Assembly of BF4−, PF6−, ClO4− and F− with trinuclear copper(i) acetylide complexes bearing amide groups: structural diversity, photophysics and anion binding properties
Shi, Hua-Yun; Huang, Yong-Liang; Sun, Jia-Kai; Jiang, Ji-Jun; Luo, Zhi-Xing; Ling, Hui-Tao; Lam, Chi-Keung; Chao, Hsiu-Yi; RSC Advances 5 (2015) 89669–; doi:10.1039/C5RA18534C

data_7236002
_publ_section_title
;
 Assembly of BF4&#x2212;, PF6&#x2212;, ClO4&#x2212; and F&#x2212; with
 trinuclear copper(i) acetylide complexes bearing amide groups: structural
 diversity, photophysics and anion binding properties
;
_journal_issue                   109
_journal_name_full               'RSC Advances'
_journal_page_first              89669
_journal_paper_doi               10.1039/C5RA18534C
_journal_volume                  5
_journal_year                    2015
_chemical_formula_moiety         'B F4, C107 H90 Cu3 N2 O4 P6'
_chemical_formula_sum            'C107 H90 B Cu3 F4 N2 O4 P6'
_chemical_formula_weight         1931.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-08-05
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4813)
;
_audit_update_record
;
2015-09-01 deposited with the CCDC.
2015-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.3117(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.36838(19)
_cell_length_b                   34.9812(3)
_cell_length_c                   25.4082(2)
_cell_measurement_temperature    150(2)
_cell_volume                     19880.9(3)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL-1997 (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            130764
_diffrn_reflns_theta_full        67.06
_diffrn_reflns_theta_max         67.06
_diffrn_reflns_theta_min         2.91
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.131
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7968
_platon_squeeze_details
;
;
_refine_diff_density_max         1.098
_refine_diff_density_min         -0.956
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2314
_refine_ls_number_reflns         34881
_refine_ls_number_restraints     3968
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1258
_refine_ls_R_factor_gt           0.1195
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1048P)^2^+260.4319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3058
_refine_ls_wR_factor_ref         0.3089
_reflns_number_gt                30886
_reflns_number_total             34881
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra18534c2.cif
_cod_data_source_block           1
_cod_original_cell_volume        19881.0(3)
_cod_database_code               7236002
_olex2_refinement_description
;
1. Shared sites
{C171, C17A}
2. Others
 Fixed Sof: C171(0.79) C172(0.79) H172(0.79) C173(0.79) H173(0.79) C174(0.79)
 H174(0.79) C175(0.79) H175(0.79) C176(0.79) H176(0.79) C17A(0.21) C17B(0.21)
 H17Q(0.21) C17C(0.21) H17C(0.21) C17D(0.21) H17D(0.21) C17E(0.21) H17E(0.21)
 C17F(0.21) H17F(0.21)
 Fixed U11: B1(0.107996) C1(0.036002) C2(0.046959) C3(0.046003) C4(0.05896)
 C5(0.063928) C6(0.052971) C7(0.064015) C8(0.06496) C9(0.06807) C10(0.075081)
 C11(0.084984) C12(0.10493) C13(0.10605) C14(0.094137) C15(0.091126)
 C16(0.138932) C17(0.032046) C18(0.035046) C19(0.036002) C20(0.041035)
 C21(0.040981) C22(0.036002) C23(0.042992) C24(0.044938) C25(0.044003)
 C26(0.038035) C27(0.047047) C28(0.052014) C29(0.048959) C30(0.04497)
 C31(0.047025) C32(0.084951) C33(0.06396) C34(0.079026) C35(0.097962)
 C36(0.092875) C37(0.088929) C38(0.074917) C39(0.053025) C40(0.093158)
 C41(0.108159) C42(0.101039) C43(0.092114) C44(0.082125) C45(0.043991)
 C46(0.039024) C47(0.050982) C48(0.052949) C49(0.050025) C50(0.057993)
 C51(0.050993) C52(0.036078) C53(0.057068) C54(0.06108) C55(0.057101)
 C56(0.061928) C57(0.051906) C58(0.045035) C59(0.069918) C60(0.085984)
 C61(0.079983) C62(0.076016) C63(0.063004) C64(0.037035) C65(0.040981)
 C66(0.05396) C67(0.050058) C68(0.055134) C69(0.04509) C70(0.031013)
 C71(0.031024) C72(0.031013) C73(0.038992) C74(0.036079) C75(0.040079)
 C76(0.032002) C77(0.028991) C78(0.031969) C79(0.03797) C80(0.041872)
 C81(0.048894) C82(0.03398) C83(0.036013) C84(0.039024) C85(0.040035)
 C86(0.048144) C87(0.049101) C88(0.038057) C89(0.034035) C90(0.0431)
 C91(0.053003) C92(0.055025) C93(0.04497) C94(0.041959) C95(0.03897)
 C96(0.051112) C97(0.065102) C98(0.079049) C99(0.080027) C100(0.066004)
 C101(0.061091) C102(0.06996) C103(0.086885) C104(0.097832) C105(0.109995)
 C106(0.107125) C107(0.095157) C108(0.041046) C109(0.037013) C110(0.040057)
 C111(0.044003) C112(0.044057) C113(0.042035) C114(0.047068) C115(0.049047)
 C116(0.047003) C117(0.041981) C118(0.046981) C119(0.057069) C120(0.051036)
 C121(0.04896) C122(0.04897) C123(0.082114) C124(0.042057) C125(0.04109)
 C126(0.038024) C127(0.047014) C128(0.042024) C129(0.039068) C130(0.042035)
 C131(0.037035) C132(0.045057) C133(0.041035) C134(0.050014) C135(0.040003)
 C136(0.056036) C137(0.06108) C138(0.054047) C139(0.071081) C140(0.045046)
 C141(0.056025) C142(0.067048) C143(0.060036) C144(0.05608) C145(0.052025)
 C146(0.038991) C147(0.046959) C148(0.057927) C149(0.050938) C150(0.04297)
 C151(0.042992) C152(0.046068) C153(0.063047) C154(0.075146) C155(0.089114)
 C156(0.10506) C157(0.102973) C158(0.090984) C159(0.048992) C160(0.060949)
 C161(0.068928) C162(0.06695) C163(0.066004) C164(0.054014) C165(0.057058)
 C166(0.051014) C167(0.065091) C168(0.081103) C169(0.093147) C170(0.086146)
 C171(0.055003) C172(0.078961) C173(0.09493) C174(0.081918) C175(0.073983)
 C176(0.060026) O1(0.088147) C17A(0.055003) C17B(0.07195) C17C(0.075939)
 C17D(0.075972) C17E(0.066993) C17F(0.060025) C177(0.045046) C178(0.037937)
 C179(0.041003) C180(0.04696) C181(0.050927) C182(0.049949) C183(0.04497)
 C184(0.041014) C185(0.049971) C186(0.063993) C187(0.063026) C188(0.054036)
 C189(0.052069) C190(0.036035) C191(0.040057) C192(0.044068) C193(0.04397)
 C194(0.048981) C195(0.042024) C196(0.034067) C197(0.037024) C198(0.048057)
 C199(0.04209) C200(0.035035) C201(0.037024) C202(0.036002) C203(0.048101)
 C204(0.055047) C205(0.065036) C206(0.082091) C207(0.069102) C208(0.059102)
 C209(0.036057) C210(0.046003) C211(0.047927) C212(0.052971) C213(0.04609)
 C214(0.044057) Cu1(0.044046) Cu2(0.032002) Cu3(0.036045) Cu4(0.036067)
 Cu5(0.036067) Cu6(0.037046) F1(0.126954) F2(0.116899) F3(0.150183)
 F4(0.141009) N1(0.05796) N2(0.040959) N3(0.042025) N4(0.042057) O2(0.126008)
 O3(0.048982) O4(0.062917) O5(0.058025) O6(0.060156) O7(0.048036) O8(0.060102)
 P1(0.046046) P2(0.037013) P3(0.030024) P4(0.027002) P5(0.031002) P6(0.056046)
 P7(0.037068) P8(0.044046) P9(0.041035) P10(0.033046) P11(0.033078)
 P12(0.035078) B2(0.394002) F8(0.390001) F7(0.39898) F5(0.394002) F6(0.395023)
 Fixed U12: B1(0.001005) C1(-0.001005) C2(-0.000022) C3(-0.005016) C4(-
 0.003935) C5(-0.00494) C6(-0.001016) C7(-0.011957) C8(-0.013962) C9(-0.002011)
 C10(-0.003989) C11(-0.001995) C12(-0.001984) C13(0.001038) C14(0.001027)
 C15(0.000989) C16(0.004027) C17(0.001005) C18(0.003011) C19(-0.003935)
 C20(0.000984) C21(0.002005) C22(0.000038) C23(0.005973) C24(0.002978) C25(-
 0.00094) C26(-0.00194) C27(-0.003946) C28(-0.009962) C29(-0.003918)
 C30(0.001082) C31(0.001049) C32(-0.005022) C33(0.005989) C34(-0.001022) C35(-
 0.004016) C36(-0.001033) C37(-0.012022) C38(-0.007989) C39(0.001054)
 C40(0.013038) C41(0.011022) C42(-0.003978) C43(-0.018) C44(-0.014006)
 C45(0.000011) C46(0.005038) C47(0.001962) C48(0.000962) C49(0.005038)
 C50(0.007995) C51(0.003978) C52(-0.001978) C53(-0.003951) C54(-0.007962) C55(-
 0.005006) C56(-0.006967) C57(-0.006957) C58(0.001011) C59(0.008011)
 C60(0.007011) C61(-0.001005) C62(-0.008984) C63(-0.007978) C64(0.005016)
 C65(0.003011) C66(-0.000978) C67(0.00206) C68(0.003038) C69(0.010006) C70(-
 0.002995) C71(0.003022) C72(-0.000995) C73(-0.004016) C74(0.000033)
 C75(0.006027) C76(0.002016) C77(0.003978) C78(0.001011) C79(0.000989)
 C80(0.002016) C81(0.001022) C82(-0.000984) C83(0.000027) C84(-0.000995) C85(-
 0.004011) C86(-0.008011) C87(0.003011) C88(0.001) C89(0.003984) C90(0.008022)
 C91(0.011044) C92(0.016006) C93(-0.001033) C94(0.000973) C95(-0.000011)
 C96(0.005989) C97(-0.003044) C98(-0.004038) C99(0.004973) C100(0.013962)
 C101(0.012989) C102(0.007995) C103(-0.002044) C104(-0.005065) C105(0.001967)
 C106(0.006957) C107(0.003957) C108(-0.005995) C109(-0.006011) C110(-0.006995)
 C111(-0.003022) C112(-0.001033) C113(-0.004005) C114(-0.008044) C115(-
 0.005044) C116(-0.002027) C117(-0.003016) C118(-0.001011) C119(-0.004016)
 C120(0.000951) C121(0.001995) C122(-0.000011) C123(-0.002989) C124(-0.006038)
 C125(-0.003033) C126(-0.008049) C127(-0.003016) C128(0.001) C129(0.000978)
 C130(-0.002011) C131(-0.001033) C132(0.00094) C133(-0.004065) C134(-0.000054)
 C135(-0.002082) C136(-0.009049) C137(-0.005038) C138(-0.002038) C139(-
 0.003962) C140(-0.002065) C141(0.003995) C142(0.010022) C143(0.004957) C144(-
 0.001065) C145(-0.005054) C146(-0.000995) C147(-0.002038) C148(-0.007033)
 C149(-0.005989) C150(-0.003989) C151(-0.001005) C152(-0.004022) C153(-
 0.006006) C154(-0.008011) C155(-0.007978) C156(-0.000978) C157(0.004087)
 C158(0.004109) C159(-0.011006) C160(-0.010022) C161(-0.018027) C162(-0.014011)
 C163(-0.007027) C164(-0.004022) C165(-0.001984) C166(0.000011) C167(-0.000989)
 C168(-0.008978) C169(-0.008935) C170(-0.00094) C171(-0.000022) C172(0.001044)
 C173(0.006054) C174(0.001027) C175(0.000962) C176(0.001973) O1(-0.005027)
 C17A(-0.000022) C17B(-0.000011) C17C(-0.000011) C17D(0.001005) C17E(0.003016)
 C17F(0.004016) C177(0.000005) C178(0.000973) C179(-0.004038) C180(-0.008027)
 C181(-0.005049) C182(-0.002044) C183(-0.002022) C184(-0.00006) C185(0.005984)
 C186(0.013984) C187(0.007957) C188(-0.003044) C189(-0.004049) C190(0.000973)
 C191(-0.000027) C192(-0.002011) C193(-0.001038) C194(0.003962) C195(0.001984)
 C196(0.002) C197(-0.001022) C198(0.005973) C199(0.008006) C200(0.003011) C201(-
 0.002027) C202(-0.002005) C203(-0.007033) C204(-0.009016) C205(-0.019044)
 C206(-0.006016) C207(0.005038) C208(0.003005) C209(-0.001016) C210(0.001005)
 C211(0.000978) C212(-0.000022) C213(-0.000989) C214(0.001005) Cu1(0.001005)
 Cu2(0.000016) Cu3(-0.002005) Cu4(-0.009033) Cu5(-0.009022) Cu6(-0.008027) F1(-
 0.010989) F2(0.002995) F3(0.001995) F4(-0.000913) N1(-0.003978) N2(-0.000978)
 N3(-0.003011) N4(-0.001989) O2(0.004016) O3(0.003978) O4(-0.014929)
 O5(0.000973) O6(0.001957) O7(0.002) O8(-0.005022) P1(0.002022) P2(0.001027)
 P3(0.003011) P4(-0.000995) P5(-0.001005) P6(0.005989) P7(-0.006049) P8(-
 0.011022) P9(-0.003005) P10(-0.007049) P11(-0.005027) P12(-0.004027) B2(0)
 F8(0) F7(-0.001995) F5(0.000011) F6(-0.000995)
 Fixed U13: B1(0.000396) C1(-0.000212) C2(0.003772) C3(-0.000272) C4(0.003641)
 C5(0.006603) C6(0.002668) C7(-0.001354) C8(0.003663) C9(-0.006463) C10(-
 0.007495) C11(0.001461) C12(0.006385) C13(-0.004669) C14(-0.012642) C15(-
 0.011582) C16(0.00619) C17(-0.004196) C18(-0.004234) C19(-0.000223) C20(-
 0.003218) C21(0.001739) C22(-0.000207) C23(0.000684) C24(0.00569) C25(-
 0.000267) C26(-0.003239) C27(-0.004299) C28(-0.001288) C29(0.003723)
 C30(0.002717) C31(-0.002256) C32(0.004532) C33(0.003755) C34(-0.002321)
 C35(0.003587) C36(0.01157) C37(0.006527) C38(0.007625) C39(-0.002277) C40(-
 0.014626) C41(-0.014707) C42(-0.003647) C43(-0.010517) C44(-0.011457)
 C45(0.00082) C46(-0.002201) C47(0.001657) C48(0.00463) C49(-0.002321)
 C50(0.000581) C51(0.000636) C52(-0.007201) C53(-0.006267) C54(-0.007305) C55(-
 0.009343) C56(0.006581) C57(0.008647) C58(-0.003169) C59(0.007527)
 C60(0.001461) C61(0.001608) C62(-0.001446) C63(-0.000441) C64(-0.003218)
 C65(0.001728) C66(0.003625) C67(-0.005359) C68(-0.012332) C69(-0.008245) C70(-
 0.001158) C71(-0.002185) C72(-0.001207) C73(0.000723) C74(-0.007288) C75(-
 0.007223) C76(-0.000174) C77(0.000842) C78(0.002782) C79(0.002728)
 C80(0.011739) C81(0.009766) C82(0.001804) C83(-0.001212) C84(-0.002223) C85(-
 0.003305) C86(-0.013299) C87(-0.009245) C88(-0.005223) C89(-0.00319) C90(-
 0.009234) C91(-0.000256) C92(-0.002288) C93(0.002723) C94(0.003766)
 C95(0.002799) C96(-0.010256) C97(-0.009424) C98(-0.004539) C99(-0.002495)
 C100(-0.000386) C101(-0.008305) C102(0.00375) C103(0.010592) C104(0.015505)
 C105(0.000483) C106(-0.011463) C107(-0.014419) C108(-0.004245) C109(-0.001218)
 C110(-0.00525) C111(-0.000272) C112(-0.005278) C113(-0.003256) C114(-0.006299)
 C115(-0.004288) C116(-0.000261) C117(0.001733) C118(0.001701) C119(-0.006316)
 C120(-0.003332) C121(0.003657) C122(0.002723) C123(-0.010473) C124(-0.005218)
 C125(-0.008229) C126(-0.002218) C127(-0.001245) C128(-0.002256) C129(-
 0.006223) C130(-0.00325) C131(-0.003223) C132(-0.005261) C133(-0.003239) C134(-
 0.001239) C135(-0.00025) C136(-0.003299) C137(-0.00737) C138(-0.004348) C139(-
 0.00749) C140(-0.004229) C141(-0.002316) C142(-0.004386) C143(-0.00337) C144(-
 0.007359) C145(-0.002348) C146(0.000799) C147(0.00375) C148(0.006685)
 C149(0.005685) C150(0.002685) C151(0.00075) C152(-0.006218) C153(-0.004288)
 C154(-0.013348) C155(-0.010392) C156(-0.005501) C157(0.002456) C158(0.001521)
 C159(0.000755) C160(0.004695) C161(0.006657) C162(0.004597) C163(-0.000381)
 C164(-0.001299) C165(-0.005288) C166(-0.001299) C167(-0.008365) C168(-
 0.009441) C169(-0.01349) C170(-0.013446) C171(-0.000343) C172(0.003559)
 C173(0.006445) C174(0.007489) C175(0.001516) C176(-0.002397) O1(-0.013484)
 C17A(-0.000343) C17B(0.004619) C17C(0.005587) C17D(0.002581) C17E(0.000608)
 C17F(-0.002337) C177(-0.004267) C178(0.005717) C179(-0.000316) C180(0.003641)
 C181(0.006646) C182(0.004701) C183(0.002717) C184(-0.001283) C185(0.00269)
 C186(0.000614) C187(-0.002386) C188(-0.003386) C189(-0.00637) C190(-0.003223)
 C191(-0.005245) C192(-0.00631) C193(0.002679) C194(0.00175) C195(-0.002239)
 C196(-0.00619) C197(-0.002223) C198(-0.00525) C199(-0.008261) C200(-0.003267)
 C201(-0.002218) C202(-0.00019) C203(-0.009234) C204(-0.004278) C205(-0.003343)
 C206(-0.00837) C207(-0.009419) C208(-0.009337) C209(-0.005201) C210(-0.000245)
 C211(0.006712) C212(0.002646) C213(-0.008321) C214(-0.005267) Cu1(-0.004163)
 Cu2(-0.000141) Cu3(-0.004147) Cu4(-0.006185) Cu5(-0.006201) Cu6(-0.004201)
 F1(0.0042) F2(0.009293) F3(-0.016822) F4(-0.000821) N1(0.003603) N2(0.003728)
 N3(-0.002277) N4(-0.005267) O2(-0.000832) O3(0.001646) O4(0.007576) O5(-
 0.002283) O6(-0.014435) O7(-0.003267) O8(-0.00943) P1(-0.004158) P2(-0.001163)
 P3(-0.002163) P4(-0.000136) P5(-0.000163) P6(-0.004152) P7(-0.006207) P8(-
 0.00419) P9(-0.003256) P10(-0.004256) P11(-0.007196) P12(-0.00718) B2(-
 0.000143) F8(-0.000111) F7(0.001829) F5(-0.000138) F6(-0.002149)
 Fixed U22: B1(0.11) C1(0.029) C2(0.039) C3(0.046) C4(0.081) C5(0.083)
 C6(0.056) C7(0.081) C8(0.081) C9(0.066) C10(0.071) C11(0.084) C12(0.106)
 C13(0.108) C14(0.103) C15(0.095) C16(0.143) C17(0.029) C18(0.038) C19(0.038)
 C20(0.045) C21(0.047) C22(0.045) C23(0.058) C24(0.056) C25(0.055) C26(0.055)
 C27(0.058) C28(0.056) C29(0.061) C30(0.063) C31(0.056) C32(0.092) C33(0.048)
 C34(0.08) C35(0.1) C36(0.086) C37(0.087) C38(0.07) C39(0.058) C40(0.097)
 C41(0.119) C42(0.117) C43(0.096) C44(0.076) C45(0.043) C46(0.039) C47(0.056)
 C48(0.066) C49(0.055) C50(0.057) C51(0.048) C52(0.037) C53(0.047) C54(0.051)
 C55(0.058) C56(0.068) C57(0.058) C58(0.038) C59(0.06) C60(0.07) C61(0.063)
 C62(0.062) C63(0.057) C64(0.037) C65(0.052) C66(0.068) C67(0.062) C68(0.063)
 C69(0.051) C70(0.028) C71(0.027) C72(0.034) C73(0.041) C74(0.04) C75(0.045)
 C76(0.033) C77(0.025) C78(0.035) C79(0.045) C80(0.047) C81(0.043) C82(0.036)
 C83(0.031) C84(0.038) C85(0.046) C86(0.047) C87(0.048) C88(0.034) C89(0.037)
 C90(0.043) C91(0.054) C92(0.068) C93(0.065) C94(0.052) C95(0.03) C96(0.047)
 C97(0.07) C98(0.087) C99(0.09) C100(0.073) C101(0.058) C102(0.053) C103(0.084)
 C104(0.092) C105(0.103) C106(0.102) C107(0.087) C108(0.042) C109(0.04)
 C110(0.041) C111(0.052) C112(0.052) C113(0.044) C114(0.059) C115(0.062)
 C116(0.046) C117(0.039) C118(0.048) C119(0.056) C120(0.055) C121(0.054)
 C122(0.048) C123(0.093) C124(0.034) C125(0.039) C126(0.041) C127(0.048)
 C128(0.051) C129(0.049) C130(0.044) C131(0.039) C132(0.053) C133(0.06)
 C134(0.058) C135(0.063) C136(0.063) C137(0.061) C138(0.064) C139(0.092)
 C140(0.046) C141(0.063) C142(0.072) C143(0.079) C144(0.071) C145(0.063)
 C146(0.035) C147(0.038) C148(0.047) C149(0.049) C150(0.051) C151(0.043)
 C152(0.047) C153(0.053) C154(0.068) C155(0.082) C156(0.102) C157(0.105)
 C158(0.097) C159(0.05) C160(0.053) C161(0.065) C162(0.082) C163(0.082)
 C164(0.06) C165(0.05) C166(0.057) C167(0.075) C168(0.083) C169(0.083)
 C170(0.066) C171(0.051) C172(0.076) C173(0.102) C174(0.09) C175(0.081)
 C176(0.065) O1(0.093) C17A(0.051) C17B(0.071) C17C(0.076) C17D(0.079)
 C17E(0.069) C17F(0.061) C177(0.039) C178(0.036) C179(0.045) C180(0.054)
 C181(0.055) C182(0.052) C183(0.043) C184(0.045) C185(0.053) C186(0.067)
 C187(0.081) C188(0.076) C189(0.062) C190(0.034) C191(0.039) C192(0.046)
 C193(0.049) C194(0.048) C195(0.043) C196(0.04) C197(0.038) C198(0.041)
 C199(0.043) C200(0.044) C201(0.04) C202(0.042) C203(0.042) C204(0.052)
 C205(0.061) C206(0.059) C207(0.064) C208(0.054) C209(0.037) C210(0.047)
 C211(0.056) C212(0.063) C213(0.061) C214(0.049) Cu1(0.03) Cu2(0.028)
 Cu3(0.025) Cu4(0.034) Cu5(0.032) Cu6(0.034) F1(0.136) F2(0.119) F3(0.172)
 F4(0.134) N1(0.063) N2(0.052) N3(0.053) N4(0.055) O2(0.138) O3(0.072)
 O4(0.082) O5(0.072) O6(0.083) O7(0.068) O8(0.079) P1(0.035) P2(0.028)
 P3(0.027) P4(0.025) P5(0.026) P6(0.034) P7(0.037) P8(0.04) P9(0.035)
 P10(0.034) P11(0.038) P12(0.037) B2(0.394) F8(0.389) F7(0.4) F5(0.393)
 F6(0.396)
 Fixed U23: B1(-0.001) C1(0.001) C2(0.004) C3(0.003) C4(-0.012) C5(-0.011)
 C6(0.003) C7(-0.008) C8(-0.007) C9(0.002) C10(-0.002) C11(-0.001) C12(-0.003)
 C13(-0.007) C14(-0.005) C15(0.002) C16(-0.005) C17(-0.001) C18(-0.002) C19(-
 0.012) C20(0.003) C21(-0.001) C22(-0.007) C23(0.005) C24(0.004) C25(-0.011)
 C26(-0.011) C27(-0.01) C28(-0.007) C29(-0.015) C30(-0.015) C31(-0.009)
 C32(0.004) C33(0.002) C34(0.004) C35(0.003) C36(0.006) C37(0.004) C38(-0.002)
 C39(-0.01) C40(-0.007) C41(-0.004) C42(-0.004) C43(0) C44(0.001) C45(-0.002)
 C46(-0.007) C47(0.007) C48(0.007) C49(-0.007) C50(0.001) C51(0.004) C52(-
 0.004) C53(-0.009) C54(-0.007) C55(0.001) C56(-0.006) C57(-0.008) C58(-0.002)
 C59(-0.002) C60(-0.002) C61(0.001) C62(-0.003) C63(-0.004) C64(-0.003) C65(-
 0.002) C66(-0.004) C67(-0.011) C68(-0.007) C69(-0.001) C70(-0.001) C71(-0.004)
 C72(-0.001) C73(0.003) C74(-0.006) C75(-0.005) C76(-0.003) C77(0.004) C78(-
 0.002) C79(0.002) C80(-0.003) C81(-0.004) C82(-0.003) C83(-0.005) C84(-0.001)
 C85(0.002) C86(0.002) C87(-0.002) C88(0) C89(0.003) C90(-0.004) C91(-0.008)
 C92(-0.001) C93(0.006) C94(0.005) C95(0.002) C96(0.002) C97(0.008) C98(0.007)
 C99(0.005) C100(0.007) C101(0.002) C102(0.001) C103(0.008) C104(0.012)
 C105(0.006) C106(0.008) C107(0.008) C108(-0.001) C109(0.002) C110(-0.001)
 C111(0.004) C112(0.006) C113(0.001) C114(0.008) C115(0.008) C116(0.005)
 C117(0.003) C118(0.002) C119(0.003) C120(0.009) C121(0.001) C122(0.002) C123(-
 0.002) C124(0.007) C125(0.006) C126(0.009) C127(0.003) C128(0) C129(0.004)
 C130(0.002) C131(0.006) C132(0.011) C133(0.012) C134(0.01) C135(0.015)
 C136(0.009) C137(0.007) C138(0.007) C139(-0.007) C140(0.012) C141(0.001) C142(-
 0.004) C143(0.008) C144(0.012) C145(0.01) C146(-0.001) C147(0.007) C148(0.006)
 C149(-0.002) C150(-0.002) C151(0.001) C152(0.004) C153(0.001) C154(0.002)
 C155(-0.004) C156(-0.004) C157(-0.016) C158(-0.02) C159(0.001) C160(0.004)
 C161(0.005) C162(0.002) C163(0.005) C164(0.004) C165(-0.003) C166(-0.002)
 C167(-0.002) C168(-0.004) C169(-0.012) C170(-0.011) C171(0.004) C172(-0.008)
 C173(-0.01) C174(-0.005) C175(0.007) C176(0.005) O1(0.005) C17A(0.004)
 C17B(0.002) C17C(0.002) C17D(-0.001) C17E(-0.003) C17F(-0.003) C177(-0.001)
 C178(0.005) C179(0.007) C180(0.005) C181(0.009) C182(0.008) C183(0.004)
 C184(0.011) C185(0.003) C186(0.003) C187(0.008) C188(0.008) C189(0.009)
 C190(0.005) C191(0.005) C192(0.002) C193(0.007) C194(0.007) C195(0.003)
 C196(0) C197(0.004) C198(0.005) C199(-0.001) C200(-0.002) C201(0.005)
 C202(0.001) C203(0.006) C204(0.003) C205(0.008) C206(0.003) C207(-0.007) C208(-
 0.001) C209(0.003) C210(-0.001) C211(0.004) C212(0.004) C213(-0.002) C214(-
 0.001) Cu1(-0.001) Cu2(-0.003) Cu3(0.001) Cu4(0.006) Cu5(0.004) Cu6(0.005) F1(-
 0.002) F2(0.001) F3(0.001) F4(-0.016) N1(-0.004) N2(-0.004) N3(0.002) N4(-
 0.002) O2(-0.003) O3(0.004) O4(-0.013) O5(0.005) O6(0.008) O7(0) O8(0.004) P1(-
 0.004) P2(-0.005) P3(-0.002) P4(-0.001) P5(0.001) P6(0.002) P7(0.009)
 P8(0.004) P9(0.001) P10(0.009) P11(0.005) P12(0.005) B2(0) F8(0) F7(-0.001)
 F5(-0.002) F6(-0.001)
 Fixed U33: B1(0.111) C1(0.039) C2(0.042) C3(0.05) C4(0.066) C5(0.073)
 C6(0.061) C7(0.065) C8(0.062) C9(0.085) C10(0.091) C11(0.099) C12(0.113)
 C13(0.123) C14(0.118) C15(0.107) C16(0.149) C17(0.036) C18(0.043) C19(0.041)
 C20(0.04) C21(0.048) C22(0.038) C23(0.058) C24(0.057) C25(0.049) C26(0.044)
 C27(0.055) C28(0.053) C29(0.051) C30(0.052) C31(0.047) C32(0.086) C33(0.045)
 C34(0.059) C35(0.076) C36(0.079) C37(0.087) C38(0.069) C39(0.051) C40(0.115)
 C41(0.13) C42(0.119) C43(0.095) C44(0.084) C45(0.033) C46(0.037) C47(0.063)
 C48(0.068) C49(0.059) C50(0.077) C51(0.067) C52(0.037) C53(0.049) C54(0.056)
 C55(0.063) C56(0.077) C57(0.065) C58(0.031) C59(0.087) C60(0.099) C61(0.072)
 C62(0.082) C63(0.081) C64(0.04) C65(0.05) C66(0.069) C67(0.066) C68(0.061)
 C69(0.045) C70(0.029) C71(0.034) C72(0.038) C73(0.051) C74(0.053) C75(0.041)
 C76(0.032) C77(0.029) C78(0.04) C79(0.05) C80(0.048) C81(0.043) C82(0.036)
 C83(0.039) C84(0.041) C85(0.056) C86(0.055) C87(0.045) C88(0.041) C89(0.035)
 C90(0.043) C91(0.047) C92(0.053) C93(0.051) C94(0.043) C95(0.037) C96(0.047)
 C97(0.078) C98(0.099) C99(0.091) C100(0.071) C101(0.056) C102(0.046)
 C103(0.075) C104(0.091) C105(0.095) C106(0.085) C107(0.077) C108(0.045)
 C109(0.04) C110(0.046) C111(0.05) C112(0.051) C113(0.047) C114(0.055)
 C115(0.053) C116(0.048) C117(0.049) C118(0.055) C119(0.058) C120(0.061)
 C121(0.063) C122(0.051) C123(0.087) C124(0.04) C125(0.042) C126(0.04)
 C127(0.045) C128(0.047) C129(0.041) C130(0.046) C131(0.041) C132(0.048)
 C133(0.044) C134(0.044) C135(0.046) C136(0.055) C137(0.068) C138(0.064)
 C139(0.09) C140(0.042) C141(0.058) C142(0.071) C143(0.068) C144(0.066)
 C145(0.064) C146(0.037) C147(0.046) C148(0.058) C149(0.058) C150(0.058)
 C151(0.046) C152(0.04) C153(0.053) C154(0.064) C155(0.072) C156(0.092)
 C157(0.1) C158(0.088) C159(0.045) C160(0.056) C161(0.063) C162(0.074)
 C163(0.07) C164(0.055) C165(0.053) C166(0.055) C167(0.067) C168(0.081)
 C169(0.09) C170(0.082) C171(0.063) C172(0.081) C173(0.102) C174(0.094)
 C175(0.089) C176(0.073) O1(0.089) C17A(0.063) C17B(0.07) C17C(0.076)
 C17D(0.077) C17E(0.072) C17F(0.062) C177(0.049) C178(0.052) C179(0.058)
 C180(0.066) C181(0.065) C182(0.055) C183(0.052) C184(0.052) C185(0.057)
 C186(0.071) C187(0.071) C188(0.071) C189(0.068) C190(0.041) C191(0.045)
 C192(0.057) C193(0.059) C194(0.046) C195(0.044) C196(0.035) C197(0.041)
 C198(0.046) C199(0.048) C200(0.049) C201(0.04) C202(0.035) C203(0.043)
 C204(0.051) C205(0.063) C206(0.068) C207(0.077) C208(0.062) C209(0.037)
 C210(0.045) C211(0.053) C212(0.065) C213(0.059) C214(0.049) Cu1(0.03)
 Cu2(0.026) Cu3(0.027) Cu4(0.034) Cu5(0.037) Cu6(0.037) F1(0.147) F2(0.13)
 F3(0.151) F4(0.151) N1(0.073) N2(0.05) N3(0.051) N4(0.049) O2(0.153) O3(0.065)
 O4(0.078) O5(0.052) O6(0.08) O7(0.049) O8(0.079) P1(0.029) P2(0.03) P3(0.03)
 P4(0.025) P5(0.03) P6(0.028) P7(0.038) P8(0.035) P9(0.047) P10(0.047)
 P11(0.036) P12(0.033) B2(0.394) F8(0.388) F7(0.399) F5(0.393) F6(0.395)
 Fixed Uiso: B1(0.11) C1(0.035) C2(0.042) C3(0.047) C4(0.068) H4(0.082)
 C5(0.073) H5(0.088) C6(0.057) C7(0.07) H7(0.084) C8(0.069) H8(0.083) C9(0.073)
 C10(0.079) C11(0.089) H11(0.107) C12(0.108) H12(0.129) C13(0.112) C14(0.105)
 H14(0.126) C15(0.098) H15(0.118) C16(0.144) H16A(0.173) H16B(0.173)
 H16C(0.173) C17(0.032) C18(0.039) C19(0.038) C20(0.042) H20(0.05) C21(0.045)
 H21(0.054) C22(0.04) C23(0.053) H23(0.063) C24(0.053) H24(0.063) C25(0.049)
 C26(0.046) C27(0.053) H27(0.064) C28(0.054) H28(0.064) C29(0.054) C30(0.053)
 H30(0.064) C31(0.05) H31(0.06) C32(0.088) H32A(0.105) H32B(0.105) H32C(0.105)
 C33(0.052) C34(0.073) H34(0.087) C35(0.091) H35(0.109) C36(0.086) H36(0.103)
 C37(0.088) H37(0.105) C38(0.072) H38(0.086) C39(0.054) C40(0.102) H40(0.122)
 C41(0.119) H41(0.143) C42(0.113) H42(0.135) C43(0.095) H43(0.114) C44(0.081)
 H44(0.097) C45(0.04) H45A(0.048) H45B(0.048) C46(0.038) C47(0.057) H47(0.068)
 C48(0.062) H48(0.074) C49(0.054) H49(0.065) C50(0.064) H50(0.077) C51(0.055)
 H51(0.066) C52(0.037) C53(0.051) H53(0.061) C54(0.056) H54(0.067) C55(0.059)
 H55(0.071) C56(0.069) H56(0.083) C57(0.058) H57(0.07) C58(0.038) C59(0.072)
 H59(0.087) C60(0.085) H60(0.102) C61(0.072) H61(0.086) C62(0.073) H62(0.088)
 C63(0.067) H63(0.081) C64(0.038) C65(0.048) H65(0.057) C66(0.064) H66(0.076)
 C67(0.059) H67(0.071) C68(0.06) H68(0.072) C69(0.047) H69(0.056) C70(0.029)
 H70A(0.035) H70B(0.035) C71(0.03) C72(0.034) H72(0.041) C73(0.044) H73(0.053)
 C74(0.043) H74(0.052) C75(0.042) H75(0.05) C76(0.032) H76(0.039) C77(0.028)
 C78(0.036) H78(0.043) C79(0.044) H79(0.053) C80(0.046) H80(0.055) C81(0.045)
 H81(0.054) C82(0.035) H82(0.042) C83(0.035) C84(0.039) H84(0.047) C85(0.047)
 H85(0.057) C86(0.05) H86(0.06) C87(0.047) H87(0.057) C88(0.038) H88(0.045)
 C89(0.036) C90(0.043) H90(0.052) C91(0.052) H91(0.062) C92(0.059) H92(0.07)
 C93(0.054) H93(0.065) C94(0.046) H94(0.055) C95(0.035) H95A(0.042) H95B(0.042)
 C96(0.049) C97(0.071) H97(0.085) C98(0.088) H98(0.106) C99(0.087) H99(0.104)
 C100(0.07) H100(0.084) C101(0.058) H101(0.07) C102(0.056) C103(0.082)
 H103(0.098) C104(0.094) H104(0.113) C105(0.103) H105(0.123) C106(0.098)
 H106(0.118) C107(0.086) H107(0.104) C108(0.043) C109(0.039) C110(0.042)
 C111(0.049) H111(0.058) C112(0.049) H112(0.059) C113(0.044) C114(0.054)
 H114(0.065) C115(0.055) H115(0.066) C116(0.047) C117(0.043) C118(0.05)
 H118(0.06) C119(0.057) H119(0.068) C120(0.056) C121(0.056) H121(0.067)
 C122(0.049) H122(0.059) C123(0.087) H12A(0.105) H12B(0.105) H12C(0.105)
 C124(0.039) C125(0.041) C126(0.04) C127(0.047) H127(0.056) C128(0.047)
 H128(0.056) C129(0.043) C130(0.044) H130(0.053) C131(0.039) H131(0.047)
 C132(0.049) C133(0.048) C134(0.051) H134(0.061) C135(0.05) H135(0.06)
 C136(0.058) C137(0.063) H137(0.076) C138(0.061) H138(0.073) C139(0.085)
 H13A(0.101) H13B(0.101) H13C(0.101) C140(0.044) C141(0.059) H141(0.071)
 C142(0.07) H142(0.084) C143(0.069) H143(0.083) C144(0.064) H144(0.077)
 C145(0.06) H145(0.072) C146(0.037) C147(0.044) H147(0.052) C148(0.054)
 H148(0.065) C149(0.052) H149(0.063) C150(0.051) H150(0.061) C151(0.044)
 H151(0.053) C152(0.044) H15A(0.053) H15B(0.053) C153(0.057) C154(0.069)
 H154(0.083) C155(0.081) H155(0.097) C156(0.099) H156(0.119) C157(0.103)
 H157(0.123) C158(0.092) H158(0.11) C159(0.048) C160(0.057) H160(0.068)
 C161(0.065) H161(0.079) C162(0.074) H162(0.089) C163(0.073) H163(0.087)
 C164(0.057) H164(0.068) C165(0.053) C166(0.054) H166(0.065) C167(0.069)
 H167(0.083) C168(0.082) H168(0.098) C169(0.089) H169(0.106) C170(0.078)
 H170(0.094) C171(0.056) C172(0.079) H172(0.094) C173(0.1) H173(0.12)
 C174(0.089) H174(0.107) C175(0.081) H175(0.097) C176(0.066) H176(0.079)
 O1(0.09) C17A(0.056) C17B(0.071) H17Q(0.085) C17C(0.076) H17C(0.091)
 C17D(0.077) H17D(0.093) C17E(0.069) H17E(0.083) C17F(0.061) H17F(0.073)
 C177(0.044) H17A(0.053) H17B(0.053) C178(0.042) C179(0.048) H179(0.057)
 C180(0.056) H180(0.067) C181(0.057) H181(0.068) C182(0.052) H182(0.063)
 C183(0.047) H183(0.056) C184(0.046) C185(0.053) H185(0.064) C186(0.067)
 H186(0.081) C187(0.072) H187(0.086) C188(0.067) H188(0.081) C189(0.061)
 H189(0.073) C190(0.037) C191(0.041) H191(0.05) C192(0.049) H192(0.059)
 C193(0.051) H193(0.061) C194(0.048) H194(0.057) C195(0.043) H195(0.052)
 C196(0.036) C197(0.039) H197(0.046) C198(0.045) H198(0.054) C199(0.044)
 H199(0.053) C200(0.043) H200(0.051) C201(0.039) H201(0.047) C202(0.038)
 H20A(0.045) H20B(0.045) C203(0.044) C204(0.053) H204(0.063) C205(0.063)
 H205(0.076) C206(0.07) H206(0.084) C207(0.07) H207(0.084) C208(0.058)
 H208(0.07) C209(0.036) C210(0.046) H210(0.055) C211(0.052) H211(0.063)
 C212(0.06) H212(0.072) C213(0.055) H213(0.066) C214(0.047) H214(0.057)
 Cu1(0.035) Cu2(0.029) Cu3(0.029) Cu4(0.035) Cu5(0.035) Cu6(0.036) F1(0.136)
 F2(0.122) F3(0.158) F4(0.142) N1(0.065) H1(0.078) N2(0.048) H2(0.057)
 N3(0.048) H3(0.058) N4(0.049) H4A(0.059) O2(0.139) O3(0.062) O4(0.074)
 O5(0.061) O6(0.074) O7(0.055) O8(0.073) P1(0.037) P2(0.032) P3(0.029)
 P4(0.026) P5(0.029) P6(0.039) P7(0.037) P8(0.04) P9(0.041) P10(0.038)
 P11(0.036) P12(0.035) B2(0.394) F8(0.389) F7(0.399) F5(0.394) F6(0.395)
 Fixed X: H4(0.7007) H5(0.8012) H7(0.8217) H8(0.7212) H11(0.9751) H12(1.0766)
 H14(1.1285) H15(1.0276) H16A(1.1532) H16B(1.2214) H16C(1.1709) H20(0.3791)
 H21(0.2864) H23(0.211) H24(0.3042) H27(0.1161) H28(0.0307) H30(-0.0647)
 H31(0.0205) H32A(-0.0807) H32B(-0.1148) H32C(-0.0433) H34(0.4699) H35(0.5201)
 H36(0.6) H37(0.6326) H38(0.5793) H40(0.3889) H41(0.2844) H42(0.2615)
 H43(0.3266) H44(0.4278) H45A(0.5765) H45B(0.5184) H47(0.6597) H48(0.7561)
 H49(0.7705) H50(0.6897) H51(0.5943) H53(0.5252) H54(0.4495) H55(0.3702)
 H56(0.3663) H57(0.4415) H59(0.6567) H60(0.6364) H61(0.5374) H62(0.4622)
 H63(0.4827) H65(0.6829) H66(0.7868) H67(0.8263) H68(0.7665) H69(0.6652)
 H70A(0.505) H70B(0.5677) H72(0.6461) H73(0.743) H74(0.7677) H75(0.699)
 H76(0.6035) H78(0.4224) H79(0.3454) H80(0.361) H81(0.4551) H82(0.531)
 H84(0.6241) H85(0.698) H86(0.6874) H87(0.5953) H88(0.5199) H90(0.4673)
 H91(0.3773) H92(0.2997) H93(0.3049) H94(0.3931) H95A(0.5545) H95B(0.4967)
 H97(0.3607) H98(0.2605) H99(0.2288) H100(0.2958) H101(0.3964) H103(0.5628)
 H104(0.5744) H105(0.4944) H106(0.3967) H107(0.388) H111(0.2187) H112(0.3205)
 H114(0.3413) H115(0.2402) H118(0.4909) H119(0.5893) H121(0.6456) H122(0.5478)
 H12A(0.6926) H12B(0.7421) H12C(0.6749) H127(-0.1882) H128(-0.2821) H130(-
 0.205) H131(-0.1112) H134(-0.4751) H135(-0.5568) H137(-0.4489) H138(-0.3688)
 H13A(-0.6278) H13B(-0.637) H13C(-0.608) H141(0.0958) H142(0.1887) H143(0.2736)
 H144(0.263) H145(0.1689) H147(0.0294) H148(-0.0552) H149(-0.1358) H150(-
 0.1436) H151(-0.061) H15A(0.0873) H15B(0.0327) H154(0.0875) H155(0.0913)
 H156(0.0113) H157(-0.0726) H158(-0.0796) H160(-0.062) H161(-0.1604) H162(-
 0.2372) H163(-0.2172) H164(-0.1178) H166(0.1086) H167(0.1766) H168(0.1912)
 H169(0.1415) H170(0.0672) H172(-0.0213) H173(-0.1176) H174(-0.201) H175(-
 0.1881) H176(-0.0917) H17Q(-0.0358) H17C(-0.1176) H17D(-0.1793) H17E(-0.1592)
 H17F(-0.0773) H17A(0.0903) H17B(0.0271) H179(0.1419) H180(0.2082) H181(0.1801)
 H182(0.0858) H183(0.02) H185(-0.0241) H186(-0.1194) H187(-0.1988) H188(-
 0.1824) H189(-0.0873) H191(0.1541) H192(0.2467) H193(0.2685) H194(0.1968)
 H195(0.1062) H197(0.0324) H198(-0.0498) H199(-0.1396) H200(-0.1524) H201(-
 0.0708) H20A(0.0107) H20B(0.0723) H204(-0.0029) H205(-0.0204) H206(0.055)
 H207(0.1437) H208(0.1621) H210(0.1687) H211(0.2714) H212(0.3352) H213(0.2963)
 H214(0.1939) H1(0.8963) H2(0.1847) H3(0.4114) H4A(-0.3044)
 Fixed Y: H4(0.3812) H5(0.3845) H7(0.4363) H8(0.4281) H11(0.4316) H12(0.4286)
 H14(0.3866) H15(0.3949) H16A(0.4024) H16B(0.412) H16C(0.444) H20(0.2841)
 H21(0.2629) H23(0.359) H24(0.3794) H27(0.2429) H28(0.2176) H30(0.31)
 H31(0.3345) H32A(0.1953) H32B(0.2114) H32C(0.2103) H34(0.3532) H35(0.3818)
 H36(0.4195) H37(0.437) H38(0.4116) H40(0.3945) H41(0.3751) H42(0.3121)
 H43(0.2665) H44(0.2833) H45A(0.3202) H45B(0.2946) H47(0.3134) H48(0.2867)
 H49(0.2238) H50(0.189) H51(0.2159) H53(0.2186) H54(0.1741) H55(0.1795)
 H56(0.2322) H57(0.2773) H59(0.2366) H60(0.1702) H61(0.1491) H62(0.1929)
 H63(0.2582) H65(0.3273) H66(0.3355) H67(0.3214) H68(0.305) H69(0.2955)
 H70A(0.3143) H70B(0.3163) H72(0.4108) H73(0.4249) H74(0.4142) H75(0.3869)
 H76(0.3698) H78(0.3576) H79(0.3636) H80(0.3961) H81(0.4238) H82(0.4186)
 H84(0.4995) H85(0.5214) H86(0.518) H87(0.4965) H88(0.4763) H90(0.5389)
 H91(0.5669) H92(0.5285) H93(0.4628) H94(0.4338) H95A(0.4829) H95B(0.5089)
 H97(0.4071) H98(0.4201) H99(0.482) H100(0.5321) H101(0.5211) H103(0.4925)
 H104(0.521) H105(0.5257) H106(0.4969) H107(0.4684) H111(0.3605) H112(0.3697)
 H114(0.42) H115(0.4116) H118(0.4265) H119(0.426) H121(0.3796) H122(0.3796)
 H12A(0.4456) H12B(0.4132) H12C(0.4064) H127(0.3792) H128(0.3596) H130(0.2701)
 H131(0.2892) H134(0.3307) H135(0.2978) H137(0.2112) H138(0.2409) H13A(0.251)
 H13B(0.2281) H13C(0.27) H141(0.2041) H142(0.1747) H143(0.2086) H144(0.2638)
 H145(0.2934) H147(0.2007) H148(0.1609) H149(0.1749) H150(0.2333) H151(0.2742)
 H15A(0.3061) H15B(0.2781) H154(0.3373) H155(0.3694) H156(0.3956) H157(0.4105)
 H158(0.3805) H160(0.2714) H161(0.2511) H162(0.2888) H163(0.3437) H164(0.363)
 H166(0.397) H167(0.4094) H168(0.4702) H169(0.5209) H170(0.5083) H172(0.4784)
 H173(0.491) H174(0.4758) H175(0.4481) H176(0.4355) H17Q(0.423) H17C(0.4418)
 H17D(0.4917) H17E(0.5227) H17F(0.5039) H17A(0.4762) H17B(0.4975) H179(0.494)
 H180(0.5178) H181(0.5176) H182(0.496) H183(0.4723) H185(0.5313) H186(0.5575)
 H187(0.5151) H188(0.4515) H189(0.4252) H191(0.408) H192(0.4247) H193(0.4178)
 H194(0.3913) H195(0.3707) H197(0.4192) H198(0.4286) H199(0.3991) H200(0.3634)
 H201(0.3526) H20A(0.31) H20B(0.3137) H204(0.2478) H205(0.1822) H206(0.1418)
 H207(0.1668) H208(0.2323) H210(0.3023) H211(0.3071) H212(0.3159) H213(0.3163)
 H214(0.3088) H1(0.408) H2(0.2729) H3(0.3981) H4A(0.2783)
 Fixed Z: H4(0.677) H5(0.6654) H7(0.8057) H8(0.8198) H11(0.6662) H12(0.632)
 H14(0.7729) H15(0.8096) H16A(0.6127) H16B(0.627) H16C(0.6339) H20(0.8732)
 H21(0.8976) H23(0.8395) H24(0.8131) H27(0.9379) H28(0.9794) H30(0.9297)
 H31(0.8902) H32A(0.9703) H32B(1.0209) H32C(1.02) H34(0.5453) H35(0.4721)
 H36(0.4842) H37(0.5698) H38(0.6431) H40(0.625) H41(0.6032) H42(0.6095)
 H43(0.6229) H44(0.6367) H45A(0.6454) H45B(0.6348) H47(0.6917) H48(0.6894)
 H49(0.7148) H50(0.749) H51(0.7488) H53(0.6693) H54(0.6688) H55(0.7296)
 H56(0.7858) H57(0.7847) H59(0.8725) H60(0.8726) H61(0.8739) H62(0.8756)
 H63(0.8681) H65(0.8027) H66(0.8174) H67(0.9004) H68(0.9678) H69(0.9559)
 H70A(0.9242) H70B(0.9548) H72(0.8794) H73(0.9099) H74(0.9981) H75(1.0537)
 H76(1.0235) H78(0.9278) H79(0.9873) H80(1.0664) H81(1.0842) H82(1.0224)
 H84(0.8215) H85(0.8787) H86(0.9682) H87(1.0042) H88(0.9471) H90(0.861)
 H91(0.8895) H92(0.915) H93(0.9067) H94(0.8784) H95A(0.7624) H95B(0.7734)
 H97(0.7416) H98(0.7524) H99(0.7667) H100(0.7643) H101(0.7506) H103(0.6758)
 H104(0.591) H105(0.538) H106(0.5588) H107(0.6426) H111(0.3034) H112(0.3217)
 H114(0.1799) H115(0.1624) H118(0.3242) H119(0.3573) H121(0.2199) H122(0.188)
 H12A(0.3552) H12B(0.3645) H12C(0.3837) H127(0.1774) H128(0.1472) H130(0.0738)
 H131(0.1045) H134(0.0819) H135(0.0435) H137(0.0061) H138(0.0472) H13A(0.0272)
 H13B(-0.0267) H13C(-0.0273) H141(0.2097) H142(0.2056) H143(0.233) H144(0.2814)
 H145(0.2878) H147(0.2957) H148(0.2954) H149(0.2451) H150(0.2016) H151(0.1995)
 H15A(0.3258) H15B(0.339) H154(0.3993) H155(0.4818) H156(0.5158) H157(0.4655)
 H158(0.3813) H160(0.3612) H161(0.3692) H162(0.3361) H163(0.2881) H164(0.2757)
 H166(0.3292) H167(0.3942) H168(0.4256) H169(0.3828) H170(0.3187) H172(0.3648)
 H173(0.3958) H174(0.3439) H175(0.2609) H176(0.2299) H17Q(0.3458) H17C(0.3966)
 H17D(0.3678) H17E(0.2883) H17F(0.2376) H17A(0.2203) H17B(0.2241) H179(0.1568)
 H180(0.0932) H181(0.0047) H182(-0.0201) H183(0.044) H185(0.1528) H186(0.137)
 H187(0.1169) H188(0.104) H189(0.118) H191(0.1016) H192(0.0686) H193(-0.019)
 H194(-0.0769) H195(-0.0457) H197(-0.037) H198(-0.0941) H199(-0.077)
 H200(0.0003) H201(0.0563) H20A(0.0512) H20B(0.0196) H204(0.1272) H205(0.1253)
 H206(0.0965) H207(0.0629) H208(0.0683) H210(0.0142) H211(0.0022) H212(0.0731)
 H213(0.1592) H214(0.173) H1(0.6905) H2(0.9078) H3(0.2982) H4A(0.0661)
;