 126.005869 -15.762884 44.334753 C 126.911270 -15.534141 43.266839 H 126.519526 -15.136036 42.337340 C 126.499242 -16.271604 45.560901 C 128.258169 -15.818877 43.400319 H 128.940678 -15.632881 42.575062 C 127.892729 -16.611284 45.672370 S90 C 128.748561 -16.366882 44.600999 H 129.801210 -16.616993 44.710275 C 118.619722 -7.587747 47.946088 C 117.122809 -9.490935 46.490286 H 116.515085 -10.195422 45.933524 C 116.527940 -8.716367 47.460410 H 115.467068 -8.817611 47.656993 C 117.272148 -7.778747 48.203855 H 116.783937 -7.189366 48.966821 C 118.517682 -9.372266 46.234984 C 119.289593 -8.401308 46.965917 C 119.189435 -10.205645 45.275057 C 120.681308 -8.281182 46.701897 H 121.287502 -7.543728 47.212665 C 120.548454 -10.065733 45.058918 H 121.049422 -10.713258 44.351729 C 121.283676 -9.102583 45.775799 H 122.346932 -9.019605 45.599759 C 118.592560 -11.642496 43.329929 C 117.625711 -12.688421 42.896258 C 116.606167 -13.207746 43.728383 C 115.723524 -14.221340 43.218240 C 115.906603 -14.698739 41.921337 H 115.235865 -15.471483 41.553154 C 116.933359 -14.187281 41.104335 H 117.060667 -14.572691 40.095957 C 117.774807 -13.198040 41.581823 H 118.568545 -12.795109 40.962256 C 118.907457 -5.367428 49.018119 C 119.926174 -4.433915 49.572379 C 119.444648 -3.241012 50.169711 H 118.372091 -3.091506 50.228787 C 120.319028 -2.290117 50.664726 H 119.936518 -1.386389 51.132025 C 121.710134 -2.480523 50.551787 H 122.406787 -1.727626 50.912880 C 122.221915 -3.634210 49.963378 C 121.321395 -4.656775 49.504018 C 125.116128 -12.851044 46.487012 H 124.652570 -13.713575 46.027135 S91 C 124.776016 -11.563086 46.026436 H 124.062340 -11.445797 45.220319 C 125.977234 -13.026374 47.549617 H 126.158198 -14.035749 47.899116 C 125.311332 -10.446521 46.640662 C 126.567515 -11.902139 48.192984 C 126.237555 -10.581825 47.729549 C 127.454618 -12.032220 49.317429 C 126.807128 -9.448854 48.371614 H 126.570773 -8.448406 48.025755 C 127.995693 -10.903117 49.909404 H 128.672848 -11.010055 50.745186 C 127.671177 -9.617070 49.430711 H 128.112735 -8.749917 49.910743 C 127.960569 -13.733070 51.067803 C 128.141646 -15.198815 51.252549 C 128.760593 -15.622699 52.454204 H 129.016437 -14.871877 53.194562 C 129.052437 -16.959639 52.666834 H 129.531008 -17.274822 53.590505 C 128.750792 -17.915402 51.677697 H 129.003582 -18.963325 51.821573 C 128.135541 -17.536816 50.484721 C 127.774205 -16.162135 50.284002 C 124.727661 -8.682839 44.996605 C 124.280923 -7.266711 44.897789 C 123.950585 -6.476920 46.023693 C 124.213372 -6.693305 43.604161 H 124.451623 -7.319471 42.750907 C 123.863607 -5.364624 43.436435 H 123.812237 -4.934685 42.439378 C 123.642175 -5.085313 45.846159 C 123.589154 -4.556639 44.557318 H 123.339805 -3.504983 44.436699 C 120.181479 -7.002762 52.068258 H 119.815360 -6.449946 51.214260 C 119.251077 -7.626613 52.923276 H 118.192469 -7.580261 52.704510 C 121.539575 -7.112968 52.271387 H 122.203432 -6.641204 51.555832 S92 C 119.699075 -8.341990 54.017247 C 122.043594 -7.815024 53.402229 C 121.104521 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-16.853522 54.100401 H 120.857693 -17.235799 54.834449 C 122.859857 -17.251838 52.088400 C 122.066586 -15.582104 54.236042 H 121.763333 -14.973609 55.080759 C 123.373230 -15.903905 52.160532 C 122.984268 -15.079479 53.272918 C 124.242336 -15.358033 51.173942 S93 H 124.521724 -15.923694 50.292671 C 123.551185 -13.765337 53.382354 C 124.715693 -14.070186 51.288412 H 125.337788 -13.658689 50.503590 C 124.394375 -13.275416 52.406921 H 124.806375 -12.280508 52.506949 C 123.011964 -19.363547 50.741523 C 123.783532 -19.972231 49.621276 C 124.751846 -19.277961 48.856309 C 123.508417 -21.330926 49.321188 H 122.753634 -21.844150 49.906594 C 124.190220 -21.989470 48.313710 H 123.969035 -23.030901 48.094468 C 125.480903 -19.981324 47.836103 C 125.182119 -21.316717 47.574339 H 125.737133 -21.828303 46.791409 C 124.205424 -12.539860 55.406044 C 123.714806 -12.060889 56.725468 C 124.672675 -11.483466 57.595888 H 125.704595 -11.435480 57.265532 C 122.360848 -12.124612 57.130784 C 124.298044 -10.969313 58.824985 H 125.040425 -10.520228 59.479725 C 121.980685 -11.596664 58.413159 C 122.950042 -11.022543 59.233229 H 122.644771 -10.621432 60.196925 C 115.338637 -11.008560 52.225005 H 114.862184 -10.044719 52.140758 C 115.889968 -11.409386 53.457638 H 115.796084 -10.744304 54.308422 C 115.409039 -11.839914 51.116479 C 116.541459 -12.613354 53.598058 H 116.958577 -12.883950 54.561502 C 116.046437 -13.131715 51.231281 C 116.644669 -13.498216 52.488939 C 116.098424 -14.057524 50.153578 H 115.625544 -13.848016 49.201838 C 117.323819 -14.761099 52.588104 C 116.765323 -15.254787 50.287959 H 116.815299 -15.935595 49.448009 S94 C 117.397839 -15.605231 51.494847 H 117.940496 -16.538252 51.573747 C 117.915981 -16.346964 54.396106 C 118.533348 -16.440130 55.745789 C 119.021402 -15.325166 56.467738 C 119.640052 -15.533807 57.748997 C 119.760521 -16.826465 58.254170 H 120.237944 -16.962686 59.221731 C 119.269222 -17.929987 57.530087 H 119.370069 -18.931323 57.940746 C 118.663160 -17.738659 56.301145 H 118.287493 -18.581499 55.731543 C 114.108940 -10.401840 49.525567 C 113.561437 -10.399270 48.140449 C 113.874807 -11.367931 47.158199 C 113.238240 -11.295803 45.871156 C 112.374454 -10.239717 45.587345 H 111.914243 -10.196331 44.603060 C 112.097800 -9.258611 46.557906 H 111.421281 -8.441733 46.320266 C 112.675016 -9.341222 47.812449 H 112.456292 -8.599448 48.572497 N 123.698792 -15.699049 45.099116 H 124.160993 -16.028809 45.950175 N 117.967035 -16.662969 47.194508 H 117.528881 -15.772487 46.946205 N 119.364806 -6.602122 48.621679 H 120.377433 -6.714841 48.700999 N 118.428566 -11.181992 44.607819 H 117.640328 -11.608669 45.103589 N 123.250912 -12.990143 54.529131 H 122.302663 -13.017700 54.910769 N 123.343772 -18.069942 51.056974 H 124.080540 -17.696223 50.454260 N 118.847393 -9.076291 54.856647 H 119.241691 -9.901651 55.319309 N 124.355743 -7.514221 52.693339 H 123.975378 -7.181859 51.805839 N 124.920066 -9.147713 46.268723 H 124.687928 -8.477614 47.009961 S95 N 117.924737 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O 125.418337 -12.542087 55.117135 O 126.386000 -8.026775 53.652381 O 128.034600 -12.933228 52.017663 O 124.190863 -15.083284 42.940118 O 124.946627 -9.383831 43.988777 O 119.487217 -11.218993 42.570877 O 117.481879 -18.846099 47.699858 O 113.857714 -9.473640 50.318558 O 116.915510 -7.837227 54.780390 O 122.129520 -20.006292 51.344217 S96 O 117.711411 -5.033651 48.917927 O 117.420436 -17.342870 53.832389 Ga 123.839013 -5.407025 48.598124 Ga 126.795321 -17.544075 48.041758 Ga 114.718848 -13.651932 45.753394 Ga 119.645535 -12.765331 57.457784 O 122.268580 -10.434754 51.689577 H 121.936192 -10.027099 52.505105 H 123.252019 -10.378285 51.761308 O 125.019007 -10.294598 51.294823 H 124.750827 -10.916298 50.573102 H 125.058042 -9.440066 50.833401 O 122.705495 -8.898743 49.389331 H 122.416447 -9.242510 50.266732 H 123.383853 -8.224413 49.601400 C 118.751711 -11.569433 48.889477 C 119.117903 -11.600011 50.249549 C 119.985931 -12.623234 50.679592 C 120.764168 -13.140938 49.618848 C 120.979401 -12.277820 48.529666 H 118.467143 -10.584919 48.523197 C 121.329786 -14.528930 49.589181 H 121.152496 -15.073838 50.517061 H 120.847703 -15.080963 48.774925 H 122.404757 -14.520888 49.385373 C 120.179637 -13.026289 52.110624 H 120.161180 -14.114483 52.217490 H 121.163466 -12.683810 52.450771 H 119.417818 -12.603608 52.767472 C 118.724129 -10.471205 51.164332 H 118.103709 -9.732695 50.650988 H 118.156971 -10.856892 52.017151 H 119.616838 -9.976490 51.559609 C 118.232459 -12.675984 48.016346 H 117.147700 -12.539804 47.929391 H 118.625799 -12.598359 46.999154 H 118.440377 -13.671869 48.409530 C 121.467418 -12.753732 47.208317 H 122.369002 -13.365723 47.336529 H 120.725494 -13.403476 46.729904 S97 H 121.701788 -11.924132 46.542046 H 121.050923 -11.214750 48.718754 O 123.631549 -11.561885 49.354803 H 123.959573 -11.947497 48.528159 H 123.343193 -10.647714 49.123383 ***************************************** TS4-w3’_a4 C 119.117175 -11.600271 49.360027 C 119.430884 -11.329376 50.710358 C 119.959788 -12.375952 51.487806 C 120.535764 -13.394979 50.682546 C 121.048530 -12.960530 49.452078 H 119.122388 -10.719246 48.724962 C 120.529794 -14.844013 51.085438 H 120.637745 -14.953159 52.166306 H 119.565479 -15.290549 50.807986 H 121.322035 -15.410450 50.596920 C 120.045761 -12.384818 52.980677 H 119.693861 -13.332817 53.393428 H 121.092790 -12.275041 53.276604 H 119.474061 -11.581159 53.442721 C 119.349852 -9.911755 51.219402 H 118.737457 -9.277325 50.575081 H 118.922599 -9.891874 52.224048 H 120.354640 -9.479136 51.284867 C 118.349484 -12.732529 48.732559 H 117.356645 -12.349222 48.467763 H 118.802303 -13.041868 47.783870 H 118.238326 -13.601646 49.382149 C 121.393578 -13.863243 48.326895 H 122.409802 -14.255957 48.471587 H 120.712317 -14.709813 48.256746 H 121.397705 -13.314324 47.381498 H 121.473916 -11.964850 49.404326 C 119.403051 -16.009096 45.134567 H 118.321039 -15.973799 45.181715 C 122.224633 -16.090991 44.928946 C 120.037339 -15.636975 43.973344 H 119.452478 -15.322271 43.117860 S98 C 121.440626 -15.664387 43.866578 H 121.911827 -15.355997 42.945606 C 120.161860 -16.456393 46.248899 C 121.596321 -16.528854 46.153592 C 119.524637 -16.847159 47.476929 C 122.327033 -17.030131 47.268359 H 123.410205 -17.079157 47.255865 C 120.269145 -17.355773 48.524010 H 119.777408 -17.640306 49.445993 C 121.672008 -17.449376 48.407042 H 122.246309 -17.815168 49.249718 C 117.218393 -17.598502 47.980901 C 115.800276 -17.332870 47.612212 C 115.366657 -16.165417 46.938341 C 114.851176 -18.331117 47.946552 H 115.197263 -19.213036 48.474837 C 113.989793 -16.046335 46.547572 C 113.087075 -17.048638 46.895252 H 112.045816 -16.935469 46.602864 C 113.518366 -18.189110 47.600924 H 112.800134 -18.961188 47.864450 C 124.452894 -15.422259 44.008966 C 125.914615 -15.624760 44.205515 C 126.779926 -15.072904 43.227727 H 126.340462 -14.520634 42.404125 C 126.470599 -16.331071 45.296725 C 128.150634 -15.243496 43.315040 H 128.803297 -14.817620 42.557313 C 127.891856 -16.531948 45.364271 C 128.707754 -15.978716 44.380084 H 129.782309 -16.131466 44.448119 C 118.566357 -7.053246 47.987799 C 117.342112 -9.005626 46.346431 H 116.859963 -9.725261 45.693552 C 116.621380 -7.943353 46.846255 H 115.570898 -7.842257 46.593653 C 117.225231 -6.953543 47.651923 H 116.651256 -6.100000 47.982944 C 118.713142 -9.158489 46.693562 C 119.324769 -8.210805 47.581101 S99 C 119.515414 -10.242268 46.205444 C 120.648691 -8.446417 48.042245 H 121.096648 -7.809032 48.792442 C 120.812512 -10.414524 46.645592 H 121.385238 -11.260926 46.292524 C 121.362358 -9.536564 47.598386 H 122.344095 -9.742408 48.003650 C 119.467167 -11.613190 44.145931 C 118.626632 -12.577573 43.385948 C 117.458988 -13.168496 43.921661 C 116.724780 -14.129259 43.145850 C 117.160607 -14.439221 41.857793 H 116.590599 -15.158135 41.273852 C 118.312943 -13.828527 41.321245 H 118.634420 -14.081581 40.314250 C 119.038614 -12.921717 42.075823 H 119.937718 -12.461610 41.680016 C 118.862482 -4.876595 49.212133 C 119.957601 -3.956436 49.635491 C 119.579836 -2.701885 50.176208 H 118.522610 -2.487719 50.292105 C 120.536495 -1.768845 50.537401 H 120.234537 -0.811753 50.955085 C 121.905793 -2.044928 50.351723 H 122.661340 -1.305837 50.607904 C 122.320327 -3.266566 49.823578 C 121.334912 -4.261769 49.502129 C 124.317951 -13.033140 46.346975 H 123.818354 -13.890404 45.915603 C 123.977664 -11.750256 45.877776 H 123.257885 -11.652319 45.079184 C 125.220766 -13.214501 47.369707 H 125.429167 -14.221216 47.714997 C 124.522978 -10.618977 46.468517 C 125.836706 -12.086757 47.979963 C 125.490079 -10.760903 47.529191 C 126.740892 -12.222654 49.090909 C 126.065031 -9.635042 48.183865 H 125.839791 -8.625560 47.856945 C 127.267750 -11.097809 49.701615 S100 H 127.945721 -11.210039 50.536403 C 126.926355 -9.809042 49.244140 H 127.361781 -8.943389 49.732030 C 127.268290 -13.938817 50.815028 C 127.613076 -15.377681 50.981868 C 128.080434 -15.783070 52.256318 H 128.102285 -15.048103 53.053855 C 128.515561 -17.079073 52.473918 H 128.869510 -17.378315 53.457100 C 128.520080 -18.012082 51.418202 H 128.887804 -19.023948 51.572071 C 128.067640 -17.652026 50.150219 C 127.549154 -16.328756 49.935857 C 123.410520 -8.903976 45.032377 C 122.997468 -7.474430 45.017807 C 123.193032 -6.569561 46.091653 C 122.430990 -7.003301 43.805587 H 122.266798 -7.717485 43.006347 C 122.111463 -5.668442 43.636956 H 121.672775 -5.323053 42.704369 C 122.931442 -5.171190 45.873929 C 122.376664 -4.748286 44.668345 H 122.167449 -3.688934 44.538973 C 120.188417 -6.424284 52.224909 H 119.824908 -5.821550 51.403471 C 119.259718 -7.113580 53.027289 H 118.202872 -7.062065 52.802652 C 121.545538 -6.534312 52.434655 H 122.209404 -6.025706 51.745878 C 119.705333 -7.899670 54.073576 C 122.045891 -7.307831 53.517368 C 121.107426 -7.971899 54.382063 C 123.453678 -7.488172 53.775161 C 121.582522 -8.690052 55.514743 H 120.890767 -9.181125 56.189290 C 123.870861 -8.155686 54.915200 H 124.924649 -8.256101 55.124428 C 122.931075 -8.742671 55.784660 H 123.284924 -9.259548 56.668575 C 125.632114 -7.475677 52.567515 S101 C 126.325730 -6.900434 51.389483 C 125.646903 -6.347127 50.285994 C 127.742018 -6.929815 51.398835 H 128.245794 -7.381821 52.246488 C 128.463157 -6.378361 50.352568 H 129.549562 -6.398949 50.367117 C 127.792719 -5.772232 49.273816 H 128.349297 -5.315340 48.459230 C 126.398674 -5.728879 49.233278 C 117.553672 -8.420261 55.223989 C 116.947572 -9.399110 56.169290 C 115.689341 -9.064913 56.729343 H 115.196615 -8.162007 56.384395 C 117.596663 -10.584748 56.589446 C 115.116267 -9.857654 57.708826 H 114.149836 -9.592912 58.130081 C 115.792805 -10.998744 58.183458 H 115.367322 -11.607652 58.977625 C 117.030362 -11.360653 57.655506 C 123.104840 -18.652444 53.225474 H 123.065658 -19.733450 53.242304 C 122.737946 -17.917590 54.370808 H 122.402712 -18.450660 55.253751 C 123.530274 -18.002209 52.079183 C 122.805886 -16.542144 54.385883 H 122.517176 -15.990337 55.274492 C 123.604540 -16.567875 52.046029 C 123.244979 -15.839037 53.233362 C 124.012823 -15.849043 50.886600 H 124.281535 -16.374218 49.977502 C 123.331370 -14.411795 53.207133 C 124.045675 -14.471890 50.893836 H 124.331411 -13.929862 49.999048 C 123.703450 -13.751377 52.056708 H 123.705666 -12.672445 52.046061 C 123.406591 -19.875190 50.442331 C 124.059028 -20.398650 49.211861 C 124.991153 -19.653008 48.453402 C 123.767233 -21.733084 48.835937 H 123.035840 -22.285470 49.416684 S102 C 124.421313 -22.325889 47.769110 H 124.193219 -23.351192 47.489249 C 125.716140 -20.296411 47.393998 C 125.406366 -21.613249 47.057198 H 125.951555 -22.082274 46.241351 C 123.968174 -12.895796 55.024194 C 123.530118 -12.216863 56.276110 C 124.542369 -11.644653 57.085876 H 125.568961 -11.696416 56.739345 C 122.183173 -12.148129 56.700848 C 124.231346 -11.044616 58.294412 H 125.017330 -10.615171 58.910293 C 121.866508 -11.525515 57.959261 C 122.892529 -10.986154 58.732953 H 122.639037 -10.524170 59.684379 C 115.851352 -10.702837 51.629287 H 115.648944 -9.665270 51.407145 C 116.443842 -11.061123 52.856686 H 116.659071 -10.281627 53.578291 C 115.549249 -11.681157 50.696212 C 116.789518 -12.363707 53.138729 H 117.292004 -12.570623 54.076135 C 115.812026 -13.068537 50.991782 C 116.507979 -13.400889 52.206127 C 115.408103 -14.109899 50.112446 H 114.832866 -13.898000 49.218627 C 116.885832 -14.776099 52.427940 C 115.723115 -15.417361 50.398289 H 115.381865 -16.209721 49.744172 C 116.484541 -15.755101 51.530909 H 116.742650 -16.787668 51.709952 C 118.414915 -16.196071 53.798788 C 119.055681 -16.278067 55.138493 C 119.170073 -15.181844 56.024349 C 119.832045 -15.364778 57.287682 C 120.319229 -16.624157 57.634091 H 120.803801 -16.745986 58.600029 C 120.171677 -17.716541 56.758197 H 120.548175 -18.694145 57.047647 C 119.563249 -17.542396 55.527540 S103 H 119.469875 -18.370931 54.834248 C 114.436943 -10.255756 48.950817 C 114.015313 -10.312141 47.523651 C 114.280568 -11.404983 46.661921 C 113.842036 -11.346557 45.294129 C 113.173902 -10.213540 44.833335 H 112.853431 -10.186893 43.794518 C 112.909914 -9.133236 45.697804 H 112.380701 -8.260893 45.323182 C 113.320981 -9.184521 47.018238 H 113.128095 -8.357479 47.692940 N 123.627914 -16.144858 44.840940 H 124.140488 -16.641397 45.572575 N 118.128716 -16.660503 47.569278 H 117.714441 -15.863985 47.077028 N 119.284248 -6.057132 48.660220 H 120.306469 -6.130946 48.633038 N 118.926559 -11.165480 45.317171 H 118.016200 -11.569992 45.558349 N 123.039207 -13.669188 54.383762 H 122.109929 -13.708532 54.805688 N 123.943612 -18.713991 50.938770 H 124.622157 -18.274368 50.310689 N 118.839618 -8.695620 54.843209 H 119.197192 -9.589037 55.195154 N 124.378221 -6.988305 52.834839 H 124.009922 -6.414108 52.080404 N 124.128544 -9.312498 46.128953 H 124.182377 -8.601559 46.862077 N 117.620107 -15.094536 53.583528 H 117.712452 -14.387666 54.315067 N 127.077287 -13.520680 49.519580 H 127.026663 -14.287013 48.844767 N 115.018124 -11.400844 49.428397 H 115.126844 -12.118863 48.706499 O 123.247751 -4.315081 46.856877 O 123.637577 -6.917204 47.302964 O 124.312434 -6.339935 50.166516 O 125.716930 -5.126431 48.248977 O 123.606253 -3.569546 49.591920 S104 O 121.799859 -5.434468 49.063737 O 125.744714 -16.849942 46.287411 O 128.373048 -17.258118 46.388347 O 127.048608 -16.074041 48.725525 O 128.090060 -18.489660 49.098883 O 126.676757 -19.588913 46.778206 O 125.271906 -18.368748 48.680474 O 114.916550 -12.518919 47.033620 O 114.097865 -12.406177 44.514407 O 116.971831 -12.886165 45.130878 O 115.633835 -14.674791 43.706497 O 113.634935 -14.953716 45.851137 O 116.162904 -15.143674 46.620051 O 120.577238 -11.508851 58.339243 O 121.162739 -12.650279 56.011480 O 118.745136 -11.031505 56.075294 O 117.740199 -12.409662 58.101809 O 118.696212 -13.960972 55.766554 O 119.935758 -14.298455 58.094142 O 125.140843 -12.808963 54.608475 O 126.197408 -8.323070 53.290449 O 127.206552 -13.161165 51.784788 O 124.019037 -14.653396 43.129847 O 123.173168 -9.659384 44.071530 O 120.574112 -11.218495 43.724782 O 117.561133 -18.633223 48.585317 O 114.249964 -9.243797 49.654731 O 116.950792 -7.392522 54.857382 O 122.471269 -20.477063 51.003885 O 117.659276 -4.576295 49.340704 O 118.573024 -17.095318 52.950425 Ga 123.756386 -5.259400 48.522683 Ga 126.928331 -17.801550 47.632300 Ga 115.188440 -13.789310 45.445731 Ga 119.455899 -12.625560 57.118913 O 122.635388 -10.370858 52.732543 H 122.401645 -10.226744 53.664184 H 123.614458 -10.523396 52.737302 O 125.293773 -10.827277 52.311009 H 125.008055 -10.894316 51.371328 S105 H 125.711162 -9.950641 52.418750 O 122.831009 -8.684482 50.477919 H 122.764902 -8.952019 51.419690 H 123.414699 -7.892015 50.426237 O 123.709495 -11.170410 50.063908 H 123.962301 -11.359165 49.148263 H 123.438536 -10.216267 50.065814 ***************************************** 2-w3_a1 C 119.521828 -15.201511 45.054497 H 118.455734 -15.016229 45.117134 C 122.306122 -15.591485 44.784458 C 120.265038 -14.437560 44.183208 H 119.777649 -13.678979 43.584503 C 121.654213 -14.610202 44.057049 H 122.217545 -13.958440 43.405514 C 120.146683 -16.215557 45.831089 C 121.559219 -16.450642 45.666164 C 119.410767 -17.034889 46.764828 C 122.172005 -17.526802 46.366028 H 123.224869 -17.749201 46.228291 C 120.062050 -18.049633 47.451038 H 119.516144 -18.652449 48.160069 C 121.430130 -18.304659 47.225422 H 121.903603 -19.122746 47.757679 C 117.056541 -17.648117 47.331020 C 115.649033 -17.218742 47.104259 C 115.270981 -16.016205 46.459450 C 114.640144 -18.122715 47.527073 H 114.946411 -19.030396 48.034924 C 113.883667 -15.791607 46.156448 C 112.923241 -16.700932 46.590405 H 111.877998 -16.498224 46.369453 C 113.302658 -17.864197 47.287300 H 112.541634 -18.563581 47.623444 C 124.552017 -15.361030 43.726994 C 126.005066 -15.564148 43.976341 C 126.879318 -15.271246 42.898304 H 126.448601 -14.906130 41.972675 C 126.544594 -16.025696 45.199703 C 128.245422 -15.452988 43.019028 H 128.904037 -15.219807 42.186375 C 127.960022 -16.265299 45.296181 C 128.786163 -15.957102 44.216682 S106 H 129.855103 -16.130045 44.316837 C 118.778702 -6.708681 47.482136 C 117.412720 -8.627273 45.921787 H 116.886993 -9.345945 45.302017 C 116.773979 -7.489872 46.363747 H 115.737144 -7.317318 46.096455 C 117.453957 -6.516487 47.125118 H 116.952126 -5.599949 47.402195 C 118.766953 -8.863489 46.281113 C 119.451454 -7.931251 47.129818 C 119.486794 -10.004444 45.808285 C 120.766716 -8.242969 47.576408 H 121.280602 -7.588004 48.269882 C 120.774841 -10.255278 46.227898 H 121.297142 -11.128600 45.853683 C 121.401619 -9.388775 47.149548 H 122.396080 -9.624422 47.511616 C 119.118225 -11.000358 43.590641 C 118.274490 -11.955199 42.816364 C 117.250961 -12.731339 43.407501 C 116.501778 -13.661487 42.608925 C 116.814346 -13.800225 41.258099 H 116.247482 -14.510981 40.661160 C 117.845795 -13.034835 40.676579 H 118.075867 -13.160829 39.621670 C 118.561317 -12.127264 41.440006 H 119.358727 -11.537397 41.000423 C 119.153732 -4.654732 48.868393 C 120.250595 -3.732903 49.271935 C 119.883194 -2.517543 49.900848 H 118.834229 -2.345731 50.118790 C 120.838142 -1.563527 50.208881 H 120.546021 -0.635127 50.693043 C 122.189865 -1.778018 49.873699 H 122.940628 -1.018444 50.079021 C 122.590538 -2.961547 49.255142 C 121.617058 -3.985152 49.000381 C 126.074997 -12.195411 45.134556 H 126.284096 -12.905826 44.341633 C 125.265961 -11.076792 44.851124 H 124.873627 -10.934302 43.853901 C 126.616455 -12.390736 46.386795 H 127.250877 -13.255088 46.551739 C 124.990875 -10.144511 45.838936 C 126.337822 -11.475428 47.439957 C 125.496536 -10.337995 47.173824 S107 C 126.830902 -11.670132 48.779430 C 125.158836 -9.458840 48.239471 H 124.500282 -8.612295 48.083748 C 126.493591 -10.777518 49.781834 H 126.837914 -10.940438 50.792473 C 125.646889 -9.688321 49.505371 H 125.347458 -9.041289 50.317429 C 128.379135 -13.095382 50.122971 C 128.832336 -14.507040 50.264439 C 129.872253 -14.755492 51.193356 H 130.297104 -13.913195 51.728333 C 130.334900 -16.042351 51.411434 H 131.136780 -16.220997 52.123028 C 129.775635 -17.123764 50.707394 H 130.137009 -18.137228 50.863735 C 128.744614 -16.919636 49.789608 C 128.246490 -15.592195 49.577011 C 123.294640 -8.739477 44.650463 C 122.753403 -7.351784 44.618744 C 123.120483 -6.343172 45.542900 C 121.874458 -7.023831 43.556610 H 121.562080 -7.814603 42.883129 C 121.428795 -5.724302 43.382687 H 120.748047 -5.485583 42.569588 C 122.728844 -4.982482 45.303856 C 121.869820 -4.699101 44.243389 H 121.555153 -3.669759 44.087822 C 120.642265 -7.017644 51.165825 H 120.220306 -6.477135 50.329910 C 119.778351 -7.626773 52.093494 H 118.706207 -7.540428 51.972546 C 122.010162 -7.108245 51.295605 H 122.619736 -6.605213 50.554642 C 120.294937 -8.346033 53.155174 C 122.587914 -7.844621 52.365639 C 121.715881 -8.502797 53.305313 C 124.017303 -7.945049 52.554920 C 122.277618 -9.273257 54.360744 H 121.638702 -9.763430 55.087349 C 124.517418 -8.727902 53.584576 H 125.584106 -8.819610 53.717236 C 123.644363 -9.384759 54.474358 H 124.072464 -9.966106 55.282001 C 126.208855 -7.082764 51.672718 C 126.783035 -6.332871 50.520054 C 126.019661 -5.832403 49.437981 S108 C 128.184814 -6.119460 50.530518 H 128.759735 -6.519164 51.358665 C 128.805634 -5.416003 49.513676 H 129.881287 -5.261360 49.534515 C 128.047058 -4.888361 48.450325 H 128.523956 -4.321867 47.653996 C 126.668335 -5.077402 48.400383 C 118.282990 -8.419431 54.601307 C 117.531372 -9.267370 55.567669 C 116.308098 -8.753720 56.067364 H 115.969749 -7.787612 55.709175 C 117.977379 -10.533052 56.011909 C 115.563431 -9.465766 56.991451 H 114.623886 -9.063121 57.361103 C 116.022713 -10.710006 57.467171 H 115.453514 -11.266947 58.207771 C 117.221092 -11.247393 57.003300 C 121.831787 -17.264549 52.394596 H 121.165810 -17.996302 51.959969 C 121.386459 -16.448380 53.453094 H 120.387032 -16.598263 53.844402 C 123.116478 -17.122402 51.898937 C 122.186722 -15.462532 53.984623 H 121.793488 -14.861823 54.796101 C 124.002052 -16.133101 52.457420 C 123.501060 -15.253308 53.480701 C 125.350197 -16.001526 52.024044 H 125.769836 -16.687071 51.295864 C 124.358162 -14.198255 53.960384 C 126.138771 -14.984802 52.513741 H 127.159706 -14.877485 52.164646 C 125.642303 -14.063182 53.453362 H 126.270309 -13.253832 53.792240 C 123.216125 -19.135855 50.426651 C 123.956047 -19.702091 49.265800 C 124.947258 -19.001129 48.536900 C 123.637337 -21.034618 48.900654 H 122.864563 -21.549067 49.460964 C 124.298759 -21.666792 47.862785 H 124.041756 -22.687258 47.590916 C 125.664940 -19.685881 47.496204 C 125.319092 -20.994560 47.164764 H 125.863686 -21.486078 46.362064 C 124.539101 -12.569843 55.845280 C 123.725136 -11.887710 56.891018 C 124.447617 -11.146836 57.860645 S109 H 125.527153 -11.102603 57.771664 C 122.314316 -11.943976 56.973274 C 123.795685 -10.502043 58.896545 H 124.362305 -9.934282 59.629955 C 121.651123 -11.312662 58.080791 C 122.397270 -10.590675 59.011318 H 121.872101 -10.107969 59.831959 C 116.637016 -10.665741 51.124950 H 116.621506 -9.622798 50.842239 C 117.182632 -11.050605 52.362366 H 117.578354 -10.289058 53.019588 C 116.134911 -11.623564 50.260860 C 117.246140 -12.372240 52.742867 H 117.678772 -12.599972 53.709270 C 116.187729 -13.019733 50.614155 C 116.762177 -13.393291 51.879887 C 115.701172 -14.034615 49.743141 H 115.239670 -13.784331 48.794937 C 116.866791 -14.796000 52.206841 C 115.803688 -15.359369 50.099339 H 115.430710 -16.127594 49.430283 C 116.392433 -15.748802 51.318020 H 116.483757 -16.796280 51.558170 C 117.631981 -16.365519 54.005421 C 118.334190 -16.390345 55.321415 C 118.938362 -15.266839 55.932858 C 119.470779 -15.394407 57.259995 C 119.477119 -16.639347 57.886555 H 119.902512 -16.715399 58.884277 C 118.933723 -17.765842 57.244316 H 118.949944 -18.731262 57.743195 C 118.362717 -17.639935 55.990330 H 117.915543 -18.495876 55.497890 C 114.938492 -10.136768 48.651855 C 114.375084 -10.127047 47.274319 C 114.463699 -11.219886 46.378738 C 113.938751 -11.084907 45.046837 C 113.328499 -9.890360 44.667103 H 112.935371 -9.807684 43.656498 C 113.214088 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48.298592 H 122.326721 -15.660294 49.990147 C 119.788818 -14.453601 50.633568 H 119.028343 -14.694160 49.890816 H 120.301399 -15.371056 50.927784 H 119.287109 -14.047232 51.511063 C 120.434845 -10.865651 50.630924 H 119.889252 -9.985373 50.281200 H 120.214539 -11.003535 51.693573 H 121.508514 -10.644928 50.554901 C 118.745438 -13.002223 47.795876 S112 H 117.653793 -13.072700 47.724865 H 119.099495 -12.700375 46.802998 H 119.140373 -14.002170 47.977333 C 123.151711 -13.212389 46.993725 H 123.960022 -12.482513 47.066395 H 123.596695 -14.207623 46.990200 H 122.667236 -13.051153 46.023514 H 121.855202 -11.954895 48.209122 ***************************************** 2-w3_a2 C 119.704570 -14.871745 45.163668 H 118.629337 -14.733307 45.188453 C 122.510886 -15.180329 44.988783 C 120.450169 -14.127733 44.277023 H 119.957148 -13.430517 43.613973 C 121.849768 -14.257690 44.196103 H 122.409037 -13.638161 43.510208 C 120.343149 -15.809365 46.021197 C 121.768861 -15.993989 45.917595 C 119.611879 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45.646931 C 116.716475 -8.457401 47.119298 H 115.642799 -8.514399 47.253098 C 117.443307 -7.510089 47.868825 H 116.928633 -6.865072 48.566087 C 118.749120 -9.219721 46.039127 C 119.508537 -8.263876 46.796588 C 119.445670 -10.064354 45.108441 C 120.918125 -8.213570 46.627733 H 121.520976 -7.490923 47.159578 C 120.822464 -10.007005 44.998184 H 121.338332 -10.669117 44.314379 C 121.551660 -9.085077 45.772366 H 122.630204 -9.066585 45.705177 C 118.890186 -11.300697 43.031234 C 117.960148 -12.324623 42.478849 C 116.953087 -12.953870 43.246621 C 116.108711 -13.944183 42.638586 C 116.312598 -14.287519 41.303265 H 115.670144 -15.042523 40.856135 C 117.328545 -13.668097 40.548404 H 117.473811 -13.952274 39.509295 C 118.136553 -12.703402 41.124925 H 118.922541 -12.220733 40.553932 C 119.141738 -5.130617 48.702420 C 120.209965 -4.194113 49.148122 C 119.790510 -2.970959 49.730638 H 118.726976 -2.797628 49.854931 C 120.713668 -2.021242 50.130881 H 120.379808 -1.093132 50.587709 C 122.090526 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49.458387 C 124.457847 -8.535345 44.151802 C 123.973979 -7.127697 44.162358 C 123.852255 -6.343355 45.333530 C 123.649789 -6.559696 42.905453 H 123.732222 -7.184654 42.022650 C 123.259994 -5.235354 42.804425 H 123.019474 -4.808060 41.834392 C 123.497040 -4.957770 45.212002 C 123.193323 -4.430970 43.957415 H 122.913540 -3.382250 43.890416 C 120.499249 -6.666103 51.687437 H 120.127939 -5.964567 50.953562 C 119.580105 -7.309520 52.537581 S115 H 118.520134 -7.126031 52.426536 C 121.850793 -6.917091 51.764570 H 122.507521 -6.404998 51.071435 C 120.030871 -8.185547 53.507646 C 122.360628 -7.813551 52.743268 C 121.439384 -8.437955 53.657274 C 123.769243 -8.099233 52.876312 C 121.943029 -9.252753 54.706972 H 121.272800 -9.693530 55.436098 C 124.211740 -8.914448 53.905431 H 125.264254 -9.127288 54.008758 C 123.297723 -9.458000 54.826025 H 123.680074 -10.046293 55.649232 C 126.015087 -7.435305 51.985195 C 126.660777 -6.744718 50.832169 C 125.971472 -6.282984 49.686966 C 128.056659 -6.522974 50.936972 H 128.571567 -6.900922 51.812991 C 128.743166 -5.827997 49.956969 H 129.814135 -5.667192 50.049329 C 128.052665 -5.307830 48.848235 H 128.572580 -4.731900 48.086478 C 126.679335 -5.505425 48.708669 C 117.971900 -8.395233 54.893934 C 117.287080 -9.301313 55.859162 C 116.048780 -8.865207 56.394059 H 115.640955 -7.921645 56.047923 C 117.822290 -10.537807 56.289775 C 115.378560 -9.620460 57.340859 H 114.426645 -9.278079 57.738475 C 115.930674 -10.830540 57.806120 H 115.421739 -11.418705 58.566091 C 117.146849 -11.291817 57.307694 C 121.712741 -17.318900 52.299289 H 121.132605 -18.182487 52.009095 C 121.276739 -16.512933 53.368560 H 120.372119 -16.790353 53.896542 C 122.892062 -17.027932 51.632743 C 121.988079 -15.402950 53.762513 H 121.637426 -14.826408 54.610717 S116 C 123.640401 -15.847468 51.978313 C 123.169429 -15.029697 53.064164 C 124.811074 -15.451768 51.272442 H 125.200054 -16.048668 50.455124 C 123.921855 -13.857249 53.415702 C 125.453311 -14.276687 51.591867 H 126.313371 -13.963623 51.016100 C 125.014955 -13.472185 52.662405 H 125.539717 -12.557283 52.907032 C 123.233222 -19.225281 50.526768 C 123.959006 -19.903522 49.418751 C 124.921266 -19.271203 48.595888 C 123.663289 -21.275864 49.211443 H 122.916505 -21.742524 49.844279 C 124.309102 -22.002951 48.228022 H 124.065820 -23.051100 48.074117 C 125.614810 -20.046871 47.603281 C 125.291559 -21.389839 47.426679 H 125.818404 -21.954698 46.661179 C 124.371176 -12.685887 55.542703 C 123.716356 -12.161108 56.774485 C 124.572745 -11.654924 57.784277 H 125.643911 -11.703196 57.622377 C 122.315770 -12.093295 56.959399 C 124.056584 -11.103433 58.944068 H 124.724681 -10.715385 59.708585 C 121.788459 -11.533254 58.172537 C 122.664650 -11.043023 59.139869 H 122.247372 -10.615133 60.048261 C 116.199504 -10.700685 51.415077 H 116.018025 -9.658140 51.195839 C 116.748647 -11.073946 52.656605 H 116.967898 -10.305192 53.387108 C 115.898331 -11.665869 50.469752 C 117.012141 -12.390922 52.958315 H 117.428678 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48.026108 N 123.905313 -15.359679 44.924478 H 124.376564 -15.794680 45.720517 N 118.207110 -16.477423 47.039192 H 117.771567 -15.606557 46.732024 N 119.559615 -6.392555 48.357450 H 120.572930 -6.507455 48.405446 N 118.686377 -10.967365 44.341076 H 117.902460 -11.456404 44.785075 N 123.528574 -13.125602 54.554001 H 122.542205 -13.104618 54.810936 N 123.385632 -17.862379 50.612496 H 124.029010 -17.473178 49.921281 N 119.147132 -8.864727 54.367432 H 119.409736 -9.797336 54.698139 N 124.646093 -7.524398 51.941047 S118 H 124.247044 -7.140184 51.084779 N 125.132575 -8.932575 45.282394 H 125.064568 -8.250648 46.037999 N 117.627204 -15.127886 53.495790 H 118.047458 -14.377431 54.045026 N 127.533077 -13.260052 48.959736 H 127.174930 -14.109933 48.512416 N 115.328906 -11.340334 49.226274 H 115.478316 -11.977855 48.441315 O 123.479237 -4.220405 46.331147 O 124.062132 -6.807482 46.570343 O 124.664803 -6.490138 49.455230 O 125.978628 -4.985679 47.691551 O 123.837069 -3.680792 49.118776 O 122.099413 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120.610451 -14.759238 50.844896 H 119.288268 -13.696238 51.350606 C 119.794977 -10.367537 50.674042 H 119.042007 -9.626650 50.389405 H 119.633007 -10.631297 51.723539 H 120.776346 -9.882169 50.610479 C 118.634425 -12.605039 47.660054 S120 H 117.572369 -12.722755 47.419269 H 119.126664 -12.258775 46.742558 H 119.048427 -13.589818 47.881751 C 122.964743 -12.092183 46.884723 H 123.517647 -11.149567 46.857444 H 123.687245 -12.907842 46.966281 H 122.460075 -12.185932 45.915034 H 121.391035 -11.125297 48.046799 ***************************************** 2-w3_a3 C 119.465172 -15.171820 44.774513 H 118.387512 -15.051926 44.781242 C 122.282181 -15.458079 44.655323 C 120.198341 -14.597783 43.761623 H 119.692642 -14.047001 42.978760 C 121.600266 -14.710786 43.707336 H 122.146065 -14.223559 42.914265 C 120.122330 -15.922285 45.787724 C 121.549637 -16.103342 45.718655 C 119.401054 -16.531118 46.873573 C 122.184509 -16.928631 46.686405 H 123.243675 -17.147945 46.629059 C 120.076233 -17.251995 47.842117 H 119.532188 -17.671749 48.677219 C 121.461815 -17.470478 47.724533 H 121.961761 -18.083368 48.462261 C 117.103561 -17.370670 47.259613 C 115.664818 -17.052307 47.049324 C 115.200340 -15.870507 46.426468 C 114.724472 -18.006130 47.516518 H 115.098724 -18.901335 48.000641 C 113.787025 -15.679689 46.244389 C 112.895287 -16.636736 46.722786 H 111.829758 -16.467394 46.586140 C 113.365150 -17.799522 47.363529 H 112.654961 -18.534723 47.733097 C 124.549179 -15.390902 43.593891 C 125.971977 -15.755832 43.842339 C 126.880585 -15.528301 42.776585 S121 H 126.501015 -15.082584 41.863884 C 126.451111 -16.317648 45.049149 C 128.215500 -15.871641 42.893269 H 128.901108 -15.686722 42.070320 C 127.828812 -16.718962 45.141766 C 128.689346 -16.476366 44.073292 H 129.731400 -16.772404 44.168320 C 118.826920 -7.584722 47.645298 C 117.438278 -9.551197 46.167027 H 116.870789 -10.276926 45.595650 C 116.780205 -8.748569 47.070732 H 115.709068 -8.846714 47.198662 C 117.467636 -7.779113 47.826687 H 116.925720 -7.165560 48.531185 C 118.844170 -9.423533 45.992462 C 119.561813 -8.427908 46.740192 C 119.576698 -10.247002 45.070400 C 120.963615 -8.294117 46.549568 H 121.519531 -7.521985 47.067333 C 120.947411 -10.116370 44.947327 H 121.489182 -10.769551 44.275028 C 121.633949 -9.135007 45.689754 H 122.706024 -9.045494 45.578629 C 119.019623 -11.457262 42.976463 C 118.002228 -12.368457 42.381565 C 116.916496 -12.908024 43.110493 C 116.010201 -13.818690 42.467522 C 116.217522 -14.160782 41.132584 H 115.526291 -14.854524 40.659805 C 117.299744 -13.618534 40.411728 H 117.445045 -13.897266 39.371185 C 118.175003 -12.738186 41.024155 H 119.016327 -12.322091 40.480400 C 119.026566 -5.327142 48.656918 C 120.017441 -4.335719 49.155140 C 119.493034 -3.138422 49.705482 H 118.415619 -3.029036 49.763416 C 120.331573 -2.134995 50.155685 H 119.917236 -1.226889 50.585850 C 121.727020 -2.280661 50.044285 S122 H 122.398262 -1.489657 50.370308 C 122.280006 -3.438418 49.501705 C 121.419708 -4.512007 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124.247589 -6.285865 43.104252 H 124.503296 -6.864533 42.223621 C 123.794731 -4.984521 42.985970 H 123.677612 -4.532965 42.004204 C 123.637444 -4.796049 45.406345 C 123.501442 -4.233201 44.139610 H 123.171417 -3.199754 44.064423 C 120.541183 -6.821712 51.639015 S123 H 120.160614 -6.200999 50.841305 C 119.627663 -7.453082 52.502766 H 118.563210 -7.340472 52.345264 C 121.901123 -6.979058 51.788551 H 122.552032 -6.459508 51.096199 C 120.091202 -8.221018 53.554169 C 122.423019 -7.773594 52.845688 C 121.504082 -8.386292 53.768204 C 123.840309 -7.965229 53.046982 C 122.011192 -9.101056 54.887199 H 121.337250 -9.539401 55.614128 C 124.288223 -8.671106 54.152550 H 125.346909 -8.804574 54.311089 C 123.369873 -9.208525 55.074070 H 123.753036 -9.720127 55.947296 C 126.075516 -7.280885 52.135311 C 126.689659 -6.525194 51.003445 C 125.974380 -6.049043 49.882553 C 128.077682 -6.256598 51.097401 H 128.620956 -6.643992 51.952106 C 128.722488 -5.505214 50.129456 H 129.787964 -5.307586 50.213535 C 128.000824 -4.977334 49.043903 H 128.492233 -4.362790 48.293583 C 126.633293 -5.221404 48.914616 C 117.996758 -8.432785 54.884186 C 117.306778 -9.325895 55.856998 C 116.058975 -8.896882 56.374321 H 115.640717 -7.964772 56.009605 C 117.853447 -10.546396 56.314877 C 115.393181 -9.645459 57.330189 H 114.434448 -9.308752 57.716183 C 115.957146 -10.840571 57.820614 H 115.449547 -11.421103 58.587353 C 117.182861 -11.295215 57.338718 C 121.671860 -17.179621 52.410145 H 121.078781 -18.043167 52.147778 C 121.264214 -16.352184 53.473000 H 120.367935 -16.610851 54.023632 C 122.839622 -16.909006 51.714161 S124 C 121.991829 -15.241697 53.833809 H 121.657089 -14.648489 54.676476 C 123.605087 -15.729019 52.025314 C 123.164459 -14.891837 53.109245 C 124.772499 -15.361229 51.300915 H 125.147438 -15.977026 50.491688 C 123.938850 -13.725229 53.433994 C 125.441742 -14.195532 51.600918 H 126.302727 -13.906755 51.014305 C 125.030373 -13.369111 52.664856 H 125.574791 -12.461217 52.890869 C 123.089043 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49.781071 H 115.493828 -13.917741 48.840637 C 117.205750 -14.803610 52.245232 C 116.265755 -15.446756 50.103867 H 115.992882 -16.240965 49.419670 C 116.888817 -15.785548 51.320240 H 117.108994 -16.820089 51.537464 C 117.685211 -16.283785 54.188972 C 118.357605 -16.315027 55.516464 C 118.967957 -15.193874 56.128071 C 119.528481 -15.337638 57.443504 C 119.524414 -16.582752 58.067989 H 119.967552 -16.667904 59.057358 C 118.952530 -17.700802 57.433502 H 118.962845 -18.667173 57.930790 C 118.371536 -17.565485 56.185734 H 117.914375 -18.416241 55.693085 C 114.449875 -10.473261 49.004688 C 113.819771 -10.400380 47.658916 C 114.121475 -11.285971 46.597450 C 113.454872 -11.120530 45.333904 C 112.549927 -10.075132 45.163269 H 112.065033 -9.960935 44.196564 C 112.268265 -9.188708 46.220726 H 111.561974 -8.376505 46.069057 C 112.887444 -9.352807 47.446892 H 112.678429 -8.677390 48.269150 N 123.678177 -15.622236 44.628803 H 124.137886 -15.993130 45.462952 N 117.999382 -16.389143 46.915504 H 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48.582802 O 127.892258 -18.425049 48.906979 O 126.203484 -19.358833 46.770508 O 125.017853 -17.898489 48.640190 O 114.993034 -12.293127 46.685528 O 113.742996 -11.996160 44.360432 O 116.664024 -12.626641 44.390873 O 114.995041 -14.302487 43.198841 O 113.387306 -14.567920 45.610031 O 115.996712 -14.900983 45.972012 O 120.504135 -11.472468 58.370941 O 121.464424 -12.453718 56.103626 O 118.999405 -11.059724 55.865395 O 117.790497 -12.406285 57.785370 O 119.043526 -13.977151 55.576210 O 120.035675 -14.241348 58.024593 O 125.651199 -12.514069 55.397060 O 126.776077 -7.739577 53.057400 O 129.267105 -12.781897 50.522003 O 124.187744 -14.923083 42.496304 O 125.334511 -8.828021 43.338234 S127 O 119.954582 -10.980954 42.302731 O 117.462357 -18.473442 47.717194 O 114.080124 -9.733540 49.938023 O 117.507561 -7.341936 54.530083 O 122.401657 -19.751047 51.416115 O 117.818573 -5.040045 48.559788 O 117.058434 -17.270872 53.758652 Ga 123.957970 -5.142365 48.134121 Ga 126.705536 -17.591412 47.534615 Ga 114.923233 -13.461194 45.007874 Ga 119.617188 -12.605281 56.992348 C 121.017326 -12.677048 50.057434 C 122.084732 -12.945197 48.995033 C 120.007683 -11.593194 49.642471 C 120.013580 -10.287976 50.404850 H 119.830215 -10.431757 51.474678 H 120.978554 -9.773459 50.314003 H 119.242439 -9.615821 50.017281 C 122.451340 -11.798412 48.078094 H 123.487320 -11.870242 47.732868 H 121.808189 -11.788016 47.188385 H 122.333031 -10.827574 48.561359 C 119.146355 -11.776789 48.627567 H 118.454536 -10.960667 48.425968 C 122.710022 -14.131193 48.936852 H 122.395569 -14.931303 49.598454 C 118.993790 -12.949096 47.698830 H 119.808052 -13.674211 47.768715 H 118.048027 -13.476728 47.885525 H 118.947334 -12.601327 46.660648 C 123.887306 -14.435344 48.050152 H 123.690994 -14.195829 47.000774 H 124.755402 -13.840652 48.354202 H 124.170952 -15.485505 48.113911 O 121.831131 -12.203977 51.247711 H 121.308289 -12.082663 52.124268 C 120.298950 -13.909334 50.615360 H 119.757614 -14.431723 49.824921 H 121.001930 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117.191788 -17.483858 47.113369 C 115.737518 -17.175800 47.035641 C 115.214951 -15.945855 46.570690 C 114.842606 -18.190470 47.459229 H 115.258614 -19.125397 47.818722 C 113.791145 -15.761483 46.500916 C 112.945953 -16.781698 46.930779 H 111.871201 -16.623741 46.879017 C 113.473473 -17.995827 47.413166 H 112.798485 -18.780874 47.744225 C 124.596176 -15.398682 43.567223 S129 C 126.015129 -15.793038 43.788288 C 126.881142 -15.687437 42.668877 H 126.474953 -15.302980 41.740070 C 126.529182 -16.273394 45.016197 C 128.208084 -16.067036 42.754654 H 128.860703 -15.972660 41.890587 C 127.897621 -16.711773 45.079861 C 128.716034 -16.588085 43.959930 H 129.751938 -16.910023 44.035938 C 118.871994 -7.099182 47.273392 C 117.371803 -9.002978 45.809910 H 116.775795 -9.718462 45.255291 C 116.748085 -7.991831 46.502758 H 115.666168 -7.914466 46.487968 C 117.486031 -7.042140 47.235844 H 116.970085 -6.261143 47.771828 C 118.789551 -9.099955 45.817734 C 119.566795 -8.139829 46.552383 C 119.471527 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125.167091 -11.273781 43.983383 C 126.649506 -12.828525 46.615528 H 127.021088 -13.811356 46.882511 C 125.668854 -10.295179 45.818993 C 126.717354 -11.746605 47.535202 C 126.271149 -10.442122 47.121483 C 127.226402 -11.910265 48.871464 C 126.444664 -9.342845 48.006340 H 126.180801 -8.336593 47.702564 C 127.319359 -10.821429 49.720440 H 127.677811 -10.956256 50.730942 C 126.958870 -9.538022 49.267925 H 127.086693 -8.692710 49.932632 C 128.565414 -13.558179 50.179539 C 128.832443 -15.014738 50.319084 C 129.772903 -15.397788 51.310001 H 130.229034 -14.620732 51.913605 C 130.097778 -16.728262 51.504520 H 130.813034 -17.009548 52.273129 C 129.509552 -17.724268 50.701363 H 129.768005 -18.772139 50.834610 C 128.589005 -17.388350 49.710453 C 128.215210 -16.011478 49.526737 C 124.781433 -8.554109 44.253387 C 124.218506 -7.176189 44.224487 C 124.017471 -6.375003 45.373753 C 123.933434 -6.633140 42.945641 H 124.072678 -7.265163 42.075577 C 123.502502 -5.325881 42.806538 H 123.282059 -4.924821 41.820621 C 123.641487 -4.997248 45.213493 C 123.369743 -4.501651 43.940346 S131 H 123.065559 -3.462289 43.841721 C 120.677490 -7.389730 51.260418 H 120.282097 -6.888456 50.387836 C 119.788162 -8.049597 52.131214 H 118.727959 -8.045232 51.922966 C 122.035202 -7.400391 51.482178 H 122.668571 -6.865365 50.785145 C 120.267624 -8.711853 53.248833 C 122.575768 -8.078921 52.609051 C 121.679031 -8.732587 53.527020 C 123.992981 -8.126585 52.872387 C 122.200935 -9.343339 54.699017 H 121.539574 -9.800962 55.426952 C 124.458427 -8.753524 54.017635 H 125.518028 -8.793042 54.216244 C 123.556671 -9.327717 54.932819 H 123.951096 -9.758892 55.843460 C 126.168602 -7.174273 52.084671 C 126.786270 -6.453936 50.934204 C 126.105118 -6.106635 49.744183 C 128.151245 -6.099689 51.078556 H 128.664795 -6.394406 51.986671 C 128.811798 -5.390032 50.091297 H 129.860352 -5.131415 50.213623 C 128.123581 -4.985032 48.934628 H 128.621231 -4.402327 48.163307 C 126.780121 -5.313714 48.755379 C 118.159195 -8.943749 54.528069 C 117.459183 -9.775478 55.542225 C 116.167419 -9.342996 55.937645 H 115.769600 -8.437676 55.492947 C 117.993614 -10.960326 56.102215 C 115.424316 -10.064915 56.854229 H 114.431877 -9.726796 57.140846 C 115.952805 -11.239545 57.424797 H 115.382271 -11.809798 58.154083 C 117.225044 -11.688363 57.077282 C 121.671204 -16.440899 51.915199 H 120.983627 -17.113613 51.417816 C 121.183273 -15.474311 52.812366 S132 H 120.118866 -15.388258 52.970535 C 123.023277 -16.502787 51.633003 C 122.032425 -14.608344 53.463375 H 121.596405 -13.875510 54.132389 C 123.942528 -15.591335 52.256897 C 123.433533 -14.658746 53.227028 C 125.333405 -15.595336 51.953388 H 125.737747 -16.290781 51.226116 C 124.367836 -13.824349 53.943874 C 126.175613 -14.708930 52.587559 H 127.234253 -14.710511 52.352844 C 125.707375 -13.826761 53.583195 H 126.400795 -13.179646 54.098110 C 123.130676 -18.738623 50.573071 C 123.772758 -19.501450 49.468109 C 124.741776 -18.949642 48.598236 C 123.366081 -20.846987 49.286816 H 122.610283 -21.250837 49.951736 C 123.916885 -21.625643 48.284069 H 123.593224 -22.654806 48.151257 C 125.332863 -19.773584 47.580364 C 124.904938 -21.091736 47.433678 H 125.354691 -21.700047 46.652382 C 124.529327 -12.337724 55.954536 C 123.726608 -11.894771 57.128502 C 124.410172 -11.143126 58.118488 H 125.471352 -10.965003 57.984264 C 122.338722 -12.131068 57.275776 C 123.740433 -10.639859 59.219269 H 124.277069 -10.065564 59.970055 C 121.650124 -11.600424 58.421520 C 122.358551 -10.864765 59.369473 H 121.820290 -10.471213 60.228497 C 115.448410 -11.264069 52.017277 H 114.959930 -10.303018 51.963161 C 115.836060 -11.778620 53.269047 H 115.621498 -11.201811 54.161594 C 115.668480 -11.990830 50.855110 C 116.464462 -12.997828 53.376858 H 116.742393 -13.360909 54.359821 S133 C 116.316216 -13.276899 50.925938 C 116.729225 -13.768832 52.212879 C 116.588280 -14.061804 49.772102 H 116.307327 -13.726468 48.781124 C 117.430626 -15.022461 52.284550 C 117.259956 -15.259033 49.884720 H 117.494659 -15.821753 48.991177 C 117.688881 -15.747790 51.134411 H 118.239784 -16.676956 51.191853 C 118.202065 -16.681301 53.989105 C 118.812119 -16.748253 55.344669 C 119.229881 -15.609025 56.074707 C 119.700943 -15.768998 57.421688 C 119.812439 -17.048664 57.962585 H 120.183197 -17.151932 58.979725 C 119.441689 -18.181150 57.211842 H 119.537575 -19.171337 57.649883 C 118.942940 -18.032486 55.929379 H 118.630455 -18.894909 55.350220 C 114.864647 -10.271185 49.227921 C 114.259819 -10.144647 47.874847 C 114.313805 -11.154252 46.886223 C 113.621750 -10.955936 45.641697 C 112.953773 -9.755295 45.408062 H 112.442894 -9.621985 44.457378 C 112.923500 -8.746870 46.390724 H 112.389938 -7.820240 46.195763 C 113.562248 -8.941024 47.602955 H 113.539215 -8.175442 48.370739 N 123.778610 -15.396167 44.672573 H 124.251221 -15.689830 45.528511 N 118.042564 -16.497629 46.682068 H 117.572212 -15.654684 46.342598 N 119.650734 -6.158918 47.966068 H 120.666313 -6.207181 47.862534 N 118.686676 -11.090823 44.416668 H 117.842461 -11.451724 44.870319 N 123.857697 -13.090199 55.024563 H 122.883018 -13.254046 55.287643 N 123.532539 -17.435974 50.709450 S134 H 124.257629 -17.141388 50.047832 N 119.398071 -9.383135 54.130600 H 119.724823 -10.225380 54.611019 N 124.849998 -7.521543 51.938545 H 124.460793 -7.246334 51.037384 N 125.135788 -9.035679 45.490116 H 124.888611 -8.405310 46.257549 N 117.893166 -15.419661 53.552589 H 118.212891 -14.679036 54.185238 N 127.581985 -13.209088 49.286022 H 127.158401 -14.007378 48.806061 N 115.233757 -11.540526 49.598206 H 115.202385 -12.208028 48.825993 O 123.577377 -4.237072 46.317665 O 124.185410 -6.808932 46.625881 O 124.831047 -6.439044 49.474468 O 126.079102 -4.913471 47.686527 O 123.944336 -3.690297 49.158730 O 122.205719 -5.581882 48.477772 O 125.818512 -16.369795 46.142147 O 128.328766 -17.230659 46.238445 O 127.299721 -15.760345 48.587688 O 128.027374 -18.297956 48.904430 O 126.286362 -19.223633 46.813850 O 125.171974 -17.685934 48.663517 O 114.960983 -12.312115 47.035679 O 113.647507 -11.957072 44.751205 O 116.518135 -12.579286 44.634472 O 114.796211 -14.277354 43.526318 O 113.338715 -14.594999 46.012417 O 115.965904 -14.921241 46.164810 O 120.336349 -11.841126 58.524021 O 121.603951 -12.833433 56.409924 O 119.192299 -11.460409 55.796646 O 117.780258 -12.783308 57.617317 O 119.201988 -14.360141 55.598965 O 120.010307 -14.657843 58.105801 O 125.731728 -12.030060 55.836460 O 126.821625 -7.415743 53.117279 O 129.207932 -12.713259 50.831951 S135 O 124.185547 -15.103078 42.428425 O 124.960609 -9.202306 43.204098 O 119.847977 -11.152281 42.444592 O 117.605736 -18.580183 47.538883 O 114.976051 -9.286664 49.984112 O 117.653046 -7.896838 54.078823 O 122.284035 -19.257837 51.327576 O 118.063545 -5.000729 49.168983 O 117.953171 -17.703749 53.321404 Ga 124.138062 -5.250200 47.931835 Ga 126.845505 -17.448366 47.538155 Ga 114.819855 -13.449810 45.344009 Ga 119.673904 -13.003458 57.046860 C 120.217247 -11.708094 49.879860 C 121.240952 -12.547348 49.093266 C 119.042816 -11.169080 49.037788 C 118.448990 -9.862494 49.517971 H 118.119423 -9.925739 50.563255 H 119.175606 -9.045740 49.460735 H 117.581902 -9.580082 48.917480 C 121.533363 -13.943663 49.575684 H 122.273415 -14.447958 48.952564 H 121.907219 -13.935599 50.605125 H 120.634438 -14.571903 49.587093 C 118.479324 -11.791279 47.988846 H 117.624504 -11.285851 47.540428 C 121.866035 -11.960053 48.062805 H 121.571930 -10.940876 47.820560 C 118.831017 -13.087484 47.313984 H 119.212563 -13.848988 47.996223 H 117.940552 -13.484396 46.821301 H 119.587685 -12.938671 46.534267 C 122.944550 -12.511892 47.179180 H 123.232132 -13.538548 47.417576 H 122.629532 -12.484244 46.127342 H 123.841469 -11.885304 47.251606 O 121.002419 -10.552080 50.357349 H 120.523994 -10.106309 51.081123 C 119.668983 -12.422499 51.120636 H 119.162926 -13.346943 50.842316 S136 H 120.476784 -12.660142 51.819809 H 118.946350 -11.784037 51.637478 H 122.541290 -10.751595 50.661118 O 123.561584 -10.650672 50.675266 H 123.977577 -11.548285 50.393681 H 123.712616 -9.947116 49.932495 O 124.592735 -12.950502 50.040527 H 125.472878 -13.023417 50.451317 H 124.063690 -13.626843 50.498772 O 123.546417 -8.853952 48.838631 H 122.624847 -8.564951 48.966614 H 124.088905 -8.050992 49.030334 ***************************************** S137 11. 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