#------------------------------------------------------------------------------
#$Date: 2024-12-06 17:33:02 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296325 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/39/7133949.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7133949
loop_
_publ_author_name
'Lee, Seungwon'
'Lee, Byeung Ju'
'Song, Geunmoo'
'Jeong, Kyu-Sung'
_publ_section_title
;
 Helical aromatic foldamers with tubular cavities capable of accommodating
 multiple halide ions.
;
_journal_issue                   95
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              14081
_journal_page_last               14084
_journal_paper_doi               10.1039/d4cc05474a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety
'4(I), 0.5(C114 H104 N10), 0.5(C114 H95 N10), 0.25(C6)'
_chemical_formula_sum            'C115.5 H99.5 I4 N10'
_chemical_formula_weight         2135.15
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2024-07-25
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-10-09 deposited with the CCDC.	2024-11-06 downloaded from the CCDC.
;
_cell_angle_alpha                100.82(3)
_cell_angle_beta                 101.36(3)
_cell_angle_gamma                91.89(3)
_cell_formula_units_Z            8
_cell_length_a                   22.459(5)
_cell_length_b                   30.925(6)
_cell_length_c                   33.796(7)
_cell_measurement_reflns_used    262945
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.458
_cell_volume                     22544(9)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.800000
_diffrn_reflns_av_R_equivalents  0.2973
_diffrn_reflns_av_unetI/netI     0.5971
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            123015
_diffrn_reflns_point_group_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        27.000
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.326
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    1.588
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_description       Needle
_exptl_crystal_F_000             8596
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.015
_refine_diff_density_max         1.716
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       0.000018(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.690
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     4155
_refine_ls_number_reflns         63118
_refine_ls_number_restraints     3120
_refine_ls_restrained_S_all      0.686
_refine_ls_R_factor_all          0.2965
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0369P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1859
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12006
_reflns_number_total             63118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc05474a2.cif
_cod_data_source_block           lsw6x_a
_cod_depositor_comments
'Adding full bibliography for 7133949--7133951.cif.'
_cod_original_cell_volume        22544(8)
_cod_original_formula_sum        'C115.50 H99.50 I4 N10'
_cod_database_code               7133949
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H395(0.08) H418(0.079) H254(0.073) H294(0.094) H6(0.085)
 H398(0.081) H251(0.096) H127(0.097) H170(0.076) H274(0.069) H167(0.095)
 H271(0.083) H415(0.089) H3(0.067) H378(0.073) H15(0.102) H14(0.088)
 H283(0.078) H282(0.075) H147(0.081) H43(0.108) H23(0.088) H175(0.115)
 H173(0.096) H164(0.086) H162(0.089) H375(0.085) H328(0.077) H150(0.083)
 H71(0.081) H69(0.086) H73(0.064) H130(0.113) H10A(0.111) H10B(0.111)
 H10C(0.111) H87(0.094) H85(0.107) H84(0.103) H83(0.105) H20(0.084) H18(0.103)
 H308(0.097) H306(0.076) H263(0.098) H262(0.115) H31A(0.151) H31B(0.151)
 H31C(0.151) H324(0.082) H426(0.096) H46(0.092) H179(0.095) H178(0.117)
 H326(0.07) H60(0.091) H58(0.095) H55(0.071) H54(0.081) H392(0.117) H390(0.096)
 H159(0.075) H158(0.07) H387(0.091) H386(0.081) H279(0.073) H202(0.063)
 H200(0.088) H204(0.08) H36A(0.15) H36B(0.15) H36C(0.15) H319(0.097)
 H317(0.083) H321(0.089) H407(0.104) H406(0.076) H12A(0.127) H12B(0.127)
 H12C(0.127) H78(0.07) H76(0.083) H80(0.097) H211(0.076) H209(0.098)
 H208(0.114) H207(0.104) H186(0.088) H190(0.11) H189(0.116) H188(0.108)
 H456(0.092) H412(0.082) H410(0.083) H445(0.104) H443(0.091) H441(0.09)
 H268(0.068) H266(0.093) H401(0.087) H421(0.091) H423(0.133) H257(0.058)
 H47A(0.265) H47B(0.265) H47C(0.265) H195(0.079) H193(0.09) H197(0.089)
 H299(0.1) H297(0.107) H314(0.092) H313(0.09) H312(0.087) H310(0.093)
 H452(0.075) H40(0.093) H38(0.102) H48A(0.203) H48B(0.203) H48C(0.203)
 H291(0.09) H383(0.094) H381(0.097) H49(0.088) H51(0.096) H436(0.104)
 H332(0.112) H331(0.089) H335(0.101) H333(0.093) H35(0.075) H34(0.094)
 H67A(0.123) H67B(0.123) H67C(0.123) H427(0.121) H303(0.101) H403(0.111)
 H12D(0.118) H12E(0.118) H12F(0.118) H11A(0.172) H11B(0.172) H11C(0.172)
 H302(0.107) H45A(0.114) H45B(0.114) H45C(0.114) H455(0.096) H10D(0.163)
 H10E(0.163) H10F(0.163) H437(0.116) H26(0.085) H46A(0.154) H46B(0.154)
 H46C(0.154) H74A(0.14) H74B(0.14) H74C(0.14) H459(0.101) H448(0.086)
 H288(0.106) H11(0.078) H9(0.092) H66(0.092) H65(0.097) H64(0.087) H62(0.075)
 H450(0.083) H10G(0.134) H10H(0.134) H10I(0.134) H434(0.11) H35A(0.165)
 H35B(0.165) H35C(0.165) H286(0.089) H36D(0.149) H36E(0.149) H36F(0.149)
 H138(0.115) H139(0.135) H155(0.07) H153(0.101) H48D(0.174) H48E(0.174)
 H48F(0.174) H10J(0.187) H10K(0.187) H10L(0.187) H438(0.091) H184(0.109)
 H182(0.109) H24A(0.144) H24B(0.144) H24C(0.144) H19A(0.18) H19B(0.18)
 H19C(0.18) H20A(0.154) H20B(0.154) H20C(0.154) H21A(0.155) H21B(0.155)
 H21C(0.155) H457(0.101) H24D(0.134) H24E(0.134) H24F(0.134) H33A(0.132)
 H33B(0.132) H33C(0.132) H24G(0.172) H24H(0.172) H24I(0.172) H36G(0.154)
 H36H(0.154) H36I(0.154) H10M(0.142) H10N(0.142) H10O(0.142) H32A(0.154)
 H32B(0.154) H32C(0.154) H32D(0.135) H32E(0.135) H32F(0.135) H11D(0.207)
 H11E(0.207) H11F(0.207) H10P(0.152) H10Q(0.152) H10R(0.152) H35D(0.208)
 H35E(0.208) H35F(0.208) H35G(0.154) H35H(0.154) H35I(0.154) H43A(0.143)
 H43B(0.143) H43C(0.143) H19D(0.188) H19E(0.188) H19F(0.188) H35J(0.258)
 H35K(0.258) H35L(0.258) H36J(0.173) H36K(0.173) H36L(0.173) H23A(0.262)
 H23B(0.262) H23C(0.262) H142(0.117) H144(0.127) H35M(0.185) H35N(0.185)
 H35O(0.185) H36M(0.177) H36N(0.177) H36O(0.177) H35P(0.155) H35Q(0.155)
 H35R(0.155) H12G(0.19) H12H(0.19) H12I(0.19) H23D(0.175) H23E(0.175)
 H23F(0.175) H49A(0.22) H49B(0.22) H49C(0.22) H23G(0.206) H23H(0.206)
 H23I(0.206) H259(0.095) H277(0.089) H48G(0.226) H48H(0.226) H48I(0.226)
 H11G(0.261) H11H(0.261) H11I(0.261) H23J(0.228) H23K(0.228) H23L(0.228)
 H44A(0.186) H44B(0.186) H44C(0.186) H23M(0.185) H23N(0.185) H23O(0.185)
 H23P(0.199) H23Q(0.199) H23R(0.199) H49D(0.229) H49E(0.229) H49F(0.229)
 H24J(0.177) H24K(0.177) H24L(0.177) H37A(0.2) H37B(0.2) H37C(0.2) H11J(0.267)
 H11K(0.267) H11L(0.267) H23S(0.222) H23T(0.222) H23U(0.222) H23V(0.223)
 H23W(0.223) H23X(0.223) H47D(0.206) H47E(0.206) H47F(0.206) H12J(0.262)
 H12K(0.262) H12L(0.262) H88A(0.151) H88B(0.151) H88C(0.151) H37D(0.202)
 H37E(0.202) H37F(0.202) H36P(0.338) H36Q(0.338) H36R(0.338) H35S(0.296)
 H35T(0.296) H35U(0.296) H37G(0.239) H37H(0.239) H37I(0.239) H81A(0.172)
 H81B(0.172) H81C(0.172) H35V(0.168) H35W(0.168) H35X(0.168) H24M(0.156)
 H24N(0.156) H24O(0.156) H49G(0.322) H49H(0.322) H49I(0.322) H49J(0.302)
 H49K(0.302) H49L(0.302) H24P(0.206) H24Q(0.206) H24R(0.206) H31(0.127)
 H29(0.136) H49M(0.319) H49N(0.319) H49O(0.319) H24S(0.234) H24T(0.234)
 H24U(0.234) H135(0.095) H133(0.113) H48J(0.277) H48K(0.277) H48L(0.277)
 H430(0.136) H432(0.135) H49P(0.306) H49Q(0.306) H49R(0.306) H36S(0.208)
 H36T(0.208) H36U(0.208) H11M(0.211) H11N(0.211) H11O(0.211) H48M(0.49)
 H48N(0.49) H48O(0.49) H48P(0.383) H48Q(0.383) H48R(0.383) H48S(0.355)
 H48T(0.355) H48U(0.355) H47G(0.22) H47H(0.22) H47I(0.22) H47J(0.161)
 H47K(0.161) H47L(0.161) H47M(0.195) H47N(0.195) H47O(0.195)
 Fixed X: H395(0.7078) H418(0.8481) H254(0.8328) H294(0.5785) H6(0.8953)
 H398(0.5894) H251(0.8417) H127(0.485) H170(0.7883) H274(0.7099) H167(0.7605)
 H271(0.6051) H415(0.7978) H3(0.8928) H378(0.6064) H15(1.1247) H14(1.1254)
 H283(0.4881) H282(0.5755) H147(0.6518) H43(0.7202) H23(0.6579) H175(1.0121)
 H173(0.8778) H164(0.8304) H162(0.6814) H375(0.5127) H328(0.9355) H150(0.5395)
 H71(0.7357) H69(0.7499) H73(0.584) H130(0.5797) H10A(1.043) H10B(1.0042)
 H10C(1.071) H87(0.6649) H85(0.5166) H84(0.579) H83(0.6843) H20(0.938)
 H18(1.0938) H308(0.8013) H306(0.6278) H263(1.0737) H262(1.0648) H31A(0.5174)
 H31B(0.5604) H31C(0.562) H324(0.9588) H426(1.0593) H46(0.6181) H179(0.9951)
 H178(1.0139) H326(0.7982) H60(0.8709) H58(0.6994) H55(0.5802) H54(0.4933)
 H392(0.3179) H390(0.2929) H159(0.5551) H158(0.4573) H387(0.365) H386(0.4449)
 H279(0.6977) H202(0.5815) H200(0.4178) H204(0.5728) H36A(0.8218) H36B(0.7988)
 H36C(0.7717) H319(0.6676) H317(0.6591) H321(0.507) H407(0.6439) H406(0.5415)
 H12A(0.3178) H12B(0.2554) H12C(0.3051) H78(0.8462) H76(1.01) H80(0.9928)
 H211(0.6465) H209(0.6759) H208(0.5715) H207(0.5047) H186(0.5566) H190(0.5835)
 H189(0.4784) H188(0.4125) H456(0.6724) H412(0.9046) H410(0.7738) H445(0.9453)
 H443(0.7646) H441(0.8773) H268(0.9111) H266(1.0555) H401(0.3698) H421(0.977)
 H423(1.0781) H257(0.8638) H47A(0.7495) H47B(0.6973) H47C(0.7269) H195(0.7256)
 H193(0.8549) H197(0.9042) H299(0.3604) H297(0.3828) H314(0.552) H313(0.6313)
 H312(0.7316) H310(0.6732) H452(0.5782) H40(0.4699) H38(0.4506) H48A(0.2991)
 H48B(0.2757) H48C(0.3454) H291(0.6739) H383(0.5547) H381(0.7336) H49(0.4089)
 H51(0.4095) H436(0.4307) H332(0.5868) H331(0.6895) H335(0.646) H333(0.5137)
 H35(0.5233) H34(0.604) H67A(0.56) H67B(0.6125) H67C(0.6033) H427(1.019)
 H303(0.5171) H403(0.4313) H12D(0.3147) H12E(0.2678) H12F(0.3366) H11A(0.3488)
 H11B(0.342) H11C(0.3016) H302(0.4365) H45A(0.4821) H45B(0.4349) H45C(0.4352)
 H455(0.5945) H10D(1.1636) H10E(1.1552) H10F(1.1365) H437(0.4881) H26(0.7539)
 H46A(0.5974) H46B(0.6136) H46C(0.5671) H74A(0.5946) H74B(0.6241) H74C(0.66)
 H459(0.7215) H448(0.4381) H288(0.4102) H11(1.1) H9(0.9516) H66(0.5839)
 H65(0.6536) H64(0.7558) H62(0.7184) H450(0.6118) H10G(1.03) H10H(1.0808)
 H10I(1.1006) H434(0.5787) H35A(1.0371) H35B(1.0462) H35C(0.9795) H286(0.4058)
 H36D(0.778) H36E(0.7869) H36F(0.7231) H138(0.4213) H139(0.3408) H155(0.3545)
 H153(0.324) H48D(0.2902) H48E(0.2384) H48F(0.2736) H10J(1.0334) H10K(0.9878)
 H10L(1.0531) H438(0.5921) H184(0.7674) H182(0.9389) H24A(1.0101) H24B(0.9478)
 H24C(0.9562) H19A(0.6543) H19B(0.6673) H19C(0.6557) H20A(0.4251) H20B(0.4822)
 H20C(0.4334) H21A(0.5234) H21B(0.4895) H21C(0.5467) H457(0.7719) H24D(1.0443)
 H24E(1.0677) H24F(1.0911) H33A(0.7666) H33B(0.7508) H33C(0.7443) H24G(1.043)
 H24H(1.0487) H24I(0.9852) H36G(0.8938) H36H(0.8935) H36I(0.8973) H10M(1.1487)
 H10N(1.143) H10O(1.128) H32A(1.018) H32B(1.0378) H32C(1.0401) H32D(0.5674)
 H32E(0.5041) H32F(0.5442) H11D(0.3591) H11E(0.4266) H11F(0.4154) H10P(1.0165)
 H10Q(1.0867) H10R(1.0686) H35D(1.0287) H35E(1.0192) H35F(0.9646) H35G(1.1097)
 H35H(1.1046) H35I(1.1248) H43A(0.6737) H43B(0.6676) H43C(0.6783) H19D(0.9693)
 H19E(0.9775) H19F(0.9577) H35J(0.2869) H35K(0.245) H35L(0.2964) H36J(0.7987)
 H36K(0.738) H36L(0.7934) H23A(0.8071) H23B(0.7395) H23C(0.792) H142(0.2685)
 H144(0.2902) H35M(0.9577) H35N(0.9022) H35O(0.9565) H36M(0.7018) H36N(0.6517)
 H36O(0.6698) H35P(1.072) H35Q(1.0638) H35R(1.0475) H12G(0.319) H12H(0.2573)
 H12I(0.3119) H23D(0.7163) H23E(0.6534) H23F(0.6966) H49A(1.0571) H49B(1.1154)
 H49C(1.124) H23G(0.2587) H23H(0.1945) H23I(0.2484) H259(1.023) H277(0.8622)
 H48G(0.3536) H48H(0.2811) H48I(0.3202) H11G(0.7457) H11H(0.8114) H11I(0.7808)
 H23J(0.7027) H23K(0.6881) H23L(0.7378) H44A(0.9979) H44B(0.9801) H44C(1.0109)
 H23M(0.2193) H23N(0.1802) H23O(0.2393) H23P(0.5618) H23Q(0.5786) H23R(0.6077)
 H49D(1.0561) H49E(1.1288) H49F(1.0966) H24J(0.2698) H24K(0.2054) H24L(0.2651)
 H37A(0.2904) H37B(0.2842) H37C(0.227) H11J(0.3889) H11K(0.3598) H11L(0.3223)
 H23S(0.8802) H23T(0.8775) H23U(0.8906) H23V(0.7444) H23W(0.8036) H23X(0.8095)
 H47D(0.6227) H47E(0.5772) H47F(0.5958) H12J(0.8299) H12K(0.8137) H12L(0.7612)
 H88A(0.757) H88B(0.7707) H88C(0.7644) H37D(0.2242) H37E(0.2857) H37F(0.282)
 H36P(0.2943) H36Q(0.2673) H36R(0.3337) H35S(0.3735) H35T(0.3008) H35U(0.3392)
 H37G(0.2688) H37H(0.2606) H37I(0.2112) H81A(1.0948) H81B(1.0957) H81C(1.0811)
 H35V(1.0196) H35W(0.9468) H35X(0.9847) H24M(0.9626) H24N(0.9608) H24O(0.9708)
 H49G(0.8682) H49H(0.8388) H49I(0.8007) H49J(0.9569) H49K(0.9542) H49L(0.9408)
 H24P(0.8059) H24Q(0.8658) H24R(0.8596) H31(0.7181) H29(0.8905) H49M(0.8463)
 H49N(0.7926) H49O(0.852) H24S(0.8981) H24T(0.8614) H24U(0.8269) H135(0.5366)
 H133(0.713) H48J(0.7276) H48K(0.6878) H48L(0.6585) H430(0.9446) H432(0.7663)
 H49P(1.155) H49Q(1.1545) H49R(1.1885) H36S(0.7955) H36T(0.8124) H36U(0.7455)
 H11M(0.8946) H11N(0.9003) H11O(0.9067) H48M(0.8378) H48N(0.9045) H48O(0.8561)
 H48P(0.9436) H48Q(0.9798) H48R(0.9743) H48S(0.8869) H48T(0.9545) H48U(0.9032)
 H47G(0.2211) H47H(0.1615) H47I(0.2232) H47J(0.2123) H47K(0.1554) H47L(0.2159)
 H47M(0.1889) H47N(0.1516) H47O(0.2156)
 Fixed Y: H395(0.2886) H418(0.2437) H254(0.3521) H294(0.3056) H6(0.3325)
 H398(0.2612) H251(0.2588) H127(0.1713) H170(0.2596) H274(0.2081) H167(0.1668)
 H271(0.2511) H415(0.1547) H3(0.2409) H378(0.1191) H15(0.2552) H14(0.3318)
 H283(0.0981) H282(0.0615) H147(0.2872) H43(0.356) H23(0.2525) H175(0.3235)
 H173(0.4076) H164(0.3852) H162(0.4554) H375(0.1769) H328(0.3868) H150(0.2479)
 H71(0.3645) H69(0.4961) H73(0.4324) H130(0.1189) H10A(0.5395) H10B(0.5472)
 H10C(0.5711) H87(0.1953) H85(0.1087) H84(0.0534) H83(0.0691) H20(0.0877)
 H18(0.1632) H308(0.4975) H306(0.5296) H263(0.2941) H262(0.3704) H31A(0.155)
 H31B(0.1975) H31C(0.1792) H324(0.2552) H426(0.1795) H46(0.2991) H179(0.1538)
 H178(0.2305) H326(0.2991) H60(0.4821) H58(0.522) H55(0.4846) H54(0.4359)
 H392(0.2402) H390(0.1073) H159(0.436) H158(0.4028) H387(0.036) H386(-0.0108)
 H279(0.0381) H202(0.145) H200(0.0748) H204(0.0127) H36A(0.5691) H36B(0.6176)
 H36C(0.5861) H319(0.3653) H317(0.4958) H321(0.4216) H407(0.4477) H406(0.4237)
 H12A(0.232) H12B(0.2509) H12C(0.2387) H78(0.2824) H76(0.2339) H80(0.3656)
 H211(0.3044) H209(0.4354) H208(0.4437) H207(0.3823) H186(0.285) H190(0.4162)
 H189(0.4229) H188(0.3606) H456(0.4477) H412(0.3686) H410(0.4553) H445(0.2183)
 H443(0.1929) H441(0.0932) H268(0.1119) H266(0.2012) H401(0.2444) H421(0.3766)
 H423(0.2705) H257(0.5119) H47A(-0.1009) H47B(-0.1083) H47C(-0.0596)
 H195(0.1969) H193(0.1089) H197(0.239) H299(0.3553) H297(0.2252) H314(0.0847)
 H313(0.0382) H312(0.0683) H310(0.1914) H452(0.0228) H40(0.3048) H38(0.1727)
 H48A(0.3282) H48B(0.3676) H48C(0.3689) H291(0.3681) H383(-0.0482) H381(-
 0.0067) H49(0.2338) H51(0.3664) H436(0.3632) H332(0.059) H331(0.0838)
 H335(0.2092) H333(0.1092) H35(0.1078) H34(0.0654) H67A(0.1662) H67B(0.2036)
 H67C(0.1874) H427(0.1093) H303(0.4847) H403(0.3736) H12D(0.3491) H12E(0.307)
 H12F(0.3063) H11A(0.1743) H11B(0.2082) H11C(0.2117) H302(0.4336) H45A(-0.01)
 H45B(0.0228) H45C(0.0114) H455(0.3924) H10D(0.5275) H10E(0.4747) H10F(0.5)
 H437(0.4279) H26(0.2016) H46A(0.2953) H46B(0.2904) H46C(0.3256) H74A(0.5072)
 H74B(0.5255) H74C(0.5338) H459(0.3047) H448(0.0977) H288(0.2912) H11(0.4197)
 H9(0.4894) H66(0.0904) H65(0.0367) H64(0.0579) H62(0.1865) H450(0.1532)
 H10G(0.5169) H10H(0.4822) H10I(0.5337) H434(0.2945) H35A(0.1068) H35B(0.0611)
 H35C(0.0782) H286(0.1585) H36D(0.5984) H36E(0.5466) H36F(0.5634) H138(-0.0147)
 H139(0.0303) H155(0.3421) H153(0.2096) H48D(0.2697) H48E(0.2987) H48F(0.2674)
 H10J(0.0646) H10K(0.0396) H10L(0.0216) H438(0.4276) H184(0.0104) H182(0.0678)
 H24A(0.4769) H24B(0.4593) H24C(0.453) H19A(0.3313) H19B(0.3731) H19C(0.3247)
 H20A(-0.0077) H20B(-0.0287) H20C(-0.0062) H21A(0.295) H21B(0.3027)
 H21C(0.2731) H457(0.4317) H24D(0.41) H24E(0.3724) H24F(0.4229) H33A(0.1411)
 H33B(0.1893) H33C(0.1757) H24G(0.4349) H24H(0.3829) H24I(0.4013) H36G(0.0484)
 H36H(-0.0016) H36I(0.0379) H10M(0.0632) H10N(0.1126) H10O(0.1001) H32A(0.339)
 H32B(0.301) H32C(0.3511) H32D(0.5274) H32E(0.4993) H32F(0.5175) H11D(0.2184)
 H11E(0.2418) H11F(0.1916) H10P(0.0509) H10Q(0.0665) H10R(0.0216) H35D(0.0554)
 H35E(0.0991) H35F(0.0771) H35G(0.1515) H35H(0.1418) H35I(0.1043) H43A(0.3342)
 H43B(0.3609) H43C(0.387) H19D(0.1683) H19E(0.182) H19F(0.1319) H35J(0.1965)
 H35K(0.1898) H35L(0.1565) H36J(0.0324) H36K(0.012) H36L(-0.0182) H23A(0.4716)
 H23B(0.4792) H23C(0.5183) H142(0.0997) H144(0.2327) H35M(0.6019) H35N(0.566)
 H35O(0.5725) H36M(0.6306) H36N(0.5914) H36O(0.6015) H35P(0.5224) H35Q(0.5713)
 H35R(0.5298) H12G(0.312) H12H(0.3167) H12I(0.3543) H23D(-0.0637) H23E(-0.0819)
 H23F(-0.1154) H49A(0.4055) H49B(0.3851) H49C(0.4211) H23G(0.2932) H23H(0.2993)
 H23I(0.3373) H259(0.4545) H277(0.1063) H48G(0.3796) H48H(0.3708) H48I(0.3401)
 H11G(0.5916) H11H(0.6107) H11I(0.5658) H23J(-0.1206) H23K(-0.0769) H23L(-
 0.0743) H44A(0.1362) H44B(0.1053) H44C(0.1541) H23M(0.2331) H23N(0.2434)
 H23O(0.216) H23P(-0.1046) H23Q(-0.1211) H23R(-0.1427) H49D(0.396) H49E(0.4029)
 H49F(0.3588) H24J(0.3423) H24K(0.3155) H24L(0.2995) H37A(0.2944) H37B(0.3383)
 H37C(0.3031) H11J(0.3023) H11K(0.2869) H11L(0.2774) H23S(0.4585) H23T(0.4392)
 H23U(0.4911) H23V(0.5077) H23W(0.4935) H23X(0.5325) H47D(-0.1451) H47E(-0.112)
 H47F(-0.1078) H12J(0.5682) H12K(0.6118) H12L(0.5742) H88A(0.1482) H88B(0.1166)
 H88C(0.1681) H37D(0.2302) H37E(0.2156) H37F(0.223) H36P(0.2657) H36Q(0.2625)
 H36R(0.2859) H35S(0.1795) H35T(0.1758) H35U(0.2192) H37G(0.3316) H37H(0.2832)
 H37I(0.299) H81A(0.2781) H81B(0.3308) H81C(0.3053) H35V(0.5426) H35W(0.5405)
 H35X(0.5851) H24M(0.0001) H24N(-0.0451) H24O(0.0012) H49G(-0.0618) H49H(-
 0.1004) H49I(-0.0591) H49J(-0.0395) H49K(-0.0375) H49L(-0.0836) H24P(-0.0517)
 H24Q(-0.0783) H24R(-0.0432) H31(0.0348) H29(0.0862) H49M(-0.0483) H49N(-
 0.0693) H49O(-0.0956) H24S(-0.0144) H24T(-0.0587) H24U(-0.0145) H135(-0.0497)
 H133(-0.0018) H48J(-0.1077) H48K(-0.0721) H48L(-0.121) H430(0.0327) H432(-
 0.006) H49P(0.3199) H49Q(0.3129) H49R(0.3564) H36S(-0.0051) H36T(-0.0392)
 H36U(-0.0221) H11M(0.554) H11N(0.5937) H11O(0.5441) H48M(0.5102) H48N(0.5249)
 H48O(0.4988) H48P(0.443) H48Q(0.4782) H48R(0.427) H48S(0.4419) H48T(0.4591)
 H48U(0.4934) H47G(0.1811) H47H(0.1555) H47I(0.131) H47J(0.2328) H47K(0.218)
 H47L(0.2414) H47M(0.1135) H47N(0.153) H47O(0.1434)
 Fixed Z: H395(-0.5431) H418(-0.6172) H254(-0.1919) H294(-0.3742) H6(0.3013)
 H398(-0.5806) H251(-0.2052) H127(-0.0304) H170(-0.122) H274(-0.3107) H167(-
 0.1336) H271(-0.3038) H415(-0.6258) H3(0.2922) H378(-0.5361) H15(0.2962)
 H14(0.3026) H283(-0.3469) H282(-0.3556) H147(-0.0562) H43(0.1688) H23(0.2069)
 H175(-0.0686) H173(-0.0788) H164(0.0116) H162(-0.0051) H375(-0.5278) H328(-
 0.285) H150(-0.091) H71(0.2674) H69(0.3132) H73(0.2629) H130(-0.0408)
 H10A(0.3671) H10B(0.3242) H10C(0.3418) H87(0.0941) H85(0.051) H84(0.0301)
 H83(0.0412) H20(0.2705) H18(0.2822) H308(-0.2528) H306(-0.2872) H263(-0.1879)
 H262(-0.1771) H31A(-0.2371) H31B(-0.2366) H31C(-0.1952) H324(-0.3058) H426(-
 0.6082) H46(0.136) H179(-0.1001) H178(-0.0872) H326(-0.2902) H60(0.2237)
 H58(0.2039) H55(0.1761) H54(0.1507) H392(-0.545) H390(-0.5825) H159(-0.0376)
 H158(-0.0669) H387(-0.5785) H386(-0.5776) H279(-0.3639) H202(-0.1295) H200(-
 0.1641) H204(-0.1705) H36A(-0.2551) H36B(-0.2446) H36C(-0.2882) H319(-0.2325)
 H317(-0.1888) H321(-0.2543) H407(-0.532) H406(-0.559) H12A(0.0623)
 H12B(0.0716) H12C(0.1079) H78(0.1963) H76(0.1892) H80(0.2034) H211(-0.156)
 H209(-0.1074) H208(-0.1263) H207(-0.16) H186(0.0215) H190(0.0693) H189(0.0528)
 H188(0.0207) H456(-0.6192) H412(-0.5002) H410(-0.5115) H445(-0.5149) H443(-
 0.5233) H441(-0.5228) H268(-0.2239) H266(-0.2035) H401(-0.6399) H421(-0.5878)
 H423(-0.5866) H257(-0.1564) H47A(-0.5263) H47B(-0.5016) H47C(-0.4983) H195(-
 0.0347) H193(-0.0243) H197(-0.0103) H299(-0.3969) H297(-0.4323) H314(-0.2494)
 H313(-0.2546) H312(-0.2432) H310(-0.2214) H452(-0.6604) H40(0.2381)
 H38(0.1943) H48A(-0.5693) H48B(-0.5915) H48C(-0.5686) H291(-0.3309) H383(-
 0.5647) H381(-0.5392) H49(0.087) H51(0.1241) H436(-0.4844) H332(-0.4607) H331(-
 0.4489) H335(-0.4123) H333(-0.4483) H35(0.1659) H34(0.1521) H67A(0.2682)
 H67B(0.2708) H67C(0.3116) H427(-0.6128) H303(-0.3323) H403(-0.5951)
 H12D(0.0599) H12E(0.0397) H12F(0.0335) H11A(0.2015) H11B(0.1708) H11C(0.2052)
 H302(-0.356) H45A(-0.686) H45B(-0.7036) H45C(-0.6593) H455(-0.6459)
 H10D(0.3405) H10E(0.3283) H10F(0.3694) H437(-0.4506) H26(0.1908) H46A(-0.6459)
 H46B(-0.6905) H46C(-0.6768) H74A(0.3069) H74B(0.2733) H74C(0.3202) H459(-
 0.6455) H448(-0.6545) H288(-0.2792) H11(0.3102) H9(0.3178) H66(0.2663)
 H65(0.2572) H64(0.2604) H62(0.282) H450(-0.6196) H10G(0.2592) H10H(0.2553)
 H10I(0.2714) H434(-0.4757) H35A(-0.1566) H35B(-0.1852) H35C(-0.1868) H286(-
 0.3205) H36D(-0.1806) H36E(-0.1905) H36F(-0.182) H138(-0.0848) H139(-0.0778)
 H155(-0.1067) H153(-0.1459) H48D(-0.6708) H48E(-0.6554) H48F(-0.6273)
 H10J(0.2054) H10K(0.226) H10L(0.2233) H438(-0.4389) H184(-0.1341) H182(-
 0.1104) H24A(-0.0441) H24B(-0.0343) H24C(-0.081) H19A(0.0809) H19B(0.0613)
 H19C(0.033) H20A(-0.1678) H20B(-0.1839) H20C(-0.2134) H21A(-0.2103) H21B(-
 0.1724) H21C(-0.1713) H457(-0.6038) H24D(-0.0986) H24E(-0.0739) H24F(-0.0552)
 H33A(-0.4216) H33B(-0.4014) H33C(-0.4503) H24G(0.0114) H24H(-0.0004)
 H24I(0.0069) H36G(-0.3823) H36H(-0.3761) H36I(-0.3373) H10M(0.2705)
 H10N(0.2934) H10O(0.2442) H32A(-0.3242) H32B(-0.2989) H32C(-0.2751) H32D(-
 0.1938) H32E(-0.2143) H32F(-0.2428) H11D(0.2762) H11E(0.2895) H11F(0.2651)
 H10P(0.3107) H10Q(0.3295) H10R(0.296) H35D(-0.2635) H35E(-0.2823) H35F(-
 0.2669) H35G(-0.1863) H35H(-0.2351) H35I(-0.2094) H43A(-0.4572) H43B(-0.413)
 H43C(-0.4479) H19D(0.0223) H19E(-0.0197) H19F(-0.0194) H35J(-0.3505) H35K(-
 0.3187) H35L(-0.3266) H36J(-0.4353) H36K(-0.4256) H36L(-0.4311) H23A(0.0919)
 H23B(0.0699) H23C(0.08) H142(-0.0631) H144(-0.0254) H35M(-0.1483) H35N(-
 0.1697) H35O(-0.1929) H36M(-0.2296) H36N(-0.2325) H36O(-0.2736) H35P(-0.1354)
 H35Q(-0.1437) H35R(-0.1812) H12G(0.1539) H12H(0.1223) H12I(0.1328) H23D(-
 0.1103) H23E(-0.1415) H23F(-0.121) H49A(-0.5978) H49B(-0.6128) H49C(-0.571)
 H23G(-0.0755) H23H(-0.1035) H23I(-0.0935) H259(-0.1672) H277(-0.3383) H48G(-
 0.6478) H48H(-0.6568) H48I(-0.6839) H11G(0.2522) H11H(0.2791) H11I(0.2856)
 H23J(-0.0472) H23K(-0.018) H23L(-0.0457) H44A(-0.5398) H44B(-0.5102) H44C(-
 0.4911) H23M(-0.1869) H23N(-0.1519) H23O(-0.1447) H23P(-0.1137) H23Q(-0.071)
 H23R(-0.1091) H49D(-0.5184) H49E(-0.5091) H49F(-0.5022) H24J(-0.1593) H24K(-
 0.179) H24L(-0.195) H37A(-0.4904) H37B(-0.4582) H37C(-0.4765) H11J(0.2305)
 H11K(0.2657) H11L(0.2191) H23S(0.0087) H23T(0.0492) H23U(0.0527) H23V(-0.0071)
 H23W(-0.0246) H23X(0.0147) H47D(-0.5595) H47E(-0.5786) H47F(-0.5297)
 H12J(0.1753) H12K(0.2038) H12L(0.1807) H88A(0.046) H88B(0.0787) H88C(0.0941)
 H37D(-0.4532) H37E(-0.4282) H37F(-0.4742) H36P(-0.2521) H36Q(-0.3001) H36R(-
 0.2798) H35S(-0.2474) H35T(-0.2542) H35U(-0.2263) H37G(-0.3862) H37H(-0.3767)
 H37I(-0.4111) H81A(0.204) H81B(0.2147) H81C(0.1677) H35V(-0.0831) H35W(-
 0.0918) H35X(-0.0921) H24M(-0.1344) H24N(-0.1179) H24O(-0.0861) H49G(-0.5906)
 H49H(-0.6289) H49I(-0.6159) H49J(-0.6134) H49K(-0.6607) H49L(-0.648) H24P(-
 0.1566) H24Q(-0.1502) H24R(-0.1797) H31(0.1489) H29(0.1606) H49M(-0.7111)
 H49N(-0.6942) H49O(-0.6984) H24S(-0.0545) H24T(-0.0821) H24U(-0.0733) H135(-
 0.0854) H133(-0.0594) H48J(-0.5891) H48K(-0.6088) H48L(-0.6127) H430(-0.631)
 H432(-0.6448) H49P(-0.5917) H49Q(-0.546) H49R(-0.5528) H36S(-0.3259) H36T(-
 0.3632) H36U(-0.3672) H11M(0.2764) H11N(0.2528) H11O(0.2305) H48M(-0.4955)
 H48N(-0.4681) H48O(-0.4506) H48P(-0.4399) H48Q(-0.4573) H48R(-0.4785) H48S(-
 0.5581) H48T(-0.5337) H48U(-0.5396) H47G(-0.6401) H47H(-0.634) H47I(-0.6342)
 H47J(-0.5388) H47K(-0.5764) H47L(-0.5835) H47M(-0.5755) H47N(-0.5572) H47O(-
 0.531)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
I6 I 0.66849(6) 0.22045(4) -0.12588(4) 0.0724(4) Uani 1 1 d . . . . .
I14 I 0.71935(6) 0.21891(4) -0.61809(4) 0.0717(4) Uani 1 1 d . . . . .
I13 I 0.63289(6) 0.20918(4) -0.51562(4) 0.0737(4) Uani 1 1 d . . . . .
I9 I 0.72288(6) 0.28101(4) -0.22990(4) 0.0766(5) Uani 1 1 d . . . . .
I1 I 0.78047(6) 0.27422(4) 0.27022(4) 0.0753(4) Uani 1 1 d . . . . .
I8 I 0.63555(7) 0.53899(4) -0.09843(4) 0.0978(5) Uani 1 1 d . . . . .
I16 I 0.58246(7) -0.05996(4) -0.72519(4) 0.0971(5) Uani 1 1 d . . . . .
I7 I 0.55429(7) -0.07989(4) -0.23668(4) 0.0964(5) Uani 1 1 d . . . . .
I2 I 0.73467(7) 0.27336(4) 0.13085(4) 0.0910(5) Uani 1 1 d . . . . .
I5 I 0.60424(7) 0.20604(4) -0.01685(4) 0.0906(5) Uani 1 1 d . . . . .
I3 I 0.48594(7) 0.41379(4) 0.30815(5) 0.1060(6) Uani 1 1 d . . . . .
I10 I 0.69460(7) 0.28549(4) -0.36355(4) 0.1023(6) Uani 1 1 d . . . . .
I11 I 0.40166(7) 0.40717(4) -0.21557(5) 0.1046(6) Uani 1 1 d . . . . .
N395 N 0.7077(6) 0.3175(4) -0.5401(4) 0.066(4) Uani 1 1 d . U . . .
H395 H 0.7078 0.2886 -0.5431 0.080 Uiso 1 1 calc R U . . .
N418 N 0.8874(6) 0.2402(4) -0.6135(4) 0.066(4) Uani 1 1 d . U . . .
H418 H 0.8481 0.2437 -0.6172 0.079 Uiso 1 1 calc R U . . .
C325 C 0.8748(9) 0.2699(6) -0.3004(5) 0.052(5) Uani 1 1 d . U . . .
N254 N 0.8703(6) 0.3633(4) -0.1887(3) 0.061(4) Uani 1 1 d . U . . .
H254 H 0.8328 0.3521 -0.1919 0.073 Uiso 1 1 calc R U . . .
N294 N 0.5466(7) 0.3214(5) -0.3743(4) 0.078(5) Uani 1 1 d . U . . .
H294 H 0.5785 0.3056 -0.3742 0.094 Uiso 1 1 calc R U . . .
N6 N 0.9335(7) 0.3399(4) 0.3015(4) 0.071(5) Uani 1 1 d . U . . .
H6 H 0.8953 0.3325 0.3013 0.085 Uiso 1 1 calc R U . . .
N398 N 0.5703(7) 0.2856(4) -0.5796(4) 0.067(4) Uani 1 1 d . U . . .
H398 H 0.5894 0.2612 -0.5806 0.081 Uiso 1 1 calc R U . . .
N323 N 0.9578(8) 0.3222(6) -0.2939(5) 0.088(5) Uani 1 1 d . U . . .
N447 N 0.5055(8) 0.0543(5) -0.6593(4) 0.073(5) Uiso 1 1 d . . . . .
N251 N 0.8810(7) 0.2572(4) -0.2043(4) 0.080(5) Uani 1 1 d . U . . .
H251 H 0.8417 0.2588 -0.2052 0.096 Uiso 1 1 calc R U . . .
N127 N 0.4525(7) 0.1527(5) -0.0382(4) 0.081(5) Uani 1 1 d . U . . .
H127 H 0.4850 0.1713 -0.0304 0.097 Uiso 1 1 calc R U . . .
N170 N 0.8282(6) 0.2615(4) -0.1141(3) 0.063(4) Uani 1 1 d . U . . .
H170 H 0.7883 0.2596 -0.1220 0.076 Uiso 1 1 calc R U . . .
N274 N 0.6969(6) 0.1802(4) -0.3199(3) 0.058(4) Uani 1 1 d . U . . .
H274 H 0.7099 0.2081 -0.3107 0.069 Uiso 1 1 calc R U . . .
N167 N 0.7967(7) 0.1564(4) -0.1285(4) 0.079(5) Uani 1 1 d . U . . .
H167 H 0.7605 0.1668 -0.1336 0.095 Uiso 1 1 calc R U . . .
N271 N 0.5773(7) 0.2289(4) -0.3096(4) 0.069(5) Uani 1 1 d . U . . .
H271 H 0.6051 0.2511 -0.3038 0.083 Uiso 1 1 calc R U . . .
C399 C 0.5082(9) 0.2873(6) -0.5934(5) 0.055(5) Uani 1 1 d . U . . .
N415 N 0.8302(7) 0.1393(4) -0.6252(4) 0.074(5) Uani 1 1 d . U . . .
H415 H 0.7978 0.1547 -0.6258 0.089 Uiso 1 1 calc R U . . .
C417 C 0.9137(10) 0.1993(7) -0.6139(5) 0.077(6) Uani 1 1 d . U . . .
N3 N 0.9309(6) 0.2358(4) 0.2916(3) 0.056(4) Uani 1 1 d . U . . .
H3 H 0.8928 0.2409 0.2922 0.067 Uiso 1 1 calc R U . . .
N378 N 0.5875(6) 0.0926(4) -0.5423(4) 0.061(4) Uani 1 1 d . U . . .
H378 H 0.6064 0.1191 -0.5361 0.073 Uiso 1 1 calc R U . . .
C13 C 1.0346(7) 0.3359(3) 0.3013(3) 0.065(6) Uani 1 1 d G U . . .
C5 C 0.9805(5) 0.3112(5) 0.2982(3) 0.073(6) Uani 1 1 d G U . . .
C4 C 0.9800(5) 0.2656(5) 0.2944(3) 0.081(6) Uani 1 1 d G U . . .
C16 C 1.0338(7) 0.2448(3) 0.2937(3) 0.075(6) Uani 1 1 d G U . . .
C15 C 1.0880(5) 0.2694(4) 0.2967(3) 0.085(6) Uani 1 1 d G U . . .
H15 H 1.1247 0.2552 0.2962 0.102 Uiso 1 1 calc R U . . .
C14 C 1.0884(5) 0.3150(4) 0.3005(3) 0.073(6) Uani 1 1 d G U . . .
H14 H 1.1254 0.3318 0.3026 0.088 Uiso 1 1 calc R U . . .
N454 N 0.6546(9) 0.3446(6) -0.6505(5) 0.087(5) Uani 1 1 d . U . . .
C273 C 0.6381(5) 0.1623(4) -0.3273(3) 0.056(5) Uani 1 1 d G U . . .
C272 C 0.5861(7) 0.1840(3) -0.3222(3) 0.049(5) Uani 1 1 d G U . . .
C284 C 0.5302(5) 0.1601(4) -0.3295(3) 0.072(6) Uani 1 1 d G U . . .
C283 C 0.5263(5) 0.1145(4) -0.3419(3) 0.065(5) Uani 1 1 d G U . . .
H283 H 0.4881 0.0981 -0.3469 0.078 Uiso 1 1 calc R U . . .
C282 C 0.5782(6) 0.0927(3) -0.3471(3) 0.063(5) Uani 1 1 d G U . . .
H282 H 0.5755 0.0615 -0.3556 0.075 Uiso 1 1 calc R U . . .
C281 C 0.6341(5) 0.1166(4) -0.3398(3) 0.056(5) Uani 1 1 d G U . . .
N147 N 0.6457(4) 0.3154(3) -0.0497(3) 0.067(4) Uani 1 1 d D U . . .
H147 H 0.6518 0.2872 -0.0562 0.081 Uiso 1 1 calc R U . . .
N43 N 0.7070(7) 0.3826(5) 0.1728(4) 0.090(5) Uani 1 1 d . U . . .
H43 H 0.7202 0.3560 0.1688 0.108 Uiso 1 1 calc R U . . .
N23 N 0.6269(7) 0.2326(4) 0.2004(4) 0.074(5) Uani 1 1 d . U . . .
H23 H 0.6579 0.2525 0.2069 0.088 Uiso 1 1 calc R U . . .
C171 C 0.8659(6) 0.2999(4) -0.1018(3) 0.058(5) Uani 1 1 d G U . . .
C176 C 0.9272(7) 0.2927(3) -0.0911(3) 0.094(7) Uani 1 1 d G U . . .
C175 C 0.9702(4) 0.3284(5) -0.0759(3) 0.095(7) Uani 1 1 d G U . . .
H175 H 1.0121 0.3235 -0.0686 0.115 Uiso 1 1 calc R U . . .
C174 C 0.9518(6) 0.3712(4) -0.0713(3) 0.071(6) Uani 1 1 d G U . . .
C173 C 0.8904(7) 0.3784(3) -0.0819(3) 0.080(6) Uani 1 1 d G U . . .
H173 H 0.8778 0.4076 -0.0788 0.096 Uiso 1 1 calc R U . . .
C172 C 0.8475(4) 0.3427(5) -0.0972(3) 0.065(6) Uani 1 1 d DG U . . .
C146 C 0.6898(5) 0.3489(3) -0.0305(3) 0.061(5) Uani 1 1 d DG U . . .
C145 C 0.7520(5) 0.3474(3) -0.0164(3) 0.049(5) Uani 1 1 d DG U . . .
C164 C 0.7879(4) 0.3862(4) 0.0019(3) 0.071(6) Uani 1 1 d G U . . .
H164 H 0.8304 0.3852 0.0116 0.086 Uiso 1 1 calc R U . . .
C163 C 0.7616(6) 0.4264(3) 0.0061(3) 0.082(6) Uani 1 1 d DG U . . .
C162 C 0.6994(6) 0.4279(3) -0.0080(3) 0.074(6) Uani 1 1 d G U . . .
H162 H 0.6814 0.4554 -0.0051 0.089 Uiso 1 1 calc R U . . .
C161 C 0.6635(4) 0.3891(4) -0.0263(3) 0.048(5) Uani 1 1 d G U . . .
C416 C 0.8876(10) 0.1566(7) -0.6208(5) 0.073(6) Uani 1 1 d . U . . .
N375 N 0.4803(7) 0.1583(4) -0.5377(4) 0.071(5) Uani 1 1 d . U . . .
H375 H 0.5127 0.1769 -0.5278 0.085 Uiso 1 1 calc R U . . .
C339 C 0.7900(11) 0.4409(6) -0.1813(5) 0.062(6) Uani 1 1 d . U . . .
C276 C 0.7941(10) 0.1465(6) -0.3295(5) 0.063(6) Uani 1 1 d . U . . .
C328 C 0.9190(9) 0.3572(6) -0.2889(5) 0.064(6) Uani 1 1 d . U . . .
H328 H 0.9355 0.3868 -0.2850 0.077 Uiso 1 1 calc R U . . .
C347 C 0.4996(6) 0.2264(4) -0.4128(5) 0.062(5) Uani 1 1 d D U . . .
C218 C 0.7786(7) 0.3060(4) -0.0171(5) 0.060(5) Uani 1 1 d D U . . .
C92 C 0.8176(4) 0.4297(5) 0.3024(5) 0.058(5) Uani 1 1 d D U . . .
C468 C 0.4989(8) 0.1767(6) -0.6283(5) 0.055(5) Uani 1 1 d . U . . .
N150 N 0.5154(4) 0.2697(3) -0.0899(3) 0.069(5) Uani 1 1 d D U . . .
H150 H 0.5395 0.2479 -0.0910 0.083 Uiso 1 1 calc R U . . .
C93 C 0.6152(6) 0.3530(4) 0.2452(4) 0.058(5) Uani 1 1 d D U . . .
C72 C 0.6542(5) 0.3923(3) 0.2621(3) 0.054(4) Uani 1 1 d DG U . . .
C71 C 0.7171(5) 0.3915(3) 0.2730(3) 0.068(4) Uani 1 1 d G U . . .
H71 H 0.7357 0.3645 0.2674 0.081 Uiso 1 1 calc R U . . .
C70 C 0.7528(3) 0.4302(4) 0.2920(3) 0.059(4) Uani 1 1 d DG U . . .
C69 C 0.7255(5) 0.4697(3) 0.3002(3) 0.071(4) Uani 1 1 d G U . . .
H69 H 0.7499 0.4961 0.3132 0.086 Uiso 1 1 calc R U . . .
N68 N 0.6626(5) 0.4705(3) 0.2893(3) 0.056(3) Uani 1 1 d G U . . .
C73 C 0.6270(3) 0.4318(4) 0.2703(3) 0.053(4) Uani 1 1 d G U . . .
H73 H 0.5840 0.4324 0.2629 0.064 Uiso 1 1 calc R U . . .
N130 N 0.5620(7) 0.0919(5) -0.0487(4) 0.094(5) Uani 1 1 d . U . . .
H130 H 0.5797 0.1189 -0.0408 0.113 Uiso 1 1 calc R U . . .
C90 C 0.8633(4) 0.1470(5) 0.2782(5) 0.062(6) Uani 1 1 d D U . . .
C107 C 1.0452(7) 0.5442(4) 0.3395(4) 0.074(6) Uani 1 1 d D U . . .
H10A H 1.0430 0.5395 0.3671 0.111 Uiso 1 1 calc R U . . .
H10B H 1.0042 0.5472 0.3242 0.111 Uiso 1 1 calc R U . . .
H10C H 1.0710 0.5711 0.3418 0.111 Uiso 1 1 calc R U . . .
N82 N 0.6845(4) 0.1337(5) 0.0687(3) 0.093(6) Uani 1 1 d G U . . .
C87 C 0.6474(7) 0.1665(3) 0.0811(3) 0.078(6) Uani 1 1 d G U . . .
H87 H 0.6649 0.1953 0.0941 0.094 Uiso 1 1 calc R U . . .
C86 C 0.5849(6) 0.1572(4) 0.0745(3) 0.093(7) Uani 1 1 d DG U . . .
C85 C 0.5594(4) 0.1150(5) 0.0555(3) 0.089(7) Uani 1 1 d G U . . .
H85 H 0.5166 0.1087 0.0510 0.107 Uiso 1 1 calc R U . . .
C84 C 0.5964(7) 0.0822(3) 0.0431(3) 0.086(6) Uani 1 1 d G U . . .
H84 H 0.5790 0.0534 0.0301 0.103 Uiso 1 1 calc R U . . .
C83 C 0.6590(6) 0.0915(4) 0.0497(3) 0.087(7) Uani 1 1 d G U . . .
H83 H 0.6843 0.0691 0.0412 0.105 Uiso 1 1 calc R U . . .
C2 C 0.9580(6) 0.1952(3) 0.2875(3) 0.057(5) Uani 1 1 d G U . . .
C1 C 0.9274(4) 0.1538(5) 0.2810(3) 0.061(5) Uani 1 1 d DG U . . .
C20 C 0.9589(6) 0.1160(3) 0.2750(3) 0.070(6) Uani 1 1 d G U . . .
H20 H 0.9380 0.0877 0.2705 0.084 Uiso 1 1 calc R U . . .
C19 C 1.0209(6) 0.1195(3) 0.2754(3) 0.080(6) Uani 1 1 d G U . . .
C18 C 1.0514(4) 0.1608(5) 0.2819(3) 0.086(6) Uani 1 1 d G U . . .
H18 H 1.0938 0.1632 0.2822 0.103 Uiso 1 1 calc R U . . .
C17 C 1.0200(6) 0.1987(3) 0.2880(3) 0.063(5) Uani 1 1 d G U . . .
C260 C 0.9481(9) 0.4100(6) -0.1758(5) 0.058(5) Uani 1 1 d . U . . .
C289 C 0.7434(5) 0.4457(4) -0.2866(3) 0.054(5) Uani 1 1 d DG U . . .
C308 C 0.7603(4) 0.4892(4) -0.2666(3) 0.081(6) Uani 1 1 d G U . . .
H308 H 0.8013 0.4975 -0.2528 0.097 Uiso 1 1 calc R U . . .
C307 C 0.7173(6) 0.5204(3) -0.2668(3) 0.079(6) Uani 1 1 d G U . . .
C306 C 0.6573(6) 0.5082(4) -0.2870(3) 0.063(5) Uani 1 1 d G U . . .
H306 H 0.6278 0.5296 -0.2872 0.076 Uiso 1 1 calc R U . . .
C305 C 0.6403(4) 0.4648(4) -0.3070(3) 0.063(5) Uani 1 1 d G U . . .
C290 C 0.6834(6) 0.4335(3) -0.3068(3) 0.058(5) Uani 1 1 d DG U . . .
C252 C 0.9262(5) 0.2933(3) -0.1972(3) 0.067(6) Uani 1 1 d G U . . .
C264 C 0.9831(6) 0.2767(3) -0.1961(3) 0.076(6) Uani 1 1 d G U . . .
C263 C 1.0348(5) 0.3054(5) -0.1886(3) 0.082(6) Uani 1 1 d G U . . .
H263 H 1.0737 0.2941 -0.1879 0.098 Uiso 1 1 calc R U . . .
C262 C 1.0295(5) 0.3507(4) -0.1822(3) 0.096(7) Uani 1 1 d G U . . .
H262 H 1.0648 0.3704 -0.1771 0.115 Uiso 1 1 calc R U . . .
C261 C 0.9726(6) 0.3673(3) -0.1833(3) 0.058(5) Uani 1 1 d G U . . .
C253 C 0.9209(5) 0.3386(4) -0.1908(3) 0.052(5) Uani 1 1 d DG U . . .
C327 C 0.8603(9) 0.3498(6) -0.2895(5) 0.076(6) Uani 1 1 d D U . . .
C315 C 0.5573(8) 0.1709(6) -0.2252(5) 0.101(7) Uani 1 1 d . U . . .
H31A H 0.5174 0.1550 -0.2371 0.151 Uiso 1 1 calc R U . . .
H31B H 0.5604 0.1975 -0.2366 0.151 Uiso 1 1 calc R U . . .
H31C H 0.5620 0.1792 -0.1952 0.151 Uiso 1 1 calc R U . . .
C344 C 0.8497(8) 0.2246(6) -0.3095(5) 0.062(5) Uani 1 1 d . U . . .
C324 C 0.9335(9) 0.2788(6) -0.3008(5) 0.069(6) Uani 1 1 d . U . . .
H324 H 0.9588 0.2552 -0.3058 0.082 Uiso 1 1 calc R U . . .
C404 C 0.4976(9) 0.3331(6) -0.5867(5) 0.060(5) Uani 1 1 d . U . . .
C425 C 0.9763(10) 0.2088(6) -0.6079(5) 0.078(6) Uani 1 1 d . U . . .
C223 C 0.7855(4) 0.3530(6) -0.1082(5) 0.074(6) Uani 1 1 d D U . . .
C461 C 0.4656(8) 0.2837(5) -0.5042(5) 0.078(6) Uani 1 1 d D U . . .
C426 C 1.0170(9) 0.1737(6) -0.6099(5) 0.080(6) Uani 1 1 d . U . . .
H426 H 1.0593 0.1795 -0.6082 0.096 Uiso 1 1 calc R U . . .
N46 N 0.5888(7) 0.3172(4) 0.1366(4) 0.077(5) Uani 1 1 d . U . . .
H46 H 0.6181 0.2991 0.1360 0.092 Uiso 1 1 calc R U . . .
C304 C 0.5816(9) 0.4426(6) -0.3270(5) 0.068(6) Uani 1 1 d . U . . .
C340 C 0.7396(10) 0.4353(6) -0.1909(5) 0.071(6) Uani 1 1 d . U . . .
C337 C 0.7719(4) 0.1527(5) -0.2262(5) 0.063(6) Uani 1 1 d D U . . .
C168 C 0.8543(5) 0.1803(5) -0.1194(3) 0.070(6) Uani 1 1 d G U . . .
C180 C 0.9026(7) 0.1534(3) -0.1151(3) 0.075(6) Uani 1 1 d G U . . .
C179 C 0.9621(6) 0.1721(4) -0.1031(3) 0.079(6) Uani 1 1 d G U . . .
H179 H 0.9951 0.1538 -0.1001 0.095 Uiso 1 1 calc R U . . .
C178 C 0.9732(5) 0.2177(5) -0.0954(3) 0.097(7) Uani 1 1 d G U . . .
H178 H 1.0139 0.2305 -0.0872 0.117 Uiso 1 1 calc R U . . .
C177 C 0.9249(7) 0.2446(3) -0.0997(3) 0.084(7) Uani 1 1 d G U . . .
C169 C 0.8654(6) 0.2259(4) -0.1117(3) 0.063(5) Uani 1 1 d G U . . .
C326 C 0.8387(8) 0.3051(5) -0.2930(4) 0.058(5) Uani 1 1 d . U . . .
H326 H 0.7982 0.2991 -0.2902 0.070 Uiso 1 1 calc R U . . .
C462 C 0.4328(6) 0.2482(3) -0.5212(4) 0.053(5) Uani 1 1 d D U . . .
C285 C 0.4878(9) 0.1895(6) -0.3185(5) 0.056(5) Uani 1 1 d . U . . .
C270 C 0.5157(9) 0.2313(7) -0.3083(5) 0.065(6) Uani 1 1 d . U . . .
C95 C 0.8690(7) 0.1723(4) 0.1816(5) 0.070(6) Uani 1 1 d D U . . .
C449 C 0.5234(10) 0.1337(7) -0.6365(5) 0.074(6) Uani 1 1 d . U . . .
C217 C 0.7986(8) 0.2698(3) -0.0210(5) 0.065(5) Uani 1 1 d D U . . .
C342 C 0.5214(9) 0.3124(7) -0.2795(5) 0.062(6) Uani 1 1 d . U . . .
C91 C 0.8703(4) 0.4263(5) 0.3084(5) 0.067(6) Uani 1 1 d D U . . .
C42 C 0.7429(6) 0.4217(3) 0.1875(3) 0.055(5) Uani 1 1 d G U . . .
C41 C 0.8054(6) 0.4317(4) 0.2005(3) 0.070(6) Uani 1 1 d DG U . . .
C60 C 0.8283(4) 0.4753(4) 0.2148(3) 0.076(6) Uani 1 1 d G U . . .
H60 H 0.8709 0.4821 0.2237 0.091 Uiso 1 1 calc R U . . .
C59 C 0.7888(6) 0.5090(3) 0.2161(3) 0.070(6) Uani 1 1 d DG U . . .
C58 C 0.7264(6) 0.4990(3) 0.2031(3) 0.079(6) Uani 1 1 d G U . . .
H58 H 0.6994 0.5220 0.2039 0.095 Uiso 1 1 calc R U . . .
C57 C 0.7034(4) 0.4554(4) 0.1888(3) 0.081(6) Uani 1 1 d G U . . .
C467 C 0.4791(8) 0.2106(6) -0.6219(5) 0.067(6) Uani 1 1 d . U . . .
C53 C 0.5383(5) 0.3797(4) 0.1448(3) 0.055(5) Uani 1 1 d G U . . .
C45 C 0.5957(6) 0.3634(3) 0.1502(3) 0.055(5) Uani 1 1 d G U . . .
C44 C 0.6473(5) 0.3923(4) 0.1654(3) 0.043(5) Uani 1 1 d G U . . .
C56 C 0.6415(5) 0.4375(4) 0.1750(3) 0.064(6) Uani 1 1 d G U . . .
C55 C 0.5841(6) 0.4538(3) 0.1695(3) 0.059(5) Uani 1 1 d G U . . .
H55 H 0.5802 0.4846 0.1761 0.071 Uiso 1 1 calc R U . . .
C54 C 0.5325(4) 0.4248(4) 0.1544(3) 0.068(6) Uani 1 1 d G U . . .
H54 H 0.4933 0.4359 0.1507 0.081 Uiso 1 1 calc R U . . .
C224 C 0.7331(4) 0.3592(6) -0.1193(5) 0.069(6) Uani 1 1 d D U . . .
C389 C 0.3818(6) 0.1299(3) -0.5608(3) 0.082(6) Uani 1 1 d G U . . .
C374 C 0.4205(3) 0.1678(5) -0.5444(3) 0.064(6) Uani 1 1 d G U . . .
C373 C 0.3967(5) 0.2089(3) -0.5385(3) 0.067(6) Uani 1 1 d DG U . . .
C392 C 0.3342(6) 0.2121(3) -0.5490(3) 0.098(7) Uani 1 1 d G U . . .
H392 H 0.3179 0.2402 -0.5450 0.117 Uiso 1 1 calc R U . . .
C391 C 0.2955(3) 0.1743(5) -0.5654(3) 0.097(7) Uani 1 1 d DG U . . .
C390 C 0.3193(5) 0.1332(4) -0.5713(3) 0.080(6) Uani 1 1 d G U . . .
H390 H 0.2929 0.1073 -0.5825 0.096 Uiso 1 1 calc R U . . .
C280 C 0.6936(9) 0.1055(7) -0.3414(5) 0.077(6) Uani 1 1 d . U . . .
C471 C 0.8673(10) 0.3384(6) -0.6081(5) 0.067(6) Uani 1 1 d . U . . .
C148 C 0.5903(5) 0.3337(4) -0.0572(3) 0.055(5) Uani 1 1 d DG U . . .
C160 C 0.5989(4) 0.3792(4) -0.0434(3) 0.058(5) Uani 1 1 d G U . . .
C159 C 0.5493(6) 0.4049(2) -0.0470(3) 0.063(5) Uani 1 1 d G U . . .
H159 H 0.5551 0.4360 -0.0376 0.075 Uiso 1 1 calc R U . . .
C158 C 0.4912(5) 0.3852(4) -0.0645(3) 0.059(5) Uani 1 1 d G U . . .
H158 H 0.4573 0.4028 -0.0669 0.070 Uiso 1 1 calc R U . . .
C157 C 0.4826(4) 0.3398(4) -0.0783(3) 0.075(6) Uani 1 1 d G U . . .
C149 C 0.5322(6) 0.3140(2) -0.0746(3) 0.066(6) Uani 1 1 d DG U . . .
N433 N 0.5926(8) 0.3601(6) -0.4571(4) 0.083(5) Uani 1 1 d . U . . .
C377 C 0.5260(4) 0.0836(4) -0.5498(3) 0.061(4) Uani 1 1 d G U . . .
C376 C 0.4786(7) 0.1113(3) -0.5503(3) 0.068(5) Uani 1 1 d G U . . .
C388 C 0.4186(5) 0.0936(4) -0.5610(3) 0.076(5) Uani 1 1 d G U . . .
C387 C 0.4060(4) 0.0481(4) -0.5712(3) 0.075(4) Uani 1 1 d G U . . .
H387 H 0.3650 0.0360 -0.5785 0.091 Uiso 1 1 calc R U . . .
C386 C 0.4534(6) 0.0203(3) -0.5707(3) 0.068(4) Uani 1 1 d G U . . .
H386 H 0.4449 -0.0108 -0.5776 0.081 Uiso 1 1 calc R U . . .
C385 C 0.5134(5) 0.0380(4) -0.5599(3) 0.074(4) Uani 1 1 d G U . . .
C279 C 0.7211(8) 0.0656(6) -0.3554(5) 0.061(5) Uani 1 1 d . U . . .
H279 H 0.6977 0.0381 -0.3639 0.073 Uiso 1 1 calc R U . . .
C343 C 0.8305(9) 0.1861(7) -0.3156(5) 0.072(6) Uani 1 1 d . U . . .
C269 C 0.4879(10) 0.2710(7) -0.2943(5) 0.075(6) Uani 1 1 d . U . . .
C203 C 0.5871(4) 0.0791(4) -0.1491(3) 0.066(6) Uani 1 1 d DG U . . .
C202 C 0.5582(5) 0.1176(3) -0.1397(3) 0.052(5) Uani 1 1 d G U . . .
H202 H 0.5815 0.1450 -0.1295 0.063 Uiso 1 1 calc R U . . .
C201 C 0.4951(5) 0.1160(3) -0.1453(3) 0.062(5) Uani 1 1 d DG U . . .
C200 C 0.4610(4) 0.0759(4) -0.1603(3) 0.074(6) Uani 1 1 d G U . . .
H200 H 0.4178 0.0748 -0.1641 0.088 Uiso 1 1 calc R U . . .
N199 N 0.4899(5) 0.0374(3) -0.1697(3) 0.082(5) Uani 1 1 d G U . . .
C204 C 0.5530(6) 0.0390(3) -0.1641(3) 0.067(6) Uani 1 1 d G U . . .
H204 H 0.5728 0.0127 -0.1705 0.080 Uiso 1 1 calc R U . . .
C368 C 0.7867(8) 0.5870(5) -0.2588(5) 0.100(7) Uani 1 1 d D U . . .
H36A H 0.8218 0.5691 -0.2551 0.150 Uiso 1 1 calc R U . . .
H36B H 0.7988 0.6176 -0.2446 0.150 Uiso 1 1 calc R U . . .
H36C H 0.7717 0.5861 -0.2882 0.150 Uiso 1 1 calc R U . . .
C221 C 0.6512(4) 0.0763(5) -0.1461(5) 0.050(5) Uani 1 1 d D U . . .
C319 C 0.6447(6) 0.3906(4) -0.2295(3) 0.081(6) Uani 1 1 d G U . . .
H319 H 0.6676 0.3653 -0.2325 0.097 Uiso 1 1 calc R U . . .
C318 C 0.6731(4) 0.4311(5) -0.2079(3) 0.068(6) Uani 1 1 d G U . . .
C317 C 0.6397(6) 0.4681(3) -0.2036(3) 0.069(6) Uani 1 1 d G . . . .
H317 H 0.6591 0.4958 -0.1888 0.083 Uiso 1 1 calc R U . . .
N316 N 0.5777(6) 0.4645(3) -0.2209(3) 0.073(5) Uani 1 1 d G U . . .
C321 C 0.5493(4) 0.4240(4) -0.2425(3) 0.074(6) Uani 1 1 d G U . . .
H321 H 0.5070 0.4216 -0.2543 0.089 Uiso 1 1 calc R U . . .
C320 C 0.5828(6) 0.3870(3) -0.2468(3) 0.073(6) Uani 1 1 d G U . . .
C397 C 0.5978(7) 0.3272(3) -0.5643(3) 0.052(5) Uani 1 1 d G U . . .
C396 C 0.6586(6) 0.3415(4) -0.5483(3) 0.055(5) Uani 1 1 d G U . . .
C408 C 0.6758(5) 0.3864(5) -0.5363(3) 0.077(6) Uani 1 1 d G U . . .
C407 C 0.6321(7) 0.4170(3) -0.5403(3) 0.086(7) Uani 1 1 d G U . . .
H407 H 0.6439 0.4477 -0.5320 0.104 Uiso 1 1 calc R U . . .
C406 C 0.5713(6) 0.4027(4) -0.5563(3) 0.064(5) Uani 1 1 d G U . . .
H406 H 0.5415 0.4237 -0.5590 0.076 Uiso 1 1 calc R U . . .
C405 C 0.5542(4) 0.3579(4) -0.5683(3) 0.071(6) Uani 1 1 d G U . . .
C485 C 0.3261(9) 0.3251(5) -0.6255(5) 0.093(7) Uani 1 1 d D U . . .
C365 C 0.7356(6) 0.5683(5) -0.2406(4) 0.060(5) Uani 1 1 d D U . . .
C123 C 0.2991(8) 0.2506(5) 0.0826(5) 0.085(6) Uani 1 1 d . U . . .
H12A H 0.3178 0.2320 0.0623 0.127 Uiso 1 1 calc R U . . .
H12B H 0.2554 0.2509 0.0716 0.127 Uiso 1 1 calc R U . . .
H12C H 0.3051 0.2387 0.1079 0.127 Uiso 1 1 calc R U . . .
C78 C 0.8882(4) 0.2871(4) 0.1963(3) 0.058(5) Uani 1 1 d G U . . .
H78 H 0.8462 0.2824 0.1963 0.070 Uiso 1 1 calc R U . . .
C77 C 0.9240(6) 0.2514(3) 0.1921(3) 0.069(6) Uani 1 1 d DG U . . .
C76 C 0.9855(5) 0.2583(3) 0.1921(3) 0.069(6) Uani 1 1 d G U . . .
H76 H 1.0100 0.2339 0.1892 0.083 Uiso 1 1 calc R U . . .
N75 N 1.0111(4) 0.3008(4) 0.1963(3) 0.072(5) Uani 1 1 d G U . . .
C80 C 0.9753(6) 0.3365(3) 0.2005(3) 0.081(6) Uani 1 1 d G U . . .
H80 H 0.9928 0.3656 0.2034 0.097 Uiso 1 1 calc R U . . .
C79 C 0.9138(5) 0.3297(3) 0.2005(3) 0.064(6) Uani 1 1 d DG U . . .
C470 C 0.7241(5) 0.0733(6) -0.6356(5) 0.073(6) Uani 1 1 d D U . . .
C211 C 0.6313(6) 0.3327(3) -0.1499(3) 0.063(5) Uani 1 1 d G U . . .
H211 H 0.6465 0.3044 -0.1560 0.076 Uiso 1 1 calc R U . . .
C210 C 0.6710(4) 0.3691(5) -0.1299(3) 0.072(6) Uani 1 1 d DG U . . .
C209 C 0.6487(6) 0.4105(4) -0.1211(3) 0.082(6) Uani 1 1 d G U . . .
H209 H 0.6759 0.4354 -0.1074 0.098 Uiso 1 1 calc R U . . .
C208 C 0.5868(6) 0.4154(3) -0.1323(3) 0.095(7) Uani 1 1 d G U . . .
H208 H 0.5715 0.4437 -0.1263 0.114 Uiso 1 1 calc R U . . .
C207 C 0.5470(4) 0.3790(5) -0.1523(3) 0.086(6) Uani 1 1 d G U . . .
H207 H 0.5047 0.3823 -0.1600 0.104 Uiso 1 1 calc R U . . .
N206 N 0.5693(6) 0.3376(4) -0.1612(3) 0.077(5) Uani 1 1 d G U . . .
C222 C 0.7060(4) 0.0777(5) -0.1401(5) 0.065(6) Uani 1 1 d D U . . .
C186 C 0.5407(7) 0.3130(3) 0.0279(3) 0.073(6) Uani 1 1 d G U . . .
H186 H 0.5566 0.2850 0.0215 0.088 Uiso 1 1 calc R U . . .
N185 N 0.5799(4) 0.3500(5) 0.0470(3) 0.097(6) Uani 1 1 d G U . . .
C190 C 0.5567(6) 0.3910(4) 0.0563(3) 0.092(7) Uani 1 1 d G U . . .
H190 H 0.5835 0.4162 0.0693 0.110 Uiso 1 1 calc R U . . .
C189 C 0.4943(7) 0.3949(3) 0.0465(3) 0.097(7) Uani 1 1 d G U . . .
H189 H 0.4784 0.4229 0.0528 0.116 Uiso 1 1 calc R U . . .
C188 C 0.4551(4) 0.3579(5) 0.0274(3) 0.090(7) Uani 1 1 d G U . . .
H188 H 0.4125 0.3606 0.0207 0.108 Uiso 1 1 calc R U . . .
C187 C 0.4783(6) 0.3170(4) 0.0181(3) 0.097(7) Uani 1 1 d DG U . . .
C293 C 0.5483(10) 0.3665(6) -0.3594(5) 0.069(6) Uani 1 1 d . U . . .
C97 C 0.8783(7) 0.3673(4) 0.2011(5) 0.065(6) Uani 1 1 d D U . . .
C275 C 0.7321(10) 0.1446(6) -0.3300(5) 0.060(5) Uani 1 1 d . U . . .
C456 C 0.6820(10) 0.4178(6) -0.6249(5) 0.076(6) Uani 1 1 d . U . . .
H456 H 0.6724 0.4477 -0.6192 0.092 Uiso 1 1 calc R U . . .
C94 C 0.5840(6) 0.3193(4) 0.2327(5) 0.063(5) Uani 1 1 d D U . . .
C412 C 0.8628(4) 0.3743(5) -0.5063(3) 0.069(6) Uani 1 1 d G U . . .
H412 H 0.9046 0.3686 -0.5002 0.082 Uiso 1 1 calc R U . . .
C411 C 0.8462(6) 0.4174(4) -0.5041(3) 0.095(7) Uani 1 1 d DG U . . .
C410 C 0.7851(7) 0.4258(3) -0.5130(3) 0.069(6) Uani 1 1 d G U . . .
H410 H 0.7738 0.4553 -0.5115 0.083 Uiso 1 1 calc R U . . .
C409 C 0.7405(4) 0.3909(5) -0.5240(3) 0.066(6) Uani 1 1 d G U . . .
C394 C 0.7571(5) 0.3478(4) -0.5262(3) 0.065(6) Uani 1 1 d G U . . .
C393 C 0.8182(6) 0.3395(3) -0.5173(3) 0.067(6) Uani 1 1 d G U . . .
C465 C 0.8482(9) 0.2594(7) -0.5180(5) 0.082(6) Uani 1 1 d . U . . .
C400 C 0.4606(10) 0.2565(6) -0.6129(5) 0.072(6) Uani 1 1 d . U . . .
C256 C 0.8542(9) 0.4453(6) -0.1737(5) 0.055(5) Uani 1 1 d . U . . .
C445 C 0.9116(6) 0.1979(4) -0.5171(3) 0.087(7) Uani 1 1 d G U . . .
H445 H 0.9453 0.2183 -0.5149 0.104 Uiso 1 1 calc R U . . .
C444 C 0.8535(7) 0.2126(3) -0.5189(3) 0.084(7) Uani 1 1 d G U . . .
C443 C 0.8043(5) 0.1828(5) -0.5221(3) 0.076(6) Uani 1 1 d G U . . .
H443 H 0.7646 0.1929 -0.5233 0.091 Uiso 1 1 calc R U . . .
C442 C 0.8132(5) 0.1383(4) -0.5236(3) 0.067(6) Uani 1 1 d G U . . .
C441 C 0.8713(7) 0.1236(3) -0.5218(3) 0.075(6) Uani 1 1 d G U . . .
H441 H 0.8773 0.0932 -0.5228 0.090 Uiso 1 1 calc R U . . .
N440 N 0.9205(5) 0.1534(5) -0.5185(3) 0.094(6) Uani 1 1 d G U . . .
C249 C 0.8884(3) 0.1758(5) -0.2165(3) 0.077(6) Uani 1 1 d DG U . . .
C268 C 0.9272(6) 0.1417(3) -0.2189(3) 0.057(5) Uani 1 1 d G U . . .
H268 H 0.9111 0.1119 -0.2239 0.068 Uiso 1 1 calc R U . . .
C267 C 0.9894(5) 0.1512(4) -0.2141(3) 0.072(6) Uani 1 1 d G U . . .
C266 C 1.0129(3) 0.1947(5) -0.2068(3) 0.077(6) Uani 1 1 d G U . . .
H266 H 1.0555 0.2012 -0.2035 0.093 Uiso 1 1 calc R U . . .
C265 C 0.9742(6) 0.2288(3) -0.2044(3) 0.063(5) Uani 1 1 d G U . . .
C250 C 0.9120(5) 0.2194(4) -0.2092(3) 0.061(5) Uani 1 1 d G U . . .
C401 C 0.4017(9) 0.2661(6) -0.6260(5) 0.073(6) Uani 1 1 d . U . . .
H401 H 0.3698 0.2444 -0.6399 0.087 Uiso 1 1 calc R U . . .
C215 C 0.6985(6) 0.0817(4) -0.0440(5) 0.082(6) Uani 1 1 d D U . . .
C98 C 0.8435(7) 0.3955(4) 0.2009(5) 0.071(6) Uani 1 1 d D U . . .
C421 C 0.9794(7) 0.3456(3) -0.5912(3) 0.076(6) Uani 1 1 d G U . . .
H421 H 0.9770 0.3766 -0.5878 0.091 Uiso 1 1 calc R U . . .
C420 C 0.9265(5) 0.3178(5) -0.6019(3) 0.074(6) Uani 1 1 d G U . . .
C419 C 0.9300(5) 0.2723(5) -0.6068(3) 0.090(7) Uani 1 1 d G U . . .
C424 C 0.9865(8) 0.2547(3) -0.6011(3) 0.074(6) Uani 1 1 d G U . . .
C423 C 1.0394(5) 0.2825(5) -0.5905(3) 0.111(8) Uani 1 1 d G U . . .
H423 H 1.0781 0.2705 -0.5866 0.133 Uiso 1 1 calc R U . . .
C422 C 1.0359(5) 0.3280(5) -0.5855(3) 0.095(7) Uani 1 1 d DG U . . .
C435 C 0.4992(9) 0.3237(6) -0.4853(5) 0.063(6) Uani 1 1 d D U . . .
C257 C 0.8852(8) 0.4862(5) -0.1622(4) 0.048(5) Uani 1 1 d . U . . .
H257 H 0.8638 0.5119 -0.1564 0.058 Uiso 1 1 calc R U . . .
C464 C 0.7634(9) 0.1048(6) -0.5277(5) 0.062(6) Uani 1 1 d . U . . .
C479 C 0.7142(9) -0.0884(7) -0.5166(6) 0.177(11) Uani 1 1 d D U . . .
H47A H 0.7495 -0.1009 -0.5263 0.265 Uiso 1 1 calc R U . . .
H47B H 0.6973 -0.1083 -0.5016 0.265 Uiso 1 1 calc R U . . .
H47C H 0.7269 -0.0596 -0.4983 0.265 Uiso 1 1 calc R U . . .
C196 C 0.8124(6) 0.2248(3) -0.0224(3) 0.084(6) Uani 1 1 d DG U . . .
C195 C 0.7673(4) 0.1907(5) -0.0300(3) 0.066(6) Uani 1 1 d G U . . .
H195 H 0.7256 0.1969 -0.0347 0.079 Uiso 1 1 calc R U . . .
C194 C 0.7831(5) 0.1475(4) -0.0307(3) 0.078(6) Uani 1 1 d DG U . . .
C193 C 0.8441(6) 0.1384(3) -0.0238(3) 0.075(6) Uani 1 1 d G U . . .
H193 H 0.8549 0.1089 -0.0243 0.090 Uiso 1 1 calc R U . . .
N192 N 0.8892(4) 0.1726(4) -0.0162(3) 0.096(6) Uani 1 1 d G U . . .
C197 C 0.8734(5) 0.2157(4) -0.0155(3) 0.074(6) Uani 1 1 d G U . . .
H197 H 0.9042 0.2390 -0.0103 0.089 Uiso 1 1 calc R U . . .
C296 C 0.4622(6) 0.2627(4) -0.4065(3) 0.071(6) Uani 1 1 d DG U . . .
C295 C 0.4869(4) 0.3054(5) -0.3891(3) 0.062(6) Uani 1 1 d G U . . .
C300 C 0.4489(6) 0.3399(3) -0.3855(3) 0.056(5) Uani 1 1 d G U . . .
C299 C 0.3863(6) 0.3317(4) -0.3993(3) 0.084(6) Uani 1 1 d G U . . .
H299 H 0.3604 0.3553 -0.3969 0.100 Uiso 1 1 calc R U . . .
C298 C 0.3617(4) 0.2889(5) -0.4168(3) 0.098(7) Uani 1 1 d G U . . .
C297 C 0.3996(7) 0.2544(3) -0.4204(3) 0.089(7) Uani 1 1 d G U . . .
H297 H 0.3828 0.2252 -0.4323 0.107 Uiso 1 1 calc R U . . .
N309 N 0.6051(5) 0.1424(4) -0.2349(3) 0.090(5) Uani 1 1 d G U . . .
C314 C 0.5927(4) 0.0969(4) -0.2448(3) 0.076(6) Uani 1 1 d G U . . .
H314 H 0.5520 0.0847 -0.2494 0.092 Uiso 1 1 calc R U . . .
C313 C 0.6398(6) 0.0693(3) -0.2479(3) 0.075(6) Uani 1 1 d G U . . .
H313 H 0.6313 0.0382 -0.2546 0.090 Uiso 1 1 calc R U . . .
C312 C 0.6994(5) 0.0872(4) -0.2411(3) 0.073(6) Uani 1 1 d G U . . .
H312 H 0.7316 0.0683 -0.2432 0.087 Uiso 1 1 calc R U . . .
C311 C 0.7119(4) 0.1327(4) -0.2312(3) 0.062(5) Uani 1 1 d DG U . . .
C310 C 0.6647(6) 0.1603(3) -0.2281(3) 0.077(6) Uani 1 1 d G U . . .
H310 H 0.6732 0.1914 -0.2214 0.093 Uiso 1 1 calc R U . . .
C402 C 0.3930(10) 0.3140(7) -0.6162(6) 0.079(6) Uani 1 1 d . U . . .
C255 C 0.8871(8) 0.4063(4) -0.1813(5) 0.054(5) Uani 1 1 d D U . . .
C452 C 0.5645(9) 0.0515(6) -0.6537(4) 0.062(5) Uani 1 1 d . U . . .
H452 H 0.5782 0.0228 -0.6604 0.075 Uiso 1 1 calc R U . . .
C22 C 0.5689(4) 0.2409(5) 0.2034(3) 0.074(6) Uani 1 1 d G U . . .
C21 C 0.5451(6) 0.2795(3) 0.2199(3) 0.056(5) Uani 1 1 d DG U . . .
C40 C 0.4862(6) 0.2784(3) 0.2269(3) 0.078(6) Uani 1 1 d G U . . .
H40 H 0.4699 0.3048 0.2381 0.093 Uiso 1 1 calc R U . . .
C39 C 0.4510(4) 0.2385(5) 0.2173(3) 0.067(6) Uani 1 1 d G U . . .
C38 C 0.4747(6) 0.1999(3) 0.2008(3) 0.085(6) Uani 1 1 d G U . . .
H38 H 0.4506 0.1727 0.1943 0.102 Uiso 1 1 calc R U . . .
C37 C 0.5336(6) 0.2011(3) 0.1938(3) 0.061(5) Uani 1 1 d G U . . .
C486 C 0.3101(9) 0.3497(6) -0.5850(5) 0.136(9) Uani 1 1 d D U . . .
H48A H 0.2991 0.3282 -0.5693 0.203 Uiso 1 1 calc R U . . .
H48B H 0.2757 0.3676 -0.5915 0.203 Uiso 1 1 calc R U . . .
H48C H 0.3454 0.3689 -0.5686 0.203 Uiso 1 1 calc R U . . .
C237 C 0.2613(8) 0.2836(5) -0.1381(5) 0.102(7) Uani 1 1 d D U . . .
N291 N 0.6559(7) 0.3929(4) -0.3270(4) 0.075(5) Uani 1 1 d . U . . .
H291 H 0.6739 0.3681 -0.3309 0.090 Uiso 1 1 calc R U . . .
C379 C 0.6158(7) 0.0527(3) -0.5463(3) 0.061(5) Uani 1 1 d G U . . .
C384 C 0.5704(4) 0.0186(5) -0.5554(3) 0.063(5) Uani 1 1 d G U . . .
C383 C 0.5858(6) -0.0249(4) -0.5585(3) 0.079(6) Uani 1 1 d G U . . .
H383 H 0.5547 -0.0482 -0.5647 0.094 Uiso 1 1 calc R U . . .
C382 C 0.6466(7) -0.0343(3) -0.5524(3) 0.072(6) Uani 1 1 d DG U . . .
C381 C 0.6921(4) -0.0002(5) -0.5433(3) 0.081(6) Uani 1 1 d G U . . .
H381 H 0.7336 -0.0067 -0.5392 0.097 Uiso 1 1 calc R U . . .
C380 C 0.6767(6) 0.0433(4) -0.5403(3) 0.075(6) Uani 1 1 d G U . . .
C463 C 0.7222(9) 0.0783(6) -0.5333(5) 0.055(5) Uani 1 1 d . U . . .
C49 C 0.4307(6) 0.2618(3) 0.0980(3) 0.074(6) Uani 1 1 d G U . . .
H49 H 0.4089 0.2338 0.0870 0.088 Uiso 1 1 calc R U . . .
C48 C 0.4939(6) 0.2648(3) 0.1082(3) 0.064(5) Uani 1 1 d DG U . . .
C47 C 0.5257(4) 0.3057(4) 0.1242(3) 0.061(5) Uani 1 1 d G U . . .
C52 C 0.4942(6) 0.3435(3) 0.1302(3) 0.061(5) Uani 1 1 d G U . . .
C51 C 0.4310(6) 0.3405(3) 0.1200(3) 0.080(6) Uani 1 1 d G U . . .
H51 H 0.4095 0.3664 0.1241 0.096 Uiso 1 1 calc R U . . .
C50 C 0.3992(4) 0.2996(4) 0.1039(3) 0.065(6) Uani 1 1 d DG U . . .
C338 C 0.8248(4) 0.1644(6) -0.2214(6) 0.084(6) Uani 1 1 d D U . . .
C472 C 0.8207(10) 0.3509(5) -0.6174(5) 0.057(6) Uani 1 1 d . U . . .
C436 C 0.4737(9) 0.3628(7) -0.4768(5) 0.087(7) Uani 1 1 d . U . . .
H436 H 0.4307 0.3632 -0.4844 0.104 Uiso 1 1 calc R U . . .
C332 C 0.5988(6) 0.0895(3) -0.4509(3) 0.093(7) Uani 1 1 d G U . . .
H332 H 0.5868 0.0590 -0.4607 0.112 Uiso 1 1 calc R U . . .
C331 C 0.6598(5) 0.1042(4) -0.4439(3) 0.074(6) Uani 1 1 d G U . . .
H331 H 0.6895 0.0838 -0.4489 0.089 Uiso 1 1 calc R U . . .
N330 N 0.6774(4) 0.1488(4) -0.4295(3) 0.075(5) Uani 1 1 d G U . . .
C335 C 0.6340(6) 0.1787(3) -0.4221(3) 0.084(6) Uani 1 1 d G U . . .
H335 H 0.6460 0.2092 -0.4123 0.101 Uiso 1 1 calc R U . . .
C334 C 0.5730(5) 0.1639(4) -0.4291(3) 0.061(5) Uani 1 1 d DG U . . .
C333 C 0.5554(4) 0.1193(4) -0.4435(3) 0.078(6) Uani 1 1 d G U . . .
H333 H 0.5137 0.1092 -0.4483 0.093 Uiso 1 1 calc R U . . .
C25 C 0.6779(5) 0.1626(5) 0.1772(4) 0.087(7) Uani 1 1 d G U . . .
C24 C 0.6300(7) 0.1877(3) 0.1854(3) 0.093(7) Uani 1 1 d G U . . .
C36 C 0.5724(6) 0.1673(4) 0.1812(3) 0.068(6) Uani 1 1 d G U . . .
C35 C 0.5627(5) 0.1218(4) 0.1688(3) 0.063(5) Uani 1 1 d G U . . .
H35 H 0.5233 0.1078 0.1659 0.075 Uiso 1 1 calc R U . . .
C34 C 0.6106(6) 0.0966(3) 0.1606(3) 0.078(6) Uani 1 1 d G U . . .
H34 H 0.6040 0.0654 0.1521 0.094 Uiso 1 1 calc R U . . .
C33 C 0.6682(5) 0.1170(4) 0.1648(3) 0.054(5) Uani 1 1 d G U . . .
C96 C 0.8981(7) 0.2076(3) 0.1882(5) 0.065(6) Uani 1 1 d D U . . .
C67 C 0.6015(8) 0.1781(5) 0.2820(5) 0.082(6) Uani 1 1 d . U . . .
H67A H 0.5600 0.1662 0.2682 0.123 Uiso 1 1 calc R U . . .
H67B H 0.6125 0.2036 0.2708 0.123 Uiso 1 1 calc R U . . .
H67C H 0.6033 0.1874 0.3116 0.123 Uiso 1 1 calc R U . . .
C451 C 0.6100(5) 0.0868(6) -0.6387(5) 0.071(6) Uani 1 1 d D U . . .
C292 C 0.5937(6) 0.3983(6) -0.3403(5) 0.064(6) Uani 1 1 d D U . . .
C341 C 0.5469(9) 0.3471(7) -0.2672(5) 0.074(6) Uani 1 1 d . U . . .
C99 C 0.5226(7) 0.2252(4) 0.0962(5) 0.067(6) Uani 1 1 d D U . . .
C427 C 0.9921(11) 0.1323(7) -0.6143(6) 0.101(7) Uani 1 1 d . U . . .
H427 H 1.0190 0.1093 -0.6128 0.121 Uiso 1 1 calc R U . . .
C219 C 0.4370(8) 0.1877(4) -0.1297(5) 0.080(6) Uani 1 1 d D U . . .
C220 C 0.4655(7) 0.1558(4) -0.1363(4) 0.059(5) Uani 1 1 d D U . . .
C101 C 1.0582(7) 0.0777(5) 0.2697(4) 0.078(6) Uani 1 1 d D U . . .
C303 C 0.5241(10) 0.4543(6) -0.3370(5) 0.084(7) Uani 1 1 d . U . . .
H303 H 0.5171 0.4847 -0.3323 0.101 Uiso 1 1 calc R U . . .
C100 C 0.5529(7) 0.1946(4) 0.0880(4) 0.058(5) Uani 1 1 d D U . . .
C403 C 0.4392(11) 0.3432(7) -0.5991(6) 0.093(7) Uani 1 1 d . U . . .
H403 H 0.4313 0.3736 -0.5951 0.111 Uiso 1 1 calc R U . . .
C469 C 0.6718(5) 0.0793(6) -0.6348(5) 0.071(6) Uani 1 1 d D U . . .
C124 C 0.3103(8) 0.3168(5) 0.0527(5) 0.079(6) Uani 1 1 d . U . . .
H12D H 0.3147 0.3491 0.0599 0.118 Uiso 1 1 calc R U . . .
H12E H 0.2678 0.3070 0.0397 0.118 Uiso 1 1 calc R U . . .
H12F H 0.3366 0.3063 0.0335 0.118 Uiso 1 1 calc R U . . .
C111 C 0.3414(9) 0.2048(6) 0.1990(5) 0.115(8) Uani 1 1 d . U . . .
H11A H 0.3488 0.1743 0.2015 0.172 Uiso 1 1 calc R U . . .
H11B H 0.3420 0.2082 0.1708 0.172 Uiso 1 1 calc R U . . .
H11C H 0.3016 0.2117 0.2052 0.172 Uiso 1 1 calc R U . . .
C302 C 0.4771(10) 0.4251(7) -0.3533(5) 0.089(7) Uani 1 1 d . U . . .
H302 H 0.4365 0.4336 -0.3560 0.107 Uiso 1 1 calc R U . . .
C453 C 0.4606(8) 0.0164(5) -0.6787(4) 0.076(6) Uani 1 1 d . U . . .
H45A H 0.4821 -0.0100 -0.6860 0.114 Uiso 1 1 calc R U . . .
H45B H 0.4349 0.0228 -0.7036 0.114 Uiso 1 1 calc R U . . .
H45C H 0.4352 0.0114 -0.6593 0.114 Uiso 1 1 calc R U . . .
C361 C 0.8096(8) 0.0251(6) -0.3740(5) 0.116(8) Uani 1 1 d D U . . .
C455 C 0.6362(9) 0.3861(7) -0.6413(5) 0.080(6) Uani 1 1 d . U . . .
H455 H 0.5945 0.3924 -0.6459 0.096 Uiso 1 1 calc R U . . .
C106 C 1.1380(7) 0.5013(5) 0.3409(5) 0.108(7) Uani 1 1 d D U . . .
H10D H 1.1636 0.5275 0.3405 0.163 Uiso 1 1 calc R U . . .
H10E H 1.1552 0.4747 0.3283 0.163 Uiso 1 1 calc R U . . .
H10F H 1.1365 0.5000 0.3694 0.163 Uiso 1 1 calc R U . . .
C437 C 0.5073(10) 0.4015(7) -0.4577(6) 0.097(7) Uani 1 1 d . U . . .
H437 H 0.4881 0.4279 -0.4506 0.116 Uiso 1 1 calc R U . . .
C301 C 0.4901(9) 0.3790(6) -0.3670(5) 0.060(5) Uani 1 1 d . U . . .
N26 N 0.7376(7) 0.1743(4) 0.1824(4) 0.071(5) Uani 1 1 d . U . . .
H26 H 0.7539 0.2016 0.1908 0.085 Uiso 1 1 calc R U . . .
C460 C 0.6040(9) 0.3112(6) -0.6673(5) 0.103(7) Uani 1 1 d . U . . .
H46A H 0.5974 0.2953 -0.6459 0.154 Uiso 1 1 calc R U . . .
H46B H 0.6136 0.2904 -0.6905 0.154 Uiso 1 1 calc R U . . .
H46C H 0.5671 0.3256 -0.6768 0.154 Uiso 1 1 calc R U . . .
C74 C 0.6327(8) 0.5129(5) 0.2982(5) 0.093(6) Uani 1 1 d . U . . .
H74A H 0.5946 0.5072 0.3069 0.140 Uiso 1 1 calc R U . . .
H74B H 0.6241 0.5255 0.2733 0.140 Uiso 1 1 calc R U . . .
H74C H 0.6600 0.5338 0.3202 0.140 Uiso 1 1 calc R U . . .
C459 C 0.7131(11) 0.3349(7) -0.6410(5) 0.084(7) Uani 1 1 d . U . . .
H459 H 0.7215 0.3047 -0.6455 0.101 Uiso 1 1 calc R U . . .
C448 C 0.4808(9) 0.0953(6) -0.6509(5) 0.072(6) Uani 1 1 d . U . . .
H448 H 0.4381 0.0977 -0.6545 0.086 Uiso 1 1 calc R U . . .
C288 C 0.4294(10) 0.2659(6) -0.2897(5) 0.089(7) Uani 1 1 d . U . . .
H288 H 0.4102 0.2912 -0.2792 0.106 Uiso 1 1 calc R U . . .
C216 C 0.7385(7) 0.1111(5) -0.0388(6) 0.090(7) Uani 1 1 d D U . . .
C7 C 0.9603(6) 0.3827(4) 0.3051(3) 0.089(7) Uani 1 1 d G U . . .
C12 C 1.0222(6) 0.3815(3) 0.3053(3) 0.069(6) Uani 1 1 d G U . . .
C11 C 1.0577(4) 0.4205(5) 0.3101(3) 0.065(5) Uani 1 1 d G U . . .
H11 H 1.1000 0.4197 0.3102 0.078 Uiso 1 1 calc R U . . .
C10 C 1.0314(6) 0.4608(3) 0.3148(3) 0.080(6) Uani 1 1 d G U . . .
C9 C 0.9696(6) 0.4619(3) 0.3146(3) 0.077(6) Uani 1 1 d G U . . .
H9 H 0.9516 0.4894 0.3178 0.092 Uiso 1 1 calc R U . . .
C8 C 0.9340(4) 0.4229(5) 0.3097(3) 0.055(5) Uani 1 1 d DG U . . .
C105 C 1.0727(7) 0.5042(5) 0.3163(4) 0.092(7) Uani 1 1 d D U . . .
C229 C 0.6486(7) -0.0801(3) -0.0800(5) 0.100(7) Uani 1 1 d D U . . .
C66 C 0.6254(4) 0.0990(4) 0.2677(3) 0.076(6) Uani 1 1 d G U . . .
H66 H 0.5839 0.0904 0.2663 0.092 Uiso 1 1 calc R U . . .
C65 C 0.6668(6) 0.0671(3) 0.2622(3) 0.081(6) Uani 1 1 d G U . . .
H65 H 0.6536 0.0367 0.2572 0.097 Uiso 1 1 calc R U . . .
C64 C 0.7275(5) 0.0797(4) 0.2642(3) 0.072(6) Uani 1 1 d G U . . .
H64 H 0.7558 0.0579 0.2604 0.087 Uiso 1 1 calc R U . . .
C63 C 0.7467(4) 0.1242(4) 0.2715(3) 0.059(5) Uani 1 1 d DG U . . .
C62 C 0.7053(6) 0.1561(3) 0.2770(3) 0.062(5) Uani 1 1 d G U . . .
H62 H 0.7184 0.1865 0.2820 0.075 Uiso 1 1 calc R U . . .
N61 N 0.6446(5) 0.1435(4) 0.2750(3) 0.069(5) Uani 1 1 d G U . . .
C450 C 0.5845(9) 0.1277(6) -0.6303(5) 0.069(6) Uani 1 1 d . U . . .
H450 H 0.6118 0.1532 -0.6196 0.083 Uiso 1 1 calc R U . . .
C108 C 1.0709(8) 0.5098(5) 0.2715(4) 0.089(6) Uani 1 1 d D U . . .
H10G H 1.0300 0.5169 0.2592 0.134 Uiso 1 1 calc R U . . .
H10H H 1.0808 0.4822 0.2553 0.134 Uiso 1 1 calc R U . . .
H10I H 1.1006 0.5337 0.2714 0.134 Uiso 1 1 calc R U . . .
C458 C 0.7583(10) 0.3639(6) -0.6262(5) 0.059(5) Uani 1 1 d . U . . .
C428 C 0.9294(11) 0.1206(6) -0.6211(5) 0.082(6) Uani 1 1 d . U . . .
C434 C 0.5601(11) 0.3218(7) -0.4731(5) 0.091(7) Uani 1 1 d . U . . .
H434 H 0.5787 0.2945 -0.4757 0.110 Uiso 1 1 calc R U . . .
C350 C 1.0227(9) 0.0873(5) -0.1835(5) 0.110(7) Uani 1 1 d D U . . .
H35A H 1.0371 0.1068 -0.1566 0.165 Uiso 1 1 calc R U . . .
H35B H 1.0462 0.0611 -0.1852 0.165 Uiso 1 1 calc R U . . .
H35C H 0.9795 0.0782 -0.1868 0.165 Uiso 1 1 calc R U . . .
C286 C 0.4270(9) 0.1868(6) -0.3140(5) 0.074(6) Uani 1 1 d . U . . .
H286 H 0.4058 0.1585 -0.3205 0.089 Uiso 1 1 calc R U . . .
C366 C 0.7579(8) 0.5693(5) -0.1942(4) 0.099(7) Uani 1 1 d D U . . .
H36D H 0.7780 0.5984 -0.1806 0.149 Uiso 1 1 calc R U . . .
H36E H 0.7869 0.5466 -0.1905 0.149 Uiso 1 1 calc R U . . .
H36F H 0.7231 0.5634 -0.1820 0.149 Uiso 1 1 calc R U . . .
C345 C 0.8221(8) 0.3859(6) -0.2864(5) 0.078(6) Uani 1 1 d D U . . .
C138 C 0.4292(8) 0.0164(3) -0.0763(3) 0.096(7) Uani 1 1 d G U . . .
H138 H 0.4213 -0.0147 -0.0848 0.115 Uiso 1 1 calc R U . . .
C137 C 0.4885(6) 0.0351(5) -0.0681(3) 0.085(7) Uani 1 1 d G U . . .
C129 C 0.5000(5) 0.0806(5) -0.0557(3) 0.070(6) Uani 1 1 d G U . . .
C128 C 0.4522(8) 0.1073(3) -0.0515(3) 0.068(6) Uani 1 1 d G U . . .
C140 C 0.3928(6) 0.0886(5) -0.0598(3) 0.091(7) Uani 1 1 d G U . . .
C139 C 0.3813(5) 0.0431(5) -0.0722(3) 0.113(8) Uani 1 1 d G U . . .
H139 H 0.3408 0.0303 -0.0778 0.135 Uiso 1 1 calc R U . . .
C245 C 1.0033(9) 0.4084(6) -0.0494(6) 0.075(6) Uani 1 1 d . U . . .
C152 C 0.4130(6) 0.2299(3) -0.1210(3) 0.078(6) Uani 1 1 d DG U . . .
C151 C 0.4529(4) 0.2668(4) -0.1030(3) 0.056(5) Uani 1 1 d DG U . . .
C156 C 0.4311(6) 0.3086(3) -0.0977(3) 0.071(6) Uani 1 1 d G U . . .
C155 C 0.3694(6) 0.3135(3) -0.1103(3) 0.059(5) Uani 1 1 d G U . . .
H155 H 0.3545 0.3421 -0.1067 0.070 Uiso 1 1 calc R U . . .
C154 C 0.3295(4) 0.2766(5) -0.1283(3) 0.091(7) Uani 1 1 d G U . . .
C153 C 0.3513(6) 0.2348(4) -0.1336(3) 0.084(6) Uani 1 1 d G U . . .
H153 H 0.3240 0.2096 -0.1459 0.101 Uiso 1 1 calc R U . . .
C213 C 0.4432(7) 0.2763(4) -0.0007(5) 0.087(7) Uani 1 1 d D U . . .
C487 C 0.2776(8) 0.2867(6) -0.6467(5) 0.116(8) Uani 1 1 d D U . . .
H48D H 0.2902 0.2697 -0.6708 0.174 Uiso 1 1 calc R U . . .
H48E H 0.2384 0.2987 -0.6554 0.174 Uiso 1 1 calc R U . . .
H48F H 0.2736 0.2674 -0.6273 0.174 Uiso 1 1 calc R U . . .
C104 C 1.0306(9) 0.0482(5) 0.2272(5) 0.125(8) Uani 1 1 d D U . . .
H10J H 1.0334 0.0646 0.2054 0.187 Uiso 1 1 calc R U . . .
H10K H 0.9878 0.0396 0.2260 0.187 Uiso 1 1 calc R U . . .
H10L H 1.0531 0.0216 0.2233 0.187 Uiso 1 1 calc R U . . .
C438 C 0.5669(10) 0.4011(6) -0.4496(5) 0.076(6) Uani 1 1 d . U . . .
H438 H 0.5921 0.4276 -0.4389 0.091 Uiso 1 1 calc R U . . .
C258 C 0.9495(10) 0.4900(5) -0.1589(5) 0.089(7) Uani 1 1 d D U . . .
C121 C 0.3287(4) 0.2977(6) 0.0921(5) 0.073(6) Uani 1 1 d D U . . .
C166 C 0.8100(6) 0.1139(3) -0.1275(3) 0.083(6) Uani 1 1 d G U . . .
C165 C 0.7708(4) 0.0765(5) -0.1331(3) 0.054(5) Uani 1 1 d DG U . . .
C184 C 0.7942(6) 0.0359(3) -0.1303(3) 0.091(7) Uani 1 1 d G U . . .
H184 H 0.7674 0.0104 -0.1341 0.109 Uiso 1 1 calc R U . . .
C183 C 0.8568(6) 0.0326(3) -0.1218(3) 0.076(6) Uani 1 1 d DG U . . .
C182 C 0.8960(4) 0.0700(5) -0.1162(3) 0.091(7) Uani 1 1 d G U . . .
H182 H 0.9389 0.0678 -0.1104 0.109 Uiso 1 1 calc R U . . .
C181 C 0.8726(6) 0.1106(3) -0.1190(3) 0.078(6) Uani 1 1 d G U . . .
C466 C 0.8375(9) 0.2986(7) -0.5171(6) 0.094(7) Uani 1 1 d . U . . .
C247 C 0.9769(8) 0.4535(5) -0.0525(5) 0.096(7) Uani 1 1 d . U . . .
H24A H 1.0101 0.4769 -0.0441 0.144 Uiso 1 1 calc R U . . .
H24B H 0.9478 0.4593 -0.0343 0.144 Uiso 1 1 calc R U . . .
H24C H 0.9562 0.4530 -0.0810 0.144 Uiso 1 1 calc R U . . .
C191 C 0.6445(9) 0.3443(6) 0.0563(5) 0.120(8) Uani 1 1 d . U . . .
H19A H 0.6543 0.3313 0.0809 0.180 Uiso 1 1 calc R U . . .
H19B H 0.6673 0.3731 0.0613 0.180 Uiso 1 1 calc R U . . .
H19C H 0.6557 0.3247 0.0330 0.180 Uiso 1 1 calc R U . . .
C348 C 0.5319(7) 0.1975(5) -0.4217(5) 0.084(7) Uani 1 1 d D U . . .
C89 C 0.8101(4) 0.1375(5) 0.2788(5) 0.059(5) Uani 1 1 d D U . . .
C109 C 0.3905(11) 0.2357(7) 0.2288(7) 0.103(8) Uani 1 1 d . U . . .
C346 C 0.7856(8) 0.4121(5) -0.2869(6) 0.097(7) Uani 1 1 d D U . . .
C205 C 0.4548(9) -0.0047(5) -0.1849(5) 0.103(7) Uani 1 1 d . U . . .
H20A H 0.4251 -0.0077 -0.1678 0.154 Uiso 1 1 calc R U . . .
H20B H 0.4822 -0.0287 -0.1839 0.154 Uiso 1 1 calc R U . . .
H20C H 0.4334 -0.0062 -0.2134 0.154 Uiso 1 1 calc R U . . .
C212 C 0.5290(9) 0.2990(6) -0.1803(5) 0.103(7) Uani 1 1 d . U . . .
H21A H 0.5234 0.2950 -0.2103 0.155 Uiso 1 1 calc R U . . .
H21B H 0.4895 0.3027 -0.1724 0.155 Uiso 1 1 calc R U . . .
H21C H 0.5467 0.2731 -0.1713 0.155 Uiso 1 1 calc R U . . .
C353 C 0.9808(7) 0.5374(5) -0.1456(4) 0.078(6) Uani 1 1 d D U . . .
C457 C 0.7414(10) 0.4085(6) -0.6163(5) 0.084(6) Uani 1 1 d . U . . .
H457 H 0.7719 0.4317 -0.6038 0.101 Uiso 1 1 calc R U . . .
C248 C 1.0563(8) 0.4029(5) -0.0712(5) 0.090(7) Uani 1 1 d . U . . .
H24D H 1.0443 0.4100 -0.0986 0.134 Uiso 1 1 calc R U . . .
H24E H 1.0677 0.3724 -0.0739 0.134 Uiso 1 1 calc R U . . .
H24F H 1.0911 0.4229 -0.0552 0.134 Uiso 1 1 calc R U . . .
C336 C 0.7398(8) 0.1650(6) -0.4254(5) 0.088(7) Uani 1 1 d . U . . .
H33A H 0.7666 0.1411 -0.4216 0.132 Uiso 1 1 calc R U . . .
H33B H 0.7508 0.1893 -0.4014 0.132 Uiso 1 1 calc R U . . .
H33C H 0.7443 0.1757 -0.4503 0.132 Uiso 1 1 calc R U . . .
C246 C 1.0217(9) 0.4067(6) -0.0038(5) 0.115(8) Uani 1 1 d . U . . .
H24G H 1.0430 0.4349 0.0114 0.172 Uiso 1 1 calc R U . . .
H24H H 1.0487 0.3829 -0.0004 0.172 Uiso 1 1 calc R U . . .
H24I H 0.9852 0.4013 0.0069 0.172 Uiso 1 1 calc R U . . .
C363 C 0.8800(8) 0.0277(6) -0.3668(5) 0.103(7) Uani 1 1 d D U . . .
H36G H 0.8938 0.0484 -0.3823 0.154 Uiso 1 1 calc R U . . .
H36H H 0.8935 -0.0016 -0.3761 0.154 Uiso 1 1 calc R U . . .
H36I H 0.8973 0.0379 -0.3373 0.154 Uiso 1 1 calc R U . . .
C287 C 0.3956(6) 0.2235(7) -0.3004(5) 0.084(6) Uani 1 1 d D U . . .
C103 C 1.1257(7) 0.0895(5) 0.2694(5) 0.095(7) Uani 1 1 d D U . . .
H10M H 1.1487 0.0632 0.2705 0.142 Uiso 1 1 calc R U . . .
H10N H 1.1430 0.1126 0.2934 0.142 Uiso 1 1 calc R U . . .
H10O H 1.1280 0.1001 0.2442 0.142 Uiso 1 1 calc R U . . .
C369 C 0.2912(9) 0.2825(5) -0.4314(5) 0.117(6) Uani 1 1 d D U . . .
C329 C 1.0179(9) 0.3288(6) -0.2984(6) 0.102(7) Uani 1 1 d . U . . .
H32A H 1.0180 0.3390 -0.3242 0.154 Uiso 1 1 calc R U . . .
H32B H 1.0378 0.3010 -0.2989 0.154 Uiso 1 1 calc R U . . .
H32C H 1.0401 0.3511 -0.2751 0.154 Uiso 1 1 calc R U . . .
C278 C 0.7811(10) 0.0681(7) -0.3562(5) 0.074(6) Uani 1 1 d . U . . .
C322 C 0.5457(8) 0.5056(5) -0.2177(5) 0.090(7) Uani 1 1 d . U . . .
H32D H 0.5674 0.5274 -0.1938 0.135 Uiso 1 1 calc R U . . .
H32E H 0.5041 0.4993 -0.2143 0.135 Uiso 1 1 calc R U . . .
H32F H 0.5442 0.5175 -0.2428 0.135 Uiso 1 1 calc R U . . .
C110 C 0.3985(10) 0.2206(7) 0.2682(6) 0.138(9) Uani 1 1 d . U . . .
H11D H 0.3591 0.2184 0.2762 0.207 Uiso 1 1 calc R U . . .
H11E H 0.4266 0.2418 0.2895 0.207 Uiso 1 1 calc R U . . .
H11F H 0.4154 0.1916 0.2651 0.207 Uiso 1 1 calc R U . . .
C102 C 1.0574(8) 0.0518(5) 0.3047(5) 0.102(7) Uani 1 1 d D U . . .
H10P H 1.0165 0.0509 0.3107 0.152 Uiso 1 1 calc R U . . .
H10Q H 1.0867 0.0665 0.3295 0.152 Uiso 1 1 calc R U . . .
H10R H 1.0686 0.0216 0.2960 0.152 Uiso 1 1 calc R U . . .
C352 C 1.0089(9) 0.0832(6) -0.2617(5) 0.139(9) Uani 1 1 d D U . . .
H35D H 1.0287 0.0554 -0.2635 0.208 Uiso 1 1 calc R U . . .
H35E H 1.0192 0.0991 -0.2823 0.208 Uiso 1 1 calc R U . . .
H35F H 0.9646 0.0771 -0.2669 0.208 Uiso 1 1 calc R U . . .
C351 C 1.0988(7) 0.1290(5) -0.2116(5) 0.103(7) Uani 1 1 d D U . . .
H35G H 1.1097 0.1515 -0.1863 0.154 Uiso 1 1 calc R U . . .
H35H H 1.1046 0.1418 -0.2351 0.154 Uiso 1 1 calc R U . . .
H35I H 1.1248 0.1043 -0.2094 0.154 Uiso 1 1 calc R U . . .
C439 C 0.6585(9) 0.3606(6) -0.4426(5) 0.095(7) Uani 1 1 d . U . . .
H43A H 0.6737 0.3342 -0.4572 0.143 Uiso 1 1 calc R U . . .
H43B H 0.6676 0.3609 -0.4130 0.143 Uiso 1 1 calc R U . . .
H43C H 0.6783 0.3870 -0.4479 0.143 Uiso 1 1 calc R U . . .
C198 C 0.9539(9) 0.1629(6) -0.0075(5) 0.126(8) Uani 1 1 d . U . . .
H19D H 0.9693 0.1683 0.0223 0.188 Uiso 1 1 calc R U . . .
H19E H 0.9775 0.1820 -0.0197 0.188 Uiso 1 1 calc R U . . .
H19F H 0.9577 0.1319 -0.0194 0.188 Uiso 1 1 calc R U . . .
C493 C 1.0938(5) 0.3587(4) -0.5644(3) 0.120(7) Uani 1 1 d D U . . .
C359 C 0.2859(9) 0.1872(5) -0.3245(4) 0.172(11) Uani 1 1 d D U . . .
H35J H 0.2869 0.1965 -0.3505 0.258 Uiso 1 1 calc R U . . .
H35K H 0.2450 0.1898 -0.3187 0.258 Uiso 1 1 calc R U . . .
H35L H 0.2964 0.1565 -0.3266 0.258 Uiso 1 1 calc R U . . .
C364 C 0.7824(8) 0.0116(6) -0.4208(5) 0.115(8) Uani 1 1 d D U . . .
H36J H 0.7987 0.0324 -0.4353 0.173 Uiso 1 1 calc R U . . .
H36K H 0.7380 0.0120 -0.4256 0.173 Uiso 1 1 calc R U . . .
H36L H 0.7934 -0.0182 -0.4311 0.173 Uiso 1 1 calc R U . . .
C234 C 0.7829(11) 0.4863(7) 0.0716(5) 0.175(11) Uani 1 1 d D U . . .
H23A H 0.8071 0.4716 0.0919 0.262 Uiso 1 1 calc R U . . .
H23B H 0.7395 0.4792 0.0699 0.262 Uiso 1 1 calc R U . . .
H23C H 0.7920 0.5183 0.0800 0.262 Uiso 1 1 calc R U . . .
C143 C 0.2695(4) 0.1664(6) -0.0447(4) 0.116(8) Uani 1 1 d DG U . . .
C142 C 0.2943(6) 0.1262(4) -0.0545(3) 0.098(7) Uani 1 1 d G U . . .
H142 H 0.2685 0.0997 -0.0631 0.117 Uiso 1 1 calc R U . . .
C141 C 0.3567(7) 0.1247(4) -0.0518(3) 0.090(7) Uani 1 1 d G U . . .
C126 C 0.3944(4) 0.1635(6) -0.0392(4) 0.082(7) Uani 1 1 d DG U . . .
C125 C 0.3696(7) 0.2037(4) -0.0293(3) 0.087(7) Uani 1 1 d DG U . . .
C144 C 0.3071(7) 0.2052(4) -0.0321(3) 0.106(7) Uani 1 1 d G U . . .
H144 H 0.2902 0.2327 -0.0254 0.127 Uiso 1 1 calc R U . . .
C355 C 0.9461(9) 0.5727(5) -0.1660(5) 0.124(8) Uani 1 1 d D U . . .
H35M H 0.9577 0.6019 -0.1483 0.185 Uiso 1 1 calc R U . . .
H35N H 0.9022 0.5660 -0.1697 0.185 Uiso 1 1 calc R U . . .
H35O H 0.9565 0.5725 -0.1929 0.185 Uiso 1 1 calc R U . . .
C367 C 0.6851(8) 0.6009(6) -0.2444(5) 0.118(8) Uani 1 1 d D U . . .
H36M H 0.7018 0.6306 -0.2296 0.177 Uiso 1 1 calc R U . . .
H36N H 0.6517 0.5914 -0.2325 0.177 Uiso 1 1 calc R U . . .
H36O H 0.6698 0.6015 -0.2736 0.177 Uiso 1 1 calc R U . . .
C356 C 1.0471(7) 0.5405(5) -0.1521(5) 0.103(7) Uani 1 1 d D U . . .
H35P H 1.0720 0.5224 -0.1354 0.155 Uiso 1 1 calc R U . . .
H35Q H 1.0638 0.5713 -0.1437 0.155 Uiso 1 1 calc R U . . .
H35R H 1.0475 0.5298 -0.1812 0.155 Uiso 1 1 calc R U . . .
C122 C 0.3017(9) 0.3225(6) 0.1287(5) 0.127(8) Uani 1 1 d . U . . .
H12G H 0.3190 0.3120 0.1539 0.190 Uiso 1 1 calc R U . . .
H12H H 0.2573 0.3167 0.1223 0.190 Uiso 1 1 calc R U . . .
H12I H 0.3119 0.3543 0.1328 0.190 Uiso 1 1 calc R U . . .
C231 C 0.6818(9) -0.0858(5) -0.1166(5) 0.117(8) Uani 1 1 d D U . . .
H23D H 0.7163 -0.0637 -0.1103 0.175 Uiso 1 1 calc R U . . .
H23E H 0.6534 -0.0819 -0.1415 0.175 Uiso 1 1 calc R U . . .
H23F H 0.6966 -0.1154 -0.1210 0.175 Uiso 1 1 calc R U . . .
C495 C 1.0980(8) 0.3960(5) -0.5887(4) 0.146(8) Uani 1 1 d D U . . .
H49A H 1.0571 0.4055 -0.5978 0.220 Uiso 1 1 calc R U . . .
H49B H 1.1154 0.3851 -0.6128 0.220 Uiso 1 1 calc R U . . .
H49C H 1.1240 0.4211 -0.5710 0.220 Uiso 1 1 calc R U . . .
C238 C 0.2386(9) 0.3054(6) -0.0990(5) 0.137(9) Uani 1 1 d D U . . .
H23G H 0.2587 0.2932 -0.0755 0.206 Uiso 1 1 calc R U . . .
H23H H 0.1945 0.2993 -0.1035 0.206 Uiso 1 1 calc R U . . .
H23I H 0.2484 0.3373 -0.0935 0.206 Uiso 1 1 calc R U . . .
C349 C 1.0312(8) 0.1120(5) -0.2181(5) 0.085(7) Uani 1 1 d D U . . .
C259 C 0.9807(9) 0.4522(6) -0.1673(5) 0.079(6) Uani 1 1 d . U . . .
H259 H 1.0230 0.4545 -0.1672 0.095 Uiso 1 1 calc R U . . .
C233 C 0.7989(7) 0.4701(4) 0.0290(5) 0.141(9) Uani 1 1 d D U . . .
C277 C 0.8194(9) 0.1071(6) -0.3408(5) 0.074(6) Uani 1 1 d . U . . .
H277 H 0.8622 0.1063 -0.3383 0.089 Uiso 1 1 calc R U . . .
C488 C 0.3197(10) 0.3568(6) -0.6563(6) 0.150(9) Uani 1 1 d D U . . .
H48G H 0.3536 0.3796 -0.6478 0.226 Uiso 1 1 calc R U . . .
H48H H 0.2811 0.3708 -0.6568 0.226 Uiso 1 1 calc R U . . .
H48I H 0.3202 0.3401 -0.6839 0.226 Uiso 1 1 calc R U . . .
C119 C 0.7857(7) 0.5838(6) 0.2653(5) 0.174(11) Uani 1 1 d D U . . .
H11G H 0.7457 0.5916 0.2522 0.261 Uiso 1 1 calc R U . . .
H11H H 0.8114 0.6107 0.2791 0.261 Uiso 1 1 calc R U . . .
H11I H 0.7808 0.5658 0.2856 0.261 Uiso 1 1 calc R U . . .
C230 C 0.6989(9) -0.0888(6) -0.0445(5) 0.152(9) Uani 1 1 d D U . . .
H23J H 0.7027 -0.1206 -0.0472 0.228 Uiso 1 1 calc R U . . .
H23K H 0.6881 -0.0769 -0.0180 0.228 Uiso 1 1 calc R U . . .
H23L H 0.7378 -0.0743 -0.0457 0.228 Uiso 1 1 calc R U . . .
C446 C 0.9828(9) 0.1357(6) -0.5145(6) 0.124(8) Uani 1 1 d . U . . .
H44A H 0.9979 0.1362 -0.5398 0.186 Uiso 1 1 calc R U . . .
H44B H 0.9801 0.1053 -0.5102 0.186 Uiso 1 1 calc R U . . .
H44C H 1.0109 0.1541 -0.4911 0.186 Uiso 1 1 calc R U . . .
C502 C 0.7122(5) 0.5135(5) -0.4204(6) 0.157(10) Uiso 1 1 d G . . . .
C501 C 0.6819(9) 0.5206(5) -0.4584(5) 0.130(8) Uiso 1 1 d G . . . .
C500 C 0.6196(9) 0.5254(4) -0.4656(3) 0.152(10) Uiso 1 1 d G . . . .
C499 C 0.5876(5) 0.5231(4) -0.4347(6) 0.108(7) Uiso 1 1 d G . . . .
C498 C 0.6178(8) 0.5159(4) -0.3967(4) 0.087(6) Uiso 1 1 d G . . . .
C497 C 0.6801(8) 0.5112(4) -0.3895(3) 0.110(7) Uiso 1 1 d G . . . .
C239 C 0.2214(8) 0.2400(6) -0.1572(5) 0.123(8) Uani 1 1 d D U . . .
H23M H 0.2193 0.2331 -0.1869 0.185 Uiso 1 1 calc R U . . .
H23N H 0.1802 0.2434 -0.1519 0.185 Uiso 1 1 calc R U . . .
H23O H 0.2393 0.2160 -0.1447 0.185 Uiso 1 1 calc R U . . .
C232 C 0.5942(8) -0.1154(5) -0.0948(6) 0.132(8) Uani 1 1 d D U . . .
H23P H 0.5618 -0.1046 -0.1137 0.199 Uiso 1 1 calc R U . . .
H23Q H 0.5786 -0.1211 -0.0710 0.199 Uiso 1 1 calc R U . . .
H23R H 0.6077 -0.1427 -0.1091 0.199 Uiso 1 1 calc R U . . .
C494 C 1.0938(8) 0.3811(6) -0.5194(4) 0.152(8) Uani 1 1 d D U . . .
H49D H 1.0561 0.3960 -0.5184 0.229 Uiso 1 1 calc R U . . .
H49E H 1.1288 0.4029 -0.5091 0.229 Uiso 1 1 calc R U . . .
H49F H 1.0966 0.3588 -0.5022 0.229 Uiso 1 1 calc R U . . .
C240 C 0.2493(9) 0.3129(6) -0.1709(5) 0.118(8) Uani 1 1 d D U . . .
H24J H 0.2698 0.3423 -0.1593 0.177 Uiso 1 1 calc R U . . .
H24K H 0.2054 0.3155 -0.1790 0.177 Uiso 1 1 calc R U . . .
H24L H 0.2651 0.2995 -0.1950 0.177 Uiso 1 1 calc R U . . .
C372 C 0.2714(9) 0.3068(6) -0.4675(5) 0.133(7) Uani 1 1 d D U . . .
H37A H 0.2904 0.2944 -0.4904 0.200 Uiso 1 1 calc R U . . .
H37B H 0.2842 0.3383 -0.4582 0.200 Uiso 1 1 calc R U . . .
H37C H 0.2270 0.3031 -0.4765 0.200 Uiso 1 1 calc R U . . .
C112 C 0.3630(11) 0.2794(7) 0.2367(7) 0.178(11) Uani 1 1 d . U . . .
H11J H 0.3889 0.3023 0.2305 0.267 Uiso 1 1 calc R U . . .
H11K H 0.3598 0.2869 0.2657 0.267 Uiso 1 1 calc R U . . .
H11L H 0.3223 0.2774 0.2191 0.267 Uiso 1 1 calc R U . . .
C236 C 0.8682(8) 0.4642(6) 0.0355(6) 0.148(9) Uani 1 1 d D U . . .
H23S H 0.8802 0.4585 0.0087 0.222 Uiso 1 1 calc R U . . .
H23T H 0.8775 0.4392 0.0492 0.222 Uiso 1 1 calc R U . . .
H23U H 0.8906 0.4911 0.0527 0.222 Uiso 1 1 calc R U . . .
C235 C 0.7881(10) 0.5041(6) 0.0004(6) 0.148(9) Uani 1 1 d D U . . .
H23V H 0.7444 0.5077 -0.0071 0.223 Uiso 1 1 calc R U . . .
H23W H 0.8036 0.4935 -0.0246 0.223 Uiso 1 1 calc R U . . .
H23X H 0.8095 0.5325 0.0147 0.223 Uiso 1 1 calc R U . . .
C478 C 0.6102(8) -0.1148(6) -0.5556(6) 0.137(9) Uani 1 1 d D U . . .
H47D H 0.6227 -0.1451 -0.5595 0.206 Uiso 1 1 calc R U . . .
H47E H 0.5772 -0.1120 -0.5786 0.206 Uiso 1 1 calc R U . . .
H47F H 0.5958 -0.1078 -0.5297 0.206 Uiso 1 1 calc R U . . .
C120 C 0.8042(8) 0.5799(6) 0.1945(4) 0.174(11) Uani 1 1 d D U . . .
H12J H 0.8299 0.5682 0.1753 0.262 Uiso 1 1 calc R U . . .
H12K H 0.8137 0.6118 0.2038 0.262 Uiso 1 1 calc R U . . .
H12L H 0.7612 0.5742 0.1807 0.262 Uiso 1 1 calc R U . . .
C88 C 0.7494(8) 0.1423(6) 0.0721(5) 0.101(7) Uani 1 1 d . U . . .
H88A H 0.7570 0.1482 0.0460 0.151 Uiso 1 1 calc R U . . .
H88B H 0.7707 0.1166 0.0787 0.151 Uiso 1 1 calc R U . . .
H88C H 0.7644 0.1681 0.0941 0.151 Uiso 1 1 calc R U . . .
C371 C 0.2687(9) 0.2333(5) -0.4483(6) 0.135(7) Uani 1 1 d D U . . .
H37D H 0.2242 0.2302 -0.4532 0.202 Uiso 1 1 calc R U . . .
H37E H 0.2857 0.2156 -0.4282 0.202 Uiso 1 1 calc R U . . .
H37F H 0.2820 0.2230 -0.4742 0.202 Uiso 1 1 calc R U . . .
C360 C 0.3044(11) 0.2619(4) -0.2794(6) 0.226(14) Uani 1 1 d D U . . .
H36P H 0.2943 0.2657 -0.2521 0.338 Uiso 1 1 calc R U . . .
H36Q H 0.2673 0.2625 -0.3001 0.338 Uiso 1 1 calc R U . . .
H36R H 0.3337 0.2859 -0.2798 0.338 Uiso 1 1 calc R U . . .
C358 C 0.3369(10) 0.1959(6) -0.2508(4) 0.197(12) Uani 1 1 d D U . . .
H35S H 0.3735 0.1795 -0.2474 0.296 Uiso 1 1 calc R U . . .
H35T H 0.3008 0.1758 -0.2542 0.296 Uiso 1 1 calc R U . . .
H35U H 0.3392 0.2192 -0.2263 0.296 Uiso 1 1 calc R U . . .
C370 C 0.2546(9) 0.3008(7) -0.3983(6) 0.159(8) Uani 1 1 d D U . . .
H37G H 0.2688 0.3316 -0.3862 0.239 Uiso 1 1 calc R U . . .
H37H H 0.2606 0.2832 -0.3767 0.239 Uiso 1 1 calc R U . . .
H37I H 0.2112 0.2990 -0.4111 0.239 Uiso 1 1 calc R U . . .
C477 C 0.6651(8) -0.0824(3) -0.5540(5) 0.102(7) Uani 1 1 d D U . . .
C357 C 0.3325(5) 0.2171(5) -0.2892(4) 0.114(8) Uani 1 1 d D U . . .
C214 C 0.4066(7) 0.2442(4) -0.0142(5) 0.076(6) Uani 1 1 d D U . . .
C117 C 0.8163(6) 0.5572(3) 0.2321(4) 0.103(7) Uani 1 1 d D U . . .
I12 I 0.91931(9) 0.13675(6) -0.41575(5) 0.1336(7) Uani 1 1 d . . . . .
I15 I 0.68265(12) 0.54421(6) -0.57205(6) 0.2154(12) Uani 1 1 d . . . . .
C81 C 1.0760(9) 0.3040(6) 0.1956(6) 0.115(8) Uani 1 1 d . U . . .
H81A H 1.0948 0.2781 0.2040 0.172 Uiso 1 1 calc R U . . .
H81B H 1.0957 0.3308 0.2147 0.172 Uiso 1 1 calc R U . . .
H81C H 1.0811 0.3053 0.1677 0.172 Uiso 1 1 calc R U . . .
C354 C 0.9832(9) 0.5528(5) -0.0989(5) 0.112(7) Uani 1 1 d D U . . .
H35V H 1.0196 0.5426 -0.0831 0.168 Uiso 1 1 calc R U . . .
H35W H 0.9468 0.5405 -0.0918 0.168 Uiso 1 1 calc R U . . .
H35X H 0.9847 0.5851 -0.0921 0.168 Uiso 1 1 calc R U . . .
C243 C 0.9500(5) -0.0143(5) -0.1136(4) 0.104(7) Uani 1 1 d D U . . .
H24M H 0.9626 0.0001 -0.1344 0.156 Uiso 1 1 calc R U . . .
H24N H 0.9608 -0.0451 -0.1179 0.156 Uiso 1 1 calc R U . . .
H24O H 0.9708 0.0012 -0.0861 0.156 Uiso 1 1 calc R U . . .
C490 C 0.8414(8) -0.0685(7) -0.6180(5) 0.214(6) Uani 1 1 d D U . . .
H49G H 0.8682 -0.0618 -0.5906 0.322 Uiso 1 1 calc R U . . .
H49H H 0.8388 -0.1004 -0.6289 0.322 Uiso 1 1 calc R U . . .
H49I H 0.8007 -0.0591 -0.6159 0.322 Uiso 1 1 calc R U . . .
C491 C 0.9362(6) -0.0518(7) -0.6418(6) 0.201(7) Uani 1 1 d D U . . .
H49J H 0.9569 -0.0395 -0.6134 0.302 Uiso 1 1 calc R U . . .
H49K H 0.9542 -0.0375 -0.6607 0.302 Uiso 1 1 calc R U . . .
H49L H 0.9408 -0.0836 -0.6480 0.302 Uiso 1 1 calc R U . . .
C244 C 0.8501(6) -0.0500(5) -0.1544(4) 0.137(9) Uani 1 1 d D U . . .
H24P H 0.8059 -0.0517 -0.1566 0.206 Uiso 1 1 calc R U . . .
H24Q H 0.8658 -0.0783 -0.1502 0.206 Uiso 1 1 calc R U . . .
H24R H 0.8596 -0.0432 -0.1797 0.206 Uiso 1 1 calc R U . . .
C27 C 0.7694(7) 0.1384(3) 0.1729(3) 0.064(6) Uani 1 1 d G U . . .
C32 C 0.7277(5) 0.1020(5) 0.1645(3) 0.087(7) Uani 1 1 d G U . . .
C31 C 0.7466(6) 0.0597(4) 0.1546(3) 0.106(6) Uani 1 1 d G U . . .
H31 H 0.7181 0.0348 0.1489 0.127 Uiso 1 1 calc R U . . .
C30 C 0.8073(7) 0.0538(3) 0.1532(3) 0.133(7) Uani 1 1 d DG U . . .
C29 C 0.8491(5) 0.0902(5) 0.1616(4) 0.114(6) Uani 1 1 d G U . . .
H29 H 0.8905 0.0862 0.1606 0.136 Uiso 1 1 calc R U . . .
C28 C 0.8301(6) 0.1325(4) 0.1715(3) 0.070(6) Uani 1 1 d DG U . . .
C225 C 0.2003(4) 0.1688(5) -0.0461(4) 0.157(10) Uiso 1 1 d D . . . .
C492 C 0.8368(8) -0.0663(7) -0.6918(4) 0.213(7) Uani 1 1 d D U . . .
H49M H 0.8463 -0.0483 -0.7111 0.319 Uiso 1 1 calc R U . . .
H49N H 0.7926 -0.0693 -0.6942 0.319 Uiso 1 1 calc R U . . .
H49O H 0.8520 -0.0956 -0.6984 0.319 Uiso 1 1 calc R U . . .
C242 C 0.8653(7) -0.0264(6) -0.0782(4) 0.156(10) Uani 1 1 d D U . . .
H24S H 0.8981 -0.0144 -0.0545 0.234 Uiso 1 1 calc R U . . .
H24T H 0.8614 -0.0587 -0.0821 0.234 Uiso 1 1 calc R U . . .
H24U H 0.8269 -0.0145 -0.0733 0.234 Uiso 1 1 calc R U . . .
C132 C 0.6530(6) 0.0458(4) -0.0531(3) 0.067(6) Uani 1 1 d DG U . . .
C131 C 0.5916(7) 0.0529(3) -0.0564(3) 0.082(6) Uani 1 1 d G U . . .
C136 C 0.5482(4) 0.0173(5) -0.0685(3) 0.078(6) Uani 1 1 d G U . . .
C135 C 0.5662(6) -0.0254(4) -0.0771(3) 0.079(6) Uani 1 1 d G U . . .
H135 H 0.5366 -0.0497 -0.0854 0.095 Uiso 1 1 calc R U . . .
C134 C 0.6277(7) -0.0325(3) -0.0738(3) 0.068(6) Uani 1 1 d DG U . . .
C133 C 0.6710(4) 0.0031(5) -0.0617(3) 0.094(7) Uani 1 1 d G U . . .
H133 H 0.7130 -0.0018 -0.0594 0.113 Uiso 1 1 calc R U . . .
C480 C 0.6867(11) -0.0972(7) -0.5949(6) 0.185(11) Uani 1 1 d D U . . .
H48J H 0.7276 -0.1077 -0.5891 0.277 Uiso 1 1 calc R U . . .
H48K H 0.6878 -0.0721 -0.6088 0.277 Uiso 1 1 calc R U . . .
H48L H 0.6585 -0.1210 -0.6127 0.277 Uiso 1 1 calc R U . . .
C431 C 0.8577(8) 0.0064(3) -0.6387(3) 0.127(9) Uani 1 1 d DG U . . .
C430 C 0.9036(5) 0.0398(5) -0.6321(3) 0.113(8) Uani 1 1 d G U . . .
H430 H 0.9446 0.0327 -0.6310 0.136 Uiso 1 1 calc R U . . .
C429 C 0.8894(6) 0.0837(4) -0.6270(3) 0.083(6) Uani 1 1 d G U . . .
C414 C 0.8294(8) 0.0941(3) -0.6285(3) 0.076(6) Uani 1 1 d G U . . .
C413 C 0.7835(5) 0.0607(6) -0.6352(3) 0.096(7) Uani 1 1 d DG U . . .
C432 C 0.7977(6) 0.0168(4) -0.6403(3) 0.112(8) Uani 1 1 d G U . . .
H432 H 0.7663 -0.0060 -0.6448 0.135 Uiso 1 1 calc R U . . .
C241 C 0.8802(6) -0.0131(3) -0.1174(3) 0.140(9) Uani 1 1 d D U . . .
C489 C 0.8676(7) -0.0436(3) -0.6473(4) 0.208(6) Uani 1 1 d D U . . .
C496 C 1.1534(8) 0.3348(6) -0.5637(6) 0.204(9) Uani 1 1 d D U . . .
H49P H 1.1550 0.3199 -0.5917 0.306 Uiso 1 1 calc R U . . .
H49Q H 1.1545 0.3129 -0.5460 0.306 Uiso 1 1 calc R U . . .
H49R H 1.1885 0.3564 -0.5528 0.306 Uiso 1 1 calc R U . . .
C481 C 0.8937(6) 0.4575(4) -0.4943(5) 0.189(9) Uani 1 1 d D U . . .
C362 C 0.7888(9) -0.0139(6) -0.3559(6) 0.139(9) Uani 1 1 d D U . . .
H36S H 0.7955 -0.0051 -0.3259 0.208 Uiso 1 1 calc R U . . .
H36T H 0.8124 -0.0392 -0.3632 0.208 Uiso 1 1 calc R U . . .
H36U H 0.7455 -0.0221 -0.3672 0.208 Uiso 1 1 calc R U . . .
C118 C 0.8859(6) 0.5628(5) 0.2496(5) 0.140(9) Uani 1 1 d D U . . .
H11M H 0.8946 0.5540 0.2764 0.211 Uiso 1 1 calc R U . . .
H11N H 0.9003 0.5937 0.2528 0.211 Uiso 1 1 calc R U . . .
H11O H 0.9067 0.5441 0.2305 0.211 Uiso 1 1 calc R U . . .
C113 C 0.8288(7) 0.0110(4) 0.1300(4) 0.32(2) Uiso 1 1 d D . . . .
C114 C 0.8040(8) -0.0252(7) 0.1499(6) 0.162(10) Uiso 1 1 d D . . . .
C115 C 0.8984(7) 0.0069(6) 0.1349(5) 0.113(7) Uiso 1 1 d D . . . .
C116 C 0.8009(10) -0.0011(10) 0.0832(5) 0.39(2) Uiso 1 1 d D . . . .
C482 C 0.8709(11) 0.5019(7) -0.4754(7) 0.326(13) Uani 1 1 d D U . . .
H48M H 0.8378 0.5102 -0.4955 0.490 Uiso 1 1 calc R U . . .
H48N H 0.9045 0.5249 -0.4681 0.490 Uiso 1 1 calc R U . . .
H48O H 0.8561 0.4988 -0.4506 0.490 Uiso 1 1 calc R U . . .
I4 I 0.90879(13) 0.09455(10) 0.06594(8) 0.2694(15) Uani 1 1 d . . . . .
C473 C 0.2256(3) 0.1754(4) -0.5789(4) 0.123(8) Uani 1 1 d D U . . .
C226 C 0.1804(11) 0.1452(6) -0.0138(5) 0.195(12) Uiso 1 1 d D . . . .
C484 C 0.9533(9) 0.4508(7) -0.4648(6) 0.255(11) Uani 1 1 d D U . . .
H48P H 0.9436 0.4430 -0.4399 0.383 Uiso 1 1 calc R U . . .
H48Q H 0.9798 0.4782 -0.4573 0.383 Uiso 1 1 calc R U . . .
H48R H 0.9743 0.4270 -0.4785 0.383 Uiso 1 1 calc R U . . .
C227 C 0.1604(10) 0.1472(6) -0.0886(4) 0.169(10) Uiso 1 1 d D . . . .
C228 C 0.1830(11) 0.2172(4) -0.0364(6) 0.191(11) Uiso 1 1 d D . . . .
C483 C 0.9112(10) 0.4635(8) -0.5352(4) 0.237(11) Uani 1 1 d D U . . .
H48S H 0.8869 0.4419 -0.5581 0.355 Uiso 1 1 calc R U . . .
H48T H 0.9545 0.4591 -0.5337 0.355 Uiso 1 1 calc R U . . .
H48U H 0.9032 0.4934 -0.5396 0.355 Uiso 1 1 calc R U . . .
C475 C 0.2061(9) 0.1593(5) -0.6261(3) 0.146(9) Uani 1 1 d D U . . .
H47G H 0.2211 0.1811 -0.6401 0.220 Uiso 1 1 calc R U . . .
H47H H 0.1615 0.1555 -0.6340 0.220 Uiso 1 1 calc R U . . .
H47I H 0.2232 0.1310 -0.6342 0.220 Uiso 1 1 calc R U . . .
C476 C 0.1999(8) 0.2211(3) -0.5684(4) 0.108(7) Uani 1 1 d D U . . .
H47J H 0.2123 0.2328 -0.5388 0.161 Uiso 1 1 calc R U . . .
H47K H 0.1554 0.2180 -0.5764 0.161 Uiso 1 1 calc R U . . .
H47L H 0.2159 0.2414 -0.5835 0.161 Uiso 1 1 calc R U . . .
C474 C 0.1923(8) 0.1434(4) -0.5588(4) 0.130(8) Uani 1 1 d D U . . .
H47M H 0.1889 0.1135 -0.5755 0.195 Uiso 1 1 calc R U . . .
H47N H 0.1516 0.1530 -0.5572 0.195 Uiso 1 1 calc R U . . .
H47O H 0.2156 0.1434 -0.5310 0.195 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0021 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.5508 2.2366 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0063 0.0043 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C396 N395 H395 127.2 . . ?
C396 N395 C394 105.6(13) . . ?
C394 N395 H395 127.2 . . ?
C417 N418 H418 124.9 . . ?
C419 N418 H418 124.9 . . ?
C419 N418 C417 110.2(16) . . ?
C324 C325 C344 120.0(18) . . ?
C324 C325 C326 118.4(18) . . ?
C326 C325 C344 121.6(18) . . ?
C253 N254 H254 124.8 . . ?
C255 N254 H254 124.8 . . ?
C255 N254 C253 110.3(12) . . ?
C293 N294 H294 125.6 . . ?
C295 N294 H294 125.6 . . ?
C295 N294 C293 108.8(15) . . ?
C5 N6 H6 127.0 . . ?
C5 N6 C7 106.0(13) . . ?
C7 N6 H6 127.0 . . ?
C399 N398 H398 124.7 . . ?
C397 N398 H398 124.7 . . ?
C397 N398 C399 110.7(14) . . ?
C324 N323 C328 119.4(18) . . ?
C324 N323 C329 117.5(19) . . ?
C329 N323 C328 122.5(18) . . ?
C452 N447 C453 123.5(17) . . ?
C452 N447 C448 120.8(18) . . ?
C448 N447 C453 115.3(17) . . ?
C252 N251 H251 127.1 . . ?
C250 N251 H251 127.1 . . ?
C250 N251 C252 105.8(13) . . ?
C128 N127 H127 125.7 . . ?
C126 N127 H127 125.7 . . ?
C126 N127 C128 108.6(15) . . ?
C171 N170 H170 126.3 . . ?
C171 N170 C169 107.4(13) . . ?
C169 N170 H170 126.3 . . ?
C273 N274 H274 127.2 . . ?
C273 N274 C275 105.6(14) . . ?
C275 N274 H274 127.2 . . ?
C168 N167 H167 127.8 . . ?
C166 N167 H167 127.8 . . ?
C166 N167 C168 104.3(13) . . ?
C272 N271 H271 126.7 . . ?
C270 N271 H271 126.7 . . ?
C270 N271 C272 106.6(14) . . ?
N398 C399 C404 105.4(18) . . ?
C400 C399 N398 134.9(18) . . ?
C400 C399 C404 119.4(18) . . ?
C416 N415 H415 124.8 . . ?
C416 N415 C414 110.3(16) . . ?
C414 N415 H415 124.8 . . ?
C416 C417 N418 131(2) . . ?
C416 C417 C425 123(2) . . ?
C425 C417 N418 105.8(19) . . ?
C4 N3 H3 129.0 . . ?
C4 N3 C2 102.1(12) . . ?
C2 N3 H3 129.0 . . ?
C377 N378 H378 125.5 . . ?
C377 N378 C379 109.0(13) . . ?
C379 N378 H378 125.5 . . ?
C5 C13 C14 120.0 . . ?
C5 C13 C12 108.3(12) . . ?
C14 C13 C12 131.7(12) . . ?
C13 C5 N6 109.2(13) . . ?
C13 C5 C4 120.0 . . ?
C4 C5 N6 130.8(13) . . ?
C5 C4 N3 128.2(13) . . ?
C16 C4 N3 111.8(13) . . ?
C16 C4 C5 120.0 . . ?
C4 C16 C15 120.0 . . ?
C4 C16 C17 108.2(12) . . ?
C15 C16 C17 131.7(12) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C455 N454 C460 113(2) . . ?
C459 N454 C455 123(2) . . ?
C459 N454 C460 123(2) . . ?
N274 C273 C272 127.8(11) . . ?
N274 C273 C281 112.1(11) . . ?
C272 C273 C281 120.0 . . ?
C273 C272 N271 131.8(12) . . ?
C284 C272 N271 108.2(12) . . ?
C284 C272 C273 120.0 . . ?
C272 C284 C283 120.0 . . ?
C285 C284 C272 107.7(13) . . ?
C285 C284 C283 132.0(13) . . ?
C284 C283 H283 120.0 . . ?
C284 C283 C282 120.0 . . ?
C282 C283 H283 120.0 . . ?
C283 C282 H282 120.0 . . ?
C283 C282 C281 120.0 . . ?
C281 C282 H282 120.0 . . ?
C273 C281 C280 105.5(13) . . ?
C282 C281 C273 120.0 . . ?
C282 C281 C280 134.5(13) . . ?
C146 N147 H147 125.9 . . ?
C146 N147 C148 108.2(11) . . ?
C148 N147 H147 125.9 . . ?
C42 N43 H43 125.8 . . ?
C44 N43 H43 125.8 . . ?
C44 N43 C42 108.4(13) . . ?
C22 N23 H23 125.1 . . ?
C22 N23 C24 109.8(14) . . ?
C24 N23 H23 125.1 . . ?
N170 C171 C176 113.6(13) . . ?
N170 C171 C172 126.3(13) . . ?
C176 C171 C172 120.0 . . ?
C171 C176 C177 101.1(12) . . ?
C175 C176 C171 120.0 . . ?
C175 C176 C177 138.8(12) . . ?
C176 C175 H175 120.0 . . ?
C176 C175 C174 120.0 . . ?
C174 C175 H175 120.0 . . ?
C175 C174 C245 115.3(13) . . ?
C173 C174 C175 120.0 . . ?
C173 C174 C245 124.3(13) . . ?
C174 C173 H173 120.0 . . ?
C174 C173 C172 120.0 . . ?
C172 C173 H173 120.0 . . ?
C171 C172 C223 123.5(13) . . ?
C173 C172 C171 120.0 . . ?
C173 C172 C223 116.4(13) . . ?
N147 C146 C145 130.3(10) . . ?
N147 C146 C161 109.7(10) . . ?
C145 C146 C161 120.0 . . ?
C146 C145 C218 120.5(11) . . ?
C164 C145 C146 120.0 . . ?
C164 C145 C218 119.3(11) . . ?
C145 C164 H164 120.0 . . ?
C145 C164 C163 120.0 . . ?
C163 C164 H164 120.0 . . ?
C164 C163 C233 121.9(11) . . ?
C162 C163 C164 120.0 . . ?
C162 C163 C233 118.0(11) . . ?
C163 C162 H162 120.0 . . ?
C163 C162 C161 120.0 . . ?
C161 C162 H162 120.0 . . ?
C146 C161 C160 106.1(10) . . ?
C162 C161 C146 120.0 . . ?
C162 C161 C160 133.9(10) . . ?
N415 C416 C417 134(2) . . ?
N415 C416 C428 109.1(19) . . ?
C417 C416 C428 117(2) . . ?
C374 N375 H375 127.7 . . ?
C374 N375 C376 104.6(13) . . ?
C376 N375 H375 127.7 . . ?
C340 C339 C256 173(2) . . ?
C275 C276 C343 121.7(19) . . ?
C275 C276 C277 117(2) . . ?
C277 C276 C343 121(2) . . ?
N323 C328 H328 119.2 . . ?
C327 C328 N323 121.7(18) . . ?
C327 C328 H328 119.2 . . ?
C348 C347 C296 173.2(18) . . ?
C217 C218 C145 174.7(18) . . ?
C91 C92 C70 175(2) . . ?
C467 C468 C449 180(3) . . ?
C149 N150 H150 127.1 . . ?
C151 N150 H150 127.1 . . ?
C151 N150 C149 105.9(11) . . ?
C94 C93 C72 176.7(19) . . ?
C71 C72 C93 122.2(11) . . ?
C71 C72 C73 120.0 . . ?
C73 C72 C93 117.7(11) . . ?
C72 C71 H71 120.0 . . ?
C70 C71 C72 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 C92 120.2(11) . . ?
C71 C70 C69 120.0 . . ?
C69 C70 C92 119.8(11) . . ?
C70 C69 H69 120.0 . . ?
C70 C69 N68 120.0 . . ?
N68 C69 H69 120.0 . . ?
C69 N68 C74 120.4(11) . . ?
C73 N68 C69 120.0 . . ?
C73 N68 C74 119.6(11) . . ?
C72 C73 H73 120.0 . . ?
N68 C73 C72 120.0 . . ?
N68 C73 H73 120.0 . . ?
C129 N130 H130 126.0 . . ?
C129 N130 C131 107.9(15) . . ?
C131 N130 H130 126.0 . . ?
C89 C90 C1 172.3(18) . . ?
H10A C107 H10B 109.5 . . ?
H10A C107 H10C 109.5 . . ?
H10B C107 H10C 109.5 . . ?
C105 C107 H10A 109.5 . . ?
C105 C107 H10B 109.5 . . ?
C105 C107 H10C 109.5 . . ?
C87 N82 C83 120.0 . . ?
C87 N82 C88 122.3(13) . . ?
C83 N82 C88 117.5(13) . . ?
N82 C87 H87 120.0 . . ?
N82 C87 C86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C87 C86 C100 113.3(13) . . ?
C85 C86 C87 120.0 . . ?
C85 C86 C100 126.6(13) . . ?
C86 C85 H85 120.0 . . ?
C86 C85 C84 120.0 . . ?
C84 C85 H85 120.0 . . ?
C85 C84 H84 120.0 . . ?
C85 C84 C83 120.0 . . ?
C83 C84 H84 120.0 . . ?
N82 C83 H83 120.0 . . ?
C84 C83 N82 120.0 . . ?
C84 C83 H83 120.0 . . ?
C1 C2 N3 125.5(11) . . ?
C1 C2 C17 120.0 . . ?
C17 C2 N3 114.3(11) . . ?
C2 C1 C90 123.9(12) . . ?
C20 C1 C90 116.0(12) . . ?
C20 C1 C2 120.0 . . ?
C1 C20 H20 120.0 . . ?
C19 C20 C1 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 C18 120.0 . . ?
C20 C19 C101 121.6(11) . . ?
C18 C19 C101 118.4(11) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C2 C17 C16 103.5(11) . . ?
C18 C17 C16 136.5(11) . . ?
C18 C17 C2 120.0 . . ?
C255 C260 C261 111.6(15) . . ?
C255 C260 C259 120.9(16) . . ?
C259 C260 C261 127.2(18) . . ?
C308 C289 C290 120.0 . . ?
C308 C289 C346 122.4(12) . . ?
C290 C289 C346 117.6(12) . . ?
C289 C308 H308 120.0 . . ?
C307 C308 C289 120.0 . . ?
C307 C308 H308 120.0 . . ?
C308 C307 C365 119.3(10) . . ?
C306 C307 C308 120.0 . . ?
C306 C307 C365 120.4(10) . . ?
C307 C306 H306 120.0 . . ?
C307 C306 C305 120.0 . . ?
C305 C306 H306 120.0 . . ?
C306 C305 C304 131.6(13) . . ?
C290 C305 C306 120.0 . . ?
C290 C305 C304 108.2(12) . . ?
C305 C290 C289 120.0 . . ?
N291 C290 C289 130.3(11) . . ?
N291 C290 C305 109.7(11) . . ?
C264 C252 N251 109.0(11) . . ?
C264 C252 C253 120.0 . . ?
C253 C252 N251 130.9(11) . . ?
C252 C264 C263 120.0 . . ?
C252 C264 C265 107.5(11) . . ?
C263 C264 C265 132.5(11) . . ?
C264 C263 H263 120.0 . . ?
C264 C263 C262 120.0 . . ?
C262 C263 H263 120.0 . . ?
C263 C262 H262 120.0 . . ?
C263 C262 C261 120.0 . . ?
C261 C262 H262 120.0 . . ?
C262 C261 C260 137.5(13) . . ?
C253 C261 C260 102.3(13) . . ?
C253 C261 C262 120.0 . . ?
C252 C253 N254 131.2(10) . . ?
C261 C253 N254 108.8(10) . . ?
C261 C253 C252 120.0 . . ?
C328 C327 C326 116.8(16) . . ?
C328 C327 C345 120.0(19) . . ?
C326 C327 C345 123.2(19) . . ?
H31A C315 H31B 109.5 . . ?
H31A C315 H31C 109.5 . . ?
H31B C315 H31C 109.5 . . ?
N309 C315 H31A 109.5 . . ?
N309 C315 H31B 109.5 . . ?
N309 C315 H31C 109.5 . . ?
C343 C344 C325 177(2) . . ?
C325 C324 N323 120.8(19) . . ?
C325 C324 H324 119.6 . . ?
N323 C324 H324 119.6 . . ?
C399 C404 C405 108.4(17) . . ?
C403 C404 C399 116.3(19) . . ?
C403 C404 C405 135.3(19) . . ?
C417 C425 C426 120.5(19) . . ?
C417 C425 C424 107.3(19) . . ?
C424 C425 C426 132(2) . . ?
C224 C223 C172 176(2) . . ?
C462 C461 C435 177(2) . . ?
C425 C426 H426 121.6 . . ?
C427 C426 C425 117(2) . . ?
C427 C426 H426 121.6 . . ?
C45 N46 H46 126.7 . . ?
C47 N46 H46 126.7 . . ?
C47 N46 C45 106.7(12) . . ?
C292 C304 C305 104.8(16) . . ?
C303 C304 C305 136.5(19) . . ?
C303 C304 C292 118.5(18) . . ?
C339 C340 C318 173(2) . . ?
C338 C337 C311 172(2) . . ?
C180 C168 N167 113.0(13) . . ?
C180 C168 C169 120.0 . . ?
C169 C168 N167 126.7(13) . . ?
C168 C180 C181 102.8(12) . . ?
C179 C180 C168 120.0 . . ?
C179 C180 C181 136.4(12) . . ?
C180 C179 H179 120.0 . . ?
C180 C179 C178 120.0 . . ?
C178 C179 H179 120.0 . . ?
C179 C178 H178 120.0 . . ?
C177 C178 C179 120.0 . . ?
C177 C178 H178 120.0 . . ?
C178 C177 C176 128.0(13) . . ?
C178 C177 C169 120.0 . . ?
C169 C177 C176 111.9(12) . . ?
C168 C169 N170 134.3(13) . . ?
C177 C169 N170 105.7(13) . . ?
C177 C169 C168 120.0 . . ?
C325 C326 C327 122.5(17) . . ?
C325 C326 H326 118.8 . . ?
C327 C326 H326 118.8 . . ?
C461 C462 C373 177.9(16) . . ?
C284 C285 C286 137.0(18) . . ?
C270 C285 C284 108.2(17) . . ?
C270 C285 C286 114.8(17) . . ?
N271 C270 C269 125(2) . . ?
C285 C270 N271 109.0(17) . . ?
C285 C270 C269 126(2) . . ?
C96 C95 C28 174(2) . . ?
C448 C449 C468 118(2) . . ?
C450 C449 C468 124(2) . . ?
C450 C449 C448 119(2) . . ?
C218 C217 C196 169.0(19) . . ?
C341 C342 C269 177(2) . . ?
C92 C91 C8 171.7(19) . . ?
N43 C42 C41 133.5(12) . . ?
N43 C42 C57 106.5(12) . . ?
C41 C42 C57 120.0 . . ?
C42 C41 C60 120.0 . . ?
C42 C41 C98 117.5(13) . . ?
C60 C41 C98 122.4(13) . . ?
C41 C60 H60 120.0 . . ?
C41 C60 C59 120.0 . . ?
C59 C60 H60 120.0 . . ?
C60 C59 C117 118.3(11) . . ?
C58 C59 C60 120.0 . . ?
C58 C59 C117 121.7(11) . . ?
C59 C58 H58 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 H58 120.0 . . ?
C42 C57 C56 110.4(11) . . ?
C58 C57 C42 120.0 . . ?
C58 C57 C56 129.5(11) . . ?
C468 C467 C400 174(2) . . ?
C45 C53 C54 120.0 . . ?
C45 C53 C52 108.4(11) . . ?
C54 C53 C52 131.6(11) . . ?
C53 C45 N46 108.4(11) . . ?
C44 C45 N46 131.5(11) . . ?
C44 C45 C53 120.0 . . ?
N43 C44 C45 128.3(12) . . ?
N43 C44 C56 111.7(12) . . ?
C45 C44 C56 120.0 . . ?
C44 C56 C57 103.0(11) . . ?
C55 C56 C57 137.0(11) . . ?
C55 C56 C44 120.0 . . ?
C56 C55 H55 120.0 . . ?
C56 C55 C54 120.0 . . ?
C54 C55 H55 120.0 . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C223 C224 C210 176(2) . . ?
C374 C389 C390 120.0 . . ?
C374 C389 C388 106.9(12) . . ?
C390 C389 C388 133.0(12) . . ?
N375 C374 C389 111.6(12) . . ?
N375 C374 C373 128.3(12) . . ?
C373 C374 C389 120.0 . . ?
C374 C373 C462 123.0(12) . . ?
C374 C373 C392 120.0 . . ?
C392 C373 C462 117.0(13) . . ?
C373 C392 H392 120.0 . . ?
C373 C392 C391 120.0 . . ?
C391 C392 H392 120.0 . . ?
C392 C391 C473 122.9(11) . . ?
C390 C391 C392 120.0 . . ?
C390 C391 C473 117.1(11) . . ?
C389 C390 H390 120.0 . . ?
C391 C390 C389 120.0 . . ?
C391 C390 H390 120.0 . . ?
C281 C280 C279 135.0(19) . . ?
C281 C280 C275 108.4(18) . . ?
C275 C280 C279 116.3(19) . . ?
C472 C471 C420 172(2) . . ?
N147 C148 C160 109.3(10) . . ?
N147 C148 C149 130.7(10) . . ?
C160 C148 C149 120.0 . . ?
C148 C160 C161 106.6(10) . . ?
C159 C160 C161 133.3(10) . . ?
C159 C160 C148 120.0 . . ?
C160 C159 H159 120.0 . . ?
C158 C159 C160 120.0 . . ?
C158 C159 H159 120.0 . . ?
C159 C158 H158 120.0 . . ?
C159 C158 C157 120.0 . . ?
C157 C158 H158 120.0 . . ?
C158 C157 C149 120.0 . . ?
C158 C157 C156 135.6(11) . . ?
C149 C157 C156 104.4(11) . . ?
N150 C149 C148 127.9(10) . . ?
N150 C149 C157 112.1(10) . . ?
C157 C149 C148 120.0 . . ?
C434 N433 C438 124(2) . . ?
C434 N433 C439 119.7(19) . . ?
C438 N433 C439 116.0(19) . . ?
N378 C377 C376 131.2(11) . . ?
N378 C377 C385 108.7(11) . . ?
C376 C377 C385 120.0 . . ?
C377 C376 N375 129.8(12) . . ?
C388 C376 N375 110.0(12) . . ?
C388 C376 C377 120.0 . . ?
C376 C388 C389 106.2(11) . . ?
C387 C388 C389 133.7(11) . . ?
C387 C388 C376 120.0 . . ?
C388 C387 H387 120.0 . . ?
C388 C387 C386 120.0 . . ?
C386 C387 H387 120.0 . . ?
C387 C386 H386 120.0 . . ?
C385 C386 C387 120.0 . . ?
C385 C386 H386 120.0 . . ?
C377 C385 C384 107.2(11) . . ?
C386 C385 C377 120.0 . . ?
C386 C385 C384 132.8(11) . . ?
C280 C279 H279 120.7 . . ?
C278 C279 C280 118.6(18) . . ?
C278 C279 H279 120.7 . . ?
C344 C343 C276 163(2) . . ?
C342 C269 C270 123(2) . . ?
C288 C269 C270 116(2) . . ?
C288 C269 C342 120(2) . . ?
C202 C203 C204 120.0 . . ?
C202 C203 C221 125.7(11) . . ?
C204 C203 C221 114.3(11) . . ?
C203 C202 H202 120.0 . . ?
C203 C202 C201 120.0 . . ?
C201 C202 H202 120.0 . . ?
C202 C201 C200 120.0 . . ?
C202 C201 C220 119.7(12) . . ?
C200 C201 C220 120.3(12) . . ?
C201 C200 H200 120.0 . . ?
N199 C200 C201 120.0 . . ?
N199 C200 H200 120.0 . . ?
C200 N199 C205 120.4(12) . . ?
C204 N199 C200 120.0 . . ?
C204 N199 C205 119.6(12) . . ?
C203 C204 H204 120.0 . . ?
N199 C204 C203 120.0 . . ?
N199 C204 H204 120.0 . . ?
H36A C368 H36B 109.5 . . ?
H36A C368 H36C 109.5 . . ?
H36B C368 H36C 109.5 . . ?
C365 C368 H36A 109.5 . . ?
C365 C368 H36B 109.5 . . ?
C365 C368 H36C 109.5 . . ?
C222 C221 C203 173.1(19) . . ?
C318 C319 H319 120.0 . . ?
C318 C319 C320 120.0 . . ?
C320 C319 H319 120.0 . . ?
C319 C318 C340 120.0(12) . . ?
C317 C318 C340 120.0(12) . . ?
C317 C318 C319 120.0 . . ?
C318 C317 H317 120.0 . . ?
C318 C317 N316 120.0 . . ?
N316 C317 H317 120.0 . . ?
C317 N316 C322 117.3(12) . . ?
C321 N316 C317 120.0 . . ?
C321 N316 C322 122.6(12) . . ?
N316 C321 H321 120.0 . . ?
N316 C321 C320 120.0 . . ?
C320 C321 H321 120.0 . . ?
C319 C320 C341 126.1(13) . . ?
C321 C320 C319 120.0 . . ?
C321 C320 C341 113.8(13) . . ?
N398 C397 C396 130.9(12) . . ?
N398 C397 C405 109.1(12) . . ?
C396 C397 C405 120.0 . . ?
N395 C396 C397 129.5(12) . . ?
N395 C396 C408 110.4(12) . . ?
C397 C396 C408 120.0 . . ?
C396 C408 C407 120.0 . . ?
C396 C408 C409 107.3(12) . . ?
C407 C408 C409 132.6(12) . . ?
C408 C407 H407 120.0 . . ?
C406 C407 C408 120.0 . . ?
C406 C407 H407 120.0 . . ?
C407 C406 H406 120.0 . . ?
C407 C406 C405 120.0 . . ?
C405 C406 H406 120.0 . . ?
C397 C405 C404 106.4(13) . . ?
C406 C405 C404 133.6(13) . . ?
C406 C405 C397 120.0 . . ?
C402 C485 C486 108.5(15) . . ?
C402 C485 C487 117.6(16) . . ?
C402 C485 C488 108.1(15) . . ?
C486 C485 C487 110.2(16) . . ?
C488 C485 C486 108.2(15) . . ?
C488 C485 C487 103.9(15) . . ?
C368 C365 C307 105.4(11) . . ?
C368 C365 C366 110.7(13) . . ?
C368 C365 C367 105.4(13) . . ?
C366 C365 C307 113.3(11) . . ?
C366 C365 C367 106.7(13) . . ?
C367 C365 C307 115.1(13) . . ?
H12A C123 H12B 109.5 . . ?
H12A C123 H12C 109.5 . . ?
H12B C123 H12C 109.5 . . ?
C121 C123 H12A 109.5 . . ?
C121 C123 H12B 109.5 . . ?
C121 C123 H12C 109.5 . . ?
C77 C78 H78 120.0 . . ?
C77 C78 C79 120.0 . . ?
C79 C78 H78 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 C96 120.3(11) . . ?
C76 C77 C96 119.7(11) . . ?
C77 C76 H76 120.0 . . ?
C77 C76 N75 120.0 . . ?
N75 C76 H76 120.0 . . ?
C76 N75 C81 115.1(12) . . ?
C80 N75 C76 120.0 . . ?
C80 N75 C81 124.9(12) . . ?
N75 C80 H80 120.0 . . ?
N75 C80 C79 120.0 . . ?
C79 C80 H80 120.0 . . ?
C78 C79 C97 122.6(12) . . ?
C80 C79 C78 120.0 . . ?
C80 C79 C97 117.1(11) . . ?
C469 C470 C413 172(2) . . ?
C210 C211 H211 120.0 . . ?
C210 C211 N206 120.0 . . ?
N206 C211 H211 120.0 . . ?
C211 C210 C224 114.1(13) . . ?
C209 C210 C224 125.8(13) . . ?
C209 C210 C211 120.0 . . ?
C210 C209 H209 120.0 . . ?
C208 C209 C210 120.0 . . ?
C208 C209 H209 120.0 . . ?
C209 C208 H208 120.0 . . ?
C209 C208 C207 120.0 . . ?
C207 C208 H208 120.0 . . ?
C208 C207 H207 120.0 . . ?
C208 C207 N206 120.0 . . ?
N206 C207 H207 120.0 . . ?
C211 N206 C212 118.7(13) . . ?
C207 N206 C211 120.0 . . ?
C207 N206 C212 121.2(13) . . ?
C221 C222 C165 176.6(19) . . ?
N185 C186 H186 120.0 . . ?
N185 C186 C187 120.0 . . ?
C187 C186 H186 120.0 . . ?
C186 N185 C191 118.0(14) . . ?
C190 N185 C186 120.0 . . ?
C190 N185 C191 122.0(14) . . ?
N185 C190 H190 120.0 . . ?
N185 C190 C189 120.0 . . ?
C189 C190 H190 120.0 . . ?
C190 C189 H189 120.0 . . ?
C188 C189 C190 120.0 . . ?
C188 C189 H189 120.0 . . ?
C189 C188 H188 120.0 . . ?
C189 C188 C187 120.0 . . ?
C187 C188 H188 120.0 . . ?
C186 C187 C213 114.2(14) . . ?
C188 C187 C186 120.0 . . ?
C188 C187 C213 125.7(14) . . ?
C292 C293 N294 134(2) . . ?
C301 C293 N294 107.9(19) . . ?
C301 C293 C292 117.9(18) . . ?
C98 C97 C79 173(2) . . ?
N274 C275 C280 108.3(19) . . ?
C276 C275 N274 127.2(19) . . ?
C276 C275 C280 124.5(19) . . ?
C455 C456 H456 118.7 . . ?
C457 C456 H456 118.7 . . ?
C457 C456 C455 123(2) . . ?
C93 C94 C21 176.5(19) . . ?
C411 C412 H412 120.0 . . ?
C411 C412 C393 120.0 . . ?
C393 C412 H412 120.0 . . ?
C412 C411 C410 120.0 . . ?
C412 C411 C481 122.5(12) . . ?
C410 C411 C481 117.4(12) . . ?
C411 C410 H410 120.0 . . ?
C411 C410 C409 120.0 . . ?
C409 C410 H410 120.0 . . ?
C410 C409 C408 135.9(12) . . ?
C410 C409 C394 120.0 . . ?
C394 C409 C408 104.1(12) . . ?
N395 C394 C409 112.2(12) . . ?
N395 C394 C393 127.7(12) . . ?
C393 C394 C409 120.0 . . ?
C394 C393 C412 120.0 . . ?
C466 C393 C412 116.8(14) . . ?
C466 C393 C394 123.2(14) . . ?
C466 C465 C444 174(2) . . ?
C399 C400 C467 113.9(19) . . ?
C401 C400 C399 125(2) . . ?
C401 C400 C467 121(2) . . ?
C339 C256 C255 119.0(18) . . ?
C257 C256 C339 120.9(16) . . ?
C257 C256 C255 120.0(18) . . ?
C444 C445 H445 120.0 . . ?
C444 C445 N440 120.0 . . ?
N440 C445 H445 120.0 . . ?
C445 C444 C465 116.4(14) . . ?
C445 C444 C443 120.0 . . ?
C443 C444 C465 123.6(14) . . ?
C444 C443 H443 120.0 . . ?
C442 C443 C444 120.0 . . ?
C442 C443 H443 120.0 . . ?
C443 C442 C441 120.0 . . ?
C443 C442 C464 123.2(13) . . ?
C441 C442 C464 116.8(13) . . ?
C442 C441 H441 120.0 . . ?
N440 C441 C442 120.0 . . ?
N440 C441 H441 120.0 . . ?
C445 N440 C446 122.6(13) . . ?
C441 N440 C445 120.0 . . ?
C441 N440 C446 117.3(13) . . ?
C268 C249 C250 120.0 . . ?
C268 C249 C338 117.9(13) . . ?
C250 C249 C338 122.1(13) . . ?
C249 C268 H268 120.0 . . ?
C249 C268 C267 120.0 . . ?
C267 C268 H268 120.0 . . ?
C268 C267 C349 118.5(11) . . ?
C266 C267 C268 120.0 . . ?
C266 C267 C349 121.5(11) . . ?
C267 C266 H266 120.0 . . ?
C267 C266 C265 120.0 . . ?
C265 C266 H266 120.0 . . ?
C266 C265 C264 134.3(11) . . ?
C250 C265 C264 105.7(11) . . ?
C250 C265 C266 120.0 . . ?
N251 C250 C249 128.0(12) . . ?
N251 C250 C265 112.0(12) . . ?
C265 C250 C249 120.0 . . ?
C400 C401 H401 123.5 . . ?
C400 C401 C402 113.0(19) . . ?
C402 C401 H401 123.5 . . ?
C216 C215 C132 176(2) . . ?
C97 C98 C41 176(2) . . ?
C420 C421 H421 120.0 . . ?
C420 C421 C422 120.0 . . ?
C422 C421 H421 120.0 . . ?
C421 C420 C471 117.7(13) . . ?
C421 C420 C419 120.0 . . ?
C419 C420 C471 122.3(13) . . ?
N418 C419 C420 131.0(14) . . ?
N418 C419 C424 108.8(14) . . ?
C424 C419 C420 120.0 . . ?
C419 C424 C425 107.6(15) . . ?
C419 C424 C423 120.0 . . ?
C423 C424 C425 132.4(15) . . ?
C424 C423 H423 120.0 . . ?
C422 C423 C424 120.0 . . ?
C422 C423 H423 120.0 . . ?
C421 C422 C493 119.6(12) . . ?
C423 C422 C421 120.0 . . ?
C423 C422 C493 119.0(12) . . ?
C436 C435 C461 124(2) . . ?
C434 C435 C461 116(2) . . ?
C434 C435 C436 119.7(19) . . ?
C256 C257 H257 120.1 . . ?
C256 C257 C258 119.8(16) . . ?
C258 C257 H257 120.1 . . ?
C463 C464 C442 176(2) . . ?
H47A C479 H47B 109.5 . . ?
H47A C479 H47C 109.5 . . ?
H47B C479 H47C 109.5 . . ?
C477 C479 H47A 109.5 . . ?
C477 C479 H47B 109.5 . . ?
C477 C479 H47C 109.5 . . ?
C195 C196 C217 122.2(12) . . ?
C195 C196 C197 120.0 . . ?
C197 C196 C217 117.8(12) . . ?
C196 C195 H195 120.0 . . ?
C196 C195 C194 120.0 . . ?
C194 C195 H195 120.0 . . ?
C195 C194 C216 122.3(13) . . ?
C193 C194 C195 120.0 . . ?
C193 C194 C216 117.7(13) . . ?
C194 C193 H193 120.0 . . ?
C194 C193 N192 120.0 . . ?
N192 C193 H193 120.0 . . ?
C193 N192 C198 119.7(13) . . ?
C197 N192 C193 120.0 . . ?
C197 N192 C198 120.3(13) . . ?
C196 C197 H197 120.0 . . ?
N192 C197 C196 120.0 . . ?
N192 C197 H197 120.0 . . ?
C295 C296 C347 122.0(13) . . ?
C295 C296 C297 120.0 . . ?
C297 C296 C347 117.9(13) . . ?
N294 C295 C296 130.2(12) . . ?
N294 C295 C300 109.8(12) . . ?
C300 C295 C296 120.0 . . ?
C295 C300 C299 120.0 . . ?
C295 C300 C301 104.6(13) . . ?
C299 C300 C301 135.4(13) . . ?
C300 C299 H299 120.0 . . ?
C298 C299 C300 120.0 . . ?
C298 C299 H299 120.0 . . ?
C299 C298 C297 120.0 . . ?
C299 C298 C369 116.8(12) . . ?
C297 C298 C369 123.2(12) . . ?
C296 C297 H297 120.0 . . ?
C298 C297 C296 120.0 . . ?
C298 C297 H297 120.0 . . ?
C314 N309 C315 119.6(12) . . ?
C314 N309 C310 120.0 . . ?
C310 N309 C315 119.7(12) . . ?
N309 C314 H314 120.0 . . ?
C313 C314 N309 120.0 . . ?
C313 C314 H314 120.0 . . ?
C314 C313 H313 120.0 . . ?
C312 C313 C314 120.0 . . ?
C312 C313 H313 120.0 . . ?
C313 C312 H312 120.0 . . ?
C313 C312 C311 120.0 . . ?
C311 C312 H312 120.0 . . ?
C312 C311 C337 122.0(12) . . ?
C312 C311 C310 120.0 . . ?
C310 C311 C337 117.9(12) . . ?
N309 C310 H310 120.0 . . ?
C311 C310 N309 120.0 . . ?
C311 C310 H310 120.0 . . ?
C401 C402 C485 114.0(19) . . ?
C403 C402 C485 125(2) . . ?
C403 C402 C401 121(2) . . ?
N254 C255 C260 106.7(12) . . ?
N254 C255 C256 132.8(18) . . ?
C260 C255 C256 120.0(16) . . ?
N447 C452 H452 116.7 . . ?
N447 C452 C451 126.7(16) . . ?
C451 C452 H452 116.7 . . ?
N23 C22 C21 130.3(12) . . ?
N23 C22 C37 108.8(12) . . ?
C21 C22 C37 120.0 . . ?
C22 C21 C94 118.7(12) . . ?
C22 C21 C40 120.0 . . ?
C40 C21 C94 121.1(12) . . ?
C21 C40 H40 120.0 . . ?
C21 C40 C39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C39 C109 120.7(13) . . ?
C38 C39 C40 120.0 . . ?
C38 C39 C109 118.9(13) . . ?
C39 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C22 C37 C36 106.5(12) . . ?
C38 C37 C22 120.0 . . ?
C38 C37 C36 133.2(12) . . ?
C485 C486 H48A 109.5 . . ?
C485 C486 H48B 109.5 . . ?
C485 C486 H48C 109.5 . . ?
H48A C486 H48B 109.5 . . ?
H48A C486 H48C 109.5 . . ?
H48B C486 H48C 109.5 . . ?
C154 C237 C238 111.7(13) . . ?
C154 C237 C239 112.9(14) . . ?
C154 C237 C240 108.9(14) . . ?
C239 C237 C238 107.5(15) . . ?
C240 C237 C238 109.9(15) . . ?
C240 C237 C239 105.7(14) . . ?
C290 N291 H291 126.3 . . ?
C290 N291 C292 107.4(10) . . ?
C292 N291 H291 126.3 . . ?
C384 C379 N378 107.5(12) . . ?
C384 C379 C380 120.0 . . ?
C380 C379 N378 132.3(12) . . ?
C379 C384 C385 107.3(12) . . ?
C379 C384 C383 120.0 . . ?
C383 C384 C385 132.7(12) . . ?
C384 C383 H383 120.0 . . ?
C382 C383 C384 120.0 . . ?
C382 C383 H383 120.0 . . ?
C383 C382 C381 120.0 . . ?
C383 C382 C477 121.0(12) . . ?
C381 C382 C477 118.9(12) . . ?
C382 C381 H381 120.0 . . ?
C382 C381 C380 120.0 . . ?
C380 C381 H381 120.0 . . ?
C379 C380 C463 119.1(13) . . ?
C381 C380 C379 120.0 . . ?
C381 C380 C463 120.8(13) . . ?
C464 C463 C380 174.5(19) . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 C99 116.1(12) . . ?
C47 C48 C99 123.5(12) . . ?
C48 C47 N46 130.7(11) . . ?
C52 C47 N46 109.3(11) . . ?
C52 C47 C48 120.0 . . ?
C47 C52 C53 107.0(11) . . ?
C47 C52 C51 120.0 . . ?
C51 C52 C53 132.9(11) . . ?
C52 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C50 C51 H51 120.0 . . ?
C49 C50 C121 121.5(12) . . ?
C51 C50 C49 120.0 . . ?
C51 C50 C121 118.5(12) . . ?
C337 C338 C249 177(2) . . ?
C471 C472 C458 173(2) . . ?
C435 C436 H436 118.6 . . ?
C435 C436 C437 123(2) . . ?
C437 C436 H436 118.6 . . ?
C331 C332 H332 120.0 . . ?
C331 C332 C333 120.0 . . ?
C333 C332 H332 120.0 . . ?
C332 C331 H331 120.0 . . ?
N330 C331 C332 120.0 . . ?
N330 C331 H331 120.0 . . ?
C331 N330 C335 120.0 . . ?
C331 N330 C336 120.4(12) . . ?
C335 N330 C336 119.4(12) . . ?
N330 C335 H335 120.0 . . ?
C334 C335 N330 120.0 . . ?
C334 C335 H335 120.0 . . ?
C335 C334 C333 120.0 . . ?
C335 C334 C348 115.5(13) . . ?
C333 C334 C348 124.4(13) . . ?
C332 C333 H333 120.0 . . ?
C334 C333 C332 120.0 . . ?
C334 C333 H333 120.0 . . ?
C24 C25 C33 120.0 . . ?
N26 C25 C24 130.4(12) . . ?
N26 C25 C33 109.4(12) . . ?
C25 C24 N23 132.7(12) . . ?
C36 C24 N23 107.2(12) . . ?
C36 C24 C25 120.0 . . ?
C24 C36 C37 107.4(12) . . ?
C24 C36 C35 120.0 . . ?
C35 C36 C37 132.5(12) . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C33 C34 H34 120.0 . . ?
C25 C33 C32 104.4(12) . . ?
C34 C33 C25 120.0 . . ?
C34 C33 C32 135.0(12) . . ?
C95 C96 C77 171(2) . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
N61 C67 H67A 109.5 . . ?
N61 C67 H67B 109.5 . . ?
N61 C67 H67C 109.5 . . ?
C469 C451 C452 120.9(18) . . ?
C469 C451 C450 127.3(19) . . ?
C450 C451 C452 111.8(13) . . ?
C293 C292 C304 121.9(16) . . ?
C293 C292 N291 128.0(19) . . ?
N291 C292 C304 109.8(13) . . ?
C342 C341 C320 171(2) . . ?
C100 C99 C48 173(2) . . ?
C426 C427 H427 117.5 . . ?
C426 C427 C428 125(2) . . ?
C428 C427 H427 117.5 . . ?
C220 C219 C152 170(2) . . ?
C219 C220 C201 176(2) . . ?
C104 C101 C19 108.4(12) . . ?
C103 C101 C19 112.4(13) . . ?
C103 C101 C104 106.4(14) . . ?
C102 C101 C19 111.2(12) . . ?
C102 C101 C104 110.7(14) . . ?
C102 C101 C103 107.6(14) . . ?
C304 C303 H303 118.6 . . ?
C302 C303 C304 123(2) . . ?
C302 C303 H303 118.6 . . ?
C99 C100 C86 174.6(19) . . ?
C404 C403 H403 117.6 . . ?
C402 C403 C404 125(2) . . ?
C402 C403 H403 117.6 . . ?
C470 C469 C451 173(2) . . ?
H12D C124 H12E 109.5 . . ?
H12D C124 H12F 109.5 . . ?
H12E C124 H12F 109.5 . . ?
C121 C124 H12D 109.5 . . ?
C121 C124 H12E 109.5 . . ?
C121 C124 H12F 109.5 . . ?
H11A C111 H11B 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C109 C111 H11A 109.5 . . ?
C109 C111 H11B 109.5 . . ?
C109 C111 H11C 109.5 . . ?
C303 C302 H302 121.2 . . ?
C303 C302 C301 118(2) . . ?
C301 C302 H302 121.2 . . ?
N447 C453 H45A 109.5 . . ?
N447 C453 H45B 109.5 . . ?
N447 C453 H45C 109.5 . . ?
H45A C453 H45B 109.5 . . ?
H45A C453 H45C 109.5 . . ?
H45B C453 H45C 109.5 . . ?
C363 C361 C278 115.8(16) . . ?
C364 C361 C363 109.3(15) . . ?
C364 C361 C278 108.9(14) . . ?
C362 C361 C363 107.9(16) . . ?
C362 C361 C278 110.0(15) . . ?
C362 C361 C364 104.3(15) . . ?
N454 C455 H455 122.7 . . ?
C456 C455 N454 115(2) . . ?
C456 C455 H455 122.7 . . ?
H10D C106 H10E 109.5 . . ?
H10D C106 H10F 109.5 . . ?
H10E C106 H10F 109.5 . . ?
C105 C106 H10D 109.5 . . ?
C105 C106 H10E 109.5 . . ?
C105 C106 H10F 109.5 . . ?
C436 C437 H437 120.9 . . ?
C438 C437 C436 118(2) . . ?
C438 C437 H437 120.9 . . ?
C293 C301 C300 108.8(16) . . ?
C293 C301 C302 120.5(19) . . ?
C300 C301 C302 130.4(18) . . ?
C25 N26 H26 124.5 . . ?
C25 N26 C27 111.0(14) . . ?
C27 N26 H26 124.5 . . ?
N454 C460 H46A 109.5 . . ?
N454 C460 H46B 109.5 . . ?
N454 C460 H46C 109.5 . . ?
H46A C460 H46B 109.5 . . ?
H46A C460 H46C 109.5 . . ?
H46B C460 H46C 109.5 . . ?
N68 C74 H74A 109.5 . . ?
N68 C74 H74B 109.5 . . ?
N68 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N454 C459 H459 117.9 . . ?
C458 C459 N454 124(2) . . ?
C458 C459 H459 117.9 . . ?
N447 C448 C449 116.9(19) . . ?
N447 C448 H448 121.6 . . ?
C449 C448 H448 121.6 . . ?
C269 C288 H288 118.9 . . ?
C269 C288 C287 122.3(18) . . ?
C287 C288 H288 118.9 . . ?
C215 C216 C194 176(2) . . ?
C12 C7 N6 110.7(12) . . ?
C12 C7 C8 120.0 . . ?
C8 C7 N6 129.3(12) . . ?
C7 C12 C13 105.8(12) . . ?
C11 C12 C13 134.2(12) . . ?
C11 C12 C7 120.0 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 C105 118.1(11) . . ?
C9 C10 C11 120.0 . . ?
C9 C10 C105 121.7(11) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 C91 122.7(12) . . ?
C9 C8 C91 117.3(12) . . ?
C9 C8 C7 120.0 . . ?
C107 C105 C106 107.8(13) . . ?
C107 C105 C10 108.2(12) . . ?
C107 C105 C108 109.3(12) . . ?
C106 C105 C10 110.0(12) . . ?
C108 C105 C106 113.4(14) . . ?
C108 C105 C10 108.1(12) . . ?
C231 C229 C134 107.1(11) . . ?
C230 C229 C231 102.1(13) . . ?
C230 C229 C232 115.6(14) . . ?
C230 C229 C134 114.3(12) . . ?
C232 C229 C231 103.8(13) . . ?
C232 C229 C134 112.2(12) . . ?
C65 C66 H66 120.0 . . ?
C65 C66 N61 120.0 . . ?
N61 C66 H66 120.0 . . ?
C66 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C65 C64 C63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C64 C63 C89 120.1(12) . . ?
C62 C63 C64 120.0 . . ?
C62 C63 C89 119.4(12) . . ?
C63 C62 H62 120.0 . . ?
N61 C62 C63 120.0 . . ?
N61 C62 H62 120.0 . . ?
C66 N61 C67 120.8(12) . . ?
C62 N61 C67 119.2(12) . . ?
C62 N61 C66 120.0 . . ?
C449 C450 C451 125.2(19) . . ?
C449 C450 H450 117.4 . . ?
C451 C450 H450 117.4 . . ?
C105 C108 H10G 109.5 . . ?
C105 C108 H10H 109.5 . . ?
C105 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C459 C458 C472 121(2) . . ?
C459 C458 C457 114(2) . . ?
C457 C458 C472 124.1(19) . . ?
C427 C428 C416 118(2) . . ?
C429 C428 C416 102.0(19) . . ?
C429 C428 C427 140(2) . . ?
N433 C434 C435 117(2) . . ?
N433 C434 H434 121.7 . . ?
C435 C434 H434 121.7 . . ?
H35A C350 H35B 109.5 . . ?
H35A C350 H35C 109.5 . . ?
H35B C350 H35C 109.5 . . ?
C349 C350 H35A 109.5 . . ?
C349 C350 H35B 109.5 . . ?
C349 C350 H35C 109.5 . . ?
C285 C286 H286 117.9 . . ?
C285 C286 C287 124.2(17) . . ?
C287 C286 H286 117.9 . . ?
C365 C366 H36D 109.5 . . ?
C365 C366 H36E 109.5 . . ?
C365 C366 H36F 109.5 . . ?
H36D C366 H36E 109.5 . . ?
H36D C366 H36F 109.5 . . ?
H36E C366 H36F 109.5 . . ?
C346 C345 C327 172(2) . . ?
C137 C138 H138 120.0 . . ?
C137 C138 C139 120.0 . . ?
C139 C138 H138 120.0 . . ?
C138 C137 C129 120.0 . . ?
C138 C137 C136 134.3(14) . . ?
C129 C137 C136 105.7(14) . . ?
C137 C129 N130 110.3(14) . . ?
C128 C129 N130 129.7(14) . . ?
C128 C129 C137 120.0 . . ?
N127 C128 C129 130.5(14) . . ?
N127 C128 C140 109.5(14) . . ?
C129 C128 C140 120.0 . . ?
C128 C140 C141 104.9(14) . . ?
C139 C140 C128 120.0 . . ?
C139 C140 C141 135.1(14) . . ?
C138 C139 H139 120.0 . . ?
C140 C139 C138 120.0 . . ?
C140 C139 H139 120.0 . . ?
C247 C245 C174 108.1(15) . . ?
C248 C245 C174 109.0(14) . . ?
C248 C245 C247 109.7(16) . . ?
C248 C245 C246 112.6(17) . . ?
C246 C245 C174 109.7(15) . . ?
C246 C245 C247 107.7(15) . . ?
C151 C152 C219 119.0(13) . . ?
C151 C152 C153 120.0 . . ?
C153 C152 C219 120.7(13) . . ?
N150 C151 C152 129.7(11) . . ?
N150 C151 C156 110.3(11) . . ?
C156 C151 C152 120.0 . . ?
C151 C156 C157 107.2(11) . . ?
C151 C156 C155 120.0 . . ?
C155 C156 C157 132.8(11) . . ?
C156 C155 H155 120.0 . . ?
C156 C155 C154 120.0 . . ?
C154 C155 H155 120.0 . . ?
C155 C154 C237 117.7(12) . . ?
C153 C154 C237 122.1(12) . . ?
C153 C154 C155 120.0 . . ?
C152 C153 H153 120.0 . . ?
C154 C153 C152 120.0 . . ?
C154 C153 H153 120.0 . . ?
C214 C213 C187 171(2) . . ?
C485 C487 H48D 109.5 . . ?
C485 C487 H48E 109.5 . . ?
C485 C487 H48F 109.5 . . ?
H48D C487 H48E 109.5 . . ?
H48D C487 H48F 109.5 . . ?
H48E C487 H48F 109.5 . . ?
C101 C104 H10J 109.5 . . ?
C101 C104 H10K 109.5 . . ?
C101 C104 H10L 109.5 . . ?
H10J C104 H10K 109.5 . . ?
H10J C104 H10L 109.5 . . ?
H10K C104 H10L 109.5 . . ?
N433 C438 H438 120.9 . . ?
C437 C438 N433 118(2) . . ?
C437 C438 H438 120.9 . . ?
C257 C258 C353 116.4(17) . . ?
C259 C258 C257 119.9(15) . . ?
C259 C258 C353 123.7(18) . . ?
C123 C121 C50 113.0(13) . . ?
C123 C121 C124 107.0(13) . . ?
C123 C121 C122 104.8(13) . . ?
C50 C121 C122 110.9(13) . . ?
C124 C121 C50 108.6(12) . . ?
C124 C121 C122 112.4(14) . . ?
N167 C166 C165 129.3(13) . . ?
N167 C166 C181 110.7(13) . . ?
C165 C166 C181 120.0 . . ?
C166 C165 C222 123.1(12) . . ?
C184 C165 C222 116.8(12) . . ?
C184 C165 C166 120.0 . . ?
C165 C184 H184 120.0 . . ?
C183 C184 C165 120.0 . . ?
C183 C184 H184 120.0 . . ?
C184 C183 C182 120.0 . . ?
C184 C183 C241 117.7(11) . . ?
C182 C183 C241 122.3(11) . . ?
C183 C182 H182 120.0 . . ?
C181 C182 C183 120.0 . . ?
C181 C182 H182 120.0 . . ?
C166 C181 C180 109.0(12) . . ?
C182 C181 C180 131.0(12) . . ?
C182 C181 C166 120.0 . . ?
C465 C466 C393 173(2) . . ?
C245 C247 H24A 109.5 . . ?
C245 C247 H24B 109.5 . . ?
C245 C247 H24C 109.5 . . ?
H24A C247 H24B 109.5 . . ?
H24A C247 H24C 109.5 . . ?
H24B C247 H24C 109.5 . . ?
N185 C191 H19A 109.5 . . ?
N185 C191 H19B 109.5 . . ?
N185 C191 H19C 109.5 . . ?
H19A C191 H19B 109.5 . . ?
H19A C191 H19C 109.5 . . ?
H19B C191 H19C 109.5 . . ?
C347 C348 C334 176(2) . . ?
C90 C89 C63 169.6(18) . . ?
C39 C109 C111 116.6(18) . . ?
C39 C109 C112 113.9(19) . . ?
C110 C109 C39 108.4(18) . . ?
C110 C109 C111 106.5(19) . . ?
C110 C109 C112 104.8(19) . . ?
C112 C109 C111 106(2) . . ?
C345 C346 C289 177(2) . . ?
N199 C205 H20A 109.5 . . ?
N199 C205 H20B 109.5 . . ?
N199 C205 H20C 109.5 . . ?
H20A C205 H20B 109.5 . . ?
H20A C205 H20C 109.5 . . ?
H20B C205 H20C 109.5 . . ?
N206 C212 H21A 109.5 . . ?
N206 C212 H21B 109.5 . . ?
N206 C212 H21C 109.5 . . ?
H21A C212 H21B 109.5 . . ?
H21A C212 H21C 109.5 . . ?
H21B C212 H21C 109.5 . . ?
C258 C353 C354 107.9(13) . . ?
C355 C353 C258 114.9(14) . . ?
C355 C353 C356 107.7(14) . . ?
C355 C353 C354 104.8(13) . . ?
C356 C353 C258 113.7(14) . . ?
C356 C353 C354 107.3(13) . . ?
C456 C457 C458 121(2) . . ?
C456 C457 H457 119.7 . . ?
C458 C457 H457 119.7 . . ?
C245 C248 H24D 109.5 . . ?
C245 C248 H24E 109.5 . . ?
C245 C248 H24F 109.5 . . ?
H24D C248 H24E 109.5 . . ?
H24D C248 H24F 109.5 . . ?
H24E C248 H24F 109.5 . . ?
N330 C336 H33A 109.5 . . ?
N330 C336 H33B 109.5 . . ?
N330 C336 H33C 109.5 . . ?
H33A C336 H33B 109.5 . . ?
H33A C336 H33C 109.5 . . ?
H33B C336 H33C 109.5 . . ?
C245 C246 H24G 109.5 . . ?
C245 C246 H24H 109.5 . . ?
C245 C246 H24I 109.5 . . ?
H24G C246 H24H 109.5 . . ?
H24G C246 H24I 109.5 . . ?
H24H C246 H24I 109.5 . . ?
C361 C363 H36G 109.5 . . ?
C361 C363 H36H 109.5 . . ?
C361 C363 H36I 109.5 . . ?
H36G C363 H36H 109.5 . . ?
H36G C363 H36I 109.5 . . ?
H36H C363 H36I 109.5 . . ?
C288 C287 C357 121.6(17) . . ?
C286 C287 C288 116.6(14) . . ?
C286 C287 C357 120.7(17) . . ?
C101 C103 H10M 109.5 . . ?
C101 C103 H10N 109.5 . . ?
C101 C103 H10O 109.5 . . ?
H10M C103 H10N 109.5 . . ?
H10M C103 H10O 109.5 . . ?
H10N C103 H10O 109.5 . . ?
C372 C369 C298 109.2(14) . . ?
C372 C369 C371 106.2(14) . . ?
C371 C369 C298 112.3(15) . . ?
C370 C369 C298 115.1(14) . . ?
C370 C369 C372 106.2(15) . . ?
C370 C369 C371 107.4(15) . . ?
N323 C329 H32A 109.5 . . ?
N323 C329 H32B 109.5 . . ?
N323 C329 H32C 109.5 . . ?
H32A C329 H32B 109.5 . . ?
H32A C329 H32C 109.5 . . ?
H32B C329 H32C 109.5 . . ?
C279 C278 C361 118.2(19) . . ?
C279 C278 C277 123.3(19) . . ?
C277 C278 C361 118.4(19) . . ?
N316 C322 H32D 109.5 . . ?
N316 C322 H32E 109.5 . . ?
N316 C322 H32F 109.5 . . ?
H32D C322 H32E 109.5 . . ?
H32D C322 H32F 109.5 . . ?
H32E C322 H32F 109.5 . . ?
C109 C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
C109 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C101 C102 H10P 109.5 . . ?
C101 C102 H10Q 109.5 . . ?
C101 C102 H10R 109.5 . . ?
H10P C102 H10Q 109.5 . . ?
H10P C102 H10R 109.5 . . ?
H10Q C102 H10R 109.5 . . ?
H35D C352 H35E 109.5 . . ?
H35D C352 H35F 109.5 . . ?
H35E C352 H35F 109.5 . . ?
C349 C352 H35D 109.5 . . ?
C349 C352 H35E 109.5 . . ?
C349 C352 H35F 109.5 . . ?
H35G C351 H35H 109.5 . . ?
H35G C351 H35I 109.5 . . ?
H35H C351 H35I 109.5 . . ?
C349 C351 H35G 109.5 . . ?
C349 C351 H35H 109.5 . . ?
C349 C351 H35I 109.5 . . ?
N433 C439 H43A 109.5 . . ?
N433 C439 H43B 109.5 . . ?
N433 C439 H43C 109.5 . . ?
H43A C439 H43B 109.5 . . ?
H43A C439 H43C 109.5 . . ?
H43B C439 H43C 109.5 . . ?
N192 C198 H19D 109.5 . . ?
N192 C198 H19E 109.5 . . ?
N192 C198 H19F 109.5 . . ?
H19D C198 H19E 109.5 . . ?
H19D C198 H19F 109.5 . . ?
H19E C198 H19F 109.5 . . ?
C422 C493 C496 113.2(12) . . ?
C495 C493 C422 108.7(11) . . ?
C495 C493 C494 107.02(19) . . ?
C495 C493 C496 106.98(19) . . ?
C494 C493 C422 113.7(11) . . ?
C494 C493 C496 106.96(17) . . ?
H35J C359 H35K 109.5 . . ?
H35J C359 H35L 109.5 . . ?
H35K C359 H35L 109.5 . . ?
C357 C359 H35J 109.5 . . ?
C357 C359 H35K 109.5 . . ?
C357 C359 H35L 109.5 . . ?
C361 C364 H36J 109.5 . . ?
C361 C364 H36K 109.5 . . ?
C361 C364 H36L 109.5 . . ?
H36J C364 H36K 109.5 . . ?
H36J C364 H36L 109.5 . . ?
H36K C364 H36L 109.5 . . ?
H23A C234 H23B 109.5 . . ?
H23A C234 H23C 109.5 . . ?
H23B C234 H23C 109.5 . . ?
C233 C234 H23A 109.5 . . ?
C233 C234 H23B 109.5 . . ?
C233 C234 H23C 109.5 . . ?
C142 C143 C144 120.0 . . ?
C142 C143 C225 121.0(13) . . ?
C144 C143 C225 119.0(13) . . ?
C143 C142 H142 120.0 . . ?
C141 C142 C143 120.0 . . ?
C141 C142 H142 120.0 . . ?
C142 C141 C140 131.0(14) . . ?
C142 C141 C126 120.0 . . ?
C126 C141 C140 109.0(14) . . ?
N127 C126 C141 108.0(15) . . ?
N127 C126 C125 132.0(15) . . ?
C141 C126 C125 120.0 . . ?
C126 C125 C214 122.2(15) . . ?
C144 C125 C126 120.0 . . ?
C144 C125 C214 117.7(15) . . ?
C143 C144 H144 120.0 . . ?
C125 C144 C143 120.0 . . ?
C125 C144 H144 120.0 . . ?
C353 C355 H35M 109.5 . . ?
C353 C355 H35N 109.5 . . ?
C353 C355 H35O 109.5 . . ?
H35M C355 H35N 109.5 . . ?
H35M C355 H35O 109.5 . . ?
H35N C355 H35O 109.5 . . ?
C365 C367 H36M 109.5 . . ?
C365 C367 H36N 109.5 . . ?
C365 C367 H36O 109.5 . . ?
H36M C367 H36N 109.5 . . ?
H36M C367 H36O 109.5 . . ?
H36N C367 H36O 109.5 . . ?
C353 C356 H35P 109.5 . . ?
C353 C356 H35Q 109.5 . . ?
C353 C356 H35R 109.5 . . ?
H35P C356 H35Q 109.5 . . ?
H35P C356 H35R 109.5 . . ?
H35Q C356 H35R 109.5 . . ?
C121 C122 H12G 109.5 . . ?
C121 C122 H12H 109.5 . . ?
C121 C122 H12I 109.5 . . ?
H12G C122 H12H 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C229 C231 H23D 109.5 . . ?
C229 C231 H23E 109.5 . . ?
C229 C231 H23F 109.5 . . ?
H23D C231 H23E 109.5 . . ?
H23D C231 H23F 109.5 . . ?
H23E C231 H23F 109.5 . . ?
C493 C495 H49A 109.5 . . ?
C493 C495 H49B 109.5 . . ?
C493 C495 H49C 109.5 . . ?
H49A C495 H49B 109.5 . . ?
H49A C495 H49C 109.5 . . ?
H49B C495 H49C 109.5 . . ?
C237 C238 H23G 109.5 . . ?
C237 C238 H23H 109.5 . . ?
C237 C238 H23I 109.5 . . ?
H23G C238 H23H 109.5 . . ?
H23G C238 H23I 109.5 . . ?
H23H C238 H23I 109.5 . . ?
C350 C349 C267 105.1(12) . . ?
C350 C349 C352 112.6(14) . . ?
C350 C349 C351 109.9(14) . . ?
C352 C349 C267 107.2(13) . . ?
C352 C349 C351 110.8(15) . . ?
C351 C349 C267 111.0(13) . . ?
C260 C259 H259 120.5 . . ?
C258 C259 C260 119.0(18) . . ?
C258 C259 H259 120.5 . . ?
C163 C233 C234 111.2(13) . . ?
C163 C233 C236 110.9(14) . . ?
C236 C233 C234 108.4(14) . . ?
C235 C233 C163 108.0(12) . . ?
C235 C233 C234 113.5(15) . . ?
C235 C233 C236 104.7(14) . . ?
C276 C277 C278 119(2) . . ?
C276 C277 H277 120.4 . . ?
C278 C277 H277 120.4 . . ?
C485 C488 H48G 109.5 . . ?
C485 C488 H48H 109.5 . . ?
C485 C488 H48I 109.5 . . ?
H48G C488 H48H 109.5 . . ?
H48G C488 H48I 109.5 . . ?
H48H C488 H48I 109.5 . . ?
H11G C119 H11H 109.5 . . ?
H11G C119 H11I 109.5 . . ?
H11H C119 H11I 109.5 . . ?
C117 C119 H11G 109.5 . . ?
C117 C119 H11H 109.5 . . ?
C117 C119 H11I 109.5 . . ?
C229 C230 H23J 109.5 . . ?
C229 C230 H23K 109.5 . . ?
C229 C230 H23L 109.5 . . ?
H23J C230 H23K 109.5 . . ?
H23J C230 H23L 109.5 . . ?
H23K C230 H23L 109.5 . . ?
N440 C446 H44A 109.5 . . ?
N440 C446 H44B 109.5 . . ?
N440 C446 H44C 109.5 . . ?
H44A C446 H44B 109.5 . . ?
H44A C446 H44C 109.5 . . ?
H44B C446 H44C 109.5 . . ?
C501 C502 C497 120.0 . . ?
C500 C501 C502 120.0 . . ?
C501 C500 C499 120.0 . . ?
C500 C499 C498 120.0 . . ?
C497 C498 C499 120.0 . . ?
C498 C497 C502 120.0 . . ?
C237 C239 H23M 109.5 . . ?
C237 C239 H23N 109.5 . . ?
C237 C239 H23O 109.5 . . ?
H23M C239 H23N 109.5 . . ?
H23M C239 H23O 109.5 . . ?
H23N C239 H23O 109.5 . . ?
C229 C232 H23P 109.5 . . ?
C229 C232 H23Q 109.5 . . ?
C229 C232 H23R 109.5 . . ?
H23P C232 H23Q 109.5 . . ?
H23P C232 H23R 109.5 . . ?
H23Q C232 H23R 109.5 . . ?
C493 C494 H49D 109.5 . . ?
C493 C494 H49E 109.5 . . ?
C493 C494 H49F 109.5 . . ?
H49D C494 H49E 109.5 . . ?
H49D C494 H49F 109.5 . . ?
H49E C494 H49F 109.5 . . ?
C237 C240 H24J 109.5 . . ?
C237 C240 H24K 109.5 . . ?
C237 C240 H24L 109.5 . . ?
H24J C240 H24K 109.5 . . ?
H24J C240 H24L 109.5 . . ?
H24K C240 H24L 109.5 . . ?
C369 C372 H37A 109.5 . . ?
C369 C372 H37B 109.5 . . ?
C369 C372 H37C 109.5 . . ?
H37A C372 H37B 109.5 . . ?
H37A C372 H37C 109.5 . . ?
H37B C372 H37C 109.5 . . ?
C109 C112 H11J 109.5 . . ?
C109 C112 H11K 109.5 . . ?
C109 C112 H11L 109.5 . . ?
H11J C112 H11K 109.5 . . ?
H11J C112 H11L 109.5 . . ?
H11K C112 H11L 109.5 . . ?
C233 C236 H23S 109.5 . . ?
C233 C236 H23T 109.5 . . ?
C233 C236 H23U 109.5 . . ?
H23S C236 H23T 109.5 . . ?
H23S C236 H23U 109.5 . . ?
H23T C236 H23U 109.5 . . ?
C233 C235 H23V 109.5 . . ?
C233 C235 H23W 109.5 . . ?
C233 C235 H23X 109.5 . . ?
H23V C235 H23W 109.5 . . ?
H23V C235 H23X 109.5 . . ?
H23W C235 H23X 109.5 . . ?
H47D C478 H47E 109.5 . . ?
H47D C478 H47F 109.5 . . ?
H47E C478 H47F 109.5 . . ?
C477 C478 H47D 109.5 . . ?
C477 C478 H47E 109.5 . . ?
C477 C478 H47F 109.5 . . ?
H12J C120 H12K 109.5 . . ?
H12J C120 H12L 109.5 . . ?
H12K C120 H12L 109.5 . . ?
C117 C120 H12J 109.5 . . ?
C117 C120 H12K 109.5 . . ?
C117 C120 H12L 109.5 . . ?
N82 C88 H88A 109.5 . . ?
N82 C88 H88B 109.5 . . ?
N82 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C369 C371 H37D 109.5 . . ?
C369 C371 H37E 109.5 . . ?
C369 C371 H37F 109.5 . . ?
H37D C371 H37E 109.5 . . ?
H37D C371 H37F 109.5 . . ?
H37E C371 H37F 109.5 . . ?
H36P C360 H36Q 109.5 . . ?
H36P C360 H36R 109.5 . . ?
H36Q C360 H36R 109.5 . . ?
C357 C360 H36P 109.5 . . ?
C357 C360 H36Q 109.5 . . ?
C357 C360 H36R 109.5 . . ?
H35S C358 H35T 109.5 . . ?
H35S C358 H35U 109.5 . . ?
H35T C358 H35U 109.5 . . ?
C357 C358 H35S 109.5 . . ?
C357 C358 H35T 109.5 . . ?
C357 C358 H35U 109.5 . . ?
C369 C370 H37G 109.5 . . ?
C369 C370 H37H 109.5 . . ?
C369 C370 H37I 109.5 . . ?
H37G C370 H37H 109.5 . . ?
H37G C370 H37I 109.5 . . ?
H37H C370 H37I 109.5 . . ?
C479 C477 C382 114.2(12) . . ?
C479 C477 C478 106.0(14) . . ?
C479 C477 C480 111.2(15) . . ?
C382 C477 C478 112.0(13) . . ?
C480 C477 C382 107.3(12) . . ?
C480 C477 C478 106.0(15) . . ?
C359 C357 C287 112.9(13) . . ?
C359 C357 C360 106.89(19) . . ?
C360 C357 C287 111.0(15) . . ?
C358 C357 C287 112.0(13) . . ?
C358 C357 C359 106.88(19) . . ?
C358 C357 C360 106.86(19) . . ?
C213 C214 C125 173(2) . . ?
C59 C117 C119 113.7(11) . . ?
C59 C117 C118 115.7(11) . . ?
C120 C117 C59 106.0(10) . . ?
C120 C117 C119 106.98(19) . . ?
C120 C117 C118 107.01(19) . . ?
C118 C117 C119 106.94(19) . . ?
N75 C81 H81A 109.5 . . ?
N75 C81 H81B 109.5 . . ?
N75 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C353 C354 H35V 109.5 . . ?
C353 C354 H35W 109.5 . . ?
C353 C354 H35X 109.5 . . ?
H35V C354 H35W 109.5 . . ?
H35V C354 H35X 109.5 . . ?
H35W C354 H35X 109.5 . . ?
H24M C243 H24N 109.5 . . ?
H24M C243 H24O 109.5 . . ?
H24N C243 H24O 109.5 . . ?
C241 C243 H24M 109.5 . . ?
C241 C243 H24N 109.5 . . ?
C241 C243 H24O 109.5 . . ?
H49G C490 H49H 109.5 . . ?
H49G C490 H49I 109.5 . . ?
H49H C490 H49I 109.5 . . ?
C489 C490 H49G 109.5 . . ?
C489 C490 H49H 109.5 . . ?
C489 C490 H49I 109.5 . . ?
H49J C491 H49K 109.5 . . ?
H49J C491 H49L 109.5 . . ?
H49K C491 H49L 109.5 . . ?
C489 C491 H49J 109.5 . . ?
C489 C491 H49K 109.5 . . ?
C489 C491 H49L 109.5 . . ?
H24P C244 H24Q 109.5 . . ?
H24P C244 H24R 109.5 . . ?
H24Q C244 H24R 109.5 . . ?
C241 C244 H24P 109.5 . . ?
C241 C244 H24Q 109.5 . . ?
C241 C244 H24R 109.5 . . ?
N26 C27 C32 105.9(14) . . ?
N26 C27 C28 134.1(14) . . ?
C32 C27 C28 120.0 . . ?
C27 C32 C33 109.0(13) . . ?
C31 C32 C33 130.8(13) . . ?
C31 C32 C27 120.0 . . ?
C32 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C30 C113 123.1(13) . . ?
C29 C30 C31 120.0 . . ?
C29 C30 C113 114.2(13) . . ?
C30 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C27 C28 C95 115.0(14) . . ?
C29 C28 C95 125.0(14) . . ?
C29 C28 C27 120.0 . . ?
C226 C225 C143 110.9(14) . . ?
C226 C225 C227 107.00(19) . . ?
C226 C225 C228 106.95(19) . . ?
C227 C225 C143 113.3(13) . . ?
C227 C225 C228 106.90(19) . . ?
C228 C225 C143 111.5(15) . . ?
H49M C492 H49N 109.5 . . ?
H49M C492 H49O 109.5 . . ?
H49N C492 H49O 109.5 . . ?
C489 C492 H49M 109.5 . . ?
C489 C492 H49N 109.5 . . ?
C489 C492 H49O 109.5 . . ?
H24S C242 H24T 109.5 . . ?
H24S C242 H24U 109.5 . . ?
H24T C242 H24U 109.5 . . ?
C241 C242 H24S 109.5 . . ?
C241 C242 H24T 109.5 . . ?
C241 C242 H24U 109.5 . . ?
C131 C132 C215 121.5(14) . . ?
C131 C132 C133 120.0 . . ?
C133 C132 C215 118.3(14) . . ?
C132 C131 N130 131.1(13) . . ?
C132 C131 C136 120.0 . . ?
C136 C131 N130 108.8(13) . . ?
C131 C136 C137 107.2(13) . . ?
C131 C136 C135 120.0 . . ?
C135 C136 C137 132.7(13) . . ?
C136 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C134 C135 H135 120.0 . . ?
C135 C134 C229 120.4(12) . . ?
C133 C134 C229 119.4(12) . . ?
C133 C134 C135 120.0 . . ?
C132 C133 H133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 H133 120.0 . . ?
C477 C480 H48J 109.5 . . ?
C477 C480 H48K 109.5 . . ?
C477 C480 H48L 109.5 . . ?
H48J C480 H48K 109.5 . . ?
H48J C480 H48L 109.5 . . ?
H48K C480 H48L 109.5 . . ?
C430 C431 C432 120.0 . . ?
C430 C431 C489 124.4(13) . . ?
C432 C431 C489 115.5(13) . . ?
C431 C430 H430 120.0 . . ?
C431 C430 C429 120.0 . . ?
C429 C430 H430 120.0 . . ?
C428 C429 C430 127.2(16) . . ?
C428 C429 C414 112.8(16) . . ?
C430 C429 C414 120.0 . . ?
N415 C414 C429 105.8(14) . . ?
N415 C414 C413 134.1(15) . . ?
C413 C414 C429 120.0 . . ?
C414 C413 C470 117.3(15) . . ?
C414 C413 C432 120.0 . . ?
C432 C413 C470 122.7(15) . . ?
C431 C432 H432 120.0 . . ?
C413 C432 C431 120.0 . . ?
C413 C432 H432 120.0 . . ?
C183 C241 C243 113.2(10) . . ?
C183 C241 C244 112.2(10) . . ?
C183 C241 C242 110.3(10) . . ?
C243 C241 C244 106.91(18) . . ?
C243 C241 C242 106.95(18) . . ?
C244 C241 C242 106.96(16) . . ?
C490 C489 C491 106.91(19) . . ?
C490 C489 C431 112.5(13) . . ?
C491 C489 C431 111.6(14) . . ?
C492 C489 C490 106.95(19) . . ?
C492 C489 C491 106.95(19) . . ?
C492 C489 C431 111.7(12) . . ?
C493 C496 H49P 109.5 . . ?
C493 C496 H49Q 109.5 . . ?
C493 C496 H49R 109.5 . . ?
H49P C496 H49Q 109.5 . . ?
H49P C496 H49R 109.5 . . ?
H49Q C496 H49R 109.5 . . ?
C482 C481 C411 114.8(15) . . ?
C484 C481 C411 113.0(14) . . ?
C484 C481 C482 106.9(2) . . ?
C484 C481 C483 106.90(19) . . ?
C483 C481 C411 108.0(13) . . ?
C483 C481 C482 106.86(19) . . ?
C361 C362 H36S 109.5 . . ?
C361 C362 H36T 109.5 . . ?
C361 C362 H36U 109.5 . . ?
H36S C362 H36T 109.5 . . ?
H36S C362 H36U 109.5 . . ?
H36T C362 H36U 109.5 . . ?
C117 C118 H11M 109.5 . . ?
C117 C118 H11N 109.5 . . ?
C117 C118 H11O 109.5 . . ?
H11M C118 H11N 109.5 . . ?
H11M C118 H11O 109.5 . . ?
H11N C118 H11O 109.5 . . ?
C30 C113 C116 115.0(15) . . ?
C114 C113 C30 102.8(13) . . ?
C114 C113 C115 106.96(19) . . ?
C114 C113 C116 106.9(2) . . ?
C115 C113 C30 117.5(14) . . ?
C115 C113 C116 106.84(19) . . ?
C481 C482 H48M 109.5 . . ?
C481 C482 H48N 109.5 . . ?
C481 C482 H48O 109.5 . . ?
H48M C482 H48N 109.5 . . ?
H48M C482 H48O 109.5 . . ?
H48N C482 H48O 109.5 . . ?
C475 C473 C391 109.7(11) . . ?
C475 C473 C476 106.94(19) . . ?
C475 C473 C474 106.91(19) . . ?
C476 C473 C391 115.7(11) . . ?
C476 C473 C474 106.87(19) . . ?
C474 C473 C391 110.2(11) . . ?
C481 C484 H48P 109.5 . . ?
C481 C484 H48Q 109.5 . . ?
C481 C484 H48R 109.5 . . ?
H48P C484 H48Q 109.5 . . ?
H48P C484 H48R 109.5 . . ?
H48Q C484 H48R 109.5 . . ?
C481 C483 H48S 109.5 . . ?
C481 C483 H48T 109.5 . . ?
C481 C483 H48U 109.5 . . ?
H48S C483 H48T 109.5 . . ?
H48S C483 H48U 109.5 . . ?
H48T C483 H48U 109.5 . . ?
C473 C475 H47G 109.5 . . ?
C473 C475 H47H 109.5 . . ?
C473 C475 H47I 109.5 . . ?
H47G C475 H47H 109.5 . . ?
H47G C475 H47I 109.5 . . ?
H47H C475 H47I 109.5 . . ?
C473 C476 H47J 109.5 . . ?
C473 C476 H47K 109.5 . . ?
C473 C476 H47L 109.5 . . ?
H47J C476 H47K 109.5 . . ?
H47J C476 H47L 109.5 . . ?
H47K C476 H47L 109.5 . . ?
C473 C474 H47M 109.5 . . ?
C473 C474 H47N 109.5 . . ?
C473 C474 H47O 109.5 . . ?
H47M C474 H47N 109.5 . . ?
H47M C474 H47O 109.5 . . ?
H47N C474 H47O 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N395 H395 0.8800 . ?
N395 C396 1.362(14) . ?
N395 C394 1.375(14) . ?
N418 H418 0.8800 . ?
N418 C417 1.415(19) . ?
N418 C419 1.311(15) . ?
C325 C344 1.45(2) . ?
C325 C324 1.34(2) . ?
C325 C326 1.394(19) . ?
N254 H254 0.8800 . ?
N254 C253 1.396(13) . ?
N254 C255 1.333(15) . ?
N294 H294 0.8800 . ?
N294 C293 1.388(18) . ?
N294 C295 1.377(16) . ?
N6 H6 0.8800 . ?
N6 C5 1.407(14) . ?
N6 C7 1.411(14) . ?
N398 H398 0.8800 . ?
N398 C399 1.387(19) . ?
N398 C397 1.370(14) . ?
N323 C328 1.419(19) . ?
N323 C324 1.391(19) . ?
N323 C329 1.40(2) . ?
N447 C452 1.309(19) . ?
N447 C453 1.481(18) . ?
N447 C448 1.402(17) . ?
N251 H251 0.8800 . ?
N251 C252 1.436(15) . ?
N251 C250 1.379(14) . ?
N127 H127 0.8800 . ?
N127 C128 1.389(14) . ?
N127 C126 1.353(15) . ?
N170 H170 0.8800 . ?
N170 C171 1.382(14) . ?
N170 C169 1.409(13) . ?
N274 H274 0.8800 . ?
N274 C273 1.372(14) . ?
N274 C275 1.406(18) . ?
N167 H167 0.8800 . ?
N167 C168 1.416(16) . ?
N167 C166 1.364(13) . ?
N271 H271 0.8800 . ?
N271 C272 1.407(14) . ?
N271 C270 1.397(19) . ?
C399 C404 1.429(19) . ?
C399 C400 1.38(2) . ?
N415 H415 0.8800 . ?
N415 C416 1.35(2) . ?
N415 C414 1.381(14) . ?
C417 C416 1.39(2) . ?
C417 C425 1.39(2) . ?
N3 H3 0.8800 . ?
N3 C4 1.392(14) . ?
N3 C2 1.408(12) . ?
N378 H378 0.8800 . ?
N378 C377 1.364(14) . ?
N378 C379 1.403(13) . ?
C13 C5 1.3900 . ?
C13 C14 1.3900 . ?
C13 C12 1.435(11) . ?
C5 C4 1.3900 . ?
C4 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C17 1.417(12) . ?
C15 H15 0.9500 . ?
C15 C14 1.3900 . ?
C14 H14 0.9500 . ?
N454 C455 1.361(19) . ?
N454 C460 1.46(2) . ?
N454 C459 1.35(2) . ?
C273 C272 1.3900 . ?
C273 C281 1.3900 . ?
C272 C284 1.3900 . ?
C284 C283 1.3900 . ?
C284 C285 1.393(17) . ?
C283 H283 0.9500 . ?
C283 C282 1.3900 . ?
C282 H282 0.9500 . ?
C282 C281 1.3900 . ?
C281 C280 1.40(2) . ?
N147 H147 0.8800 . ?
N147 C146 1.380(2) . ?
N147 C148 1.380(2) . ?
N43 H43 0.8800 . ?
N43 C42 1.383(16) . ?
N43 C44 1.368(15) . ?
N23 H23 0.8800 . ?
N23 C22 1.356(15) . ?
N23 C24 1.394(14) . ?
C171 C176 1.3900 . ?
C171 C172 1.3900 . ?
C176 C175 1.3900 . ?
C176 C177 1.460(12) . ?
C175 H175 0.9500 . ?
C175 C174 1.3900 . ?
C174 C173 1.3900 . ?
C174 C245 1.57(2) . ?
C173 H173 0.9500 . ?
C173 C172 1.3900 . ?
C172 C223 1.430(2) . ?
C146 C145 1.3900 . ?
C146 C161 1.3900 . ?
C145 C164 1.3900 . ?
C145 C218 1.430(2) . ?
C164 H164 0.9500 . ?
C164 C163 1.3900 . ?
C163 C162 1.3900 . ?
C163 C233 1.550(2) . ?
C162 H162 0.9500 . ?
C162 C161 1.3900 . ?
C161 C160 1.452(11) . ?
C416 C428 1.48(2) . ?
N375 H375 0.8800 . ?
N375 C374 1.369(14) . ?
N375 C376 1.432(13) . ?
C339 C340 1.11(2) . ?
C339 C256 1.41(2) . ?
C276 C343 1.40(2) . ?
C276 C275 1.39(2) . ?
C276 C277 1.38(2) . ?
C328 H328 0.9500 . ?
C328 C327 1.33(2) . ?
C347 C296 1.432(2) . ?
C347 C348 1.200(2) . ?
C218 C217 1.214(11) . ?
C92 C70 1.430(2) . ?
C92 C91 1.173(11) . ?
C468 C449 1.45(2) . ?
C468 C467 1.154(19) . ?
N150 H150 0.8800 . ?
N150 C149 1.380(2) . ?
N150 C151 1.380(2) . ?
C93 C72 1.430(2) . ?
C93 C94 1.192(11) . ?
C72 C71 1.3900 . ?
C72 C73 1.3900 . ?
C71 H71 0.9500 . ?
C71 C70 1.3900 . ?
C70 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 N68 1.3900 . ?
N68 C73 1.3900 . ?
N68 C74 1.501(14) . ?
C73 H73 0.9500 . ?
N130 H130 0.8800 . ?
N130 C129 1.387(17) . ?
N130 C131 1.402(15) . ?
C90 C1 1.430(2) . ?
C90 C89 1.226(12) . ?
C107 H10A 0.9800 . ?
C107 H10B 0.9800 . ?
C107 H10C 0.9800 . ?
C107 C105 1.550(2) . ?
N82 C87 1.3900 . ?
N82 C83 1.3900 . ?
N82 C88 1.452(18) . ?
C87 H87 0.9500 . ?
C87 C86 1.3900 . ?
C86 C85 1.3900 . ?
C86 C100 1.431(2) . ?
C85 H85 0.9500 . ?
C85 C84 1.3900 . ?
C84 H84 0.9500 . ?
C84 C83 1.3900 . ?
C83 H83 0.9500 . ?
C2 C1 1.3900 . ?
C2 C17 1.3901 . ?
C1 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C19 1.3900 . ?
C19 C18 1.3900 . ?
C19 C101 1.566(17) . ?
C18 H18 0.9500 . ?
C18 C17 1.3900 . ?
C260 C261 1.444(17) . ?
C260 C255 1.34(2) . ?
C260 C259 1.43(2) . ?
C289 C308 1.3900 . ?
C289 C290 1.3900 . ?
C289 C346 1.431(2) . ?
C308 H308 0.9500 . ?
C308 C307 1.3900 . ?
C307 C306 1.3900 . ?
C307 C365 1.571(17) . ?
C306 H306 0.9500 . ?
C306 C305 1.3900 . ?
C305 C290 1.3900 . ?
C305 C304 1.44(2) . ?
C290 N291 1.372(15) . ?
C252 C264 1.3900 . ?
C252 C253 1.3900 . ?
C264 C263 1.3900 . ?
C264 C265 1.453(11) . ?
C263 H263 0.9500 . ?
C263 C262 1.3900 . ?
C262 H262 0.9500 . ?
C262 C261 1.3900 . ?
C261 C253 1.3900 . ?
C327 C326 1.43(2) . ?
C327 C345 1.430(2) . ?
C315 H31A 0.9800 . ?
C315 H31B 0.9800 . ?
C315 H31C 0.9800 . ?
C315 N309 1.458(16) . ?
C344 C343 1.22(2) . ?
C324 H324 0.9500 . ?
C404 C405 1.425(19) . ?
C404 C403 1.36(2) . ?
C425 C426 1.44(2) . ?
C425 C424 1.399(19) . ?
C223 C224 1.195(10) . ?
C461 C462 1.272(17) . ?
C461 C435 1.400(2) . ?
C426 H426 0.9500 . ?
C426 C427 1.35(2) . ?
N46 H46 0.8800 . ?
N46 C45 1.409(14) . ?
N46 C47 1.409(15) . ?
C304 C292 1.41(2) . ?
C304 C303 1.35(2) . ?
C340 C318 1.48(2) . ?
C337 C311 1.431(2) . ?
C337 C338 1.200(2) . ?
C168 C180 1.3900 . ?
C168 C169 1.3900 . ?
C180 C179 1.3900 . ?
C180 C181 1.435(12) . ?
C179 H179 0.9500 . ?
C179 C178 1.3900 . ?
C178 H178 0.9500 . ?
C178 C177 1.3900 . ?
C177 C169 1.3900 . ?
C326 H326 0.9500 . ?
C462 C373 1.401(2) . ?
C285 C270 1.37(2) . ?
C285 C286 1.40(2) . ?
C270 C269 1.44(2) . ?
C95 C96 1.214(12) . ?
C95 C28 1.430(2) . ?
C449 C448 1.45(2) . ?
C449 C450 1.37(2) . ?
C217 C196 1.430(2) . ?
C342 C269 1.42(2) . ?
C342 C341 1.16(2) . ?
C91 C8 1.430(2) . ?
C42 C41 1.3900 . ?
C42 C57 1.3900 . ?
C41 C60 1.3900 . ?
C41 C98 1.430(2) . ?
C60 H60 0.9500 . ?
C60 C59 1.3900 . ?
C59 C58 1.3900 . ?
C59 C117 1.549(2) . ?
C58 H58 0.9500 . ?
C58 C57 1.3900 . ?
C57 C56 1.433(12) . ?
C467 C400 1.49(2) . ?
C53 C45 1.3900 . ?
C53 C54 1.3900 . ?
C53 C52 1.414(11) . ?
C45 C44 1.3900 . ?
C44 C56 1.3900 . ?
C56 C55 1.3900 . ?
C55 H55 0.9500 . ?
C55 C54 1.3900 . ?
C54 H54 0.9500 . ?
C224 C210 1.430(2) . ?
C389 C374 1.3900 . ?
C389 C390 1.3900 . ?
C389 C388 1.415(11) . ?
C374 C373 1.3900 . ?
C373 C392 1.3900 . ?
C392 H392 0.9500 . ?
C392 C391 1.3900 . ?
C391 C390 1.3900 . ?
C391 C473 1.550(2) . ?
C390 H390 0.9500 . ?
C280 C279 1.44(2) . ?
C280 C275 1.41(2) . ?
C471 C420 1.49(2) . ?
C471 C472 1.13(2) . ?
C148 C160 1.3900 . ?
C148 C149 1.3900 . ?
C160 C159 1.3900 . ?
C159 H159 0.9500 . ?
C159 C158 1.3900 . ?
C158 H158 0.9500 . ?
C158 C157 1.3900 . ?
C157 C149 1.3900 . ?
C157 C156 1.445(11) . ?
N433 C434 1.33(2) . ?
N433 C438 1.410(19) . ?
N433 C439 1.463(19) . ?
C377 C376 1.3900 . ?
C377 C385 1.3900 . ?
C376 C388 1.3900 . ?
C388 C387 1.3900 . ?
C387 H387 0.9500 . ?
C387 C386 1.3900 . ?
C386 H386 0.9500 . ?
C386 C385 1.3900 . ?
C385 C384 1.425(11) . ?
C279 H279 0.9500 . ?
C279 C278 1.35(2) . ?
C269 C288 1.36(2) . ?
C203 C202 1.3900 . ?
C203 C204 1.3900 . ?
C203 C221 1.430(2) . ?
C202 H202 0.9500 . ?
C202 C201 1.3900 . ?
C201 C200 1.3900 . ?
C201 C220 1.430(2) . ?
C200 H200 0.9500 . ?
C200 N199 1.3900 . ?
N199 C204 1.3900 . ?
N199 C205 1.449(17) . ?
C204 H204 0.9500 . ?
C368 H36A 0.9800 . ?
C368 H36B 0.9800 . ?
C368 H36C 0.9800 . ?
C368 C365 1.546(10) . ?
C221 C222 1.204(10) . ?
C319 H319 0.9500 . ?
C319 C318 1.3900 . ?
C319 C320 1.3900 . ?
C318 C317 1.3900 . ?
C317 H317 0.9500 . ?
C317 N316 1.3900 . ?
N316 C321 1.3900 . ?
N316 C322 1.479(14) . ?
C321 H321 0.9500 . ?
C321 C320 1.3900 . ?
C320 C341 1.43(2) . ?
C397 C396 1.3900 . ?
C397 C405 1.3900 . ?
C396 C408 1.3900 . ?
C408 C407 1.3900 . ?
C408 C409 1.426(12) . ?
C407 H407 0.9500 . ?
C407 C406 1.3900 . ?
C406 H406 0.9500 . ?
C406 C405 1.3900 . ?
C485 C402 1.54(2) . ?
C485 C486 1.550(2) . ?
C485 C487 1.550(2) . ?
C485 C488 1.549(2) . ?
C365 C366 1.546(10) . ?
C365 C367 1.546(10) . ?
C123 H12A 0.9800 . ?
C123 H12B 0.9800 . ?
C123 H12C 0.9800 . ?
C123 C121 1.531(19) . ?
C78 H78 0.9500 . ?
C78 C77 1.3900 . ?
C78 C79 1.3900 . ?
C77 C76 1.3900 . ?
C77 C96 1.430(2) . ?
C76 H76 0.9500 . ?
C76 N75 1.3900 . ?
N75 C80 1.3900 . ?
N75 C81 1.463(18) . ?
C80 H80 0.9500 . ?
C80 C79 1.3900 . ?
C79 C97 1.431(2) . ?
C470 C469 1.200(2) . ?
C470 C413 1.400(2) . ?
C211 H211 0.9500 . ?
C211 C210 1.3900 . ?
C211 N206 1.3900 . ?
C210 C209 1.3900 . ?
C209 H209 0.9500 . ?
C209 C208 1.3900 . ?
C208 H208 0.9500 . ?
C208 C207 1.3900 . ?
C207 H207 0.9500 . ?
C207 N206 1.3900 . ?
N206 C212 1.438(18) . ?
C222 C165 1.430(2) . ?
C186 H186 0.9500 . ?
C186 N185 1.3900 . ?
C186 C187 1.3900 . ?
N185 C190 1.3900 . ?
N185 C191 1.446(19) . ?
C190 H190 0.9500 . ?
C190 C189 1.3900 . ?
C189 H189 0.9500 . ?
C189 C188 1.3900 . ?
C188 H188 0.9500 . ?
C188 C187 1.3900 . ?
C187 C213 1.430(2) . ?
C293 C292 1.36(2) . ?
C293 C301 1.36(2) . ?
C97 C98 1.193(11) . ?
C456 H456 0.9500 . ?
C456 C455 1.35(2) . ?
C456 C457 1.36(2) . ?
C94 C21 1.430(2) . ?
C412 H412 0.9500 . ?
C412 C411 1.3900 . ?
C412 C393 1.3900 . ?
C411 C410 1.3900 . ?
C411 C481 1.550(2) . ?
C410 H410 0.9500 . ?
C410 C409 1.3900 . ?
C409 C394 1.3900 . ?
C394 C393 1.3900 . ?
C393 C466 1.35(2) . ?
C465 C444 1.45(2) . ?
C465 C466 1.24(2) . ?
C400 C401 1.37(2) . ?
C256 C257 1.373(19) . ?
C256 C255 1.441(17) . ?
C445 H445 0.9500 . ?
C445 C444 1.3900 . ?
C445 N440 1.3900 . ?
C444 C443 1.3900 . ?
C443 H443 0.9500 . ?
C443 C442 1.3900 . ?
C442 C441 1.3900 . ?
C442 C464 1.47(2) . ?
C441 H441 0.9500 . ?
C441 N440 1.3900 . ?
N440 C446 1.510(17) . ?
C249 C268 1.3900 . ?
C249 C250 1.3900 . ?
C249 C338 1.431(2) . ?
C268 H268 0.9500 . ?
C268 C267 1.3900 . ?
C267 C266 1.3900 . ?
C267 C349 1.559(18) . ?
C266 H266 0.9500 . ?
C266 C265 1.3900 . ?
C265 C250 1.3900 . ?
C401 H401 0.9500 . ?
C401 C402 1.48(2) . ?
C215 C216 1.220(11) . ?
C215 C132 1.430(2) . ?
C421 H421 0.9500 . ?
C421 C420 1.3900 . ?
C421 C422 1.3900 . ?
C420 C419 1.3900 . ?
C419 C424 1.3900 . ?
C424 C423 1.3900 . ?
C423 H423 0.9500 . ?
C423 C422 1.3900 . ?
C422 C493 1.549(2) . ?
C435 C436 1.36(2) . ?
C435 C434 1.36(2) . ?
C257 H257 0.9500 . ?
C257 C258 1.43(2) . ?
C464 C463 1.18(2) . ?
C479 H47A 0.9800 . ?
C479 H47B 0.9800 . ?
C479 H47C 0.9800 . ?
C479 C477 1.549(2) . ?
C196 C195 1.3900 . ?
C196 C197 1.3900 . ?
C195 H195 0.9500 . ?
C195 C194 1.3900 . ?
C194 C193 1.3900 . ?
C194 C216 1.430(2) . ?
C193 H193 0.9500 . ?
C193 N192 1.3900 . ?
N192 C197 1.3900 . ?
N192 C198 1.476(18) . ?
C197 H197 0.9500 . ?
C296 C295 1.3900 . ?
C296 C297 1.3900 . ?
C295 C300 1.3900 . ?
C300 C299 1.3900 . ?
C300 C301 1.457(19) . ?
C299 H299 0.9500 . ?
C299 C298 1.3900 . ?
C298 C297 1.3900 . ?
C298 C369 1.556(19) . ?
C297 H297 0.9500 . ?
N309 C314 1.3900 . ?
N309 C310 1.3900 . ?
C314 H314 0.9500 . ?
C314 C313 1.3900 . ?
C313 H313 0.9500 . ?
C313 C312 1.3900 . ?
C312 H312 0.9500 . ?
C312 C311 1.3900 . ?
C311 C310 1.3900 . ?
C310 H310 0.9500 . ?
C402 C403 1.32(2) . ?
C452 H452 0.9500 . ?
C452 C451 1.42(2) . ?
C22 C21 1.3900 . ?
C22 C37 1.3900 . ?
C21 C40 1.3900 . ?
C40 H40 0.9500 . ?
C40 C39 1.3900 . ?
C39 C38 1.3900 . ?
C39 C109 1.49(2) . ?
C38 H38 0.9500 . ?
C38 C37 1.3900 . ?
C37 C36 1.438(11) . ?
C486 H48A 0.9800 . ?
C486 H48B 0.9800 . ?
C486 H48C 0.9800 . ?
C237 C154 1.534(18) . ?
C237 C238 1.550(2) . ?
C237 C239 1.550(2) . ?
C237 C240 1.549(2) . ?
N291 H291 0.8800 . ?
N291 C292 1.407(16) . ?
C379 C384 1.3900 . ?
C379 C380 1.3900 . ?
C384 C383 1.3900 . ?
C383 H383 0.9500 . ?
C383 C382 1.3900 . ?
C382 C381 1.3900 . ?
C382 C477 1.550(2) . ?
C381 H381 0.9500 . ?
C381 C380 1.3900 . ?
C380 C463 1.42(2) . ?
C49 H49 0.9500 . ?
C49 C48 1.3900 . ?
C49 C50 1.3900 . ?
C48 C47 1.3900 . ?
C48 C99 1.430(2) . ?
C47 C52 1.3900 . ?
C52 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C50 1.3900 . ?
C50 C121 1.550(2) . ?
C472 C458 1.46(2) . ?
C436 H436 0.9500 . ?
C436 C437 1.37(2) . ?
C332 H332 0.9500 . ?
C332 C331 1.3900 . ?
C332 C333 1.3900 . ?
C331 H331 0.9500 . ?
C331 N330 1.3900 . ?
N330 C335 1.3900 . ?
N330 C336 1.444(17) . ?
C335 H335 0.9500 . ?
C335 C334 1.3900 . ?
C334 C333 1.3900 . ?
C334 C348 1.432(2) . ?
C333 H333 0.9500 . ?
C25 C24 1.3900 . ?
C25 C33 1.3900 . ?
C25 N26 1.345(16) . ?
C24 C36 1.3900 . ?
C36 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C34 1.3900 . ?
C34 H34 0.9500 . ?
C34 C33 1.3900 . ?
C33 C32 1.430(12) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 N61 1.484(15) . ?
C451 C469 1.401(2) . ?
C451 C450 1.409(19) . ?
C99 C100 1.206(11) . ?
C427 H427 0.9500 . ?
C427 C428 1.41(2) . ?
C219 C220 1.203(10) . ?
C219 C152 1.430(2) . ?
C101 C104 1.550(2) . ?
C101 C103 1.550(2) . ?
C101 C102 1.549(2) . ?
C303 H303 0.9500 . ?
C303 C302 1.32(2) . ?
C403 H403 0.9500 . ?
C124 H12D 0.9800 . ?
C124 H12E 0.9800 . ?
C124 H12F 0.9800 . ?
C124 C121 1.546(18) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C111 C109 1.51(2) . ?
C302 H302 0.9500 . ?
C302 C301 1.47(2) . ?
C453 H45A 0.9800 . ?
C453 H45B 0.9800 . ?
C453 H45C 0.9800 . ?
C361 C363 1.550(2) . ?
C361 C278 1.56(2) . ?
C361 C364 1.550(2) . ?
C361 C362 1.549(2) . ?
C455 H455 0.9500 . ?
C106 H10D 0.9800 . ?
C106 H10E 0.9800 . ?
C106 H10F 0.9800 . ?
C106 C105 1.550(2) . ?
C437 H437 0.9500 . ?
C437 C438 1.31(2) . ?
N26 H26 0.8800 . ?
N26 C27 1.363(14) . ?
C460 H46A 0.9800 . ?
C460 H46B 0.9800 . ?
C460 H46C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C459 H459 0.9500 . ?
C459 C458 1.29(2) . ?
C448 H448 0.9500 . ?
C288 H288 0.9500 . ?
C288 C287 1.44(2) . ?
C7 C12 1.3900 . ?
C7 C8 1.3900 . ?
C12 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C10 1.3900 . ?
C10 C9 1.3900 . ?
C10 C105 1.595(18) . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C105 C108 1.550(2) . ?
C229 C231 1.549(2) . ?
C229 C230 1.549(2) . ?
C229 C232 1.549(2) . ?
C229 C134 1.550(2) . ?
C66 H66 0.9500 . ?
C66 C65 1.3900 . ?
C66 N61 1.3900 . ?
C65 H65 0.9500 . ?
C65 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C63 1.3900 . ?
C63 C62 1.3900 . ?
C63 C89 1.430(2) . ?
C62 H62 0.9500 . ?
C62 N61 1.3900 . ?
C450 H450 0.9500 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C458 C457 1.44(2) . ?
C428 C429 1.39(2) . ?
C434 H434 0.9500 . ?
C350 H35A 0.9800 . ?
C350 H35B 0.9800 . ?
C350 H35C 0.9800 . ?
C350 C349 1.549(2) . ?
C286 H286 0.9500 . ?
C286 C287 1.41(2) . ?
C366 H36D 0.9800 . ?
C366 H36E 0.9800 . ?
C366 H36F 0.9800 . ?
C345 C346 1.171(16) . ?
C138 H138 0.9500 . ?
C138 C137 1.3900 . ?
C138 C139 1.3900 . ?
C137 C129 1.3900 . ?
C137 C136 1.467(13) . ?
C129 C128 1.3900 . ?
C128 C140 1.3900 . ?
C140 C139 1.3900 . ?
C140 C141 1.418(12) . ?
C139 H139 0.9500 . ?
C245 C247 1.55(2) . ?
C245 C248 1.52(2) . ?
C245 C246 1.53(2) . ?
C152 C151 1.3900 . ?
C152 C153 1.3900 . ?
C151 C156 1.3900 . ?
C156 C155 1.3900 . ?
C155 H155 0.9500 . ?
C155 C154 1.3900 . ?
C154 C153 1.3900 . ?
C153 H153 0.9500 . ?
C213 C214 1.223(11) . ?
C487 H48D 0.9800 . ?
C487 H48E 0.9800 . ?
C487 H48F 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C104 H10L 0.9800 . ?
C438 H438 0.9500 . ?
C258 C353 1.550(2) . ?
C258 C259 1.40(2) . ?
C121 C122 1.568(19) . ?
C166 C165 1.3900 . ?
C166 C181 1.3900 . ?
C165 C184 1.3900 . ?
C184 H184 0.9500 . ?
C184 C183 1.3900 . ?
C183 C182 1.3900 . ?
C183 C241 1.549(2) . ?
C182 H182 0.9500 . ?
C182 C181 1.3900 . ?
C247 H24A 0.9800 . ?
C247 H24B 0.9800 . ?
C247 H24C 0.9800 . ?
C191 H19A 0.9800 . ?
C191 H19B 0.9800 . ?
C191 H19C 0.9800 . ?
C109 C110 1.47(2) . ?
C109 C112 1.50(2) . ?
C205 H20A 0.9800 . ?
C205 H20B 0.9800 . ?
C205 H20C 0.9800 . ?
C212 H21A 0.9800 . ?
C212 H21B 0.9800 . ?
C212 H21C 0.9800 . ?
C353 C355 1.550(2) . ?
C353 C356 1.550(2) . ?
C353 C354 1.550(2) . ?
C457 H457 0.9500 . ?
C248 H24D 0.9800 . ?
C248 H24E 0.9800 . ?
C248 H24F 0.9800 . ?
C336 H33A 0.9800 . ?
C336 H33B 0.9800 . ?
C336 H33C 0.9800 . ?
C246 H24G 0.9800 . ?
C246 H24H 0.9800 . ?
C246 H24I 0.9800 . ?
C363 H36G 0.9800 . ?
C363 H36H 0.9800 . ?
C363 H36I 0.9800 . ?
C287 C357 1.550(2) . ?
C103 H10M 0.9800 . ?
C103 H10N 0.9800 . ?
C103 H10O 0.9800 . ?
C369 C372 1.550(2) . ?
C369 C371 1.550(2) . ?
C369 C370 1.550(2) . ?
C329 H32A 0.9800 . ?
C329 H32B 0.9800 . ?
C329 H32C 0.9800 . ?
C278 C277 1.41(2) . ?
C322 H32D 0.9800 . ?
C322 H32E 0.9800 . ?
C322 H32F 0.9800 . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C102 H10P 0.9800 . ?
C102 H10Q 0.9800 . ?
C102 H10R 0.9800 . ?
C352 H35D 0.9800 . ?
C352 H35E 0.9800 . ?
C352 H35F 0.9800 . ?
C352 C349 1.550(2) . ?
C351 H35G 0.9800 . ?
C351 H35H 0.9800 . ?
C351 H35I 0.9800 . ?
C351 C349 1.550(2) . ?
C439 H43A 0.9800 . ?
C439 H43B 0.9800 . ?
C439 H43C 0.9800 . ?
C198 H19D 0.9800 . ?
C198 H19E 0.9800 . ?
C198 H19F 0.9800 . ?
C493 C495 1.549(2) . ?
C493 C494 1.549(2) . ?
C493 C496 1.550(2) . ?
C359 H35J 0.9800 . ?
C359 H35K 0.9800 . ?
C359 H35L 0.9800 . ?
C359 C357 1.550(2) . ?
C364 H36J 0.9800 . ?
C364 H36K 0.9800 . ?
C364 H36L 0.9800 . ?
C234 H23A 0.9800 . ?
C234 H23B 0.9800 . ?
C234 H23C 0.9800 . ?
C234 C233 1.550(2) . ?
C143 C142 1.3900 . ?
C143 C144 1.3900 . ?
C143 C225 1.5499(15) . ?
C142 H142 0.9500 . ?
C142 C141 1.3900 . ?
C141 C126 1.3900 . ?
C126 C125 1.3900 . ?
C125 C144 1.3900 . ?
C125 C214 1.430(2) . ?
C144 H144 0.9500 . ?
C355 H35M 0.9800 . ?
C355 H35N 0.9800 . ?
C355 H35O 0.9800 . ?
C367 H36M 0.9800 . ?
C367 H36N 0.9800 . ?
C367 H36O 0.9800 . ?
C356 H35P 0.9800 . ?
C356 H35Q 0.9800 . ?
C356 H35R 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C231 H23D 0.9800 . ?
C231 H23E 0.9800 . ?
C231 H23F 0.9800 . ?
C495 H49A 0.9800 . ?
C495 H49B 0.9800 . ?
C495 H49C 0.9800 . ?
C238 H23G 0.9800 . ?
C238 H23H 0.9800 . ?
C238 H23I 0.9800 . ?
C259 H259 0.9500 . ?
C233 C236 1.550(2) . ?
C233 C235 1.549(2) . ?
C277 H277 0.9500 . ?
C488 H48G 0.9800 . ?
C488 H48H 0.9800 . ?
C488 H48I 0.9800 . ?
C119 H11G 0.9800 . ?
C119 H11H 0.9800 . ?
C119 H11I 0.9800 . ?
C119 C117 1.550(2) . ?
C230 H23J 0.9800 . ?
C230 H23K 0.9800 . ?
C230 H23L 0.9800 . ?
C446 H44A 0.9800 . ?
C446 H44B 0.9800 . ?
C446 H44C 0.9800 . ?
C502 C501 1.3900 . ?
C502 C497 1.3900 . ?
C501 C500 1.3900 . ?
C500 C499 1.3900 . ?
C499 C498 1.3900 . ?
C498 C497 1.3900 . ?
C239 H23M 0.9800 . ?
C239 H23N 0.9800 . ?
C239 H23O 0.9800 . ?
C232 H23P 0.9800 . ?
C232 H23Q 0.9800 . ?
C232 H23R 0.9800 . ?
C494 H49D 0.9800 . ?
C494 H49E 0.9800 . ?
C494 H49F 0.9800 . ?
C240 H24J 0.9800 . ?
C240 H24K 0.9800 . ?
C240 H24L 0.9800 . ?
C372 H37A 0.9800 . ?
C372 H37B 0.9800 . ?
C372 H37C 0.9800 . ?
C112 H11J 0.9800 . ?
C112 H11K 0.9800 . ?
C112 H11L 0.9800 . ?
C236 H23S 0.9800 . ?
C236 H23T 0.9800 . ?
C236 H23U 0.9800 . ?
C235 H23V 0.9800 . ?
C235 H23W 0.9800 . ?
C235 H23X 0.9800 . ?
C478 H47D 0.9800 . ?
C478 H47E 0.9800 . ?
C478 H47F 0.9800 . ?
C478 C477 1.550(2) . ?
C120 H12J 0.9800 . ?
C120 H12K 0.9800 . ?
C120 H12L 0.9800 . ?
C120 C117 1.549(2) . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C371 H37D 0.9800 . ?
C371 H37E 0.9800 . ?
C371 H37F 0.9800 . ?
C360 H36P 0.9800 . ?
C360 H36Q 0.9800 . ?
C360 H36R 0.9800 . ?
C360 C357 1.550(2) . ?
C358 H35S 0.9800 . ?
C358 H35T 0.9800 . ?
C358 H35U 0.9800 . ?
C358 C357 1.550(2) . ?
C370 H37G 0.9800 . ?
C370 H37H 0.9800 . ?
C370 H37I 0.9800 . ?
C477 C480 1.549(2) . ?
C117 C118 1.549(2) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C354 H35V 0.9800 . ?
C354 H35W 0.9800 . ?
C354 H35X 0.9800 . ?
C243 H24M 0.9800 . ?
C243 H24N 0.9800 . ?
C243 H24O 0.9800 . ?
C243 C241 1.549(2) . ?
C490 H49G 0.9800 . ?
C490 H49H 0.9800 . ?
C490 H49I 0.9800 . ?
C490 C489 1.550(2) . ?
C491 H49J 0.9800 . ?
C491 H49K 0.9800 . ?
C491 H49L 0.9800 . ?
C491 C489 1.550(2) . ?
C244 H24P 0.9800 . ?
C244 H24Q 0.9800 . ?
C244 H24R 0.9800 . ?
C244 C241 1.5498(16) . ?
C27 C32 1.3900 . ?
C27 C28 1.3900 . ?
C32 C31 1.3900 . ?
C31 H31 0.9500 . ?
C31 C30 1.3900 . ?
C30 C29 1.3900 . ?
C30 C113 1.551(2) . ?
C29 H29 0.9500 . ?
C29 C28 1.3900 . ?
C225 C226 1.549(2) . ?
C225 C227 1.549(2) . ?
C225 C228 1.550(2) . ?
C492 H49M 0.9800 . ?
C492 H49N 0.9800 . ?
C492 H49O 0.9800 . ?
C492 C489 1.549(2) . ?
C242 H24S 0.9800 . ?
C242 H24T 0.9800 . ?
C242 H24U 0.9800 . ?
C242 C241 1.5498(15) . ?
C132 C131 1.3900 . ?
C132 C133 1.3900 . ?
C131 C136 1.3900 . ?
C136 C135 1.3900 . ?
C135 H135 0.9500 . ?
C135 C134 1.3900 . ?
C134 C133 1.3900 . ?
C133 H133 0.9500 . ?
C480 H48J 0.9800 . ?
C480 H48K 0.9800 . ?
C480 H48L 0.9800 . ?
C431 C430 1.3900 . ?
C431 C432 1.3900 . ?
C431 C489 1.550(2) . ?
C430 H430 0.9500 . ?
C430 C429 1.3900 . ?
C429 C414 1.3900 . ?
C414 C413 1.3900 . ?
C413 C432 1.3900 . ?
C432 H432 0.9500 . ?
C496 H49P 0.9800 . ?
C496 H49Q 0.9800 . ?
C496 H49R 0.9800 . ?
C481 C482 1.550(2) . ?
C481 C484 1.549(2) . ?
C481 C483 1.550(2) . ?
C362 H36S 0.9800 . ?
C362 H36T 0.9800 . ?
C362 H36U 0.9800 . ?
C118 H11M 0.9800 . ?
C118 H11N 0.9800 . ?
C118 H11O 0.9800 . ?
C113 C114 1.549(2) . ?
C113 C115 1.550(2) . ?
C113 C116 1.551(2) . ?
C482 H48M 0.9800 . ?
C482 H48N 0.9800 . ?
C482 H48O 0.9800 . ?
C473 C475 1.549(2) . ?
C473 C476 1.550(2) . ?
C473 C474 1.550(2) . ?
C484 H48P 0.9800 . ?
C484 H48Q 0.9800 . ?
C484 H48R 0.9800 . ?
C483 H48S 0.9800 . ?
C483 H48T 0.9800 . ?
C483 H48U 0.9800 . ?
C475 H47G 0.9800 . ?
C475 H47H 0.9800 . ?
C475 H47I 0.9800 . ?
C476 H47J 0.9800 . ?
C476 H47K 0.9800 . ?
C476 H47L 0.9800 . ?
C474 H47M 0.9800 . ?
C474 H47N 0.9800 . ?
C474 H47O 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N395 C396 C408 C407 -177.2(10) . . . . ?
N395 C396 C408 C409 6.7(9) . . . . ?
N395 C394 C393 C412 175.3(12) . . . . ?
N395 C394 C393 C466 -7.5(15) . . . . ?
N418 C417 C416 N415 -8(4) . . . . ?
N418 C417 C416 C428 176.6(17) . . . . ?
N418 C417 C425 C426 -175.0(14) . . . . ?
N418 C417 C425 C424 4(2) . . . . ?
N418 C419 C424 C425 4.6(11) . . . . ?
N418 C419 C424 C423 -175.2(11) . . . . ?
N294 C293 C292 C304 -177.7(17) . . . . ?
N294 C293 C292 N291 -5(4) . . . . ?
N294 C293 C301 C300 3.0(19) . . . . ?
N294 C293 C301 C302 177.8(14) . . . . ?
N294 C295 C300 C299 178.7(10) . . . . ?
N294 C295 C300 C301 -0.2(10) . . . . ?
N6 C5 C4 N3 2.2(14) . . . . ?
N6 C5 C4 C16 -176.8(12) . . . . ?
N6 C7 C12 C13 0.5(9) . . . . ?
N6 C7 C12 C11 -177.6(10) . . . . ?
N6 C7 C8 C91 -5.1(14) . . . . ?
N6 C7 C8 C9 177.1(13) . . . . ?
N398 C399 C404 C405 -1.0(18) . . . . ?
N398 C399 C404 C403 178.2(15) . . . . ?
N398 C399 C400 C467 -1(3) . . . . ?
N398 C399 C400 C401 -176.1(16) . . . . ?
N398 C397 C396 N395 -6.3(14) . . . . ?
N398 C397 C396 C408 177.1(12) . . . . ?
N398 C397 C405 C404 0.3(10) . . . . ?
N398 C397 C405 C406 -177.7(9) . . . . ?
N323 C328 C327 C326 4(3) . . . . ?
N323 C328 C327 C345 -177.0(15) . . . . ?
N447 C452 C451 C469 -179.0(16) . . . . ?
N447 C452 C451 C450 -1(3) . . . . ?
N251 C252 C264 C263 -178.4(10) . . . . ?
N251 C252 C264 C265 2.5(9) . . . . ?
N251 C252 C253 N254 0.9(14) . . . . ?
N251 C252 C253 C261 178.0(12) . . . . ?
N127 C128 C140 C139 -177.6(10) . . . . ?
N127 C128 C140 C141 1.3(10) . . . . ?
N127 C126 C125 C144 -178.0(14) . . . . ?
N127 C126 C125 C214 -1.4(15) . . . . ?
N170 C171 C176 C175 -176.3(10) . . . . ?
N170 C171 C176 C177 2.2(9) . . . . ?
N170 C171 C172 C173 175.8(11) . . . . ?
N170 C171 C172 C223 -5.5(13) . . . . ?
N274 C273 C272 N271 2.2(13) . . . . ?
N274 C273 C272 C284 -176.9(11) . . . . ?
N274 C273 C281 C282 177.4(10) . . . . ?
N274 C273 C281 C280 -1.9(10) . . . . ?
N167 C168 C180 C179 -175.1(10) . . . . ?
N167 C168 C180 C181 -4.0(10) . . . . ?
N167 C168 C169 N170 -7.6(14) . . . . ?
N167 C168 C169 C177 174.3(12) . . . . ?
N167 C166 C165 C222 -1.9(15) . . . . ?
N167 C166 C165 C184 -179.2(13) . . . . ?
N167 C166 C181 C180 -1.3(10) . . . . ?
N167 C166 C181 C182 179.3(10) . . . . ?
N271 C272 C284 C283 -179.3(9) . . . . ?
N271 C272 C284 C285 -4.4(10) . . . . ?
N271 C270 C269 C342 -1(3) . . . . ?
N271 C270 C269 C288 -171.0(16) . . . . ?
C399 N398 C397 C396 -178.3(9) . . . . ?
C399 N398 C397 C405 -1.0(13) . . . . ?
C399 C404 C405 C397 0.4(14) . . . . ?
C399 C404 C405 C406 178.0(9) . . . . ?
C399 C404 C403 C402 0(3) . . . . ?
C399 C400 C401 C402 -1(3) . . . . ?
N415 C416 C428 C427 -176.2(16) . . . . ?
N415 C416 C428 C429 1(2) . . . . ?
N415 C414 C413 C470 -6.3(15) . . . . ?
N415 C414 C413 C432 174.9(14) . . . . ?
C417 N418 C419 C420 -176.4(10) . . . . ?
C417 N418 C419 C424 -1.9(14) . . . . ?
C417 C416 C428 C427 0(3) . . . . ?
C417 C416 C428 C429 177.8(16) . . . . ?
C417 C425 C426 C427 -5(3) . . . . ?
C417 C425 C424 C419 -5.6(17) . . . . ?
C417 C425 C424 C423 174.3(11) . . . . ?
N3 C4 C16 C15 -179.1(11) . . . . ?
N3 C4 C16 C17 3.2(9) . . . . ?
N3 C2 C1 C90 -1.1(13) . . . . ?
N3 C2 C1 C20 176.0(10) . . . . ?
N3 C2 C17 C16 1.4(9) . . . . ?
N3 C2 C17 C18 -176.5(9) . . . . ?
N378 C377 C376 N375 -9.6(14) . . . . ?
N378 C377 C376 C388 176.6(12) . . . . ?
N378 C377 C385 C386 -177.3(10) . . . . ?
N378 C377 C385 C384 4.5(9) . . . . ?
N378 C379 C384 C385 4.2(9) . . . . ?
N378 C379 C384 C383 -176.0(9) . . . . ?
N378 C379 C380 C381 174.8(12) . . . . ?
N378 C379 C380 C463 -8.7(13) . . . . ?
C13 C5 C4 N3 179.0(12) . . . . ?
C13 C5 C4 C16 0.0 . . . . ?
C13 C12 C11 C10 -177.4(11) . . . . ?
C5 N6 C7 C12 -1.7(12) . . . . ?
C5 N6 C7 C8 -179.0(8) . . . . ?
C5 C13 C14 C15 0.0 . . . . ?
C5 C13 C12 C7 0.9(7) . . . . ?
C5 C13 C12 C11 178.6(8) . . . . ?
C5 C4 C16 C15 0.0 . . . . ?
C5 C4 C16 C17 -177.7(9) . . . . ?
C4 N3 C2 C1 -175.8(8) . . . . ?
C4 N3 C2 C17 0.4(11) . . . . ?
C4 C16 C15 C14 0.0 . . . . ?
C4 C16 C17 C2 -2.7(7) . . . . ?
C4 C16 C17 C18 174.6(8) . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C16 C17 C2 -180.0(8) . . . . ?
C15 C16 C17 C18 -2.7(16) . . . . ?
C14 C13 C5 N6 177.4(10) . . . . ?
C14 C13 C5 C4 0.0 . . . . ?
C14 C13 C12 C7 -178.4(7) . . . . ?
C14 C13 C12 C11 -0.7(15) . . . . ?
N454 C459 C458 C472 -178.8(15) . . . . ?
N454 C459 C458 C457 6(3) . . . . ?
C273 N274 C275 C276 176.7(16) . . . . ?
C273 N274 C275 C280 -3.1(17) . . . . ?
C273 C272 C284 C283 0.0 . . . . ?
C273 C272 C284 C285 174.9(10) . . . . ?
C273 C281 C280 C279 -172.8(18) . . . . ?
C273 C281 C280 C275 -0.2(15) . . . . ?
C272 N271 C270 C285 1.6(18) . . . . ?
C272 N271 C270 C269 175.6(14) . . . . ?
C272 C273 C281 C282 0.0 . . . . ?
C272 C273 C281 C280 -179.2(11) . . . . ?
C272 C284 C283 C282 0.0 . . . . ?
C272 C284 C285 C270 5.4(15) . . . . ?
C272 C284 C285 C286 -171.4(19) . . . . ?
C284 C283 C282 C281 0.0 . . . . ?
C284 C285 C270 N271 -4.4(19) . . . . ?
C284 C285 C270 C269 -178.3(15) . . . . ?
C284 C285 C286 C287 177.1(16) . . . . ?
C283 C284 C285 C270 179.4(10) . . . . ?
C283 C284 C285 C286 3(3) . . . . ?
C283 C282 C281 C273 0.0 . . . . ?
C283 C282 C281 C280 179.0(15) . . . . ?
C282 C281 C280 C279 8(3) . . . . ?
C282 C281 C280 C275 -179.2(10) . . . . ?
C281 C273 C272 N271 179.1(11) . . . . ?
C281 C273 C272 C284 0.0 . . . . ?
C281 C280 C279 C278 173.0(17) . . . . ?
C281 C280 C275 N274 2.0(19) . . . . ?
C281 C280 C275 C276 -177.7(15) . . . . ?
N147 C146 C145 C164 179.2(12) . . . . ?
N147 C146 C145 C218 -6.4(13) . . . . ?
N147 C146 C161 C162 -179.4(10) . . . . ?
N147 C146 C161 C160 1.2(9) . . . . ?
N147 C148 C160 C161 -0.3(9) . . . . ?
N147 C148 C160 C159 -179.0(9) . . . . ?
N147 C148 C149 N150 -1.3(13) . . . . ?
N147 C148 C149 C157 178.8(11) . . . . ?
N43 C42 C41 C60 -178.6(13) . . . . ?
N43 C42 C41 C98 -2.3(14) . . . . ?
N43 C42 C57 C58 178.9(10) . . . . ?
N43 C42 C57 C56 0.5(9) . . . . ?
N43 C44 C56 C57 0.7(9) . . . . ?
N43 C44 C56 C55 -179.9(10) . . . . ?
N23 C22 C21 C94 7.1(14) . . . . ?
N23 C22 C21 C40 -167.6(13) . . . . ?
N23 C22 C37 C38 170.1(10) . . . . ?
N23 C22 C37 C36 -4.8(9) . . . . ?
N23 C24 C36 C37 0.3(9) . . . . ?
N23 C24 C36 C35 -176.5(10) . . . . ?
C171 N170 C169 C168 179.0(8) . . . . ?
C171 N170 C169 C177 -2.7(11) . . . . ?
C171 C176 C175 C174 0.0 . . . . ?
C171 C176 C177 C178 179.1(7) . . . . ?
C171 C176 C177 C169 -4.0(7) . . . . ?
C176 C171 C172 C173 0.0 . . . . ?
C176 C171 C172 C223 178.7(12) . . . . ?
C176 C175 C174 C173 0.0 . . . . ?
C176 C175 C174 C245 173.7(11) . . . . ?
C176 C177 C169 N170 4.3(9) . . . . ?
C176 C177 C169 C168 -177.2(9) . . . . ?
C175 C176 C177 C178 -2.8(16) . . . . ?
C175 C176 C177 C169 174.1(8) . . . . ?
C175 C174 C173 C172 0.0 . . . . ?
C175 C174 C245 C247 172.1(11) . . . . ?
C175 C174 C245 C248 52.9(16) . . . . ?
C175 C174 C245 C246 -70.8(16) . . . . ?
C174 C173 C172 C171 0.0 . . . . ?
C174 C173 C172 C223 -178.8(11) . . . . ?
C173 C174 C245 C247 -14.6(19) . . . . ?
C173 C174 C245 C248 -133.7(12) . . . . ?
C173 C174 C245 C246 102.6(15) . . . . ?
C172 C171 C176 C175 0.0 . . . . ?
C172 C171 C176 C177 178.5(9) . . . . ?
C146 N147 C148 C160 1.1(11) . . . . ?
C146 N147 C148 C149 -177.8(8) . . . . ?
C146 C145 C164 C163 0.0 . . . . ?
C146 C161 C160 C148 -0.6(7) . . . . ?
C146 C161 C160 C159 177.9(7) . . . . ?
C145 C146 C161 C162 0.0 . . . . ?
C145 C146 C161 C160 -179.4(8) . . . . ?
C145 C164 C163 C162 0.0 . . . . ?
C145 C164 C163 C233 175.7(11) . . . . ?
C164 C163 C162 C161 0.0 . . . . ?
C164 C163 C233 C234 -106.3(14) . . . . ?
C164 C163 C233 C236 14.4(17) . . . . ?
C164 C163 C233 C235 128.6(13) . . . . ?
C163 C162 C161 C146 0.0 . . . . ?
C163 C162 C161 C160 179.2(11) . . . . ?
C162 C163 C233 C234 69.4(15) . . . . ?
C162 C163 C233 C236 -169.8(11) . . . . ?
C162 C163 C233 C235 -55.6(16) . . . . ?
C162 C161 C160 C148 -179.8(7) . . . . ?
C162 C161 C160 C159 -1.4(14) . . . . ?
C161 C146 C145 C164 0.0 . . . . ?
C161 C146 C145 C218 174.4(10) . . . . ?
C161 C160 C159 C158 -178.3(11) . . . . ?
C416 N415 C414 C429 -1.4(15) . . . . ?
C416 N415 C414 C413 -176.8(11) . . . . ?
C416 C417 C425 C426 2(3) . . . . ?
C416 C417 C425 C424 -178.9(16) . . . . ?
C416 C428 C429 C430 176.1(10) . . . . ?
C416 C428 C429 C414 -2.4(16) . . . . ?
N375 C374 C373 C462 -4.8(13) . . . . ?
N375 C374 C373 C392 176.8(12) . . . . ?
N375 C376 C388 C389 8.1(9) . . . . ?
N375 C376 C388 C387 -175.0(9) . . . . ?
C339 C256 C257 C258 -173.5(15) . . . . ?
C339 C256 C255 N254 -12(3) . . . . ?
C339 C256 C255 C260 177.5(16) . . . . ?
C328 N323 C324 C325 -4(3) . . . . ?
C328 C327 C326 C325 -8(3) . . . . ?
C347 C296 C295 N294 -1.7(14) . . . . ?
C347 C296 C295 C300 176.8(11) . . . . ?
C347 C296 C297 C298 -176.9(11) . . . . ?
C218 C145 C164 C163 -174.4(10) . . . . ?
C218 C217 C196 C195 34(10) . . . . ?
C218 C217 C196 C197 -146(9) . . . . ?
C92 C70 C69 N68 178.5(11) . . . . ?
C468 C449 C448 N447 178.8(13) . . . . ?
C468 C449 C450 C451 -178.6(15) . . . . ?
N150 C151 C156 C157 -2.8(9) . . . . ?
N150 C151 C156 C155 177.7(10) . . . . ?
C93 C72 C71 C70 -175.4(11) . . . . ?
C93 C72 C73 N68 175.6(10) . . . . ?
C72 C71 C70 C92 -178.5(11) . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C71 C72 C73 N68 0.0 . . . . ?
C71 C70 C69 N68 0.0 . . . . ?
C70 C69 N68 C73 0.0 . . . . ?
C70 C69 N68 C74 179.8(10) . . . . ?
C69 N68 C73 C72 0.0 . . . . ?
C73 C72 C71 C70 0.0 . . . . ?
N130 C129 C128 N127 -2.1(15) . . . . ?
N130 C129 C128 C140 -179.1(13) . . . . ?
N130 C131 C136 C137 -0.2(10) . . . . ?
N130 C131 C136 C135 -178.7(10) . . . . ?
C90 C1 C20 C19 177.3(11) . . . . ?
N82 C87 C86 C85 0.0 . . . . ?
N82 C87 C86 C100 -178.4(10) . . . . ?
C87 N82 C83 C84 0.0 . . . . ?
C87 C86 C85 C84 0.0 . . . . ?
C86 C85 C84 C83 0.0 . . . . ?
C85 C84 C83 N82 0.0 . . . . ?
C83 N82 C87 C86 0.0 . . . . ?
C2 N3 C4 C5 178.8(8) . . . . ?
C2 N3 C4 C16 -2.2(11) . . . . ?
C2 C1 C20 C19 0.0 . . . . ?
C1 C2 C17 C16 177.8(9) . . . . ?
C1 C2 C17 C18 0.0 . . . . ?
C1 C20 C19 C18 0.0 . . . . ?
C1 C20 C19 C101 178.5(10) . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C20 C19 C101 C104 60.1(14) . . . . ?
C20 C19 C101 C103 177.5(9) . . . . ?
C20 C19 C101 C102 -61.8(14) . . . . ?
C19 C18 C17 C16 -176.9(12) . . . . ?
C19 C18 C17 C2 0.0 . . . . ?
C18 C19 C101 C104 -121.3(12) . . . . ?
C18 C19 C101 C103 -4.0(14) . . . . ?
C18 C19 C101 C102 116.8(12) . . . . ?
C17 C16 C15 C14 177.1(12) . . . . ?
C17 C2 C1 C90 -177.1(12) . . . . ?
C17 C2 C1 C20 0.0 . . . . ?
C260 C261 C253 N254 1.4(10) . . . . ?
C260 C261 C253 C252 -176.3(10) . . . . ?
C289 C308 C307 C306 0.0 . . . . ?
C289 C308 C307 C365 174.2(10) . . . . ?
C289 C290 N291 C292 177.3(9) . . . . ?
C308 C289 C290 C305 0.0 . . . . ?
C308 C289 C290 N291 -177.3(12) . . . . ?
C308 C307 C306 C305 0.0 . . . . ?
C308 C307 C365 C368 62.1(12) . . . . ?
C308 C307 C365 C366 -59.1(14) . . . . ?
C308 C307 C365 C367 177.7(10) . . . . ?
C307 C306 C305 C290 0.0 . . . . ?
C307 C306 C305 C304 174.1(13) . . . . ?
C306 C307 C365 C368 -123.8(10) . . . . ?
C306 C307 C365 C366 115.1(11) . . . . ?
C306 C307 C365 C367 -8.2(15) . . . . ?
C306 C305 C290 C289 0.0 . . . . ?
C306 C305 C290 N291 177.8(10) . . . . ?
C306 C305 C304 C292 -178.2(9) . . . . ?
C306 C305 C304 C303 7(3) . . . . ?
C305 C290 N291 C292 -0.3(13) . . . . ?
C305 C304 C292 C293 177.5(15) . . . . ?
C305 C304 C292 N291 3.4(18) . . . . ?
C305 C304 C303 C302 -174.8(17) . . . . ?
C290 C289 C308 C307 0.0 . . . . ?
C290 C305 C304 C292 -3.6(14) . . . . ?
C290 C305 C304 C303 -179(2) . . . . ?
C290 N291 C292 C304 -2.1(18) . . . . ?
C290 N291 C292 C293 -175.7(17) . . . . ?
C252 N251 C250 C249 179.5(7) . . . . ?
C252 N251 C250 C265 2.1(12) . . . . ?
C252 C264 C263 C262 0.0 . . . . ?
C252 C264 C265 C266 -179.1(7) . . . . ?
C252 C264 C265 C250 -1.2(7) . . . . ?
C264 C252 C253 N254 -177.1(11) . . . . ?
C264 C252 C253 C261 0.0 . . . . ?
C264 C263 C262 C261 0.0 . . . . ?
C264 C265 C250 N251 -0.6(9) . . . . ?
C264 C265 C250 C249 -178.3(8) . . . . ?
C263 C264 C265 C266 1.9(15) . . . . ?
C263 C264 C265 C250 179.8(7) . . . . ?
C263 C262 C261 C260 174.6(14) . . . . ?
C263 C262 C261 C253 0.0 . . . . ?
C262 C261 C253 N254 177.7(9) . . . . ?
C262 C261 C253 C252 0.0 . . . . ?
C261 C260 C255 N254 5.0(19) . . . . ?
C261 C260 C255 C256 177.8(12) . . . . ?
C261 C260 C259 C258 -177.1(14) . . . . ?
C253 N254 C255 C260 -4.0(18) . . . . ?
C253 N254 C255 C256 -175.4(15) . . . . ?
C253 C252 C264 C263 0.0 . . . . ?
C253 C252 C264 C265 -179.2(9) . . . . ?
C315 N309 C314 C313 -170.1(11) . . . . ?
C315 N309 C310 C311 170.1(11) . . . . ?
C344 C325 C324 N323 177.3(14) . . . . ?
C344 C325 C326 C327 -171.4(15) . . . . ?
C324 C325 C326 C327 6(2) . . . . ?
C324 N323 C328 C327 2(3) . . . . ?
C404 C399 C400 C467 173.7(14) . . . . ?
C404 C399 C400 C401 -2(3) . . . . ?
C425 C417 C416 N415 176.1(19) . . . . ?
C425 C417 C416 C428 1(3) . . . . ?
C425 C426 C427 C428 7(3) . . . . ?
C425 C424 C423 C422 -179.9(15) . . . . ?
C461 C435 C436 C437 178.9(17) . . . . ?
C461 C435 C434 N433 176.6(15) . . . . ?
C426 C425 C424 C419 173.7(17) . . . . ?
C426 C425 C424 C423 -6(3) . . . . ?
C426 C427 C428 C416 -4(3) . . . . ?
C426 C427 C428 C429 180(2) . . . . ?
N46 C45 C44 N43 -3.1(14) . . . . ?
N46 C45 C44 C56 176.9(11) . . . . ?
N46 C47 C52 C53 2.6(9) . . . . ?
N46 C47 C52 C51 179.8(10) . . . . ?
C304 C305 C290 C289 -175.4(10) . . . . ?
C304 C305 C290 N291 2.4(10) . . . . ?
C304 C303 C302 C301 -10(3) . . . . ?
C340 C318 C317 N316 177.6(12) . . . . ?
C337 C311 C310 N309 176.7(11) . . . . ?
C168 N167 C166 C165 178.2(8) . . . . ?
C168 N167 C166 C181 -1.1(12) . . . . ?
C168 C180 C179 C178 0.0 . . . . ?
C168 C180 C181 C166 3.2(7) . . . . ?
C168 C180 C181 C182 -177.6(8) . . . . ?
C180 C168 C169 N170 178.1(12) . . . . ?
C180 C168 C169 C177 0.0 . . . . ?
C180 C179 C178 C177 0.0 . . . . ?
C179 C180 C181 C166 172.0(8) . . . . ?
C179 C180 C181 C182 -8.8(17) . . . . ?
C179 C178 C177 C176 176.7(11) . . . . ?
C179 C178 C177 C169 0.0 . . . . ?
C178 C177 C169 N170 -178.6(9) . . . . ?
C178 C177 C169 C168 0.0 . . . . ?
C177 C176 C175 C174 -177.8(13) . . . . ?
C169 N170 C171 C176 0.2(12) . . . . ?
C169 N170 C171 C172 -175.8(8) . . . . ?
C169 C168 C180 C179 0.0 . . . . ?
C169 C168 C180 C181 171.1(9) . . . . ?
C326 C325 C324 N323 0(3) . . . . ?
C462 C373 C392 C391 -178.5(11) . . . . ?
C285 C284 C283 C282 -173.4(13) . . . . ?
C285 C270 C269 C342 172.1(17) . . . . ?
C285 C270 C269 C288 2(3) . . . . ?
C285 C286 C287 C288 -1(3) . . . . ?
C285 C286 C287 C357 -169.8(15) . . . . ?
C270 N271 C272 C273 -177.4(9) . . . . ?
C270 N271 C272 C284 1.8(12) . . . . ?
C270 C285 C286 C287 0(3) . . . . ?
C270 C269 C288 C287 -3(3) . . . . ?
C217 C196 C195 C194 -179.6(12) . . . . ?
C217 C196 C197 N192 179.6(11) . . . . ?
C342 C269 C288 C287 -173.4(16) . . . . ?
C42 N43 C44 C45 179.6(8) . . . . ?
C42 N43 C44 C56 -0.4(13) . . . . ?
C42 C41 C60 C59 0.0 . . . . ?
C42 C57 C56 C44 -0.7(7) . . . . ?
C42 C57 C56 C55 -179.9(7) . . . . ?
C41 C42 C57 C58 0.0 . . . . ?
C41 C42 C57 C56 -178.4(9) . . . . ?
C41 C60 C59 C58 0.0 . . . . ?
C41 C60 C59 C117 -179.8(9) . . . . ?
C60 C59 C58 C57 0.0 . . . . ?
C60 C59 C117 C119 -130.4(8) . . . . ?
C60 C59 C117 C120 112.3(8) . . . . ?
C60 C59 C117 C118 -6.1(11) . . . . ?
C59 C58 C57 C42 0.0 . . . . ?
C59 C58 C57 C56 178.1(11) . . . . ?
C58 C59 C117 C119 49.8(10) . . . . ?
C58 C59 C117 C120 -67.4(9) . . . . ?
C58 C59 C117 C118 174.2(7) . . . . ?
C58 C57 C56 C44 -179.0(7) . . . . ?
C58 C57 C56 C55 1.8(15) . . . . ?
C57 C42 C41 C60 0.0 . . . . ?
C57 C42 C41 C98 176.3(11) . . . . ?
C57 C56 C55 C54 179.1(12) . . . . ?
C467 C400 C401 C402 -176.4(15) . . . . ?
C53 C45 C44 N43 179.9(12) . . . . ?
C53 C45 C44 C56 0.0 . . . . ?
C53 C52 C51 C50 176.4(11) . . . . ?
C45 N46 C47 C48 179.5(7) . . . . ?
C45 N46 C47 C52 -0.3(11) . . . . ?
C45 C53 C54 C55 0.0 . . . . ?
C45 C53 C52 C47 -4.0(7) . . . . ?
C45 C53 C52 C51 179.3(7) . . . . ?
C45 C44 C56 C57 -179.4(8) . . . . ?
C45 C44 C56 C55 0.0 . . . . ?
C44 N43 C42 C41 178.7(8) . . . . ?
C44 N43 C42 C57 0.0(12) . . . . ?
C44 C56 C55 C54 0.0 . . . . ?
C56 C55 C54 C53 0.0 . . . . ?
C54 C53 C45 N46 -177.6(9) . . . . ?
C54 C53 C45 C44 0.0 . . . . ?
C54 C53 C52 C47 177.7(6) . . . . ?
C54 C53 C52 C51 1.0(14) . . . . ?
C224 C210 C209 C208 -178.3(12) . . . . ?
C389 C374 C373 C462 178.4(11) . . . . ?
C389 C374 C373 C392 0.0 . . . . ?
C389 C388 C387 C386 176.0(12) . . . . ?
C374 N375 C376 C377 -179.0(8) . . . . ?
C374 N375 C376 C388 -4.6(11) . . . . ?
C374 C389 C390 C391 0.0 . . . . ?
C374 C389 C388 C376 -8.3(7) . . . . ?
C374 C389 C388 C387 175.4(7) . . . . ?
C374 C373 C392 C391 0.0 . . . . ?
C373 C392 C391 C390 0.0 . . . . ?
C373 C392 C391 C473 -178.3(10) . . . . ?
C392 C391 C390 C389 0.0 . . . . ?
C392 C391 C473 C475 114.3(8) . . . . ?
C392 C391 C473 C476 -6.8(11) . . . . ?
C392 C391 C473 C474 -128.2(8) . . . . ?
C390 C389 C374 N375 -177.3(10) . . . . ?
C390 C389 C374 C373 0.0 . . . . ?
C390 C389 C388 C376 175.3(7) . . . . ?
C390 C389 C388 C387 -1.1(16) . . . . ?
C390 C391 C473 C475 -64.1(9) . . . . ?
C390 C391 C473 C476 174.8(7) . . . . ?
C390 C391 C473 C474 53.4(9) . . . . ?
C280 C279 C278 C361 -176.3(14) . . . . ?
C280 C279 C278 C277 5(3) . . . . ?
C471 C420 C419 N418 -6.7(15) . . . . ?
C471 C420 C419 C424 179.3(12) . . . . ?
C148 N147 C146 C145 179.3(7) . . . . ?
C148 N147 C146 C161 -1.4(11) . . . . ?
C148 C160 C159 C158 0.0 . . . . ?
C160 C148 C149 N150 179.9(11) . . . . ?
C160 C148 C149 C157 0.0 . . . . ?
C160 C159 C158 C157 0.0 . . . . ?
C159 C158 C157 C149 0.0 . . . . ?
C159 C158 C157 C156 -179.2(12) . . . . ?
C158 C157 C149 N150 -179.9(10) . . . . ?
C158 C157 C149 C148 0.0 . . . . ?
C158 C157 C156 C151 -178.8(7) . . . . ?
C158 C157 C156 C155 0.6(15) . . . . ?
C157 C156 C155 C154 -179.3(11) . . . . ?
C149 N150 C151 C152 179.8(8) . . . . ?
C149 N150 C151 C156 2.4(11) . . . . ?
C149 C148 C160 C161 178.7(8) . . . . ?
C149 C148 C160 C159 0.0 . . . . ?
C149 C157 C156 C151 2.0(7) . . . . ?
C149 C157 C156 C155 -178.6(7) . . . . ?
C377 N378 C379 C384 -1.5(11) . . . . ?
C377 N378 C379 C380 -176.7(8) . . . . ?
C377 C376 C388 C389 -177.0(9) . . . . ?
C377 C376 C388 C387 0.0 . . . . ?
C377 C385 C384 C379 -5.4(7) . . . . ?
C377 C385 C384 C383 174.8(7) . . . . ?
C376 N375 C374 C389 -0.7(11) . . . . ?
C376 N375 C374 C373 -177.8(8) . . . . ?
C376 C377 C385 C386 0.0 . . . . ?
C376 C377 C385 C384 -178.2(9) . . . . ?
C376 C388 C387 C386 0.0 . . . . ?
C388 C389 C374 N375 5.7(9) . . . . ?
C388 C389 C374 C373 -177.0(9) . . . . ?
C388 C389 C390 C391 176.1(12) . . . . ?
C388 C387 C386 C385 0.0 . . . . ?
C387 C386 C385 C377 0.0 . . . . ?
C387 C386 C385 C384 177.6(11) . . . . ?
C386 C385 C384 C379 176.8(7) . . . . ?
C386 C385 C384 C383 -3.0(15) . . . . ?
C385 C377 C376 N375 173.8(11) . . . . ?
C385 C377 C376 C388 0.0 . . . . ?
C385 C384 C383 C382 179.8(11) . . . . ?
C279 C280 C275 N274 176.2(13) . . . . ?
C279 C280 C275 C276 -4(3) . . . . ?
C279 C278 C277 C276 -9(3) . . . . ?
C343 C276 C275 N274 4(3) . . . . ?
C343 C276 C275 C280 -176.3(17) . . . . ?
C343 C276 C277 C278 -177.5(16) . . . . ?
C269 C288 C287 C286 3(3) . . . . ?
C269 C288 C287 C357 171.1(16) . . . . ?
C203 C202 C201 C200 0.0 . . . . ?
C203 C202 C201 C220 -178.9(10) . . . . ?
C202 C203 C204 N199 0.0 . . . . ?
C202 C201 C200 N199 0.0 . . . . ?
C201 C200 N199 C204 0.0 . . . . ?
C201 C200 N199 C205 179.3(11) . . . . ?
C200 N199 C204 C203 0.0 . . . . ?
C204 C203 C202 C201 0.0 . . . . ?
C221 C203 C202 C201 177.9(11) . . . . ?
C221 C203 C204 N199 -178.1(10) . . . . ?
C319 C318 C317 N316 0.0 . . . . ?
C318 C319 C320 C321 0.0 . . . . ?
C318 C319 C320 C341 -175.2(13) . . . . ?
C318 C317 N316 C321 0.0 . . . . ?
C318 C317 N316 C322 -175.8(10) . . . . ?
C317 N316 C321 C320 0.0 . . . . ?
N316 C321 C320 C319 0.0 . . . . ?
N316 C321 C320 C341 175.8(11) . . . . ?
C320 C319 C318 C340 -177.6(12) . . . . ?
C320 C319 C318 C317 0.0 . . . . ?
C397 N398 C399 C404 1.2(17) . . . . ?
C397 N398 C399 C400 176.2(18) . . . . ?
C397 C396 C408 C407 0.0 . . . . ?
C397 C396 C408 C409 -176.1(9) . . . . ?
C396 N395 C394 C409 1.9(12) . . . . ?
C396 N395 C394 C393 -173.7(8) . . . . ?
C396 C397 C405 C404 178.0(10) . . . . ?
C396 C397 C405 C406 0.0 . . . . ?
C396 C408 C407 C406 0.0 . . . . ?
C396 C408 C409 C410 172.4(8) . . . . ?
C396 C408 C409 C394 -5.2(7) . . . . ?
C408 C407 C406 C405 0.0 . . . . ?
C408 C409 C394 N395 2.0(9) . . . . ?
C408 C409 C394 C393 178.1(9) . . . . ?
C407 C408 C409 C410 -3.0(16) . . . . ?
C407 C408 C409 C394 179.5(7) . . . . ?
C407 C406 C405 C404 -177.4(14) . . . . ?
C407 C406 C405 C397 0.0 . . . . ?
C405 C404 C403 C402 179.3(17) . . . . ?
C405 C397 C396 N395 176.6(12) . . . . ?
C405 C397 C396 C408 0.0 . . . . ?
C485 C402 C403 C404 172.4(16) . . . . ?
C365 C307 C306 C305 -174.1(10) . . . . ?
C78 C77 C76 N75 0.0 . . . . ?
C77 C78 C79 C80 0.0 . . . . ?
C77 C78 C79 C97 174.1(11) . . . . ?
C77 C76 N75 C80 0.0 . . . . ?
C77 C76 N75 C81 -179.7(11) . . . . ?
C76 N75 C80 C79 0.0 . . . . ?
N75 C80 C79 C78 0.0 . . . . ?
N75 C80 C79 C97 -174.4(11) . . . . ?
C79 C78 C77 C76 0.0 . . . . ?
C79 C78 C77 C96 179.4(12) . . . . ?
C470 C413 C432 C431 -178.8(13) . . . . ?
C211 C210 C209 C208 0.0 . . . . ?
C210 C211 N206 C207 0.0 . . . . ?
C210 C211 N206 C212 -177.4(11) . . . . ?
C210 C209 C208 C207 0.0 . . . . ?
C209 C208 C207 N206 0.0 . . . . ?
C208 C207 N206 C211 0.0 . . . . ?
C208 C207 N206 C212 177.4(11) . . . . ?
N206 C211 C210 C224 178.5(11) . . . . ?
N206 C211 C210 C209 0.0 . . . . ?
C222 C165 C184 C183 -177.4(11) . . . . ?
C186 N185 C190 C189 0.0 . . . . ?
N185 C186 C187 C188 0.0 . . . . ?
N185 C186 C187 C213 -178.8(12) . . . . ?
N185 C190 C189 C188 0.0 . . . . ?
C190 C189 C188 C187 0.0 . . . . ?
C189 C188 C187 C186 0.0 . . . . ?
C189 C188 C187 C213 178.7(13) . . . . ?
C187 C186 N185 C190 0.0 . . . . ?
C187 C186 N185 C191 -179.6(12) . . . . ?
C293 N294 C295 C296 -179.4(10) . . . . ?
C293 N294 C295 C300 2.1(14) . . . . ?
C275 N274 C273 C272 -179.8(9) . . . . ?
C275 N274 C273 C281 3.1(12) . . . . ?
C275 C276 C343 C344 -43(8) . . . . ?
C275 C276 C277 C278 6(2) . . . . ?
C275 C280 C279 C278 1(3) . . . . ?
C94 C21 C40 C39 -174.6(12) . . . . ?
C412 C411 C410 C409 0.0 . . . . ?
C412 C411 C481 C482 -155.4(9) . . . . ?
C412 C411 C481 C484 -32.5(14) . . . . ?
C412 C411 C481 C483 85.5(12) . . . . ?
C411 C412 C393 C394 0.0 . . . . ?
C411 C412 C393 C466 -177.3(12) . . . . ?
C411 C410 C409 C408 -177.3(12) . . . . ?
C411 C410 C409 C394 0.0 . . . . ?
C410 C411 C481 C482 27.9(12) . . . . ?
C410 C411 C481 C484 150.8(9) . . . . ?
C410 C411 C481 C483 -91.2(11) . . . . ?
C410 C409 C394 N395 -176.0(10) . . . . ?
C410 C409 C394 C393 0.0 . . . . ?
C409 C408 C407 C406 174.9(12) . . . . ?
C409 C394 C393 C412 0.0 . . . . ?
C409 C394 C393 C466 177.1(13) . . . . ?
C394 N395 C396 C397 177.8(8) . . . . ?
C394 N395 C396 C408 -5.3(11) . . . . ?
C393 C412 C411 C410 0.0 . . . . ?
C393 C412 C411 C481 -176.6(11) . . . . ?
C465 C444 C443 C442 178.7(12) . . . . ?
C400 C399 C404 C405 -176.9(14) . . . . ?
C400 C399 C404 C403 2(3) . . . . ?
C400 C401 C402 C485 -172.4(14) . . . . ?
C400 C401 C402 C403 4(3) . . . . ?
C256 C257 C258 C353 -179.8(14) . . . . ?
C256 C257 C258 C259 0(3) . . . . ?
C445 C444 C443 C442 0.0 . . . . ?
C444 C445 N440 C441 0.0 . . . . ?
C444 C445 N440 C446 -176.8(12) . . . . ?
C444 C443 C442 C441 0.0 . . . . ?
C444 C443 C442 C464 -178.9(12) . . . . ?
C443 C442 C441 N440 0.0 . . . . ?
C442 C441 N440 C445 0.0 . . . . ?
C442 C441 N440 C446 176.9(11) . . . . ?
N440 C445 C444 C465 -178.8(12) . . . . ?
N440 C445 C444 C443 0.0 . . . . ?
C249 C268 C267 C266 0.0 . . . . ?
C249 C268 C267 C349 -178.5(10) . . . . ?
C268 C249 C250 N251 -177.3(11) . . . . ?
C268 C249 C250 C265 0.0 . . . . ?
C268 C267 C266 C265 0.0 . . . . ?
C268 C267 C349 C350 -61.0(14) . . . . ?
C268 C267 C349 C352 59.1(14) . . . . ?
C268 C267 C349 C351 -179.8(10) . . . . ?
C267 C266 C265 C264 177.7(11) . . . . ?
C267 C266 C265 C250 0.0 . . . . ?
C266 C267 C349 C350 120.5(11) . . . . ?
C266 C267 C349 C352 -119.4(12) . . . . ?
C266 C267 C349 C351 1.7(15) . . . . ?
C266 C265 C250 N251 177.7(10) . . . . ?
C266 C265 C250 C249 0.0 . . . . ?
C265 C264 C263 C262 178.9(11) . . . . ?
C250 N251 C252 C264 -2.8(11) . . . . ?
C250 N251 C252 C253 179.1(8) . . . . ?
C250 C249 C268 C267 0.0 . . . . ?
C401 C402 C403 C404 -4(3) . . . . ?
C215 C132 C131 N130 -6.8(15) . . . . ?
C215 C132 C131 C136 174.9(12) . . . . ?
C215 C132 C133 C134 -175.0(12) . . . . ?
C98 C41 C60 C59 -176.1(12) . . . . ?
C421 C420 C419 N418 174.0(14) . . . . ?
C421 C420 C419 C424 0.0 . . . . ?
C421 C422 C493 C495 -56.5(10) . . . . ?
C421 C422 C493 C494 62.6(11) . . . . ?
C421 C422 C493 C496 -175.2(7) . . . . ?
C420 C421 C422 C423 0.0 . . . . ?
C420 C421 C422 C493 -166.3(10) . . . . ?
C420 C419 C424 C425 179.9(12) . . . . ?
C420 C419 C424 C423 0.0 . . . . ?
C419 N418 C417 C416 -178.0(19) . . . . ?
C419 N418 C417 C425 -2(2) . . . . ?
C419 C424 C423 C422 0.0 . . . . ?
C424 C425 C426 C427 175.5(18) . . . . ?
C424 C423 C422 C421 0.0 . . . . ?
C424 C423 C422 C493 166.4(10) . . . . ?
C423 C422 C493 C495 137.1(7) . . . . ?
C423 C422 C493 C494 -103.9(9) . . . . ?
C423 C422 C493 C496 18.4(10) . . . . ?
C422 C421 C420 C471 -179.3(11) . . . . ?
C422 C421 C420 C419 0.0 . . . . ?
C435 C436 C437 C438 4(3) . . . . ?
C257 C256 C255 N254 172.5(16) . . . . ?
C257 C256 C255 C260 2(2) . . . . ?
C257 C258 C353 C355 -42(2) . . . . ?
C257 C258 C353 C356 -166.9(14) . . . . ?
C257 C258 C353 C354 74.2(18) . . . . ?
C257 C258 C259 C260 -5(3) . . . . ?
C464 C442 C441 N440 179.0(11) . . . . ?
C196 C195 C194 C193 0.0 . . . . ?
C196 C195 C194 C216 -179.4(13) . . . . ?
C195 C196 C197 N192 0.0 . . . . ?
C195 C194 C193 N192 0.0 . . . . ?
C194 C193 N192 C197 0.0 . . . . ?
C194 C193 N192 C198 178.0(11) . . . . ?
C193 N192 C197 C196 0.0 . . . . ?
C197 C196 C195 C194 0.0 . . . . ?
C296 C295 C300 C299 0.0 . . . . ?
C296 C295 C300 C301 -178.9(10) . . . . ?
C295 N294 C293 C292 177.0(19) . . . . ?
C295 N294 C293 C301 -3.2(19) . . . . ?
C295 C296 C297 C298 0.0 . . . . ?
C295 C300 C299 C298 0.0 . . . . ?
C295 C300 C301 C293 -1.8(15) . . . . ?
C295 C300 C301 C302 -175.9(15) . . . . ?
C300 C299 C298 C297 0.0 . . . . ?
C300 C299 C298 C369 179.8(10) . . . . ?
C299 C300 C301 C293 179.5(10) . . . . ?
C299 C300 C301 C302 5(2) . . . . ?
C299 C298 C297 C296 0.0 . . . . ?
C299 C298 C369 C372 65.3(14) . . . . ?
C299 C298 C369 C371 -177.2(10) . . . . ?
C299 C298 C369 C370 -54.0(16) . . . . ?
C297 C296 C295 N294 -178.4(13) . . . . ?
C297 C296 C295 C300 0.0 . . . . ?
C297 C298 C369 C372 -114.9(12) . . . . ?
C297 C298 C369 C371 2.6(16) . . . . ?
C297 C298 C369 C370 125.8(13) . . . . ?
N309 C314 C313 C312 0.0 . . . . ?
C314 N309 C310 C311 0.0 . . . . ?
C314 C313 C312 C311 0.0 . . . . ?
C313 C312 C311 C337 -176.5(12) . . . . ?
C313 C312 C311 C310 0.0 . . . . ?
C312 C311 C310 N309 0.0 . . . . ?
C310 N309 C314 C313 0.0 . . . . ?
C255 N254 C253 C252 178.8(9) . . . . ?
C255 N254 C253 C261 1.5(13) . . . . ?
C255 C260 C261 C262 -179.1(10) . . . . ?
C255 C260 C261 C253 -3.9(15) . . . . ?
C255 C260 C259 C258 9(3) . . . . ?
C255 C256 C257 C258 2(2) . . . . ?
C452 N447 C448 C449 1(2) . . . . ?
C452 C451 C450 C449 -1(3) . . . . ?
C22 N23 C24 C25 -179.2(8) . . . . ?
C22 N23 C24 C36 -3.3(12) . . . . ?
C22 C21 C40 C39 0.0 . . . . ?
C22 C37 C36 C24 2.7(7) . . . . ?
C22 C37 C36 C35 179.0(7) . . . . ?
C21 C22 C37 C38 0.0 . . . . ?
C21 C22 C37 C36 -174.8(8) . . . . ?
C21 C40 C39 C38 0.0 . . . . ?
C21 C40 C39 C109 173.1(14) . . . . ?
C40 C39 C38 C37 0.0 . . . . ?
C40 C39 C109 C111 144.1(14) . . . . ?
C40 C39 C109 C110 -95.7(16) . . . . ?
C40 C39 C109 C112 21(2) . . . . ?
C39 C38 C37 C22 0.0 . . . . ?
C39 C38 C37 C36 173.2(11) . . . . ?
C38 C39 C109 C111 -43(2) . . . . ?
C38 C39 C109 C110 77.4(19) . . . . ?
C38 C39 C109 C112 -166.3(14) . . . . ?
C38 C37 C36 C24 -171.2(8) . . . . ?
C38 C37 C36 C35 5.1(15) . . . . ?
C37 C22 C21 C94 174.8(11) . . . . ?
C37 C22 C21 C40 0.0 . . . . ?
C37 C36 C35 C34 -175.9(11) . . . . ?
C486 C485 C402 C401 120.9(16) . . . . ?
C486 C485 C402 C403 -55(2) . . . . ?
C237 C154 C153 C152 -174.4(11) . . . . ?
C379 N378 C377 C376 -178.8(8) . . . . ?
C379 N378 C377 C385 -2.0(11) . . . . ?
C379 C384 C383 C382 0.0 . . . . ?
C384 C379 C380 C381 0.0 . . . . ?
C384 C379 C380 C463 176.5(12) . . . . ?
C384 C383 C382 C381 0.0 . . . . ?
C384 C383 C382 C477 177.5(11) . . . . ?
C383 C382 C381 C380 0.0 . . . . ?
C383 C382 C477 C479 -129.7(14) . . . . ?
C383 C382 C477 C478 -9.2(17) . . . . ?
C383 C382 C477 C480 106.7(14) . . . . ?
C382 C381 C380 C379 0.0 . . . . ?
C382 C381 C380 C463 -176.4(12) . . . . ?
C381 C382 C477 C479 47.9(17) . . . . ?
C381 C382 C477 C478 168.3(11) . . . . ?
C381 C382 C477 C480 -75.7(15) . . . . ?
C380 C379 C384 C385 -179.8(8) . . . . ?
C380 C379 C384 C383 0.0 . . . . ?
C49 C48 C47 N46 -179.8(12) . . . . ?
C49 C48 C47 C52 0.0 . . . . ?
C49 C50 C121 C123 12.2(17) . . . . ?
C49 C50 C121 C124 -106.4(13) . . . . ?
C49 C50 C121 C122 129.6(12) . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C48 C49 C50 C121 178.6(11) . . . . ?
C48 C47 C52 C53 -177.2(8) . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C47 N46 C45 C53 -2.2(11) . . . . ?
C47 N46 C45 C44 -179.4(8) . . . . ?
C47 C52 C51 C50 0.0 . . . . ?
C52 C53 C45 N46 3.8(9) . . . . ?
C52 C53 C45 C44 -178.6(8) . . . . ?
C52 C53 C54 C55 178.2(11) . . . . ?
C52 C51 C50 C49 0.0 . . . . ?
C52 C51 C50 C121 -178.7(11) . . . . ?
C51 C50 C121 C123 -169.1(10) . . . . ?
C51 C50 C121 C124 72.3(14) . . . . ?
C51 C50 C121 C122 -51.8(16) . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C50 C49 C48 C99 -172.3(10) . . . . ?
C338 C249 C268 C267 -179.7(12) . . . . ?
C338 C249 C250 N251 2.4(14) . . . . ?
C338 C249 C250 C265 179.6(13) . . . . ?
C472 C458 C457 C456 -178.8(16) . . . . ?
C436 C435 C434 N433 -7(3) . . . . ?
C436 C437 C438 N433 -6(3) . . . . ?
C332 C331 N330 C335 0.0 . . . . ?
C332 C331 N330 C336 -174.8(11) . . . . ?
C331 C332 C333 C334 0.0 . . . . ?
C331 N330 C335 C334 0.0 . . . . ?
N330 C335 C334 C333 0.0 . . . . ?
N330 C335 C334 C348 -178.3(11) . . . . ?
C335 C334 C333 C332 0.0 . . . . ?
C333 C332 C331 N330 0.0 . . . . ?
C25 C24 C36 C37 176.8(8) . . . . ?
C25 C24 C36 C35 0.0 . . . . ?
C25 C33 C32 C27 -5.1(7) . . . . ?
C25 C33 C32 C31 -180.0(7) . . . . ?
C25 N26 C27 C32 -4.8(12) . . . . ?
C25 N26 C27 C28 177.1(9) . . . . ?
C24 N23 C22 C21 173.8(8) . . . . ?
C24 N23 C22 C37 5.1(12) . . . . ?
C24 C25 C33 C34 0.0 . . . . ?
C24 C25 C33 C32 -172.8(9) . . . . ?
C24 C25 N26 C27 175.9(8) . . . . ?
C24 C36 C35 C34 0.0 . . . . ?
C36 C35 C34 C33 0.0 . . . . ?
C35 C34 C33 C25 0.0 . . . . ?
C35 C34 C33 C32 170.1(12) . . . . ?
C34 C33 C32 C27 -176.3(8) . . . . ?
C34 C33 C32 C31 8.9(16) . . . . ?
C33 C25 C24 N23 175.5(13) . . . . ?
C33 C25 C24 C36 0.0 . . . . ?
C33 C25 N26 C27 1.7(13) . . . . ?
C33 C32 C31 C30 174.4(12) . . . . ?
C96 C77 C76 N75 -179.4(12) . . . . ?
C292 C304 C303 C302 11(3) . . . . ?
C292 C293 C301 C300 -177.1(14) . . . . ?
C292 C293 C301 C302 -2(3) . . . . ?
C99 C48 C47 N46 -8.1(14) . . . . ?
C99 C48 C47 C52 171.8(11) . . . . ?
C427 C428 C429 C430 -7(3) . . . . ?
C427 C428 C429 C414 174(2) . . . . ?
C219 C152 C151 N150 -3.1(14) . . . . ?
C219 C152 C151 C156 174.2(11) . . . . ?
C219 C152 C153 C154 -174.1(12) . . . . ?
C220 C201 C200 N199 178.9(10) . . . . ?
C101 C19 C18 C17 -178.6(9) . . . . ?
C303 C304 C292 C293 -6(3) . . . . ?
C303 C304 C292 N291 179.6(15) . . . . ?
C303 C302 C301 C293 6(3) . . . . ?
C303 C302 C301 C300 179.6(15) . . . . ?
C100 C86 C85 C84 178.1(12) . . . . ?
C403 C404 C405 C397 -178.6(19) . . . . ?
C403 C404 C405 C406 -1(3) . . . . ?
C469 C451 C450 C449 176.9(17) . . . . ?
C453 N447 C452 C451 174.2(15) . . . . ?
C453 N447 C448 C449 -172.9(13) . . . . ?
C361 C278 C277 C276 172.5(14) . . . . ?
C455 N454 C459 C458 -7(3) . . . . ?
C455 C456 C457 C458 3(3) . . . . ?
C301 C293 C292 C304 2(3) . . . . ?
C301 C293 C292 N291 175.4(15) . . . . ?
C301 C300 C299 C298 178.5(13) . . . . ?
N26 C25 C24 N23 1.8(14) . . . . ?
N26 C25 C24 C36 -173.7(13) . . . . ?
N26 C25 C33 C34 174.9(11) . . . . ?
N26 C25 C33 C32 2.2(9) . . . . ?
N26 C27 C32 C33 6.1(10) . . . . ?
N26 C27 C32 C31 -178.4(10) . . . . ?
N26 C27 C28 C95 -0.7(14) . . . . ?
N26 C27 C28 C29 177.8(13) . . . . ?
C460 N454 C455 C456 178.9(15) . . . . ?
C460 N454 C459 C458 179.9(17) . . . . ?
C74 N68 C73 C72 -179.8(10) . . . . ?
C459 N454 C455 C456 6(3) . . . . ?
C459 C458 C457 C456 -4(3) . . . . ?
C448 N447 C452 C451 1(3) . . . . ?
C448 C449 C450 C451 3(3) . . . . ?
C288 C287 C357 C359 138.0(16) . . . . ?
C288 C287 C357 C360 18(2) . . . . ?
C288 C287 C357 C358 -101.3(18) . . . . ?
C216 C194 C193 N192 179.4(12) . . . . ?
C7 N6 C5 C13 2.2(11) . . . . ?
C7 N6 C5 C4 179.3(8) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C12 C13 C5 N6 -1.9(9) . . . . ?
C12 C13 C5 C4 -179.4(9) . . . . ?
C12 C13 C14 C15 179.2(11) . . . . ?
C12 C7 C8 C91 177.8(12) . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C12 C11 C10 C105 -174.8(10) . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C11 C10 C105 C107 -156.1(9) . . . . ?
C11 C10 C105 C106 -38.6(13) . . . . ?
C11 C10 C105 C108 85.6(12) . . . . ?
C10 C9 C8 C91 -177.9(11) . . . . ?
C10 C9 C8 C7 0.0 . . . . ?
C9 C10 C105 C107 29.3(14) . . . . ?
C9 C10 C105 C106 146.7(10) . . . . ?
C9 C10 C105 C108 -89.0(12) . . . . ?
C8 C7 C12 C13 178.1(9) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C105 C10 C9 C8 174.6(10) . . . . ?
C229 C134 C133 C132 -175.3(11) . . . . ?
C66 C65 C64 C63 0.0 . . . . ?
C65 C66 N61 C67 -178.4(10) . . . . ?
C65 C66 N61 C62 0.0 . . . . ?
C65 C64 C63 C62 0.0 . . . . ?
C65 C64 C63 C89 172.0(11) . . . . ?
C64 C63 C62 N61 0.0 . . . . ?
C64 C63 C89 C90 79(10) . . . . ?
C63 C62 N61 C67 178.4(10) . . . . ?
C63 C62 N61 C66 0.0 . . . . ?
C62 C63 C89 C90 -109(10) . . . . ?
N61 C66 C65 C64 0.0 . . . . ?
C450 C449 C448 N447 -3(2) . . . . ?
C428 C429 C414 N415 2.5(12) . . . . ?
C428 C429 C414 C413 178.6(13) . . . . ?
C434 N433 C438 C437 2(3) . . . . ?
C434 C435 C436 C437 3(3) . . . . ?
C286 C285 C270 N271 173.3(14) . . . . ?
C286 C285 C270 C269 -1(3) . . . . ?
C286 C287 C357 C359 -54.3(19) . . . . ?
C286 C287 C357 C360 -174.3(14) . . . . ?
C286 C287 C357 C358 66.4(18) . . . . ?
C345 C327 C326 C325 173.1(16) . . . . ?
C138 C137 C129 N130 179.3(11) . . . . ?
C138 C137 C129 C128 0.0 . . . . ?
C138 C137 C136 C131 -178.8(8) . . . . ?
C138 C137 C136 C135 -0.6(16) . . . . ?
C137 C138 C139 C140 0.0 . . . . ?
C137 C129 C128 N127 177.1(12) . . . . ?
C137 C129 C128 C140 0.0 . . . . ?
C137 C136 C135 C134 -178.0(11) . . . . ?
C129 N130 C131 C132 -178.1(8) . . . . ?
C129 N130 C131 C136 0.4(13) . . . . ?
C129 C137 C136 C131 -0.1(7) . . . . ?
C129 C137 C136 C135 178.1(7) . . . . ?
C129 C128 C140 C139 0.0 . . . . ?
C129 C128 C140 C141 179.0(9) . . . . ?
C128 N127 C126 C141 2.2(12) . . . . ?
C128 N127 C126 C125 -179.6(8) . . . . ?
C128 C140 C139 C138 0.0 . . . . ?
C128 C140 C141 C142 -179.8(7) . . . . ?
C128 C140 C141 C126 0.0(8) . . . . ?
C140 C141 C126 N127 -1.3(10) . . . . ?
C140 C141 C126 C125 -179.8(9) . . . . ?
C139 C138 C137 C129 0.0 . . . . ?
C139 C138 C137 C136 178.6(12) . . . . ?
C139 C140 C141 C142 -1.0(16) . . . . ?
C139 C140 C141 C126 178.7(8) . . . . ?
C245 C174 C173 C172 -173.1(12) . . . . ?
C152 C151 C156 C157 179.5(9) . . . . ?
C152 C151 C156 C155 0.0 . . . . ?
C151 N150 C149 C148 179.0(8) . . . . ?
C151 N150 C149 C157 -1.1(12) . . . . ?
C151 C152 C153 C154 0.0 . . . . ?
C151 C156 C155 C154 0.0 . . . . ?
C156 C157 C149 N150 -0.5(9) . . . . ?
C156 C157 C149 C148 179.4(8) . . . . ?
C156 C155 C154 C237 174.7(10) . . . . ?
C156 C155 C154 C153 0.0 . . . . ?
C155 C154 C153 C152 0.0 . . . . ?
C153 C152 C151 N150 -177.3(12) . . . . ?
C153 C152 C151 C156 0.0 . . . . ?
C487 C485 C402 C401 -5(2) . . . . ?
C487 C485 C402 C403 178.7(18) . . . . ?
C438 N433 C434 C435 5(3) . . . . ?
C166 N167 C168 C180 3.3(12) . . . . ?
C166 N167 C168 C169 -171.4(8) . . . . ?
C166 C165 C184 C183 0.0 . . . . ?
C165 C166 C181 C180 179.3(9) . . . . ?
C165 C166 C181 C182 0.0 . . . . ?
C165 C184 C183 C182 0.0 . . . . ?
C165 C184 C183 C241 177.6(9) . . . . ?
C184 C183 C182 C181 0.0 . . . . ?
C184 C183 C241 C243 172.6(6) . . . . ?
C184 C183 C241 C244 51.6(9) . . . . ?
C184 C183 C241 C242 -67.6(9) . . . . ?
C183 C182 C181 C180 -179.1(12) . . . . ?
C183 C182 C181 C166 0.0 . . . . ?
C182 C183 C241 C243 -9.8(10) . . . . ?
C182 C183 C241 C244 -130.9(8) . . . . ?
C182 C183 C241 C242 110.0(8) . . . . ?
C181 C180 C179 C178 -167.4(13) . . . . ?
C181 C166 C165 C222 177.3(12) . . . . ?
C181 C166 C165 C184 0.0 . . . . ?
C191 N185 C190 C189 179.6(12) . . . . ?
C348 C334 C333 C332 178.1(12) . . . . ?
C89 C63 C62 N61 -172.0(11) . . . . ?
C109 C39 C38 C37 -173.2(14) . . . . ?
C346 C289 C308 C307 -179.2(12) . . . . ?
C346 C289 C290 C305 179.2(12) . . . . ?
C346 C289 C290 N291 1.9(14) . . . . ?
C205 N199 C204 C203 -179.3(11) . . . . ?
C353 C258 C259 C260 174.5(14) . . . . ?
C457 C456 C455 N454 -3(3) . . . . ?
C336 N330 C335 C334 174.8(11) . . . . ?
C363 C361 C278 C279 -169.0(16) . . . . ?
C363 C361 C278 C277 9(2) . . . . ?
C369 C298 C297 C296 -179.8(11) . . . . ?
C329 N323 C328 C327 172.0(18) . . . . ?
C329 N323 C324 C325 -174.5(16) . . . . ?
C322 N316 C321 C320 175.6(11) . . . . ?
C439 N433 C434 C435 179.1(15) . . . . ?
C439 N433 C438 C437 -172.4(16) . . . . ?
C198 N192 C197 C196 -178.0(12) . . . . ?
C364 C361 C278 C279 67(2) . . . . ?
C364 C361 C278 C277 -114.3(17) . . . . ?
C143 C142 C141 C140 179.7(12) . . . . ?
C143 C142 C141 C126 0.0 . . . . ?
C142 C143 C144 C125 0.0 . . . . ?
C142 C143 C225 C226 64.2(11) . . . . ?
C142 C143 C225 C227 -56.1(12) . . . . ?
C142 C143 C225 C228 -176.7(8) . . . . ?
C142 C141 C126 N127 178.4(11) . . . . ?
C142 C141 C126 C125 0.0 . . . . ?
C141 C140 C139 C138 -178.6(12) . . . . ?
C141 C126 C125 C144 0.0 . . . . ?
C141 C126 C125 C214 176.7(13) . . . . ?
C126 N127 C128 C129 -179.5(8) . . . . ?
C126 N127 C128 C140 -2.2(12) . . . . ?
C126 C125 C144 C143 0.0 . . . . ?
C144 C143 C142 C141 0.0 . . . . ?
C144 C143 C225 C226 -113.8(10) . . . . ?
C144 C143 C225 C227 125.8(9) . . . . ?
C144 C143 C225 C228 5.2(11) . . . . ?
C231 C229 C134 C135 120.1(11) . . . . ?
C231 C229 C134 C133 -64.7(14) . . . . ?
C238 C237 C154 C155 -57.6(15) . . . . ?
C238 C237 C154 C153 116.9(13) . . . . ?
C349 C267 C266 C265 178.5(10) . . . . ?
C259 C260 C261 C262 6(2) . . . . ?
C259 C260 C261 C253 -178.4(15) . . . . ?
C259 C260 C255 N254 179.8(14) . . . . ?
C259 C260 C255 C256 -7(3) . . . . ?
C259 C258 C353 C355 138.4(18) . . . . ?
C259 C258 C353 C356 14(2) . . . . ?
C259 C258 C353 C354 -105.2(19) . . . . ?
C233 C163 C162 C161 -175.9(11) . . . . ?
C277 C276 C343 C344 141(7) . . . . ?
C277 C276 C275 N274 -179.8(14) . . . . ?
C277 C276 C275 C280 0(3) . . . . ?
C488 C485 C402 C401 -122.0(16) . . . . ?
C488 C485 C402 C403 62(2) . . . . ?
C230 C229 C134 C135 -127.5(13) . . . . ?
C230 C229 C134 C133 47.7(17) . . . . ?
C502 C501 C500 C499 0.0 . . . . ?
C501 C502 C497 C498 0.0 . . . . ?
C501 C500 C499 C498 0.0 . . . . ?
C500 C499 C498 C497 0.0 . . . . ?
C499 C498 C497 C502 0.0 . . . . ?
C497 C502 C501 C500 0.0 . . . . ?
C239 C237 C154 C155 -178.9(10) . . . . ?
C239 C237 C154 C153 -4.4(16) . . . . ?
C232 C229 C134 C135 6.7(17) . . . . ?
C232 C229 C134 C133 -178.1(11) . . . . ?
C240 C237 C154 C155 64.0(14) . . . . ?
C240 C237 C154 C153 -121.5(11) . . . . ?
C88 N82 C87 C86 175.5(12) . . . . ?
C88 N82 C83 C84 -175.7(12) . . . . ?
C477 C382 C381 C380 -177.6(11) . . . . ?
C214 C125 C144 C143 -176.8(12) . . . . ?
C117 C59 C58 C57 179.7(10) . . . . ?
C81 N75 C80 C79 179.6(13) . . . . ?
C27 C32 C31 C30 0.0 . . . . ?
C32 C27 C28 C95 -178.6(11) . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C32 C31 C30 C29 0.0 . . . . ?
C32 C31 C30 C113 -160.3(11) . . . . ?
C31 C30 C29 C28 0.0 . . . . ?
C31 C30 C113 C114 -56.4(11) . . . . ?
C31 C30 C113 C115 -173.5(9) . . . . ?
C31 C30 C113 C116 59.4(12) . . . . ?
C30 C29 C28 C95 178.4(13) . . . . ?
C30 C29 C28 C27 0.0 . . . . ?
C29 C30 C113 C114 142.3(9) . . . . ?
C29 C30 C113 C115 25.2(13) . . . . ?
C29 C30 C113 C116 -101.9(10) . . . . ?
C28 C27 C32 C33 -175.5(9) . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C225 C143 C142 C141 -178.1(11) . . . . ?
C225 C143 C144 C125 178.1(11) . . . . ?
C132 C131 C136 C137 178.5(9) . . . . ?
C132 C131 C136 C135 0.0 . . . . ?
C131 N130 C129 C137 -0.5(13) . . . . ?
C131 N130 C129 C128 178.7(8) . . . . ?
C131 C132 C133 C134 0.0 . . . . ?
C131 C136 C135 C134 0.0 . . . . ?
C136 C137 C129 N130 0.3(10) . . . . ?
C136 C137 C129 C128 -179.0(9) . . . . ?
C136 C135 C134 C229 175.2(11) . . . . ?
C136 C135 C134 C133 0.0 . . . . ?
C135 C134 C133 C132 0.0 . . . . ?
C133 C132 C131 N130 178.4(12) . . . . ?
C133 C132 C131 C136 0.0 . . . . ?
C431 C430 C429 C428 -178.4(15) . . . . ?
C431 C430 C429 C414 0.0 . . . . ?
C430 C431 C432 C413 0.0 . . . . ?
C430 C431 C489 C490 127.6(10) . . . . ?
C430 C431 C489 C491 7.5(12) . . . . ?
C430 C431 C489 C492 -112.1(10) . . . . ?
C430 C429 C414 N415 -176.2(10) . . . . ?
C430 C429 C414 C413 0.0 . . . . ?
C429 C414 C413 C470 178.9(12) . . . . ?
C429 C414 C413 C432 0.0 . . . . ?
C414 N415 C416 C417 -175.5(19) . . . . ?
C414 N415 C416 C428 0(2) . . . . ?
C414 C413 C432 C431 0.0 . . . . ?
C432 C431 C430 C429 0.0 . . . . ?
C432 C431 C489 C490 -55.9(11) . . . . ?
C432 C431 C489 C491 -176.0(8) . . . . ?
C432 C431 C489 C492 64.4(11) . . . . ?
C241 C183 C182 C181 -177.5(10) . . . . ?
C489 C431 C430 C429 176.4(11) . . . . ?
C489 C431 C432 C413 -176.7(10) . . . . ?
C481 C411 C410 C409 176.8(10) . . . . ?
C362 C361 C278 C279 -46(2) . . . . ?
C362 C361 C278 C277 132.0(16) . . . . ?
C113 C30 C29 C28 162.0(10) . . . . ?
C473 C391 C390 C389 178.4(10) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.132 0.132 0.000 2521.8 489.2 ?
2 0.000 0.000 0.500 2071.5 554.1 ?
3 0.197 0.411 0.360 12.9 0.0 ?
4 0.224 0.428 0.484 7.1 0.0 ?
5 0.378 0.301 0.802 11.3 0.0 ?
6 0.441 0.381 0.208 16.0 6.3 ?
7 0.451 0.510 0.588 26.5 5.5 ?
8 0.549 0.490 0.412 26.5 5.4 ?
9 0.559 0.619 0.792 16.0 0.0 ?
10 0.622 0.699 0.198 11.3 0.0 ?
11 0.776 0.572 0.516 7.1 0.0 ?
12 0.803 0.589 0.640 12.9 0.0 ?
