#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/57/4115785.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_4115785
loop_
_publ_author_name
'Shigehiro Yamaguchi'
'Seiji Akiyama'
'Kohei Tamao'
_publ_contact_author_address
;
 Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan
;
_publ_contact_author_email       ' shige@scl.kyoto-u.ac.jp '
_publ_contact_author_fax         +81-774-38-3186
_publ_contact_author_name        'Shigehiro Yamaguchi'
_publ_contact_author_phone       ' +81-774-38-3180'
_publ_section_title
;
 Colorimetric Fluoride Ion Sensing by Boron-Containing π-Electron Systems
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11372
_journal_page_last               11375
_journal_paper_doi               10.1021/ja015957w
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C63 H69 B F K N2 O7'
_chemical_formula_weight         1035.15
_space_group_IT_number           3
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_audit_creation_date             'Sun Aug 17 03:17:01 2001'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 102.134(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.8599(9)
_cell_length_b                   12.1728(5)
_cell_length_c                   22.338(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     5545.4(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.039
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11681
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.154
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2200.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.26
_refine_diff_density_min         -0.47
_refine_ls_extinction_coef       0.041(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    5
_refine_ls_number_parameters     1326
_refine_ls_number_reflns         9251
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.0015
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00360|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                9251
_reflns_number_total             11681
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja015957w_s1.cif
_cod_data_source_block           a3bf_ac
_cod_original_cell_volume        5545.5(4)
_cod_original_sg_symbol_H-M      'P 2 '
_cod_original_formula_sum        'C63 H69 B F K N2 O7 '
_cod_database_code               4115785
loop_
_symmetry_equiv_pos_as_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_calc_flag
_atom_site_refinement_flags
K(1) K 1.0000 0.3524 0.0000 0.0204(3) Uani 1.00 d S
K(2) K 0.5000 -0.1484(2) 0.0000 0.0210(3) Uani 1.00 d S
K(3) K 0.5000 0.2501(2) 0.5000 0.0287(3) Uani 1.00 d S
K(4) K 1.0000 0.0206(2) 0.5000 0.0315(3) Uani 1.00 d S
F(1) F 0.7349(1) 0.3556(3) 0.3105(1) 0.0254(6) Uani 1.00 d .
F(2) F 0.7656(1) -0.1418(3) 0.6793(1) 0.0279(6) Uani 1.00 d .
O(1) O 1.1050(2) 0.2246(3) 0.0633(1) 0.0303(8) Uani 1.00 d .
O(2) O 1.0967(2) 0.2778(3) -0.0581(1) 0.0306(8) Uani 1.00 d .
O(3) O 1.0313(2) 0.5528(3) 0.0610(2) 0.0314(8) Uani 1.00 d .
O(4) O 0.6057(2) -0.2733(3) 0.0599(2) 0.0310(8) Uani 1.00 d .
O(5) O 0.5975(2) -0.2197(3) -0.0621(2) 0.0294(8) Uani 1.00 d .
O(6) O 0.5304(2) 0.0517(3) 0.0610(1) 0.0288(8) Uani 1.00 d .
O(7) O 0.5644(2) 0.3277(3) 0.4113(2) 0.0371(9) Uani 1.00 d .
O(8) O 0.4298(2) 0.3743(3) 0.4002(2) 0.0355(9) Uani 1.00 d .
O(9) O 0.5681(2) 0.0509(3) 0.5272(2) 0.0377(9) Uani 1.00 d .
O(10) O 0.9487(2) -0.1085(3) 0.3985(2) 0.0377(10) Uani 1.00 d .
O(11) O 1.0863(2) -0.0737(4) 0.4341(2) 0.044(1) Uani 1.00 d .
O(12) O 0.9347(2) 0.2199(4) 0.4683(2) 0.048(1) Uani 1.00 d .
O(13) O 0.8847(9) 0.560(1) 0.5018(8) 0.201(6) Uiso 1.00 d .
O(14) O 0.6049(8) 0.695(1) 0.4697(7) 0.089(5) Uiso 0.51 d P
O(15) O 0.6350(8) 0.755(1) 0.4683(7) 0.096(5) Uiso 0.49 d P
N(1) N 1.0279(2) 0.3528(4) 0.1323(2) 0.0274(9) Uani 1.00 d .
N(2) N 0.5296(2) -0.1480(4) 0.1324(2) 0.0283(9) Uani 1.00 d .
N(3) N 0.6452(2) 0.2502(4) 0.5254(2) 0.033(1) Uani 1.00 d .
N(4) N 0.8542(2) 0.0222(4) 0.4482(2) 0.040(1) Uani 1.00 d .
C(1) C 0.8647(2) 0.3574(5) 0.2992(2) 0.030(1) Uani 1.00 d .
C(2) C 0.9275(3) 0.3600(6) 0.3298(2) 0.043(1) Uani 1.00 d .
C(3) C 0.9717(3) 0.2722(7) 0.3266(3) 0.055(2) Uani 1.00 d .
C(4) C 0.9506(3) 0.1855(6) 0.2915(3) 0.046(2) Uani 1.00 d .
C(5) C 0.7885(3) 0.0092(5) 0.1321(3) 0.046(2) Uani 1.00 d .
C(6) C 0.7331(4) 0.0158(5) 0.0881(3) 0.051(2) Uani 1.00 d .
C(7) C 0.6893(3) 0.1044(5) 0.0890(3) 0.044(2) Uani 1.00 d .
C(8) C 0.7016(2) 0.1803(4) 0.1346(2) 0.032(1) Uani 1.00 d .
C(9) C 0.7739(2) 0.2645(4) 0.2258(2) 0.0234(10) Uani 1.00 d .
C(10) C 0.8651(3) 0.0908(5) 0.2187(3) 0.038(1) Uani 1.00 d .
C(11) C 0.8393(2) 0.2663(4) 0.2606(2) 0.028(1) Uani 1.00 d .
C(12) C 0.8845(2) 0.1783(5) 0.2568(2) 0.034(1) Uani 1.00 d .
C(13) C 0.8044(3) 0.0917(4) 0.1784(2) 0.034(1) Uani 1.00 d .
C(14) C 0.7587(2) 0.1789(4) 0.1807(2) 0.028(1) Uani 1.00 d .
C(15) C 0.6674(2) 0.5524(4) 0.2997(2) 0.031(1) Uani 1.00 d .
C(16) C 0.6473(3) 0.6348(5) 0.3324(2) 0.037(1) Uani 1.00 d .
C(17) C 0.6716(3) 0.7431(5) 0.3300(3) 0.045(1) Uani 1.00 d .
C(18) C 0.7147(3) 0.7639(4) 0.2938(3) 0.044(1) Uani 1.00 d .
C(19) C 0.8230(3) 0.6586(5) 0.1289(3) 0.047(2) Uani 1.00 d .
C(20) C 0.8292(3) 0.5883(7) 0.0845(3) 0.053(2) Uani 1.00 d .
C(21) C 0.8052(3) 0.4789(6) 0.0852(3) 0.048(2) Uani 1.00 d .
C(22) C 0.7758(3) 0.4448(5) 0.1312(2) 0.036(1) Uani 1.00 d .
C(23) C 0.7319(2) 0.4843(4) 0.2249(2) 0.0241(10) Uani 1.00 d .
C(24) C 0.7764(3) 0.7063(4) 0.2171(3) 0.038(1) Uani 1.00 d .
C(25) C 0.7126(2) 0.5705(4) 0.2601(2) 0.026(1) Uani 1.00 d .
C(26) C 0.7362(3) 0.6817(4) 0.2572(2) 0.033(1) Uani 1.00 d .
C(27) C 0.7900(2) 0.6282(5) 0.1762(2) 0.034(1) Uani 1.00 d .
C(28) C 0.7666(2) 0.5181(4) 0.1792(2) 0.028(1) Uani 1.00 d .
C(29) C 0.6706(2) 0.1554(4) 0.3010(2) 0.026(1) Uani 1.00 d .
C(30) C 0.6520(3) 0.0672(4) 0.3325(2) 0.032(1) Uani 1.00 d .
C(31) C 0.5852(3) 0.0450(4) 0.3304(2) 0.037(1) Uani 1.00 d .
C(32) C 0.5384(3) 0.1072(5) 0.2949(2) 0.036(1) Uani 1.00 d .
C(33) C 0.4731(3) 0.3784(4) 0.1343(3) 0.036(1) Uani 1.00 d .
C(34) C 0.4876(3) 0.4451(5) 0.0901(3) 0.040(1) Uani 1.00 d .
C(35) C 0.5541(3) 0.4714(4) 0.0924(2) 0.038(1) Uani 1.00 d .
C(36) C 0.6028(2) 0.4313(4) 0.1366(2) 0.029(1) Uani 1.00 d .
C(37) C 0.6417(2) 0.3103(3) 0.2273(2) 0.0197(9) Uani 1.00 d .
C(38) C 0.5065(2) 0.2537(4) 0.2198(2) 0.030(1) Uani 1.00 d .
C(39) C 0.6230(2) 0.2229(4) 0.2623(2) 0.0231(10) Uani 1.00 d .
C(40) C 0.5551(2) 0.1954(4) 0.2597(2) 0.027(1) Uani 1.00 d .
C(41) C 0.5223(2) 0.3309(4) 0.1805(2) 0.026(1) Uani 1.00 d .
C(42) C 0.5908(2) 0.3586(4) 0.1832(2) 0.0232(9) Uani 1.00 d .
C(43) C 0.8276(3) -0.3432(4) 0.6897(2) 0.035(1) Uani 1.00 d .
C(44) C 0.8454(4) -0.4271(5) 0.6561(3) 0.047(2) Uani 1.00 d .
C(45) C 0.9128(4) -0.4539(5) 0.6609(3) 0.049(2) Uani 1.00 d .
C(46) C 0.9591(3) -0.3985(5) 0.7002(3) 0.047(2) Uani 1.00 d .
C(47) C 1.0241(3) -0.1254(5) 0.8617(3) 0.051(2) Uani 1.00 d .
C(48) C 1.0087(3) -0.0562(5) 0.9046(3) 0.051(2) Uani 1.00 d .
C(49) C 0.9428(3) -0.0297(5) 0.9013(3) 0.049(2) Uani 1.00 d .
C(50) C 0.8944(3) -0.0702(4) 0.8562(2) 0.035(1) Uani 1.00 d .
C(51) C 0.8561(2) -0.1908(4) 0.7652(2) 0.0236(10) Uani 1.00 d .
C(52) C 0.9905(2) -0.2535(5) 0.7766(3) 0.037(1) Uani 1.00 d .
C(53) C 0.8750(2) -0.2791(4) 0.7310(2) 0.028(1) Uani 1.00 d .
C(54) C 0.9425(3) -0.3094(4) 0.7364(2) 0.035(1) Uani 1.00 d .
C(55) C 0.9749(2) -0.1740(4) 0.8155(3) 0.034(1) Uani 1.00 d .
C(56) C 0.9070(2) -0.1433(4) 0.8105(2) 0.029(1) Uani 1.00 d .
C(57) C 0.6355(2) -0.1264(4) 0.6890(2) 0.030(1) Uani 1.00 d .
C(58) C 0.5725(3) -0.1188(4) 0.6562(2) 0.037(1) Uani 1.00 d .
C(59) C 0.5271(3) -0.2046(5) 0.6565(3) 0.043(1) Uani 1.00 d .
C(60) C 0.5453(3) -0.2948(5) 0.6920(3) 0.038(1) Uani 1.00 d .
C(61) C 0.7008(3) -0.4844(4) 0.8518(3) 0.040(1) Uani 1.00 d .
C(62) C 0.7564(3) -0.4852(5) 0.8947(3) 0.045(2) Uani 1.00 d .
C(63) C 0.8025(3) -0.3987(5) 0.8965(3) 0.044(1) Uani 1.00 d .
C(64) C 0.7925(2) -0.3189(4) 0.8536(2) 0.032(1) Uani 1.00 d .
C(65) C 0.7224(2) -0.2270(4) 0.7630(2) 0.0230(10) Uani 1.00 d .
C(66) C 0.6263(2) -0.3948(4) 0.7670(2) 0.032(1) Uani 1.00 d .
C(67) C 0.6579(2) -0.2205(4) 0.7269(2) 0.026(1) Uani 1.00 d .
C(68) C 0.6099(2) -0.3048(4) 0.7285(2) 0.029(1) Uani 1.00 d .
C(69) C 0.6868(3) -0.3989(4) 0.8068(2) 0.029(1) Uani 1.00 d .
C(70) C 0.7347(2) -0.3135(4) 0.8063(2) 0.026(1) Uani 1.00 d .
C(71) C 0.8391(2) 0.0483(4) 0.6900(2) 0.029(1) Uani 1.00 d .
C(72) C 0.8636(2) 0.1279(5) 0.6574(2) 0.032(1) Uani 1.00 d .
C(73) C 0.8434(3) 0.2385(5) 0.6596(2) 0.038(1) Uani 1.00 d .
C(74) C 0.8002(3) 0.2657(4) 0.6952(2) 0.035(1) Uani 1.00 d .
C(75) C 0.6808(3) 0.1775(5) 0.8543(3) 0.040(1) Uani 1.00 d .
C(76) C 0.6673(3) 0.1072(5) 0.8970(3) 0.043(1) Uani 1.00 d .
C(77) C 0.6873(3) -0.0039(5) 0.8970(3) 0.039(1) Uani 1.00 d .
C(78) C 0.7188(2) -0.0420(4) 0.8531(2) 0.031(1) Uani 1.00 d .
C(79) C 0.7702(2) -0.0099(4) 0.7634(2) 0.0235(10) Uani 1.00 d .
C(80) C 0.7337(2) 0.2159(4) 0.7691(2) 0.031(1) Uani 1.00 d .
C(81) C 0.7937(2) 0.0724(4) 0.7280(2) 0.0238(10) Uani 1.00 d .
C(82) C 0.7745(2) 0.1860(4) 0.7305(2) 0.028(1) Uani 1.00 d .
C(83) C 0.7153(2) 0.1416(4) 0.8088(2) 0.030(1) Uani 1.00 d .
C(84) C 0.7345(2) 0.0283(4) 0.8071(2) 0.0233(10) Uani 1.00 d .
C(85) C 1.0646(3) 0.2536(5) 0.1546(2) 0.036(1) Uani 1.00 d .
C(86) C 1.1241(2) 0.2343(4) 0.1277(2) 0.034(1) Uani 1.00 d .
C(87) C 1.1602(2) 0.2130(4) 0.0363(2) 0.033(1) Uani 1.00 d .
C(88) C 1.1387(2) 0.1924(5) -0.0305(2) 0.035(1) Uani 1.00 d .
C(89) C 1.0822(2) 0.2661(5) -0.1231(2) 0.033(1) Uani 1.00 d .
C(90) C 1.0358(3) 0.3556(5) -0.1511(2) 0.036(1) Uani 1.00 d .
C(91) C 1.0663(3) 0.4519(5) 0.1537(2) 0.037(1) Uani 1.00 d .
C(92) C 1.0376(3) 0.5568(5) 0.1257(2) 0.036(1) Uani 1.00 d .
C(93) C 0.9998(3) 0.6504(4) 0.0332(3) 0.036(1) Uani 1.00 d .
C(94) C 0.5672(3) -0.2482(5) 0.1529(2) 0.037(1) Uani 1.00 d .
C(95) C 0.6261(2) -0.2655(4) 0.1241(2) 0.036(1) Uani 1.00 d .
C(96) C 0.6608(2) -0.2843(4) 0.0324(3) 0.035(1) Uani 1.00 d .
C(97) C 0.6389(2) -0.3049(4) -0.0347(3) 0.035(1) Uani 1.00 d .
C(98) C 0.5800(2) -0.2335(5) -0.1267(2) 0.034(1) Uani 1.00 d .
C(99) C 0.5316(3) -0.1474(5) -0.1548(2) 0.037(1) Uani 1.00 d .
C(100) C 0.5687(3) -0.0502(5) 0.1531(2) 0.036(1) Uani 1.00 d .
C(101) C 0.5382(3) 0.0566(4) 0.1257(2) 0.033(1) Uani 1.00 d .
C(102) C 0.5001(2) 0.1485(4) 0.0337(2) 0.030(1) Uani 1.00 d .
C(103) C 0.6663(2) 0.2577(5) 0.4672(2) 0.039(1) Uani 1.00 d .
C(104) C 0.6331(3) 0.3477(6) 0.4244(2) 0.042(1) Uani 1.00 d .
C(105) C 0.5310(3) 0.4055(5) 0.3700(3) 0.045(2) Uani 1.00 d .
C(106) C 0.4622(3) 0.3738(5) 0.3503(2) 0.041(1) Uani 1.00 d .
C(107) C 0.3609(3) 0.3581(5) 0.3805(2) 0.039(1) Uani 1.00 d .
C(108) C 0.3303(3) 0.3452(5) 0.4360(2) 0.040(1) Uani 1.00 d .
C(109) C 0.6695(3) 0.1474(5) 0.5569(3) 0.041(1) Uani 1.00 d .
C(110) C 0.6360(3) 0.0464(5) 0.5280(3) 0.041(1) Uani 1.00 d .
C(111) C 0.5353(3) -0.0409(5) 0.4967(3) 0.039(1) Uani 1.00 d .
C(112) C 0.8379(3) -0.0667(6) 0.4027(3) 0.047(2) Uani 1.00 d .
C(113) C 0.8891(3) -0.0773(6) 0.3630(3) 0.051(2) Uani 1.00 d .
C(114) C 0.9940(4) -0.1332(7) 0.3611(3) 0.057(2) Uani 1.00 d .
C(115) C 1.0586(3) -0.1662(6) 0.4003(3) 0.054(2) Uani 1.00 d .
C(116) C 1.1531(3) -0.0930(6) 0.4608(3) 0.049(2) Uani 1.00 d .
C(117) C 1.1797(3) 0.0027(5) 0.5016(3) 0.044(2) Uani 1.00 d .
C(118) C 0.8377(3) 0.1286(6) 0.4199(3) 0.047(2) Uani 1.00 d .
C(119) C 0.8668(4) 0.2256(6) 0.4574(3) 0.054(2) Uani 1.00 d .
C(120) C 0.9639(4) 0.3134(6) 0.4994(4) 0.072(2) Uani 1.00 d .
C(121) C 0.869(1) 0.620(2) 0.400(1) 0.213(9) Uiso 1.00 d .
C(122) C 0.8501(7) 0.572(1) 0.4555(6) 0.100(3) Uiso 1.00 d .
C(123) C 0.788(1) 0.525(2) 0.447(1) 0.192(8) Uiso 1.00 d .
C(124) C 0.710(1) 0.745(2) 0.521(1) 0.098(7) Uiso 0.51 d P
C(125) C 0.6389(5) 0.6944(8) 0.5149(5) 0.075(2) Uiso 1.00 d .
C(126) C 0.6389(9) 0.641(2) 0.5765(8) 0.069(5) Uiso 0.51 d P
C(127) C 0.676(1) 0.682(2) 0.572(1) 0.094(7) Uiso 0.49 d P
C(128) C 0.565(1) 0.646(2) 0.5119(10) 0.085(6) Uiso 0.49 d P
B(1) B 0.7197(2) 0.3537(5) 0.2433(2) 0.022(1) Uani 1.00 d .
B(2) B 0.7796(2) -0.1426(5) 0.7462(2) 0.023(1) Uani 1.00 d .
H(1) H 0.8366 0.4171 0.3033 0.0364 Uiso 1.00 calc .
H(2) H 0.9430 0.4223 0.3541 0.0520 Uiso 1.00 calc .
H(3) H 1.0156 0.2752 0.3491 0.0656 Uiso 1.00 calc .
H(4) H 0.9802 0.1269 0.2893 0.0545 Uiso 1.00 calc .
H(5) H 0.8174 -0.0512 0.1321 0.0550 Uiso 1.00 calc .
H(6) H 0.7236 -0.0387 0.0571 0.0617 Uiso 1.00 calc .
H(7) H 0.6510 0.1109 0.0574 0.0532 Uiso 1.00 calc .
H(8) H 0.6703 0.2367 0.1352 0.0389 Uiso 1.00 calc .
H(9) H 0.8933 0.0291 0.2199 0.0455 Uiso 1.00 calc .
H(10) H 0.6510 0.4804 0.3031 0.0367 Uiso 1.00 calc .
H(11) H 0.6167 0.6198 0.3573 0.0451 Uiso 1.00 calc .
H(12) H 0.6578 0.8002 0.3533 0.0533 Uiso 1.00 calc .
H(13) H 0.7312 0.8363 0.2928 0.0530 Uiso 1.00 calc .
H(14) H 0.8410 0.7302 0.1290 0.0558 Uiso 1.00 calc .
H(15) H 0.8497 0.6110 0.0524 0.0636 Uiso 1.00 calc .
H(16) H 0.8094 0.4293 0.0534 0.0576 Uiso 1.00 calc .
H(17) H 0.7613 0.3708 0.1316 0.0428 Uiso 1.00 calc .
H(18) H 0.7953 0.7774 0.2176 0.0460 Uiso 1.00 calc .
H(19) H 0.7159 0.1714 0.3050 0.0316 Uiso 1.00 calc .
H(20) H 0.6846 0.0211 0.3559 0.0380 Uiso 1.00 calc .
H(21) H 0.5732 -0.0137 0.3538 0.0440 Uiso 1.00 calc .
H(22) H 0.4935 0.0916 0.2936 0.0428 Uiso 1.00 calc .
H(23) H 0.4284 0.3631 0.1342 0.0433 Uiso 1.00 calc .
H(24) H 0.4540 0.4734 0.0585 0.0483 Uiso 1.00 calc .
H(25) H 0.5647 0.5184 0.0620 0.0458 Uiso 1.00 calc .
H(26) H 0.6467 0.4524 0.1367 0.0348 Uiso 1.00 calc .
H(27) H 0.4617 0.2398 0.2199 0.0355 Uiso 1.00 calc .
H(28) H 0.7824 -0.3267 0.6856 0.0418 Uiso 1.00 calc .
H(29) H 0.8124 -0.4680 0.6294 0.0565 Uiso 1.00 calc .
H(30) H 0.9248 -0.5107 0.6362 0.0588 Uiso 1.00 calc .
H(31) H 1.0038 -0.4186 0.7042 0.0564 Uiso 1.00 calc .
H(32) H 1.0688 -0.1415 0.8626 0.0607 Uiso 1.00 calc .
H(33) H 1.0421 -0.0266 0.9361 0.0606 Uiso 1.00 calc .
H(34) H 0.9316 0.0176 0.9312 0.0588 Uiso 1.00 calc .
H(35) H 0.8505 -0.0486 0.8553 0.0424 Uiso 1.00 calc .
H(36) H 1.0353 -0.2698 0.7778 0.0442 Uiso 1.00 calc .
H(37) H 0.6652 -0.0683 0.6868 0.0358 Uiso 1.00 calc .
H(38) H 0.5592 -0.0547 0.6326 0.0438 Uiso 1.00 calc .
H(39) H 0.4841 -0.1993 0.6321 0.0516 Uiso 1.00 calc .
H(40) H 0.5144 -0.3520 0.6925 0.0459 Uiso 1.00 calc .
H(41) H 0.6699 -0.5421 0.8510 0.0476 Uiso 1.00 calc .
H(42) H 0.7649 -0.5432 0.9238 0.0546 Uiso 1.00 calc .
H(43) H 0.8409 -0.3970 0.9283 0.0524 Uiso 1.00 calc .
H(44) H 0.8252 -0.2642 0.8550 0.0387 Uiso 1.00 calc .
H(45) H 0.5960 -0.4534 0.7659 0.0378 Uiso 1.00 calc .
H(46) H 0.8530 -0.0256 0.6873 0.0347 Uiso 1.00 calc .
H(47) H 0.8942 0.1086 0.6332 0.0388 Uiso 1.00 calc .
H(48) H 0.8599 0.2931 0.6365 0.0453 Uiso 1.00 calc .
H(49) H 0.7868 0.3402 0.6966 0.0425 Uiso 1.00 calc .
H(50) H 0.6673 0.2520 0.8548 0.0481 Uiso 1.00 calc .
H(51) H 0.6443 0.1322 0.9269 0.0516 Uiso 1.00 calc .
H(52) H 0.6787 -0.0528 0.9276 0.0467 Uiso 1.00 calc .
H(53) H 0.7307 -0.1175 0.8535 0.0368 Uiso 1.00 calc .
H(54) H 0.7181 0.2893 0.7682 0.0373 Uiso 1.00 calc .
H(55) H 1.0786 0.2594 0.1978 0.0431 Uiso 1.00 calc .
H(56) H 1.0362 0.1924 0.1449 0.0431 Uiso 1.00 calc .
H(57) H 1.1536 0.2942 0.1377 0.0406 Uiso 1.00 calc .
H(58) H 1.1452 0.1684 0.1442 0.0406 Uiso 1.00 calc .
H(59) H 1.1855 0.2784 0.0426 0.0402 Uiso 1.00 calc .
H(60) H 1.1861 0.1529 0.0548 0.0402 Uiso 1.00 calc .
H(61) H 1.1161 0.1243 -0.0368 0.0422 Uiso 1.00 calc .
H(62) H 1.1762 0.1896 -0.0485 0.0422 Uiso 1.00 calc .
H(63) H 1.0626 0.1965 -0.1339 0.0399 Uiso 1.00 calc .
H(64) H 1.1216 0.2716 -0.1379 0.0399 Uiso 1.00 calc .
H(65) H 1.0264 0.3484 -0.1944 0.0434 Uiso 1.00 calc .
H(66) H 1.0553 0.4251 -0.1399 0.0434 Uiso 1.00 calc .
H(67) H 1.1085 0.4438 0.1445 0.0441 Uiso 1.00 calc .
H(68) H 1.0704 0.4572 0.1967 0.0441 Uiso 1.00 calc .
H(69) H 0.9955 0.5671 0.1349 0.0427 Uiso 1.00 calc .
H(70) H 1.0653 0.6162 0.1419 0.0427 Uiso 1.00 calc .
H(71) H 0.9539 0.6509 0.0435 0.0483 Uiso 1.00 calc .
H(72) H 1.0281 0.7232 0.0541 0.0483 Uiso 1.00 calc .
H(73) H 0.5388 -0.3095 0.1430 0.0446 Uiso 1.00 calc .
H(74) H 0.5822 -0.2442 0.1961 0.0446 Uiso 1.00 calc .
H(75) H 0.6479 -0.3315 0.1395 0.0426 Uiso 1.00 calc .
H(76) H 0.6554 -0.2053 0.1340 0.0426 Uiso 1.00 calc .
H(77) H 0.6870 -0.3441 0.0508 0.0415 Uiso 1.00 calc .
H(78) H 0.6859 -0.2186 0.0386 0.0415 Uiso 1.00 calc .
H(79) H 0.6159 -0.3726 -0.0410 0.0414 Uiso 1.00 calc .
H(80) H 0.6762 -0.3083 -0.0529 0.0414 Uiso 1.00 calc .
H(81) H 0.5609 -0.3042 -0.1357 0.0411 Uiso 1.00 calc .
H(82) H 0.6182 -0.2278 -0.1433 0.0411 Uiso 1.00 calc .
H(83) H 0.5297 -0.1552 -0.2027 0.0483 Uiso 1.00 calc .
H(84) H 0.5601 -0.0716 -0.1440 0.0483 Uiso 1.00 calc .
H(85) H 0.6102 -0.0583 0.1425 0.0427 Uiso 1.00 calc .
H(86) H 0.5744 -0.0456 0.1964 0.0427 Uiso 1.00 calc .
H(87) H 0.4967 0.0665 0.1360 0.0401 Uiso 1.00 calc .
H(88) H 0.5661 0.1163 0.1413 0.0401 Uiso 1.00 calc .
H(89) H 0.4530 0.1536 0.0434 0.0483 Uiso 1.00 calc .
H(90) H 0.5181 0.2273 0.0539 0.0483 Uiso 1.00 calc .
H(91) H 0.7123 0.2709 0.4758 0.0469 Uiso 1.00 calc .
H(92) H 0.6574 0.1892 0.4467 0.0469 Uiso 1.00 calc .
H(93) H 0.6420 0.4173 0.4436 0.0509 Uiso 1.00 calc .
H(94) H 0.6490 0.3467 0.3876 0.0509 Uiso 1.00 calc .
H(95) H 0.5335 0.4754 0.3895 0.0542 Uiso 1.00 calc .
H(96) H 0.5506 0.4099 0.3354 0.0542 Uiso 1.00 calc .
H(97) H 0.4410 0.4238 0.3201 0.0497 Uiso 1.00 calc .
H(98) H 0.4602 0.3018 0.3335 0.0497 Uiso 1.00 calc .
H(99) H 0.3420 0.4198 0.3572 0.0470 Uiso 1.00 calc .
H(100) H 0.3529 0.2939 0.3559 0.0470 Uiso 1.00 calc .
H(101) H 0.3377 0.4271 0.4604 0.0483 Uiso 1.00 calc .
H(102) H 0.2778 0.3489 0.4237 0.0483 Uiso 1.00 calc .
H(103) H 0.7150 0.1413 0.5573 0.0493 Uiso 1.00 calc .
H(104) H 0.6634 0.1515 0.5978 0.0493 Uiso 1.00 calc .
H(105) H 0.6421 0.0407 0.4870 0.0490 Uiso 1.00 calc .
H(106) H 0.6543 -0.0164 0.5505 0.0490 Uiso 1.00 calc .
H(107) H 0.5281 -0.0291 0.4535 0.0470 Uiso 1.00 calc .
H(108) H 0.5632 -0.1043 0.5065 0.0470 Uiso 1.00 calc .
H(109) H 0.7964 -0.0517 0.3770 0.0566 Uiso 1.00 calc .
H(110) H 0.8356 -0.1343 0.4236 0.0566 Uiso 1.00 calc .
H(111) H 0.8940 -0.0085 0.3444 0.0613 Uiso 1.00 calc .
H(112) H 0.8752 -0.1310 0.3322 0.0613 Uiso 1.00 calc .
H(113) H 1.0000 -0.0702 0.3378 0.0682 Uiso 1.00 calc .
H(114) H 0.9774 -0.1918 0.3342 0.0682 Uiso 1.00 calc .
H(115) H 1.0871 -0.1914 0.3752 0.0644 Uiso 1.00 calc .
H(116) H 1.0522 -0.2232 0.4275 0.0644 Uiso 1.00 calc .
H(117) H 1.1774 -0.1002 0.4295 0.0586 Uiso 1.00 calc .
H(118) H 1.1571 -0.1585 0.4844 0.0586 Uiso 1.00 calc .
H(119) H 1.1759 0.0682 0.4781 0.0527 Uiso 1.00 calc .
H(120) H 1.2245 -0.0101 0.5198 0.0527 Uiso 1.00 calc .
H(121) H 0.8525 0.1300 0.3825 0.0565 Uiso 1.00 calc .
H(122) H 0.7914 0.1363 0.4116 0.0565 Uiso 1.00 calc .
H(123) H 0.8526 0.2915 0.4357 0.0649 Uiso 1.00 calc .
H(124) H 0.8531 0.2256 0.4953 0.0649 Uiso 1.00 calc .
H(125) H 0.9502 0.3768 0.4756 0.0870 Uiso 1.00 calc .
H(126) H 0.9513 0.3189 0.5377 0.0870 Uiso 1.00 calc .
H(127) H 0.8322 0.6188 0.3673 0.2566 Uiso 1.00 calc .
H(128) H 0.8843 0.6919 0.4087 0.2566 Uiso 1.00 calc .
H(129) H 0.9030 0.5754 0.3901 0.2566 Uiso 1.00 calc .
H(130) H 0.7638 0.5401 0.4059 0.2306 Uiso 1.00 calc .
H(131) H 0.7641 0.5549 0.4749 0.2306 Uiso 1.00 calc .
H(132) H 0.7911 0.4476 0.4520 0.2306 Uiso 1.00 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
K K 0.200 0.250
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(1) K(1) O(1) 112.9(2) 1_555 1_555 2_755 yes
O(1) K(1) O(2) 59.20(10) 1_555 1_555 1_555 yes
O(1) K(1) O(2) 98.6(1) 1_555 1_555 2_755 yes
O(1) K(1) O(3) 99.2(1) 1_555 1_555 1_555 yes
O(1) K(1) O(3) 143.4(1) 1_555 1_555 2_755 yes
O(1) K(1) N(1) 61.1(1) 1_555 1_555 1_555 yes
O(1) K(1) N(1) 119.0(1) 1_555 1_555 2_755 yes
O(1) K(1) O(2) 98.6(1) 2_755 1_555 1_555 yes
O(1) K(1) O(2) 59.20(10) 2_755 1_555 2_755 yes
O(1) K(1) O(3) 143.4(1) 2_755 1_555 1_555 yes
O(1) K(1) O(3) 99.2(1) 2_755 1_555 2_755 yes
O(1) K(1) N(1) 119.0(1) 2_755 1_555 1_555 yes
O(1) K(1) N(1) 61.1(1) 2_755 1_555 2_755 yes
O(2) K(1) O(2) 141.7(2) 1_555 1_555 2_755 yes
O(2) K(1) O(3) 113.3(1) 1_555 1_555 1_555 yes
O(2) K(1) O(3) 100.1(1) 1_555 1_555 2_755 yes
O(2) K(1) N(1) 117.9(1) 1_555 1_555 1_555 yes
O(2) K(1) N(1) 62.1(1) 1_555 1_555 2_755 yes
O(2) K(1) O(3) 100.1(1) 2_755 1_555 1_555 yes
O(2) K(1) O(3) 113.3(1) 2_755 1_555 2_755 yes
O(2) K(1) N(1) 62.1(1) 2_755 1_555 1_555 yes
O(2) K(1) N(1) 117.9(1) 2_755 1_555 2_755 yes
O(3) K(1) O(3) 59.0(2) 1_555 1_555 2_755 yes
O(3) K(1) N(1) 61.7(1) 1_555 1_555 1_555 yes
O(3) K(1) N(1) 118.2(1) 1_555 1_555 2_755 yes
O(3) K(1) N(1) 118.2(1) 2_755 1_555 1_555 yes
O(3) K(1) N(1) 61.7(1) 2_755 1_555 2_755 yes
N(1) K(1) N(1) 179.8(2) 1_555 1_555 2_755 yes
O(4) K(2) O(4) 113.6(2) 1_555 1_555 2_655 yes
O(4) K(2) O(5) 59.2(1) 1_555 1_555 1_555 yes
O(4) K(2) O(5) 100.1(1) 1_555 1_555 2_655 yes
O(4) K(2) O(6) 99.6(1) 1_555 1_555 1_555 yes
O(4) K(2) O(6) 141.9(1) 1_555 1_555 2_655 yes
O(4) K(2) N(2) 62.0(1) 1_555 1_555 1_555 yes
O(4) K(2) N(2) 118.0(1) 1_555 1_555 2_655 yes
O(4) K(2) O(5) 100.1(1) 2_655 1_555 1_555 yes
O(4) K(2) O(5) 59.2(1) 2_655 1_555 2_655 yes
O(4) K(2) O(6) 141.9(1) 2_655 1_555 1_555 yes
O(4) K(2) O(6) 99.6(1) 2_655 1_555 2_655 yes
O(4) K(2) N(2) 118.0(1) 2_655 1_555 1_555 yes
O(4) K(2) N(2) 62.0(1) 2_655 1_555 2_655 yes
O(5) K(2) O(5) 144.2(2) 1_555 1_555 2_655 yes
O(5) K(2) O(6) 113.2(1) 1_555 1_555 1_555 yes
O(5) K(2) O(6) 98.16(10) 1_555 1_555 2_655 yes
O(5) K(2) N(2) 118.8(1) 1_555 1_555 1_555 yes
O(5) K(2) N(2) 61.3(1) 1_555 1_555 2_655 yes
O(5) K(2) O(6) 98.16(10) 2_655 1_555 1_555 yes
O(5) K(2) O(6) 113.2(1) 2_655 1_555 2_655 yes
O(5) K(2) N(2) 61.3(1) 2_655 1_555 1_555 yes
O(5) K(2) N(2) 118.8(1) 2_655 1_555 2_655 yes
O(6) K(2) O(6) 58.9(1) 1_555 1_555 2_655 yes
O(6) K(2) N(2) 61.6(1) 1_555 1_555 1_555 yes
O(6) K(2) N(2) 118.3(1) 1_555 1_555 2_655 yes
O(6) K(2) N(2) 118.3(1) 2_655 1_555 1_555 yes
O(6) K(2) N(2) 61.6(1) 2_655 1_555 2_655 yes
N(2) K(2) N(2) 179.9(2) 1_555 1_555 2_655 yes
O(7) K(3) O(7) 140.3(2) 1_555 1_555 2_656 yes
O(7) K(3) O(8) 60.3(1) 1_555 1_555 1_555 yes
O(7) K(3) O(8) 97.6(1) 1_555 1_555 2_656 yes
O(7) K(3) O(9) 98.3(1) 1_555 1_555 1_555 yes
O(7) K(3) O(9) 116.1(1) 1_555 1_555 2_656 yes
O(7) K(3) N(3) 60.5(1) 1_555 1_555 1_555 yes
O(7) K(3) N(3) 119.5(1) 1_555 1_555 2_656 yes
O(7) K(3) O(8) 97.6(1) 2_656 1_555 1_555 yes
O(7) K(3) O(8) 60.3(1) 2_656 1_555 2_656 yes
O(7) K(3) O(9) 116.1(1) 2_656 1_555 1_555 yes
O(7) K(3) O(9) 98.3(1) 2_656 1_555 2_656 yes
O(7) K(3) N(3) 119.5(1) 2_656 1_555 1_555 yes
O(7) K(3) N(3) 60.5(1) 2_656 1_555 2_656 yes
O(8) K(3) O(8) 115.4(2) 1_555 1_555 2_656 yes
O(8) K(3) O(9) 141.5(1) 1_555 1_555 1_555 yes
O(8) K(3) O(9) 98.0(1) 1_555 1_555 2_656 yes
O(8) K(3) N(3) 119.2(1) 1_555 1_555 1_555 yes
O(8) K(3) N(3) 60.9(1) 1_555 1_555 2_656 yes
O(8) K(3) O(9) 98.0(1) 2_656 1_555 1_555 yes
O(8) K(3) O(9) 141.5(1) 2_656 1_555 2_656 yes
O(8) K(3) N(3) 60.9(1) 2_656 1_555 1_555 yes
O(8) K(3) N(3) 119.2(1) 2_656 1_555 2_656 yes
O(9) K(3) O(9) 60.9(2) 1_555 1_555 2_656 yes
O(9) K(3) N(3) 60.4(1) 1_555 1_555 1_555 yes
O(9) K(3) N(3) 119.5(1) 1_555 1_555 2_656 yes
O(9) K(3) N(3) 119.5(1) 2_656 1_555 1_555 yes
O(9) K(3) N(3) 60.4(1) 2_656 1_555 2_656 yes
N(3) K(3) N(3) 179.9(2) 1_555 1_555 2_656 yes
O(10) K(4) O(10) 111.3(2) 1_555 1_555 2_756 yes
O(10) K(4) O(11) 61.3(1) 1_555 1_555 1_555 yes
O(10) K(4) O(11) 91.0(1) 1_555 1_555 2_756 yes
O(10) K(4) O(12) 101.4(1) 1_555 1_555 1_555 yes
O(10) K(4) O(12) 141.2(1) 1_555 1_555 2_756 yes
O(10) K(4) N(4) 60.4(1) 1_555 1_555 1_555 yes
O(10) K(4) N(4) 120.0(1) 1_555 1_555 2_756 yes
O(10) K(4) O(11) 91.0(1) 2_756 1_555 1_555 yes
O(10) K(4) O(11) 61.3(1) 2_756 1_555 2_756 yes
O(10) K(4) O(12) 141.2(1) 2_756 1_555 1_555 yes
O(10) K(4) O(12) 101.4(1) 2_756 1_555 2_756 yes
O(10) K(4) N(4) 120.0(1) 2_756 1_555 1_555 yes
O(10) K(4) N(4) 60.4(1) 2_756 1_555 2_756 yes
O(11) K(4) O(11) 131.6(2) 1_555 1_555 2_756 yes
O(11) K(4) O(12) 123.7(1) 1_555 1_555 1_555 yes
O(11) K(4) O(12) 98.9(1) 1_555 1_555 2_756 yes
O(11) K(4) N(4) 120.5(1) 1_555 1_555 1_555 yes
O(11) K(4) N(4) 59.8(1) 1_555 1_555 2_756 yes
O(11) K(4) O(12) 98.9(1) 2_756 1_555 1_555 yes
O(11) K(4) O(12) 123.7(1) 2_756 1_555 2_756 yes
O(11) K(4) N(4) 59.8(1) 2_756 1_555 1_555 yes
O(11) K(4) N(4) 120.5(1) 2_756 1_555 2_756 yes
O(12) K(4) O(12) 60.2(2) 1_555 1_555 2_756 yes
O(12) K(4) N(4) 59.9(1) 1_555 1_555 1_555 yes
O(12) K(4) N(4) 119.4(1) 1_555 1_555 2_756 yes
O(12) K(4) N(4) 119.4(1) 2_756 1_555 1_555 yes
O(12) K(4) N(4) 59.9(1) 2_756 1_555 2_756 yes
N(4) K(4) N(4) 179.3(2) 1_555 1_555 2_756 yes
K(1) O(1) C(86) 119.1(3) 1_555 1_555 1_555 yes
K(1) O(1) C(87) 117.1(3) 1_555 1_555 1_555 yes
C(86) O(1) C(87) 111.3(4) 1_555 1_555 1_555 yes
K(1) O(2) C(88) 118.9(3) 1_555 1_555 1_555 yes
K(1) O(2) C(89) 119.3(3) 1_555 1_555 1_555 yes
C(88) O(2) C(89) 110.4(4) 1_555 1_555 1_555 yes
K(1) O(3) C(92) 119.0(3) 1_555 1_555 1_555 yes
K(1) O(3) C(93) 118.4(3) 1_555 1_555 1_555 yes
C(92) O(3) C(93) 110.2(4) 1_555 1_555 1_555 yes
K(2) O(4) C(95) 119.6(3) 1_555 1_555 1_555 yes
K(2) O(4) C(96) 118.4(3) 1_555 1_555 1_555 yes
C(95) O(4) C(96) 110.2(4) 1_555 1_555 1_555 yes
K(2) O(5) C(97) 117.0(3) 1_555 1_555 1_555 yes
K(2) O(5) C(98) 118.5(3) 1_555 1_555 1_555 yes
C(97) O(5) C(98) 110.8(4) 1_555 1_555 1_555 yes
K(2) O(6) C(101) 119.9(3) 1_555 1_555 1_555 yes
K(2) O(6) C(102) 118.6(3) 1_555 1_555 1_555 yes
C(101) O(6) C(102) 110.4(4) 1_555 1_555 1_555 yes
K(3) O(7) C(104) 122.0(3) 1_555 1_555 1_555 yes
K(3) O(7) C(105) 116.7(3) 1_555 1_555 1_555 yes
C(104) O(7) C(105) 110.9(5) 1_555 1_555 1_555 yes
K(3) O(8) C(106) 111.4(3) 1_555 1_555 1_555 yes
K(3) O(8) C(107) 119.3(3) 1_555 1_555 1_555 yes
C(106) O(8) C(107) 111.8(4) 1_555 1_555 1_555 yes
K(3) O(9) C(110) 120.2(3) 1_555 1_555 1_555 yes
K(3) O(9) C(111) 114.5(3) 1_555 1_555 1_555 yes
C(110) O(9) C(111) 110.4(4) 1_555 1_555 1_555 yes
K(4) O(10) C(113) 117.3(3) 1_555 1_555 1_555 yes
K(4) O(10) C(114) 114.0(4) 1_555 1_555 1_555 yes
C(113) O(10) C(114) 111.1(5) 1_555 1_555 1_555 yes
K(4) O(11) C(115) 111.9(3) 1_555 1_555 1_555 yes
K(4) O(11) C(116) 122.0(3) 1_555 1_555 1_555 yes
C(115) O(11) C(116) 110.4(5) 1_555 1_555 1_555 yes
K(4) O(12) C(119) 121.4(4) 1_555 1_555 1_555 yes
K(4) O(12) C(120) 116.7(4) 1_555 1_555 1_555 yes
C(119) O(12) C(120) 110.0(6) 1_555 1_555 1_555 yes
O(15) O(14) C(125) 75(1) 1_555 1_555 1_555 yes
O(15) O(14) C(128) 137(2) 1_555 1_555 1_555 yes
C(125) O(14) C(128) 72(1) 1_555 1_555 1_555 yes
O(14) O(15) C(124) 115(1) 1_555 1_555 1_555 yes
O(14) O(15) C(125) 58(1) 1_555 1_555 1_555 yes
C(124) O(15) C(125) 60(1) 1_555 1_555 1_555 yes
K(1) N(1) C(85) 109.0(3) 1_555 1_555 1_555 yes
K(1) N(1) C(90) 106.7(3) 1_555 1_555 2_755 yes
K(1) N(1) C(91) 108.2(3) 1_555 1_555 1_555 yes
C(85) N(1) C(90) 111.7(4) 1_555 1_555 2_755 yes
C(85) N(1) C(91) 110.9(4) 1_555 1_555 1_555 yes
C(90) N(1) C(91) 110.1(4) 2_755 1_555 1_555 yes
K(2) N(2) C(94) 107.8(3) 1_555 1_555 1_555 yes
K(2) N(2) C(99) 109.6(3) 1_555 1_555 2_655 yes
K(2) N(2) C(100) 108.0(3) 1_555 1_555 1_555 yes
C(94) N(2) C(99) 110.0(4) 1_555 1_555 2_655 yes
C(94) N(2) C(100) 110.5(4) 1_555 1_555 1_555 yes
C(99) N(2) C(100) 110.8(4) 2_655 1_555 1_555 yes
K(3) N(3) C(103) 108.6(3) 1_555 1_555 1_555 yes
K(3) N(3) C(108) 109.1(3) 1_555 1_555 2_656 yes
K(3) N(3) C(109) 109.3(3) 1_555 1_555 1_555 yes
C(103) N(3) C(108) 110.0(4) 1_555 1_555 2_656 yes
C(103) N(3) C(109) 109.9(4) 1_555 1_555 1_555 yes
C(108) N(3) C(109) 109.9(4) 2_656 1_555 1_555 yes
K(4) N(4) C(112) 109.0(3) 1_555 1_555 1_555 yes
K(4) N(4) C(117) 108.7(3) 1_555 1_555 2_756 yes
K(4) N(4) C(118) 107.7(4) 1_555 1_555 1_555 yes
C(112) N(4) C(117) 109.9(5) 1_555 1_555 2_756 yes
C(112) N(4) C(118) 110.3(5) 1_555 1_555 1_555 yes
C(117) N(4) C(118) 111.2(5) 2_756 1_555 1_555 yes
C(2) C(1) C(11) 121.3(5) 1_555 1_555 1_555 yes
C(2) C(1) H(1) 119.4(6) 1_555 1_555 1_555 no
C(11) C(1) H(1) 119.3(5) 1_555 1_555 1_555 no
C(1) C(2) C(3) 122.0(6) 1_555 1_555 1_555 yes
C(1) C(2) H(2) 118.9(6) 1_555 1_555 1_555 no
C(3) C(2) H(2) 119.1(6) 1_555 1_555 1_555 no
C(2) C(3) C(4) 119.2(6) 1_555 1_555 1_555 yes
C(2) C(3) H(3) 120.5(8) 1_555 1_555 1_555 no
C(4) C(3) H(3) 120.3(7) 1_555 1_555 1_555 no
C(3) C(4) C(12) 121.6(6) 1_555 1_555 1_555 yes
C(3) C(4) H(4) 119.2(6) 1_555 1_555 1_555 no
C(12) C(4) H(4) 119.2(7) 1_555 1_555 1_555 no
C(6) C(5) C(13) 121.4(6) 1_555 1_555 1_555 yes
C(6) C(5) H(5) 119.3(6) 1_555 1_555 1_555 no
C(13) C(5) H(5) 119.3(7) 1_555 1_555 1_555 no
C(5) C(6) C(7) 119.4(5) 1_555 1_555 1_555 yes
C(5) C(6) H(6) 120.4(7) 1_555 1_555 1_555 no
C(7) C(6) H(6) 120.2(8) 1_555 1_555 1_555 no
C(6) C(7) C(8) 120.3(6) 1_555 1_555 1_555 yes
C(6) C(7) H(7) 119.8(6) 1_555 1_555 1_555 no
C(8) C(7) H(7) 119.9(7) 1_555 1_555 1_555 no
C(7) C(8) C(14) 122.9(5) 1_555 1_555 1_555 yes
C(7) C(8) H(8) 118.6(6) 1_555 1_555 1_555 no
C(14) C(8) H(8) 118.5(5) 1_555 1_555 1_555 no
C(11) C(9) C(14) 116.0(4) 1_555 1_555 1_555 yes
C(11) C(9) B(1) 118.8(4) 1_555 1_555 1_555 yes
C(14) C(9) B(1) 125.0(4) 1_555 1_555 1_555 yes
C(12) C(10) C(13) 120.6(5) 1_555 1_555 1_555 yes
C(12) C(10) H(9) 119.8(6) 1_555 1_555 1_555 no
C(13) C(10) H(9) 119.6(6) 1_555 1_555 1_555 no
C(1) C(11) C(9) 122.1(4) 1_555 1_555 1_555 yes
C(1) C(11) C(12) 116.2(5) 1_555 1_555 1_555 yes
C(9) C(11) C(12) 121.7(5) 1_555 1_555 1_555 yes
C(4) C(12) C(10) 120.5(5) 1_555 1_555 1_555 yes
C(4) C(12) C(11) 119.7(5) 1_555 1_555 1_555 yes
C(10) C(12) C(11) 119.8(5) 1_555 1_555 1_555 yes
C(5) C(13) C(10) 120.5(5) 1_555 1_555 1_555 yes
C(5) C(13) C(14) 119.4(6) 1_555 1_555 1_555 yes
C(10) C(13) C(14) 120.0(5) 1_555 1_555 1_555 yes
C(8) C(14) C(9) 122.5(5) 1_555 1_555 1_555 yes
C(8) C(14) C(13) 116.5(5) 1_555 1_555 1_555 yes
C(9) C(14) C(13) 120.9(5) 1_555 1_555 1_555 yes
C(16) C(15) C(25) 122.0(5) 1_555 1_555 1_555 yes
C(16) C(15) H(10) 119.0(5) 1_555 1_555 1_555 no
C(25) C(15) H(10) 119.0(5) 1_555 1_555 1_555 no
C(15) C(16) C(17) 121.2(5) 1_555 1_555 1_555 yes
C(15) C(16) H(11) 119.4(6) 1_555 1_555 1_555 no
C(17) C(16) H(11) 119.4(5) 1_555 1_555 1_555 no
C(16) C(17) C(18) 119.1(5) 1_555 1_555 1_555 yes
C(16) C(17) H(12) 120.5(6) 1_555 1_555 1_555 no
C(18) C(17) H(12) 120.4(6) 1_555 1_555 1_555 no
C(17) C(18) C(26) 122.6(5) 1_555 1_555 1_555 yes
C(17) C(18) H(13) 118.5(6) 1_555 1_555 1_555 no
C(26) C(18) H(13) 118.9(6) 1_555 1_555 1_555 no
C(20) C(19) C(27) 121.4(6) 1_555 1_555 1_555 yes
C(20) C(19) H(14) 119.3(6) 1_555 1_555 1_555 no
C(27) C(19) H(14) 119.3(7) 1_555 1_555 1_555 no
C(19) C(20) C(21) 120.1(5) 1_555 1_555 1_555 yes
C(19) C(20) H(15) 119.9(8) 1_555 1_555 1_555 no
C(21) C(20) H(15) 120.0(8) 1_555 1_555 1_555 no
C(20) C(21) C(22) 120.3(6) 1_555 1_555 1_555 yes
C(20) C(21) H(16) 119.8(5) 1_555 1_555 1_555 no
C(22) C(21) H(16) 119.8(7) 1_555 1_555 1_555 no
C(21) C(22) C(28) 121.6(5) 1_555 1_555 1_555 yes
C(21) C(22) H(17) 119.3(6) 1_555 1_555 1_555 no
C(28) C(22) H(17) 119.2(5) 1_555 1_555 1_555 no
C(25) C(23) C(28) 115.4(4) 1_555 1_555 1_555 yes
C(25) C(23) B(1) 119.4(4) 1_555 1_555 1_555 yes
C(28) C(23) B(1) 124.9(4) 1_555 1_555 1_555 yes
C(26) C(24) C(27) 120.7(5) 1_555 1_555 1_555 yes
C(26) C(24) H(18) 119.8(6) 1_555 1_555 1_555 no
C(27) C(24) H(18) 119.5(6) 1_555 1_555 1_555 no
C(15) C(25) C(23) 121.8(4) 1_555 1_555 1_555 yes
C(15) C(25) C(26) 116.4(4) 1_555 1_555 1_555 yes
C(23) C(25) C(26) 121.7(4) 1_555 1_555 1_555 yes
C(18) C(26) C(24) 121.7(5) 1_555 1_555 1_555 yes
C(18) C(26) C(25) 118.6(5) 1_555 1_555 1_555 yes
C(24) C(26) C(25) 119.7(5) 1_555 1_555 1_555 yes
C(19) C(27) C(24) 120.4(5) 1_555 1_555 1_555 yes
C(19) C(27) C(28) 119.9(6) 1_555 1_555 1_555 yes
C(24) C(27) C(28) 119.5(5) 1_555 1_555 1_555 yes
C(22) C(28) C(23) 121.3(5) 1_555 1_555 1_555 yes
C(22) C(28) C(27) 116.6(4) 1_555 1_555 1_555 yes
C(23) C(28) C(27) 122.0(5) 1_555 1_555 1_555 yes
C(30) C(29) C(39) 121.3(4) 1_555 1_555 1_555 yes
C(30) C(29) H(19) 119.3(5) 1_555 1_555 1_555 no
C(39) C(29) H(19) 119.3(4) 1_555 1_555 1_555 no
C(29) C(30) C(31) 120.9(5) 1_555 1_555 1_555 yes
C(29) C(30) H(20) 119.6(5) 1_555 1_555 1_555 no
C(31) C(30) H(20) 119.5(5) 1_555 1_555 1_555 no
C(30) C(31) C(32) 119.7(5) 1_555 1_555 1_555 yes
C(30) C(31) H(21) 120.1(6) 1_555 1_555 1_555 no
C(32) C(31) H(21) 120.1(6) 1_555 1_555 1_555 no
C(31) C(32) C(40) 121.2(4) 1_555 1_555 1_555 yes
C(31) C(32) H(22) 119.3(5) 1_555 1_555 1_555 no
C(40) C(32) H(22) 119.5(6) 1_555 1_555 1_555 no
C(34) C(33) C(41) 122.8(5) 1_555 1_555 1_555 yes
C(34) C(33) H(23) 118.5(6) 1_555 1_555 1_555 no
C(41) C(33) H(23) 118.7(6) 1_555 1_555 1_555 no
C(33) C(34) C(35) 117.7(5) 1_555 1_555 1_555 yes
C(33) C(34) H(24) 121.2(6) 1_555 1_555 1_555 no
C(35) C(34) H(24) 121.1(6) 1_555 1_555 1_555 no
C(34) C(35) C(36) 122.0(5) 1_555 1_555 1_555 yes
C(34) C(35) H(25) 119.0(5) 1_555 1_555 1_555 no
C(36) C(35) H(25) 119.0(6) 1_555 1_555 1_555 no
C(35) C(36) C(42) 122.5(5) 1_555 1_555 1_555 yes
C(35) C(36) H(26) 118.8(5) 1_555 1_555 1_555 no
C(42) C(36) H(26) 118.7(5) 1_555 1_555 1_555 no
C(39) C(37) C(42) 116.1(4) 1_555 1_555 1_555 yes
C(39) C(37) B(1) 119.0(4) 1_555 1_555 1_555 yes
C(42) C(37) B(1) 124.7(4) 1_555 1_555 1_555 yes
C(40) C(38) C(41) 121.1(4) 1_555 1_555 1_555 yes
C(40) C(38) H(27) 119.4(5) 1_555 1_555 1_555 no
C(41) C(38) H(27) 119.5(5) 1_555 1_555 1_555 no
C(29) C(39) C(37) 121.6(4) 1_555 1_555 1_555 yes
C(29) C(39) C(40) 116.2(4) 1_555 1_555 1_555 yes
C(37) C(39) C(40) 122.2(4) 1_555 1_555 1_555 yes
C(32) C(40) C(38) 120.7(4) 1_555 1_555 1_555 yes
C(32) C(40) C(39) 120.4(5) 1_555 1_555 1_555 yes
C(38) C(40) C(39) 118.8(4) 1_555 1_555 1_555 yes
C(33) C(41) C(38) 120.7(4) 1_555 1_555 1_555 yes
C(33) C(41) C(42) 119.1(4) 1_555 1_555 1_555 yes
C(38) C(41) C(42) 120.0(4) 1_555 1_555 1_555 yes
C(36) C(42) C(37) 123.2(4) 1_555 1_555 1_555 yes
C(36) C(42) C(41) 115.7(4) 1_555 1_555 1_555 yes
C(37) C(42) C(41) 121.1(4) 1_555 1_555 1_555 yes
C(44) C(43) C(53) 122.2(5) 1_555 1_555 1_555 yes
C(44) C(43) H(28) 118.9(6) 1_555 1_555 1_555 no
C(53) C(43) H(28) 118.9(5) 1_555 1_555 1_555 no
C(43) C(44) C(45) 120.3(6) 1_555 1_555 1_555 yes
C(43) C(44) H(29) 119.9(7) 1_555 1_555 1_555 no
C(45) C(44) H(29) 119.9(6) 1_555 1_555 1_555 no
C(44) C(45) C(46) 119.9(5) 1_555 1_555 1_555 yes
C(44) C(45) H(30) 120.1(8) 1_555 1_555 1_555 no
C(46) C(45) H(30) 119.9(7) 1_555 1_555 1_555 no
C(45) C(46) C(54) 121.3(5) 1_555 1_555 1_555 yes
C(45) C(46) H(31) 119.4(6) 1_555 1_555 1_555 no
C(54) C(46) H(31) 119.4(7) 1_555 1_555 1_555 no
C(48) C(47) C(55) 121.0(6) 1_555 1_555 1_555 yes
C(48) C(47) H(32) 119.4(7) 1_555 1_555 1_555 no
C(55) C(47) H(32) 119.6(7) 1_555 1_555 1_555 no
C(47) C(48) C(49) 119.2(6) 1_555 1_555 1_555 yes
C(47) C(48) H(33) 120.3(7) 1_555 1_555 1_555 no
C(49) C(48) H(33) 120.5(7) 1_555 1_555 1_555 no
C(48) C(49) C(50) 121.4(6) 1_555 1_555 1_555 yes
C(48) C(49) H(34) 119.4(6) 1_555 1_555 1_555 no
C(50) C(49) H(34) 119.2(6) 1_555 1_555 1_555 no
C(49) C(50) C(56) 122.8(5) 1_555 1_555 1_555 yes
C(49) C(50) H(35) 118.6(6) 1_555 1_555 1_555 no
C(56) C(50) H(35) 118.6(5) 1_555 1_555 1_555 no
C(53) C(51) C(56) 116.1(4) 1_555 1_555 1_555 yes
C(53) C(51) B(2) 119.2(4) 1_555 1_555 1_555 yes
C(56) C(51) B(2) 124.5(4) 1_555 1_555 1_555 yes
C(54) C(52) C(55) 121.3(4) 1_555 1_555 1_555 yes
C(54) C(52) H(36) 119.4(6) 1_555 1_555 1_555 no
C(55) C(52) H(36) 119.4(6) 1_555 1_555 1_555 no
C(43) C(53) C(51) 121.7(4) 1_555 1_555 1_555 yes
C(43) C(53) C(54) 116.6(5) 1_555 1_555 1_555 yes
C(51) C(53) C(54) 121.7(5) 1_555 1_555 1_555 yes
C(46) C(54) C(52) 120.6(5) 1_555 1_555 1_555 yes
C(46) C(54) C(53) 119.6(6) 1_555 1_555 1_555 yes
C(52) C(54) C(53) 119.7(5) 1_555 1_555 1_555 yes
C(47) C(55) C(52) 120.7(5) 1_555 1_555 1_555 yes
C(47) C(55) C(56) 119.9(5) 1_555 1_555 1_555 yes
C(52) C(55) C(56) 119.3(5) 1_555 1_555 1_555 yes
C(50) C(56) C(51) 123.0(4) 1_555 1_555 1_555 yes
C(50) C(56) C(55) 115.5(5) 1_555 1_555 1_555 yes
C(51) C(56) C(55) 121.3(5) 1_555 1_555 1_555 yes
C(58) C(57) C(67) 121.8(5) 1_555 1_555 1_555 yes
C(58) C(57) H(37) 119.1(5) 1_555 1_555 1_555 no
C(67) C(57) H(37) 119.1(5) 1_555 1_555 1_555 no
C(57) C(58) C(59) 121.2(5) 1_555 1_555 1_555 yes
C(57) C(58) H(38) 119.5(6) 1_555 1_555 1_555 no
C(59) C(58) H(38) 119.4(6) 1_555 1_555 1_555 no
C(58) C(59) C(60) 119.5(5) 1_555 1_555 1_555 yes
C(58) C(59) H(39) 120.0(6) 1_555 1_555 1_555 no
C(60) C(59) H(39) 120.5(6) 1_555 1_555 1_555 no
C(59) C(60) C(68) 121.1(5) 1_555 1_555 1_555 yes
C(59) C(60) H(40) 119.4(6) 1_555 1_555 1_555 no
C(68) C(60) H(40) 119.5(6) 1_555 1_555 1_555 no
C(62) C(61) C(69) 121.0(5) 1_555 1_555 1_555 yes
C(62) C(61) H(41) 119.4(6) 1_555 1_555 1_555 no
C(69) C(61) H(41) 119.6(6) 1_555 1_555 1_555 no
C(61) C(62) C(63) 120.1(5) 1_555 1_555 1_555 yes
C(61) C(62) H(42) 119.9(7) 1_555 1_555 1_555 no
C(63) C(62) H(42) 120.1(7) 1_555 1_555 1_555 no
C(62) C(63) C(64) 120.5(6) 1_555 1_555 1_555 yes
C(62) C(63) H(43) 119.8(6) 1_555 1_555 1_555 no
C(64) C(63) H(43) 119.7(6) 1_555 1_555 1_555 no
C(63) C(64) C(70) 122.6(5) 1_555 1_555 1_555 yes
C(63) C(64) H(44) 118.7(6) 1_555 1_555 1_555 no
C(70) C(64) H(44) 118.6(5) 1_555 1_555 1_555 no
C(67) C(65) C(70) 116.5(4) 1_555 1_555 1_555 yes
C(67) C(65) B(2) 118.1(4) 1_555 1_555 1_555 yes
C(70) C(65) B(2) 125.0(4) 1_555 1_555 1_555 yes
C(68) C(66) C(69) 119.9(5) 1_555 1_555 1_555 yes
C(68) C(66) H(45) 120.0(6) 1_555 1_555 1_555 no
C(69) C(66) H(45) 120.1(5) 1_555 1_555 1_555 no
C(57) C(67) C(65) 122.2(4) 1_555 1_555 1_555 yes
C(57) C(67) C(68) 116.1(5) 1_555 1_555 1_555 yes
C(65) C(67) C(68) 121.6(5) 1_555 1_555 1_555 yes
C(60) C(68) C(66) 119.9(5) 1_555 1_555 1_555 yes
C(60) C(68) C(67) 120.3(5) 1_555 1_555 1_555 yes
C(66) C(68) C(67) 119.8(5) 1_555 1_555 1_555 yes
C(61) C(69) C(66) 119.8(5) 1_555 1_555 1_555 yes
C(61) C(69) C(70) 119.4(5) 1_555 1_555 1_555 yes
C(66) C(69) C(70) 120.7(5) 1_555 1_555 1_555 yes
C(64) C(70) C(65) 122.9(4) 1_555 1_555 1_555 yes
C(64) C(70) C(69) 116.2(4) 1_555 1_555 1_555 yes
C(65) C(70) C(69) 120.8(5) 1_555 1_555 1_555 yes
C(72) C(71) C(81) 122.8(5) 1_555 1_555 1_555 yes
C(72) C(71) H(46) 118.7(5) 1_555 1_555 1_555 no
C(81) C(71) H(46) 118.5(4) 1_555 1_555 1_555 no
C(71) C(72) C(73) 120.2(5) 1_555 1_555 1_555 yes
C(71) C(72) H(47) 120.0(6) 1_555 1_555 1_555 no
C(73) C(72) H(47) 119.8(5) 1_555 1_555 1_555 no
C(72) C(73) C(74) 119.5(5) 1_555 1_555 1_555 yes
C(72) C(73) H(48) 120.2(6) 1_555 1_555 1_555 no
C(74) C(73) H(48) 120.3(6) 1_555 1_555 1_555 no
C(73) C(74) C(82) 121.7(5) 1_555 1_555 1_555 yes
C(73) C(74) H(49) 119.1(5) 1_555 1_555 1_555 no
C(82) C(74) H(49) 119.2(6) 1_555 1_555 1_555 no
C(76) C(75) C(83) 121.1(5) 1_555 1_555 1_555 yes
C(76) C(75) H(50) 119.4(6) 1_555 1_555 1_555 no
C(83) C(75) H(50) 119.5(6) 1_555 1_555 1_555 no
C(75) C(76) C(77) 119.8(5) 1_555 1_555 1_555 yes
C(75) C(76) H(51) 120.1(6) 1_555 1_555 1_555 no
C(77) C(76) H(51) 120.1(6) 1_555 1_555 1_555 no
C(76) C(77) C(78) 120.8(5) 1_555 1_555 1_555 yes
C(76) C(77) H(52) 119.6(5) 1_555 1_555 1_555 no
C(78) C(77) H(52) 119.5(6) 1_555 1_555 1_555 no
C(77) C(78) C(84) 121.7(5) 1_555 1_555 1_555 yes
C(77) C(78) H(53) 119.0(5) 1_555 1_555 1_555 no
C(84) C(78) H(53) 119.2(4) 1_555 1_555 1_555 no
C(81) C(79) C(84) 116.3(4) 1_555 1_555 1_555 yes
C(81) C(79) B(2) 118.6(4) 1_555 1_555 1_555 yes
C(84) C(79) B(2) 124.9(4) 1_555 1_555 1_555 yes
C(82) C(80) C(83) 121.6(4) 1_555 1_555 1_555 yes
C(82) C(80) H(54) 119.2(5) 1_555 1_555 1_555 no
C(83) C(80) H(54) 119.2(5) 1_555 1_555 1_555 no
C(71) C(81) C(79) 122.4(4) 1_555 1_555 1_555 yes
C(71) C(81) C(82) 116.2(4) 1_555 1_555 1_555 yes
C(79) C(81) C(82) 121.4(4) 1_555 1_555 1_555 yes
C(74) C(82) C(80) 121.2(5) 1_555 1_555 1_555 yes
C(74) C(82) C(81) 119.7(5) 1_555 1_555 1_555 yes
C(80) C(82) C(81) 119.0(4) 1_555 1_555 1_555 yes
C(75) C(83) C(80) 120.4(5) 1_555 1_555 1_555 yes
C(75) C(83) C(84) 120.0(5) 1_555 1_555 1_555 yes
C(80) C(83) C(84) 119.5(4) 1_555 1_555 1_555 yes
C(78) C(84) C(79) 122.0(4) 1_555 1_555 1_555 yes
C(78) C(84) C(83) 116.5(4) 1_555 1_555 1_555 yes
C(79) C(84) C(83) 121.4(4) 1_555 1_555 1_555 yes
N(1) C(85) C(86) 114.2(4) 1_555 1_555 1_555 yes
N(1) C(85) H(55) 108.1(5) 1_555 1_555 1_555 no
N(1) C(85) H(56) 108.2(5) 1_555 1_555 1_555 no
C(86) C(85) H(55) 108.3(5) 1_555 1_555 1_555 no
C(86) C(85) H(56) 108.4(5) 1_555 1_555 1_555 no
H(55) C(85) H(56) 109.6(5) 1_555 1_555 1_555 no
O(1) C(86) C(85) 110.1(4) 1_555 1_555 1_555 yes
O(1) C(86) H(57) 109.4(5) 1_555 1_555 1_555 no
O(1) C(86) H(58) 109.3(5) 1_555 1_555 1_555 no
C(85) C(86) H(57) 109.4(5) 1_555 1_555 1_555 no
C(85) C(86) H(58) 109.2(5) 1_555 1_555 1_555 no
H(57) C(86) H(58) 109.5(5) 1_555 1_555 1_555 no
O(1) C(87) C(88) 110.1(4) 1_555 1_555 1_555 yes
O(1) C(87) H(59) 109.3(4) 1_555 1_555 1_555 no
O(1) C(87) H(60) 109.3(5) 1_555 1_555 1_555 no
C(88) C(87) H(59) 109.3(5) 1_555 1_555 1_555 no
C(88) C(87) H(60) 109.4(5) 1_555 1_555 1_555 no
H(59) C(87) H(60) 109.5(5) 1_555 1_555 1_555 no
O(2) C(88) C(87) 109.7(4) 1_555 1_555 1_555 yes
O(2) C(88) H(61) 109.5(5) 1_555 1_555 1_555 no
O(2) C(88) H(62) 109.5(5) 1_555 1_555 1_555 no
C(87) C(88) H(61) 109.3(5) 1_555 1_555 1_555 no
C(87) C(88) H(62) 109.3(5) 1_555 1_555 1_555 no
H(61) C(88) H(62) 109.4(5) 1_555 1_555 1_555 no
O(2) C(89) C(90) 109.3(4) 1_555 1_555 1_555 yes
O(2) C(89) H(63) 109.6(5) 1_555 1_555 1_555 no
O(2) C(89) H(64) 109.6(5) 1_555 1_555 1_555 no
C(90) C(89) H(63) 109.5(5) 1_555 1_555 1_555 no
C(90) C(89) H(64) 109.4(5) 1_555 1_555 1_555 no
H(63) C(89) H(64) 109.5(5) 1_555 1_555 1_555 no
N(1) C(90) C(89) 113.3(4) 2_755 1_555 1_555 yes
N(1) C(91) C(92) 115.2(4) 1_555 1_555 1_555 yes
N(1) C(91) H(65) 108.2(5) 1_555 1_555 1_555 no
N(1) C(91) H(66) 108.1(5) 1_555 1_555 1_555 no
C(92) C(91) H(65) 107.9(5) 1_555 1_555 1_555 no
C(92) C(91) H(66) 107.9(5) 1_555 1_555 1_555 no
H(65) C(91) H(66) 109.4(5) 1_555 1_555 1_555 no
O(3) C(92) C(91) 109.9(4) 1_555 1_555 1_555 yes
O(3) C(92) H(67) 109.3(5) 1_555 1_555 1_555 no
O(3) C(92) H(68) 109.3(5) 1_555 1_555 1_555 no
C(91) C(92) H(67) 109.4(5) 1_555 1_555 1_555 no
C(91) C(92) H(68) 109.5(5) 1_555 1_555 1_555 no
H(67) C(92) H(68) 109.4(5) 1_555 1_555 1_555 no
O(3) C(93) C(93) 109.3(3) 1_555 1_555 2_755 yes
O(3) C(93) H(69) 105.5(4) 1_555 1_555 1_555 no
O(3) C(93) H(70) 109.1(5) 1_555 1_555 1_555 no
C(93) C(93) H(69) 114.9(7) 2_755 1_555 1_555 no
C(93) C(93) H(70) 107.7(4) 2_755 1_555 1_555 no
H(69) C(93) H(70) 110.2(4) 1_555 1_555 1_555 no
N(2) C(94) C(95) 114.2(4) 1_555 1_555 1_555 yes
N(2) C(94) H(71) 108.4(5) 1_555 1_555 1_555 no
N(2) C(94) H(72) 108.3(5) 1_555 1_555 1_555 no
C(95) C(94) H(71) 108.3(5) 1_555 1_555 1_555 no
C(95) C(94) H(72) 108.2(5) 1_555 1_555 1_555 no
H(71) C(94) H(72) 109.5(5) 1_555 1_555 1_555 no
O(4) C(95) C(94) 109.9(4) 1_555 1_555 1_555 yes
O(4) C(95) H(73) 109.3(5) 1_555 1_555 1_555 no
O(4) C(95) H(74) 109.4(5) 1_555 1_555 1_555 no
C(94) C(95) H(73) 109.4(5) 1_555 1_555 1_555 no
C(94) C(95) H(74) 109.4(5) 1_555 1_555 1_555 no
H(73) C(95) H(74) 109.4(5) 1_555 1_555 1_555 no
O(4) C(96) C(97) 110.2(4) 1_555 1_555 1_555 yes
O(4) C(96) H(75) 109.2(4) 1_555 1_555 1_555 no
O(4) C(96) H(76) 109.3(5) 1_555 1_555 1_555 no
C(97) C(96) H(75) 109.3(5) 1_555 1_555 1_555 no
C(97) C(96) H(76) 109.3(5) 1_555 1_555 1_555 no
H(75) C(96) H(76) 109.5(5) 1_555 1_555 1_555 no
O(5) C(97) C(96) 110.1(4) 1_555 1_555 1_555 yes
O(5) C(97) H(77) 109.3(5) 1_555 1_555 1_555 no
O(5) C(97) H(78) 109.2(5) 1_555 1_555 1_555 no
C(96) C(97) H(77) 109.5(5) 1_555 1_555 1_555 no
C(96) C(97) H(78) 109.3(5) 1_555 1_555 1_555 no
H(77) C(97) H(78) 109.4(5) 1_555 1_555 1_555 no
O(5) C(98) C(99) 110.2(4) 1_555 1_555 1_555 yes
O(5) C(98) H(79) 109.3(5) 1_555 1_555 1_555 no
O(5) C(98) H(80) 109.3(5) 1_555 1_555 1_555 no
C(99) C(98) H(79) 109.2(5) 1_555 1_555 1_555 no
C(99) C(98) H(80) 109.3(5) 1_555 1_555 1_555 no
H(79) C(98) H(80) 109.5(5) 1_555 1_555 1_555 no
N(2) C(99) C(98) 114.5(4) 2_655 1_555 1_555 yes
N(2) C(99) H(81) 113.7(5) 2_655 1_555 1_555 no
N(2) C(99) H(82) 119.6(5) 2_655 1_555 1_555 no
C(98) C(99) H(81) 102.1(5) 1_555 1_555 1_555 no
C(98) C(99) H(82) 103.7(4) 1_555 1_555 1_555 no
H(81) C(99) H(82) 100.9(4) 1_555 1_555 1_555 no
N(2) C(100) C(101) 114.3(4) 1_555 1_555 1_555 yes
N(2) C(100) H(83) 108.2(5) 1_555 1_555 1_555 no
N(2) C(100) H(84) 108.2(5) 1_555 1_555 1_555 no
C(101) C(100) H(83) 108.3(5) 1_555 1_555 1_555 no
C(101) C(100) H(84) 108.3(5) 1_555 1_555 1_555 no
H(83) C(100) H(84) 109.4(5) 1_555 1_555 1_555 no
O(6) C(101) C(100) 108.9(4) 1_555 1_555 1_555 yes
O(6) C(101) H(85) 109.7(5) 1_555 1_555 1_555 no
O(6) C(101) H(86) 109.6(5) 1_555 1_555 1_555 no
C(100) C(101) H(85) 109.6(5) 1_555 1_555 1_555 no
C(100) C(101) H(86) 109.6(5) 1_555 1_555 1_555 no
H(85) C(101) H(86) 109.5(5) 1_555 1_555 1_555 no
O(6) C(102) C(102) 109.7(3) 1_555 1_555 2_655 yes
O(6) C(102) H(87) 108.5(4) 1_555 1_555 1_555 no
O(6) C(102) H(88) 117.8(5) 1_555 1_555 1_555 no
C(102) C(102) H(87) 114.0(6) 2_655 1_555 1_555 no
C(102) C(102) H(88) 109.9(3) 2_655 1_555 1_555 no
H(87) C(102) H(88) 96.6(4) 1_555 1_555 1_555 no
N(3) C(103) C(104) 114.6(4) 1_555 1_555 1_555 yes
N(3) C(103) H(89) 108.0(5) 1_555 1_555 1_555 no
N(3) C(103) H(90) 108.2(5) 1_555 1_555 1_555 no
C(104) C(103) H(89) 108.1(5) 1_555 1_555 1_555 no
C(104) C(103) H(90) 108.2(6) 1_555 1_555 1_555 no
H(89) C(103) H(90) 109.6(5) 1_555 1_555 1_555 no
O(7) C(104) C(103) 107.7(5) 1_555 1_555 1_555 yes
O(7) C(104) H(91) 110.0(5) 1_555 1_555 1_555 no
O(7) C(104) H(92) 110.0(5) 1_555 1_555 1_555 no
C(103) C(104) H(91) 109.8(6) 1_555 1_555 1_555 no
C(103) C(104) H(92) 109.8(5) 1_555 1_555 1_555 no
H(91) C(104) H(92) 109.6(6) 1_555 1_555 1_555 no
O(7) C(105) C(106) 109.7(5) 1_555 1_555 1_555 yes
O(7) C(105) H(93) 109.6(6) 1_555 1_555 1_555 no
O(7) C(105) H(94) 109.3(6) 1_555 1_555 1_555 no
C(106) C(105) H(93) 109.5(6) 1_555 1_555 1_555 no
C(106) C(105) H(94) 109.2(6) 1_555 1_555 1_555 no
H(93) C(105) H(94) 109.6(6) 1_555 1_555 1_555 no
O(8) C(106) C(105) 110.9(5) 1_555 1_555 1_555 yes
O(8) C(106) H(95) 109.3(5) 1_555 1_555 1_555 no
O(8) C(106) H(96) 109.1(5) 1_555 1_555 1_555 no
C(105) C(106) H(95) 109.1(6) 1_555 1_555 1_555 no
C(105) C(106) H(96) 109.0(5) 1_555 1_555 1_555 no
H(95) C(106) H(96) 109.5(6) 1_555 1_555 1_555 no
O(8) C(107) C(108) 109.8(4) 1_555 1_555 1_555 yes
O(8) C(107) H(97) 109.3(5) 1_555 1_555 1_555 no
O(8) C(107) H(98) 109.6(5) 1_555 1_555 1_555 no
C(108) C(107) H(97) 109.3(6) 1_555 1_555 1_555 no
C(108) C(107) H(98) 109.5(5) 1_555 1_555 1_555 no
H(97) C(107) H(98) 109.4(5) 1_555 1_555 1_555 no
N(3) C(108) C(107) 113.9(5) 2_656 1_555 1_555 yes
N(3) C(108) H(99) 112.8(5) 2_656 1_555 1_555 no
N(3) C(108) H(100) 114.1(5) 2_656 1_555 1_555 no
C(107) C(108) H(99) 112.2(5) 1_555 1_555 1_555 no
C(107) C(108) H(100) 105.5(5) 1_555 1_555 1_555 no
H(99) C(108) H(100) 97.0(5) 1_555 1_555 1_555 no
N(3) C(109) C(110) 114.0(5) 1_555 1_555 1_555 yes
N(3) C(109) H(101) 108.3(5) 1_555 1_555 1_555 no
N(3) C(109) H(102) 108.4(6) 1_555 1_555 1_555 no
C(110) C(109) H(101) 108.4(6) 1_555 1_555 1_555 no
C(110) C(109) H(102) 108.5(5) 1_555 1_555 1_555 no
H(101) C(109) H(102) 109.3(6) 1_555 1_555 1_555 no
O(9) C(110) C(109) 110.2(4) 1_555 1_555 1_555 yes
O(9) C(110) H(103) 109.3(6) 1_555 1_555 1_555 no
O(9) C(110) H(104) 109.3(5) 1_555 1_555 1_555 no
C(109) C(110) H(103) 109.2(6) 1_555 1_555 1_555 no
C(109) C(110) H(104) 109.4(6) 1_555 1_555 1_555 no
H(103) C(110) H(104) 109.4(5) 1_555 1_555 1_555 no
O(9) C(111) C(111) 108.9(4) 1_555 1_555 2_656 yes
O(9) C(111) H(105) 113.4(5) 1_555 1_555 1_555 no
O(9) C(111) H(106) 118.3(6) 1_555 1_555 1_555 no
C(111) C(111) H(105) 91.8(5) 2_656 1_555 1_555 no
C(111) C(111) H(106) 11.3(4) 2_656 1_555 1_555 no
H(105) C(111) H(106) 93.2(5) 1_555 1_555 1_555 no
N(4) C(112) C(113) 112.4(5) 1_555 1_555 1_555 yes
N(4) C(112) H(107) 108.9(6) 1_555 1_555 1_555 no
N(4) C(112) H(108) 108.9(5) 1_555 1_555 1_555 no
C(113) C(112) H(107) 108.7(6) 1_555 1_555 1_555 no
C(113) C(112) H(108) 108.7(6) 1_555 1_555 1_555 no
H(107) C(112) H(108) 109.3(7) 1_555 1_555 1_555 no
O(10) C(113) C(112) 110.2(5) 1_555 1_555 1_555 yes
O(10) C(113) H(109) 109.1(6) 1_555 1_555 1_555 no
O(10) C(113) H(110) 109.5(6) 1_555 1_555 1_555 no
C(112) C(113) H(109) 109.2(6) 1_555 1_555 1_555 no
C(112) C(113) H(110) 109.6(6) 1_555 1_555 1_555 no
H(109) C(113) H(110) 109.4(6) 1_555 1_555 1_555 no
O(10) C(114) C(115) 110.6(5) 1_555 1_555 1_555 yes
O(10) C(114) H(111) 109.1(7) 1_555 1_555 1_555 no
O(10) C(114) H(112) 109.2(7) 1_555 1_555 1_555 no
C(115) C(114) H(111) 109.3(7) 1_555 1_555 1_555 no
C(115) C(114) H(112) 109.3(7) 1_555 1_555 1_555 no
H(111) C(114) H(112) 109.3(7) 1_555 1_555 1_555 no
O(11) C(115) C(114) 108.7(6) 1_555 1_555 1_555 yes
O(11) C(115) H(113) 109.5(6) 1_555 1_555 1_555 no
O(11) C(115) H(114) 109.7(6) 1_555 1_555 1_555 no
C(114) C(115) H(113) 109.9(6) 1_555 1_555 1_555 no
C(114) C(115) H(114) 109.9(7) 1_555 1_555 1_555 no
H(113) C(115) H(114) 109.2(7) 1_555 1_555 1_555 no
O(11) C(116) C(117) 109.4(6) 1_555 1_555 1_555 yes
O(11) C(116) H(115) 109.6(6) 1_555 1_555 1_555 no
O(11) C(116) H(116) 109.6(6) 1_555 1_555 1_555 no
C(117) C(116) H(115) 109.5(6) 1_555 1_555 1_555 no
C(117) C(116) H(116) 109.3(6) 1_555 1_555 1_555 no
H(115) C(116) H(116) 109.4(7) 1_555 1_555 1_555 no
N(4) C(117) C(116) 113.4(5) 2_756 1_555 1_555 yes
N(4) C(118) C(119) 115.1(5) 1_555 1_555 1_555 yes
N(4) C(118) H(117) 108.0(6) 1_555 1_555 1_555 no
N(4) C(118) H(118) 108.1(7) 1_555 1_555 1_555 no
C(119) C(118) H(117) 107.9(7) 1_555 1_555 1_555 no
C(119) C(118) H(118) 108.1(6) 1_555 1_555 1_555 no
H(117) C(118) H(118) 109.5(6) 1_555 1_555 1_555 no
O(12) C(119) C(118) 109.9(5) 1_555 1_555 1_555 yes
O(12) C(119) H(119) 109.5(7) 1_555 1_555 1_555 no
O(12) C(119) H(120) 109.6(7) 1_555 1_555 1_555 no
C(118) C(119) H(119) 109.2(7) 1_555 1_555 1_555 no
C(118) C(119) H(120) 109.2(7) 1_555 1_555 1_555 no
H(119) C(119) H(120) 109.4(6) 1_555 1_555 1_555 no
O(12) C(120) C(120) 108.0(6) 1_555 1_555 2_756 yes
O(13) C(122) C(121) 120(1) 1_555 1_555 1_555 yes
O(13) C(122) C(123) 120(1) 1_555 1_555 1_555 yes
C(121) C(122) C(123) 118(1) 1_555 1_555 1_555 yes
O(15) C(124) C(125) 42.6(9) 1_555 1_555 1_555 yes
O(15) C(124) C(127) 91(1) 1_555 1_555 1_555 yes
C(125) C(124) C(127) 50(1) 1_555 1_555 1_555 yes
O(14) C(125) O(15) 46(1) 1_555 1_555 1_555 yes
O(14) C(125) C(124) 120(1) 1_555 1_555 1_555 yes
O(14) C(125) C(126) 136(1) 1_555 1_555 1_555 yes
O(14) C(125) C(127) 174(1) 1_555 1_555 1_555 yes
O(14) C(125) C(128) 67(1) 1_555 1_555 1_555 yes
O(15) C(125) C(124) 77(1) 1_555 1_555 1_555 yes
O(15) C(125) C(126) 168(1) 1_555 1_555 1_555 yes
O(15) C(125) C(127) 139(1) 1_555 1_555 1_555 yes
O(15) C(125) C(128) 109(1) 1_555 1_555 1_555 yes
C(124) C(125) C(126) 102(1) 1_555 1_555 1_555 yes
C(124) C(125) C(127) 65(1) 1_555 1_555 1_555 yes
C(124) C(125) C(128) 171(1) 1_555 1_555 1_555 yes
C(126) C(125) C(127) 37(1) 1_555 1_555 1_555 yes
C(126) C(125) C(128) 69(1) 1_555 1_555 1_555 yes
C(127) C(125) C(128) 106(1) 1_555 1_555 1_555 yes
C(125) C(126) C(127) 61(2) 1_555 1_555 1_555 yes
C(125) C(126) C(128) 57(1) 1_555 1_555 1_555 yes
C(127) C(126) C(128) 117(2) 1_555 1_555 1_555 yes
C(124) C(127) C(125) 64(1) 1_555 1_555 1_555 yes
C(124) C(127) C(126) 144(2) 1_555 1_555 1_555 yes
C(125) C(127) C(126) 81(2) 1_555 1_555 1_555 yes
O(14) C(128) C(125) 40.0(8) 1_555 1_555 1_555 yes
O(14) C(128) C(126) 92(1) 1_555 1_555 1_555 yes
C(125) C(128) C(126) 52(1) 1_555 1_555 1_555 yes
F(1) B(1) C(9) 103.9(4) 1_555 1_555 1_555 yes
F(1) B(1) C(23) 102.8(4) 1_555 1_555 1_555 yes
F(1) B(1) C(37) 102.4(3) 1_555 1_555 1_555 yes
C(9) B(1) C(23) 114.4(3) 1_555 1_555 1_555 yes
C(9) B(1) C(37) 115.0(4) 1_555 1_555 1_555 yes
C(23) B(1) C(37) 115.8(4) 1_555 1_555 1_555 yes
F(2) B(2) C(51) 103.7(3) 1_555 1_555 1_555 yes
F(2) B(2) C(65) 103.7(4) 1_555 1_555 1_555 yes
F(2) B(2) C(79) 102.6(4) 1_555 1_555 1_555 yes
C(51) B(2) C(65) 114.6(4) 1_555 1_555 1_555 yes
C(51) B(2) C(79) 115.6(4) 1_555 1_555 1_555 yes
C(65) B(2) C(79) 114.4(3) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
K(1) O(1) 2.813(4) 1_555 1_555 yes
K(1) O(1) 2.813(4) 1_555 2_755 yes
K(1) O(2) 2.770(3) 1_555 1_555 yes
K(1) O(2) 2.770(3) 1_555 2_755 yes
K(1) O(3) 2.801(4) 1_555 1_555 yes
K(1) O(3) 2.801(4) 1_555 2_755 yes
K(1) N(1) 2.890(4) 1_555 1_555 yes
K(1) N(1) 2.890(4) 1_555 2_755 yes
K(2) O(4) 2.779(4) 1_555 1_555 yes
K(2) O(4) 2.779(4) 1_555 2_655 yes
K(2) O(5) 2.827(3) 1_555 1_555 yes
K(2) O(5) 2.827(3) 1_555 2_655 yes
K(2) O(6) 2.796(3) 1_555 1_555 yes
K(2) O(6) 2.796(3) 1_555 2_655 yes
K(2) N(2) 2.889(4) 1_555 1_555 yes
K(2) N(2) 2.889(4) 1_555 2_655 yes
K(3) O(7) 2.782(4) 1_555 1_555 yes
K(3) O(7) 2.782(4) 1_555 2_656 yes
K(3) O(8) 2.830(4) 1_555 1_555 yes
K(3) O(8) 2.830(4) 1_555 2_656 yes
K(3) O(9) 2.811(4) 1_555 1_555 yes
K(3) O(9) 2.811(4) 1_555 2_656 yes
K(3) N(3) 2.961(4) 1_555 1_555 yes
K(3) N(3) 2.961(4) 1_555 2_656 yes
K(4) O(10) 2.784(4) 1_555 1_555 yes
K(4) O(10) 2.784(4) 1_555 2_756 yes
K(4) O(11) 2.798(4) 1_555 1_555 yes
K(4) O(11) 2.798(4) 1_555 2_756 yes
K(4) O(12) 2.798(4) 1_555 1_555 yes
K(4) O(12) 2.798(4) 1_555 2_756 yes
K(4) N(4) 3.019(5) 1_555 1_555 yes
K(4) N(4) 3.019(5) 1_555 2_756 yes
F(1) B(1) 1.466(5) 1_555 1_555 yes
F(2) B(2) 1.462(5) 1_555 1_555 yes
O(1) C(86) 1.410(6) 1_555 1_555 yes
O(1) C(87) 1.416(6) 1_555 1_555 yes
O(2) C(88) 1.413(6) 1_555 1_555 yes
O(2) C(89) 1.431(6) 1_555 1_555 yes
O(3) C(92) 1.428(6) 1_555 1_555 yes
O(3) C(93) 1.437(6) 1_555 1_555 yes
O(4) C(95) 1.411(7) 1_555 1_555 yes
O(4) C(96) 1.421(6) 1_555 1_555 yes
O(5) C(97) 1.405(6) 1_555 1_555 yes
O(5) C(98) 1.421(6) 1_555 1_555 yes
O(6) C(101) 1.419(6) 1_555 1_555 yes
O(6) C(102) 1.413(6) 1_555 1_555 yes
O(7) C(104) 1.421(7) 1_555 1_555 yes
O(7) C(105) 1.406(7) 1_555 1_555 yes
O(8) C(106) 1.420(6) 1_555 1_555 yes
O(8) C(107) 1.429(7) 1_555 1_555 yes
O(9) C(110) 1.409(7) 1_555 1_555 yes
O(9) C(111) 1.407(7) 1_555 1_555 yes
O(10) C(113) 1.379(8) 1_555 1_555 yes
O(10) C(114) 1.420(7) 1_555 1_555 yes
O(11) C(115) 1.411(8) 1_555 1_555 yes
O(11) C(116) 1.417(8) 1_555 1_555 yes
O(12) C(119) 1.378(9) 1_555 1_555 yes
O(12) C(120) 1.406(9) 1_555 1_555 yes
O(13) C(122) 1.15(2) 1_555 1_555 yes
O(14) O(15) 0.92(2) 1_555 1_555 yes
O(14) C(125) 1.09(2) 1_555 1_555 yes
O(14) C(128) 1.56(3) 1_555 1_555 yes
O(15) C(124) 1.78(3) 1_555 1_555 yes
O(15) C(125) 1.23(2) 1_555 1_555 yes
N(1) C(85) 1.459(7) 1_555 1_555 yes
N(1) C(90) 1.489(6) 1_555 2_755 yes
N(1) C(91) 1.467(7) 1_555 1_555 yes
N(2) C(94) 1.471(7) 1_555 1_555 yes
N(2) C(99) 1.461(6) 1_555 2_655 yes
N(2) C(100) 1.466(7) 1_555 1_555 yes
N(3) C(103) 1.457(6) 1_555 1_555 yes
N(3) C(108) 1.482(7) 1_555 2_656 yes
N(3) C(109) 1.470(7) 1_555 1_555 yes
N(4) C(112) 1.474(7) 1_555 1_555 yes
N(4) C(117) 1.466(7) 1_555 2_756 yes
N(4) C(118) 1.453(9) 1_555 1_555 yes
C(1) C(2) 1.349(7) 1_555 1_555 yes
C(1) C(11) 1.441(8) 1_555 1_555 yes
C(2) C(3) 1.42(1) 1_555 1_555 yes
C(3) C(4) 1.34(1) 1_555 1_555 yes
C(4) C(12) 1.433(8) 1_555 1_555 yes
C(5) C(6) 1.34(1) 1_555 1_555 yes
C(5) C(13) 1.432(8) 1_555 1_555 yes
C(6) C(7) 1.43(1) 1_555 1_555 yes
C(7) C(8) 1.354(8) 1_555 1_555 yes
C(8) C(14) 1.408(8) 1_555 1_555 yes
C(9) C(11) 1.418(6) 1_555 1_555 yes
C(9) C(14) 1.431(7) 1_555 1_555 yes
C(9) B(1) 1.669(7) 1_555 1_555 yes
C(10) C(12) 1.375(9) 1_555 1_555 yes
C(10) C(13) 1.383(9) 1_555 1_555 yes
C(11) C(12) 1.441(7) 1_555 1_555 yes
C(13) C(14) 1.441(7) 1_555 1_555 yes
C(15) C(16) 1.356(7) 1_555 1_555 yes
C(15) C(25) 1.439(7) 1_555 1_555 yes
C(16) C(17) 1.414(9) 1_555 1_555 yes
C(17) C(18) 1.348(9) 1_555 1_555 yes
C(18) C(26) 1.427(8) 1_555 1_555 yes
C(19) C(20) 1.33(1) 1_555 1_555 yes
C(19) C(27) 1.428(8) 1_555 1_555 yes
C(20) C(21) 1.43(1) 1_555 1_555 yes
C(21) C(22) 1.368(7) 1_555 1_555 yes
C(22) C(28) 1.435(8) 1_555 1_555 yes
C(23) C(25) 1.416(7) 1_555 1_555 yes
C(23) C(28) 1.434(6) 1_555 1_555 yes
C(23) B(1) 1.677(7) 1_555 1_555 yes
C(24) C(26) 1.376(8) 1_555 1_555 yes
C(24) C(27) 1.393(9) 1_555 1_555 yes
C(25) C(26) 1.450(7) 1_555 1_555 yes
C(27) C(28) 1.431(7) 1_555 1_555 yes
C(29) C(30) 1.381(7) 1_555 1_555 yes
C(29) C(39) 1.433(7) 1_555 1_555 yes
C(30) C(31) 1.412(8) 1_555 1_555 yes
C(31) C(32) 1.355(9) 1_555 1_555 yes
C(32) C(40) 1.419(7) 1_555 1_555 yes
C(33) C(34) 1.359(8) 1_555 1_555 yes
C(33) C(41) 1.419(7) 1_555 1_555 yes
C(34) C(35) 1.416(8) 1_555 1_555 yes
C(35) C(36) 1.349(7) 1_555 1_555 yes
C(36) C(42) 1.427(6) 1_555 1_555 yes
C(37) C(39) 1.424(6) 1_555 1_555 yes
C(37) C(42) 1.416(6) 1_555 1_555 yes
C(37) B(1) 1.675(6) 1_555 1_555 yes
C(38) C(40) 1.395(7) 1_555 1_555 yes
C(38) C(41) 1.372(7) 1_555 1_555 yes
C(39) C(40) 1.440(6) 1_555 1_555 yes
C(41) C(42) 1.454(6) 1_555 1_555 yes
C(43) C(44) 1.368(8) 1_555 1_555 yes
C(43) C(53) 1.428(8) 1_555 1_555 yes
C(44) C(45) 1.425(10) 1_555 1_555 yes
C(45) C(46) 1.34(1) 1_555 1_555 yes
C(46) C(54) 1.440(8) 1_555 1_555 yes
C(47) C(48) 1.37(1) 1_555 1_555 yes
C(47) C(55) 1.422(9) 1_555 1_555 yes
C(48) C(49) 1.397(9) 1_555 1_555 yes
C(49) C(50) 1.360(8) 1_555 1_555 yes
C(50) C(56) 1.417(8) 1_555 1_555 yes
C(51) C(53) 1.423(6) 1_555 1_555 yes
C(51) C(56) 1.426(7) 1_555 1_555 yes
C(51) B(2) 1.669(7) 1_555 1_555 yes
C(52) C(54) 1.381(9) 1_555 1_555 yes
C(52) C(55) 1.378(8) 1_555 1_555 yes
C(53) C(54) 1.435(7) 1_555 1_555 yes
C(55) C(56) 1.453(6) 1_555 1_555 yes
C(57) C(58) 1.362(7) 1_555 1_555 yes
C(57) C(67) 1.438(7) 1_555 1_555 yes
C(58) C(59) 1.418(9) 1_555 1_555 yes
C(59) C(60) 1.358(9) 1_555 1_555 yes
C(60) C(68) 1.425(7) 1_555 1_555 yes
C(61) C(62) 1.345(10) 1_555 1_555 yes
C(61) C(69) 1.436(8) 1_555 1_555 yes
C(62) C(63) 1.414(9) 1_555 1_555 yes
C(63) C(64) 1.350(8) 1_555 1_555 yes
C(64) C(70) 1.425(8) 1_555 1_555 yes
C(65) C(67) 1.421(7) 1_555 1_555 yes
C(65) C(70) 1.419(7) 1_555 1_555 yes
C(65) B(2) 1.675(7) 1_555 1_555 yes
C(66) C(68) 1.391(8) 1_555 1_555 yes
C(66) C(69) 1.386(8) 1_555 1_555 yes
C(67) C(68) 1.440(7) 1_555 1_555 yes
C(69) C(70) 1.441(7) 1_555 1_555 yes
C(71) C(72) 1.371(7) 1_555 1_555 yes
C(71) C(81) 1.431(7) 1_555 1_555 yes
C(72) C(73) 1.414(8) 1_555 1_555 yes
C(73) C(74) 1.374(8) 1_555 1_555 yes
C(74) C(82) 1.420(7) 1_555 1_555 yes
C(75) C(76) 1.357(9) 1_555 1_555 yes
C(75) C(83) 1.426(7) 1_555 1_555 yes
C(76) C(77) 1.409(9) 1_555 1_555 yes
C(77) C(78) 1.372(7) 1_555 1_555 yes
C(78) C(84) 1.427(7) 1_555 1_555 yes
C(79) C(81) 1.425(6) 1_555 1_555 yes
C(79) C(84) 1.424(6) 1_555 1_555 yes
C(79) B(2) 1.684(7) 1_555 1_555 yes
C(80) C(82) 1.385(7) 1_555 1_555 yes
C(80) C(83) 1.378(8) 1_555 1_555 yes
C(81) C(82) 1.445(7) 1_555 1_555 yes
C(83) C(84) 1.438(7) 1_555 1_555 yes
C(85) C(86) 1.500(8) 1_555 1_555 yes
C(87) C(88) 1.491(8) 1_555 1_555 yes
C(89) C(90) 1.504(8) 1_555 1_555 yes
C(91) C(92) 1.487(9) 1_555 1_555 yes
C(93) C(93) 1.49(1) 1_555 2_755 yes
C(94) C(95) 1.520(8) 1_555 1_555 yes
C(96) C(97) 1.492(8) 1_555 1_555 yes
C(98) C(99) 1.501(8) 1_555 1_555 yes
C(100) C(101) 1.519(8) 1_555 1_555 yes
C(102) C(102) 1.501(10) 1_555 2_655 yes
C(103) C(104) 1.531(9) 1_555 1_555 yes
C(105) C(106) 1.460(9) 1_555 1_555 yes
C(107) C(108) 1.512(8) 1_555 1_555 yes
C(109) C(110) 1.500(9) 1_555 1_555 yes
C(111) C(111) 1.55(1) 1_555 2_656 yes
C(112) C(113) 1.524(9) 1_555 1_555 yes
C(114) C(115) 1.48(1) 1_555 1_555 yes
C(116) C(117) 1.523(10) 1_555 1_555 yes
C(118) C(119) 1.51(1) 1_555 1_555 yes
C(120) C(120) 1.57(2) 1_555 2_756 yes
C(121) C(122) 1.58(3) 1_555 1_555 yes
C(122) C(123) 1.44(2) 1_555 1_555 yes
C(124) C(125) 1.58(3) 1_555 1_555 yes
C(124) C(127) 1.59(3) 1_555 1_555 yes
C(125) C(126) 1.52(2) 1_555 1_555 yes
C(125) C(127) 1.35(3) 1_555 1_555 yes
C(125) C(128) 1.61(3) 1_555 1_555 yes
C(126) C(127) 0.94(3) 1_555 1_555 yes
C(126) C(128) 1.80(3) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
K(1) O(1) 2.813(4) 1_555 1_555
K(1) O(1) 2.813(4) 1_555 2_755
K(1) O(2) 2.770(3) 1_555 1_555
K(1) O(2) 2.770(3) 1_555 2_755
K(1) O(3) 2.801(4) 1_555 1_555
K(1) O(3) 2.801(4) 1_555 2_755
K(1) N(1) 2.890(4) 1_555 1_555
K(1) N(1) 2.890(4) 1_555 2_755
K(2) O(4) 2.779(4) 1_555 1_555
K(2) O(4) 2.779(4) 1_555 2_655
K(2) O(5) 2.827(3) 1_555 1_555
K(2) O(5) 2.827(3) 1_555 2_655
K(2) O(6) 2.796(3) 1_555 1_555
K(2) O(6) 2.796(3) 1_555 2_655
K(2) N(2) 2.889(4) 1_555 1_555
K(2) N(2) 2.889(4) 1_555 2_655
K(3) O(7) 2.782(4) 1_555 1_555
K(3) O(7) 2.782(4) 1_555 2_656
K(3) O(8) 2.830(4) 1_555 1_555
K(3) O(8) 2.830(4) 1_555 2_656
K(3) O(9) 2.811(4) 1_555 1_555
K(3) O(9) 2.811(4) 1_555 2_656
K(3) N(3) 2.961(4) 1_555 1_555
K(3) N(3) 2.961(4) 1_555 2_656
K(4) O(10) 2.784(4) 1_555 1_555
K(4) O(10) 2.784(4) 1_555 2_756
K(4) O(11) 2.798(4) 1_555 1_555
K(4) O(11) 2.798(4) 1_555 2_756
K(4) O(12) 2.798(4) 1_555 1_555
K(4) O(12) 2.798(4) 1_555 2_756
K(4) N(4) 3.019(5) 1_555 1_555
K(4) N(4) 3.019(5) 1_555 2_756
K(1) O(2) 2.770(3) 1_555 1_555
K(1) O(2) 2.770(3) 1_555 2_755
K(1) O(3) 2.801(4) 1_555 1_555
K(1) O(3) 2.801(4) 1_555 2_755
K(1) O(1) 2.813(4) 1_555 1_555
K(1) O(1) 2.813(4) 1_555 2_755
K(1) N(1) 2.890(4) 1_555 1_555
K(1) N(1) 2.890(4) 1_555 2_755
K(2) O(4) 2.779(4) 1_555 1_555
K(2) O(4) 2.779(4) 1_555 2_655
K(2) O(6) 2.796(3) 1_555 1_555
K(2) O(6) 2.796(3) 1_555 2_655
K(2) O(5) 2.827(3) 1_555 1_555
K(2) O(5) 2.827(3) 1_555 2_655
K(2) N(2) 2.889(4) 1_555 1_555
K(2) N(2) 2.889(4) 1_555 2_655
K(3) O(7) 2.782(4) 1_555 1_555
K(3) O(7) 2.782(4) 1_555 2_656
K(3) O(9) 2.811(4) 1_555 1_555
K(3) O(9) 2.811(4) 1_555 2_656
K(3) O(8) 2.830(4) 1_555 1_555
K(3) O(8) 2.830(4) 1_555 2_656
K(3) N(3) 2.961(4) 1_555 1_555
K(3) N(3) 2.961(4) 1_555 2_656
K(3) C(106) 3.599(5) 1_555 1_555
K(3) C(106) 3.599(5) 1_555 2_656
K(4) O(10) 2.784(4) 1_555 1_555
K(4) O(10) 2.784(4) 1_555 2_756
K(4) O(12) 2.798(4) 1_555 1_555
K(4) O(12) 2.798(4) 1_555 2_756
K(4) O(11) 2.798(4) 1_555 1_555
K(4) O(11) 2.798(4) 1_555 2_756
K(4) N(4) 3.019(5) 1_555 1_555
K(4) N(4) 3.019(5) 1_555 2_756
K(4) C(115) 3.573(6) 1_555 1_555
K(4) C(115) 3.573(6) 1_555 2_756
F(2) C(127) 3.44(3) 1_555 1_545
O(1) C(49) 3.398(7) 1_555 2_756
O(2) C(21) 3.326(7) 1_555 2_755
O(3) C(63) 3.452(7) 1_555 2_766
O(4) C(35) 3.416(7) 1_555 1_545
O(5) C(77) 3.463(7) 1_555 1_554
O(6) C(7) 3.302(7) 1_555 1_555
O(9) C(58) 3.538(7) 1_555 1_555
O(11) C(72) 3.486(7) 1_555 2_756
O(12) C(3) 3.472(9) 1_555 1_555
O(12) C(2) 3.508(7) 1_555 1_555
O(13) C(120) 3.43(2) 1_555 1_555
O(13) C(45) 3.49(2) 1_555 1_565
O(14) C(16) 3.45(2) 1_555 1_555
O(15) C(17) 3.35(2) 1_555 1_555
O(15) C(111) 3.37(2) 1_555 1_565
O(15) C(16) 3.43(2) 1_555 1_555
C(7) C(101) 3.462(8) 1_555 1_555
C(10) C(89) 3.365(7) 1_555 2_755
C(12) C(89) 3.379(7) 1_555 2_755
C(13) C(89) 3.585(7) 1_555 2_755
C(21) C(89) 3.476(8) 1_555 2_755
C(24) C(95) 3.396(8) 1_555 1_565
C(26) C(95) 3.410(7) 1_555 1_565
C(35) C(95) 3.544(8) 1_555 1_565
C(38) C(101) 3.343(7) 1_555 1_555
C(38) C(106) 3.555(7) 1_555 1_555
C(40) C(101) 3.390(7) 1_555 1_555
C(41) C(101) 3.593(7) 1_555 1_555
C(46) C(115) 3.580(9) 1_555 2_756
C(49) C(86) 3.510(8) 1_555 2_756
C(52) C(92) 3.319(7) 1_555 2_746
C(52) C(114) 3.481(8) 1_555 2_756
C(54) C(92) 3.435(7) 1_555 2_746
C(54) C(114) 3.502(8) 1_555 2_756
C(54) C(115) 3.507(8) 1_555 2_756
C(55) C(92) 3.565(7) 1_555 2_746
C(63) C(92) 3.518(8) 1_555 2_746
C(66) C(98) 3.373(7) 1_555 1_556
C(68) C(98) 3.533(7) 1_555 1_556
C(69) C(98) 3.550(7) 1_555 1_556
C(77) C(98) 3.556(8) 1_555 1_556
C(80) C(86) 3.367(7) 1_555 2_756
C(82) C(86) 3.477(7) 1_555 2_756
C(83) C(86) 3.545(7) 1_555 2_756
C(107) C(126) 3.59(2) 1_555 2_656
C(116) C(124) 3.43(2) 1_555 2_746
C(128) C(128) 2.76(5) 1_555 2_656
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
K(1) O(1) C(86) C(85) 35.2(5) 1_555 1_555 1_555 1_555 yes
K(1) O(1) C(87) C(88) -43.5(5) 1_555 1_555 1_555 1_555 yes
K(1) O(1) C(86) C(85) 35.2(5) 1_555 2_755 2_755 2_755 yes
K(1) O(1) C(87) C(88) -43.5(5) 1_555 2_755 2_755 2_755 yes
K(1) O(2) C(88) C(87) -44.0(5) 1_555 1_555 1_555 1_555 yes
K(1) O(2) C(89) C(90) 35.4(5) 1_555 1_555 1_555 1_555 yes
K(1) O(2) C(88) C(87) -44.0(5) 1_555 2_755 2_755 2_755 yes
K(1) O(2) C(89) C(90) 35.4(5) 1_555 2_755 2_755 2_755 yes
K(1) O(3) C(92) C(91) 34.6(5) 1_555 1_555 1_555 1_555 yes
K(1) O(3) C(93) C(93) -44.4(6) 1_555 1_555 1_555 2_755 yes
K(1) O(3) C(92) C(91) 34.6(5) 1_555 2_755 2_755 2_755 yes
K(1) O(3) C(93) C(93) -44.4(6) 1_555 2_755 2_755 1_555 yes
K(1) N(1) C(85) C(86) 51.4(5) 1_555 1_555 1_555 1_555 yes
K(1) N(1) C(90) C(89) 54.3(5) 1_555 1_555 2_755 2_755 yes
K(1) N(1) C(91) C(92) 51.4(5) 1_555 1_555 1_555 1_555 yes
K(1) N(1) C(85) C(86) 51.4(5) 1_555 2_755 2_755 2_755 yes
K(1) N(1) C(90) C(89) 54.3(5) 1_555 2_755 1_555 1_555 yes
K(1) N(1) C(91) C(92) 51.4(5) 1_555 2_755 2_755 2_755 yes
K(2) O(4) C(95) C(94) 34.8(5) 1_555 1_555 1_555 1_555 yes
K(2) O(4) C(96) C(97) -43.5(5) 1_555 1_555 1_555 1_555 yes
K(2) O(4) C(95) C(94) 34.8(5) 1_555 2_655 2_655 2_655 yes
K(2) O(4) C(96) C(97) -43.5(5) 1_555 2_655 2_655 2_655 yes
K(2) O(5) C(97) C(96) -44.1(5) 1_555 1_555 1_555 1_555 yes
K(2) O(5) C(98) C(99) 36.1(5) 1_555 1_555 1_555 1_555 yes
K(2) O(5) C(97) C(96) -44.1(5) 1_555 2_655 2_655 2_655 yes
K(2) O(5) C(98) C(99) 36.1(5) 1_555 2_655 2_655 2_655 yes
K(2) O(6) C(101) C(100) 34.4(5) 1_555 1_555 1_555 1_555 yes
K(2) O(6) C(102) C(102) -43.5(6) 1_555 1_555 1_555 2_655 yes
K(2) O(6) C(101) C(100) 34.4(5) 1_555 2_655 2_655 2_655 yes
K(2) O(6) C(102) C(102) -43.5(6) 1_555 2_655 2_655 1_555 yes
K(2) N(2) C(94) C(95) 51.4(5) 1_555 1_555 1_555 1_555 yes
K(2) N(2) C(99) C(98) 50.3(5) 1_555 1_555 2_655 2_655 yes
K(2) N(2) C(100) C(101) 52.9(5) 1_555 1_555 1_555 1_555 yes
K(2) N(2) C(94) C(95) 51.4(5) 1_555 2_655 2_655 2_655 yes
K(2) N(2) C(99) C(98) 50.3(5) 1_555 2_655 1_555 1_555 yes
K(2) N(2) C(100) C(101) 52.9(5) 1_555 2_655 2_655 2_655 yes
K(3) O(7) C(104) C(103) 38.9(6) 1_555 1_555 1_555 1_555 yes
K(3) O(7) C(105) C(106) -42.7(6) 1_555 1_555 1_555 1_555 yes
K(3) O(7) C(104) C(103) 38.9(6) 1_555 2_656 2_656 2_656 yes
K(3) O(7) C(105) C(106) -42.7(6) 1_555 2_656 2_656 2_656 yes
K(3) O(8) C(106) C(105) -52.1(5) 1_555 1_555 1_555 1_555 yes
K(3) O(8) C(107) C(108) 40.5(6) 1_555 1_555 1_555 1_555 yes
K(3) O(8) C(106) C(105) -52.1(5) 1_555 2_656 2_656 2_656 yes
K(3) O(8) C(107) C(108) 40.5(6) 1_555 2_656 2_656 2_656 yes
K(3) O(9) C(110) C(109) 39.9(6) 1_555 1_555 1_555 1_555 yes
K(3) O(9) C(111) C(111) -48.4(6) 1_555 1_555 1_555 2_656 yes
K(3) O(9) C(110) C(109) 39.9(6) 1_555 2_656 2_656 2_656 yes
K(3) O(9) C(111) C(111) -48.4(6) 1_555 2_656 2_656 1_555 yes
K(3) N(3) C(103) C(104) 49.2(6) 1_555 1_555 1_555 1_555 yes
K(3) N(3) C(108) C(107) 48.7(5) 1_555 1_555 2_656 2_656 yes
K(3) N(3) C(109) C(110) 47.6(5) 1_555 1_555 1_555 1_555 yes
K(3) N(3) C(103) C(104) 49.2(6) 1_555 2_656 2_656 2_656 yes
K(3) N(3) C(108) C(107) 48.7(5) 1_555 2_656 1_555 1_555 yes
K(3) N(3) C(109) C(110) 47.6(5) 1_555 2_656 2_656 2_656 yes
K(4) O(10) C(113) C(112) -54.5(6) 1_555 1_555 1_555 1_555 yes
K(4) O(10) C(114) C(115) 44.0(7) 1_555 1_555 1_555 1_555 yes
K(4) O(10) C(113) C(112) -54.5(6) 1_555 2_756 2_756 2_756 yes
K(4) O(10) C(114) C(115) 44.0(7) 1_555 2_756 2_756 2_756 yes
K(4) O(11) C(115) C(114) 53.7(6) 1_555 1_555 1_555 1_555 yes
K(4) O(11) C(116) C(117) -40.3(6) 1_555 1_555 1_555 1_555 yes
K(4) O(11) C(115) C(114) 53.7(6) 1_555 2_756 2_756 2_756 yes
K(4) O(11) C(116) C(117) -40.3(6) 1_555 2_756 2_756 2_756 yes
K(4) O(12) C(119) C(118) -42.0(7) 1_555 1_555 1_555 1_555 yes
K(4) O(12) C(120) C(120) 47.5(9) 1_555 1_555 1_555 2_756 yes
K(4) O(12) C(119) C(118) -42.0(7) 1_555 2_756 2_756 2_756 yes
K(4) O(12) C(120) C(120) 47.5(9) 1_555 2_756 2_756 1_555 yes
K(4) N(4) C(112) C(113) -39.8(6) 1_555 1_555 1_555 1_555 yes
K(4) N(4) C(117) C(116) -48.2(6) 1_555 1_555 2_756 2_756 yes
K(4) N(4) C(118) C(119) -45.9(6) 1_555 1_555 1_555 1_555 yes
K(4) N(4) C(112) C(113) -39.8(6) 1_555 2_756 2_756 2_756 yes
K(4) N(4) C(117) C(116) -48.2(6) 1_555 2_756 1_555 1_555 yes
K(4) N(4) C(118) C(119) -45.9(6) 1_555 2_756 2_756 2_756 yes
F(1) B(1) C(9) C(11) -39.9(5) 1_555 1_555 1_555 1_555 yes
F(1) B(1) C(9) C(14) 134.7(4) 1_555 1_555 1_555 1_555 yes
F(1) B(1) C(23) C(25) -38.6(5) 1_555 1_555 1_555 1_555 yes
F(1) B(1) C(23) C(28) 134.9(4) 1_555 1_555 1_555 1_555 yes
F(1) B(1) C(37) C(39) -42.7(5) 1_555 1_555 1_555 1_555 yes
F(1) B(1) C(37) C(42) 133.6(4) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(51) C(53) -40.8(5) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(51) C(56) 133.0(4) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(65) C(67) -40.0(5) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(65) C(70) 132.2(4) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(79) C(81) -39.9(5) 1_555 1_555 1_555 1_555 yes
F(2) B(2) C(79) C(84) 133.7(4) 1_555 1_555 1_555 1_555 yes
O(1) K(1) O(1) C(86) -119.1(4) 1_555 1_555 2_755 2_755 yes
O(1) K(1) O(1) C(87) 102.1(3) 1_555 1_555 2_755 2_755 yes
O(1) K(1) O(2) C(88) 16.0(3) 1_555 1_555 1_555 1_555 yes
O(1) K(1) O(2) C(89) 156.1(4) 1_555 1_555 1_555 1_555 yes
O(1) K(1) O(2) C(88) -95.6(4) 1_555 1_555 2_755 2_755 yes
O(1) K(1) O(2) C(89) 44.5(3) 1_555 1_555 2_755 2_755 yes
O(1) K(1) O(3) C(92) -57.2(3) 1_555 1_555 1_555 1_555 yes
O(1) K(1) O(3) C(93) 164.3(3) 1_555 1_555 1_555 1_555 yes
O(1) K(1) O(3) C(92) 94.2(4) 1_555 1_555 2_755 2_755 yes
O(1) K(1) O(3) C(93) -44.3(4) 1_555 1_555 2_755 2_755 yes
O(1) K(1) N(1) C(85) -21.8(3) 1_555 1_555 1_555 1_555 yes
O(1) K(1) N(1) C(90) -142.6(4) 1_555 1_555 1_555 2_755 yes
O(1) K(1) N(1) C(91) 98.9(3) 1_555 1_555 1_555 1_555 yes
O(1) K(1) N(1) C(85) 79.8(3) 1_555 1_555 2_755 2_755 yes
O(1) K(1) N(1) C(90) -40.9(4) 1_555 1_555 2_755 1_555 yes
O(1) K(1) N(1) C(91) -159.4(3) 1_555 1_555 2_755 2_755 yes
O(1) C(86) C(85) N(1) -59.7(6) 1_555 1_555 1_555 1_555 yes
O(1) C(87) C(88) O(2) 56.5(6) 1_555 1_555 1_555 1_555 yes
O(2) K(1) O(1) C(86) 154.5(4) 1_555 1_555 1_555 1_555 yes
O(2) K(1) O(1) C(87) 15.7(3) 1_555 1_555 1_555 1_555 yes
O(2) K(1) O(1) C(86) -59.0(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) O(1) C(87) 162.2(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) O(2) C(88) -45.7(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) O(2) C(89) 94.4(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) O(3) C(92) -117.5(3) 1_555 1_555 1_555 1_555 yes
O(2) K(1) O(3) C(93) 104.0(3) 1_555 1_555 1_555 1_555 yes
O(2) K(1) O(3) C(92) 43.4(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) O(3) C(93) -95.2(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) N(1) C(85) -39.3(4) 1_555 1_555 1_555 1_555 yes
O(2) K(1) N(1) C(90) -160.0(3) 1_555 1_555 1_555 2_755 yes
O(2) K(1) N(1) C(91) 81.5(3) 1_555 1_555 1_555 1_555 yes
O(2) K(1) N(1) C(85) 97.1(3) 1_555 1_555 2_755 2_755 yes
O(2) K(1) N(1) C(90) -23.6(3) 1_555 1_555 2_755 1_555 yes
O(2) K(1) N(1) C(91) -142.1(4) 1_555 1_555 2_755 2_755 yes
O(2) C(89) C(90) N(1) -62.2(6) 1_555 1_555 1_555 2_755 yes
O(3) K(1) O(1) C(86) 42.8(3) 1_555 1_555 1_555 1_555 yes
O(3) K(1) O(1) C(87) -96.0(3) 1_555 1_555 1_555 1_555 yes
O(3) K(1) O(1) C(86) 91.8(4) 1_555 1_555 2_755 2_755 yes
O(3) K(1) O(1) C(87) -47.0(4) 1_555 1_555 2_755 2_755 yes
O(3) K(1) O(2) C(88) 102.9(3) 1_555 1_555 1_555 1_555 yes
O(3) K(1) O(2) C(89) -117.0(3) 1_555 1_555 1_555 1_555 yes
O(3) K(1) O(2) C(88) 163.4(3) 1_555 1_555 2_755 2_755 yes
O(3) K(1) O(2) C(89) -56.5(3) 1_555 1_555 2_755 2_755 yes
O(3) K(1) O(3) C(92) 154.5(4) 1_555 1_555 2_755 2_755 yes
O(3) K(1) O(3) C(93) 16.0(3) 1_555 1_555 2_755 2_755 yes
O(3) K(1) N(1) C(85) -142.1(4) 1_555 1_555 1_555 1_555 yes
O(3) K(1) N(1) C(90) 97.1(4) 1_555 1_555 1_555 2_755 yes
O(3) K(1) N(1) C(91) -21.4(3) 1_555 1_555 1_555 1_555 yes
O(3) K(1) N(1) C(85) -159.9(3) 1_555 1_555 2_755 2_755 yes
O(3) K(1) N(1) C(90) 79.3(4) 1_555 1_555 2_755 1_555 yes
O(3) K(1) N(1) C(91) -39.2(3) 1_555 1_555 2_755 2_755 yes
O(3) C(92) C(91) N(1) -59.6(6) 1_555 1_555 1_555 1_555 yes
O(3) C(93) C(93) O(3) 56.6(8) 1_555 1_555 2_755 2_755 yes
O(4) K(2) O(4) C(95) -117.6(3) 1_555 1_555 2_655 2_655 yes
O(4) K(2) O(4) C(96) 103.2(3) 1_555 1_555 2_655 2_655 yes
O(4) K(2) O(5) C(97) 16.3(3) 1_555 1_555 1_555 1_555 yes
O(4) K(2) O(5) C(98) 153.2(4) 1_555 1_555 1_555 1_555 yes
O(4) K(2) O(5) C(97) -95.3(3) 1_555 1_555 2_655 2_655 yes
O(4) K(2) O(5) C(98) 41.7(3) 1_555 1_555 2_655 2_655 yes
O(4) K(2) O(6) C(101) -57.5(3) 1_555 1_555 1_555 1_555 yes
O(4) K(2) O(6) C(102) 162.0(3) 1_555 1_555 1_555 1_555 yes
O(4) K(2) O(6) C(101) 93.3(4) 1_555 1_555 2_655 2_655 yes
O(4) K(2) O(6) C(102) -47.2(4) 1_555 1_555 2_655 2_655 yes
O(4) K(2) N(2) C(94) -22.1(3) 1_555 1_555 1_555 1_555 yes
O(4) K(2) N(2) C(99) -141.8(4) 1_555 1_555 1_555 2_655 yes
O(4) K(2) N(2) C(100) 97.3(3) 1_555 1_555 1_555 1_555 yes
O(4) K(2) N(2) C(94) 81.1(3) 1_555 1_555 2_655 2_655 yes
O(4) K(2) N(2) C(99) -38.5(4) 1_555 1_555 2_655 1_555 yes
O(4) K(2) N(2) C(100) -159.4(3) 1_555 1_555 2_655 2_655 yes
O(4) C(95) C(94) N(2) -59.7(6) 1_555 1_555 1_555 1_555 yes
O(4) C(96) C(97) O(5) 57.0(5) 1_555 1_555 1_555 1_555 yes
O(5) K(2) O(4) C(95) 154.6(4) 1_555 1_555 1_555 1_555 yes
O(5) K(2) O(4) C(96) 15.3(3) 1_555 1_555 1_555 1_555 yes
O(5) K(2) O(4) C(95) -56.9(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) O(4) C(96) 163.9(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) O(5) C(97) -45.2(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) O(5) C(98) 91.8(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) O(6) C(101) -118.1(3) 1_555 1_555 1_555 1_555 yes
O(5) K(2) O(6) C(102) 101.4(3) 1_555 1_555 1_555 1_555 yes
O(5) K(2) O(6) C(101) 44.2(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) O(6) C(102) -96.3(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) N(2) C(94) -40.0(4) 1_555 1_555 1_555 1_555 yes
O(5) K(2) N(2) C(99) -159.7(3) 1_555 1_555 1_555 2_655 yes
O(5) K(2) N(2) C(100) 79.4(3) 1_555 1_555 1_555 1_555 yes
O(5) K(2) N(2) C(94) 98.9(3) 1_555 1_555 2_655 2_655 yes
O(5) K(2) N(2) C(99) -20.7(3) 1_555 1_555 2_655 1_555 yes
O(5) K(2) N(2) C(100) -141.6(4) 1_555 1_555 2_655 2_655 yes
O(5) C(98) C(99) N(2) -59.5(6) 1_555 1_555 1_555 2_655 yes
O(6) K(2) O(4) C(95) 43.3(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) O(4) C(96) -96.0(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) O(4) C(95) 94.0(4) 1_555 1_555 2_655 2_655 yes
O(6) K(2) O(4) C(96) -45.2(4) 1_555 1_555 2_655 2_655 yes
O(6) K(2) O(5) C(97) 103.8(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) O(5) C(98) -119.3(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) O(5) C(97) 163.4(3) 1_555 1_555 2_655 2_655 yes
O(6) K(2) O(5) C(98) -59.7(3) 1_555 1_555 2_655 2_655 yes
O(6) K(2) O(6) C(101) 156.4(4) 1_555 1_555 2_655 2_655 yes
O(6) K(2) O(6) C(102) 15.9(2) 1_555 1_555 2_655 2_655 yes
O(6) K(2) N(2) C(94) -142.3(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) N(2) C(99) 98.0(4) 1_555 1_555 1_555 2_655 yes
O(6) K(2) N(2) C(100) -22.9(3) 1_555 1_555 1_555 1_555 yes
O(6) K(2) N(2) C(94) -158.7(3) 1_555 1_555 2_655 2_655 yes
O(6) K(2) N(2) C(99) 81.6(4) 1_555 1_555 2_655 1_555 yes
O(6) K(2) N(2) C(100) -39.2(3) 1_555 1_555 2_655 2_655 yes
O(6) C(101) C(100) N(2) -60.2(5) 1_555 1_555 1_555 1_555 yes
O(6) C(102) C(102) O(6) 55.9(8) 1_555 1_555 2_655 2_655 yes
O(7) K(3) O(7) C(104) 90.2(4) 1_555 1_555 2_656 2_656 yes
O(7) K(3) O(7) C(105) -51.5(4) 1_555 1_555 2_656 2_656 yes
O(7) K(3) O(8) C(106) 20.7(3) 1_555 1_555 1_555 1_555 yes
O(7) K(3) O(8) C(107) 153.3(4) 1_555 1_555 1_555 1_555 yes
O(7) K(3) O(8) C(106) 165.6(4) 1_555 1_555 2_656 2_656 yes
O(7) K(3) O(8) C(107) -61.8(4) 1_555 1_555 2_656 2_656 yes
O(7) K(3) O(9) C(110) 37.4(4) 1_555 1_555 1_555 1_555 yes
O(7) K(3) O(9) C(111) -97.5(3) 1_555 1_555 1_555 1_555 yes
O(7) K(3) O(9) C(110) -122.3(4) 1_555 1_555 2_656 2_656 yes
O(7) K(3) O(9) C(111) 102.7(3) 1_555 1_555 2_656 2_656 yes
O(7) K(3) N(3) C(103) -19.3(3) 1_555 1_555 1_555 1_555 yes
O(7) K(3) N(3) C(108) 100.7(4) 1_555 1_555 1_555 2_656 yes
O(7) K(3) N(3) C(109) -139.2(4) 1_555 1_555 1_555 1_555 yes
O(7) K(3) N(3) C(103) -153.4(3) 1_555 1_555 2_656 2_656 yes
O(7) K(3) N(3) C(108) -33.5(4) 1_555 1_555 2_656 1_555 yes
O(7) K(3) N(3) C(109) 86.7(3) 1_555 1_555 2_656 2_656 yes
O(7) C(104) C(103) N(3) -59.8(6) 1_555 1_555 1_555 1_555 yes
O(7) C(105) C(106) O(8) 64.4(6) 1_555 1_555 1_555 1_555 yes
O(8) K(3) O(7) C(104) 153.6(5) 1_555 1_555 1_555 1_555 yes
O(8) K(3) O(7) C(105) 11.9(4) 1_555 1_555 1_555 1_555 yes
O(8) K(3) O(7) C(104) 38.7(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) O(7) C(105) -103.0(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) O(8) C(106) 104.9(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) O(8) C(107) -122.5(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) O(9) C(110) 89.1(4) 1_555 1_555 1_555 1_555 yes
O(8) K(3) O(9) C(111) -45.8(4) 1_555 1_555 1_555 1_555 yes
O(8) K(3) O(9) C(110) -61.6(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) O(9) C(111) 163.5(3) 1_555 1_555 2_656 2_656 yes
O(8) K(3) N(3) C(103) -34.0(4) 1_555 1_555 1_555 1_555 yes
O(8) K(3) N(3) C(108) 85.9(3) 1_555 1_555 1_555 2_656 yes
O(8) K(3) N(3) C(109) -153.9(3) 1_555 1_555 1_555 1_555 yes
O(8) K(3) N(3) C(103) -138.6(4) 1_555 1_555 2_656 2_656 yes
O(8) K(3) N(3) C(108) -18.6(3) 1_555 1_555 2_656 1_555 yes
O(8) K(3) N(3) C(109) 101.5(3) 1_555 1_555 2_656 2_656 yes
O(8) C(107) C(108) N(3) -61.2(7) 1_555 1_555 1_555 2_656 yes
O(9) K(3) O(7) C(104) -60.6(4) 1_555 1_555 1_555 1_555 yes
O(9) K(3) O(7) C(105) 157.7(4) 1_555 1_555 1_555 1_555 yes
O(9) K(3) O(7) C(104) -122.2(4) 1_555 1_555 2_656 2_656 yes
O(9) K(3) O(7) C(105) 96.1(4) 1_555 1_555 2_656 2_656 yes
O(9) K(3) O(8) C(106) -42.6(4) 1_555 1_555 1_555 1_555 yes
O(9) K(3) O(8) C(107) 90.0(4) 1_555 1_555 1_555 1_555 yes
O(9) K(3) O(8) C(106) -94.8(4) 1_555 1_555 2_656 2_656 yes
O(9) K(3) O(8) C(107) 37.7(4) 1_555 1_555 2_656 2_656 yes
O(9) K(3) O(9) C(110) 152.7(5) 1_555 1_555 2_656 2_656 yes
O(9) K(3) O(9) C(111) 17.8(3) 1_555 1_555 2_656 2_656 yes
O(9) K(3) N(3) C(103) 101.5(4) 1_555 1_555 1_555 1_555 yes
O(9) K(3) N(3) C(108) -138.5(4) 1_555 1_555 1_555 2_656 yes
O(9) K(3) N(3) C(109) -18.4(3) 1_555 1_555 1_555 1_555 yes
O(9) K(3) N(3) C(103) 85.8(4) 1_555 1_555 2_656 2_656 yes
O(9) K(3) N(3) C(108) -154.2(3) 1_555 1_555 2_656 1_555 yes
O(9) K(3) N(3) C(109) -34.1(3) 1_555 1_555 2_656 2_656 yes
O(9) C(110) C(109) N(3) -59.8(6) 1_555 1_555 1_555 1_555 yes
O(9) C(111) C(111) O(9) 65.4(8) 1_555 1_555 2_656 2_656 yes
O(10) K(4) O(10) C(113) 136.8(4) 1_555 1_555 2_756 2_756 yes
O(10) K(4) O(10) C(114) -90.8(4) 1_555 1_555 2_756 2_756 yes
O(10) K(4) O(11) C(115) -22.3(4) 1_555 1_555 1_555 1_555 yes
O(10) K(4) O(11) C(116) -156.4(5) 1_555 1_555 1_555 1_555 yes
O(10) K(4) O(11) C(115) 91.5(5) 1_555 1_555 2_756 2_756 yes
O(10) K(4) O(11) C(116) -42.6(5) 1_555 1_555 2_756 2_756 yes
O(10) K(4) O(12) C(119) 59.7(4) 1_555 1_555 1_555 1_555 yes
O(10) K(4) O(12) C(120) -161.2(5) 1_555 1_555 1_555 1_555 yes
O(10) K(4) O(12) C(119) -87.6(5) 1_555 1_555 2_756 2_756 yes
O(10) K(4) O(12) C(120) 51.6(6) 1_555 1_555 2_756 2_756 yes
O(10) K(4) N(4) C(112) 10.0(4) 1_555 1_555 1_555 1_555 yes
O(10) K(4) N(4) C(117) 129.8(4) 1_555 1_555 1_555 2_756 yes
O(10) K(4) N(4) C(118) -109.6(4) 1_555 1_555 1_555 1_555 yes
O(10) K(4) N(4) C(112) -88.8(4) 1_555 1_555 2_756 2_756 yes
O(10) K(4) N(4) C(117) 31.0(4) 1_555 1_555 2_756 1_555 yes
O(10) K(4) N(4) C(118) 151.5(3) 1_555 1_555 2_756 2_756 yes
O(10) C(113) C(112) N(4) 64.4(8) 1_555 1_555 1_555 1_555 yes
O(10) C(114) C(115) O(11) -66.8(7) 1_555 1_555 1_555 1_555 yes
O(11) K(4) O(10) C(113) -144.2(4) 1_555 1_555 1_555 1_555 yes
O(11) K(4) O(10) C(114) -11.8(4) 1_555 1_555 1_555 1_555 yes
O(11) K(4) O(10) C(113) 77.4(4) 1_555 1_555 2_756 2_756 yes
O(11) K(4) O(10) C(114) -150.2(4) 1_555 1_555 2_756 2_756 yes
O(11) K(4) O(11) C(115) 40.3(4) 1_555 1_555 2_756 2_756 yes
O(11) K(4) O(11) C(116) -93.7(5) 1_555 1_555 2_756 2_756 yes
O(11) K(4) O(12) C(119) 122.6(4) 1_555 1_555 1_555 1_555 yes
O(11) K(4) O(12) C(120) -98.3(5) 1_555 1_555 1_555 1_555 yes
O(11) K(4) O(12) C(119) -33.2(5) 1_555 1_555 2_756 2_756 yes
O(11) K(4) O(12) C(120) 105.9(6) 1_555 1_555 2_756 2_756 yes
O(11) K(4) N(4) C(112) 22.6(4) 1_555 1_555 1_555 1_555 yes
O(11) K(4) N(4) C(117) 142.3(4) 1_555 1_555 1_555 2_756 yes
O(11) K(4) N(4) C(118) -97.1(4) 1_555 1_555 1_555 1_555 yes
O(11) K(4) N(4) C(112) -100.7(4) 1_555 1_555 2_756 2_756 yes
O(11) K(4) N(4) C(117) 19.1(4) 1_555 1_555 2_756 1_555 yes
O(11) K(4) N(4) C(118) 139.6(4) 1_555 1_555 2_756 2_756 yes
O(11) C(116) C(117) N(4) 60.1(7) 1_555 1_555 1_555 2_756 yes
O(12) K(4) O(10) C(113) -21.9(4) 1_555 1_555 1_555 1_555 yes
O(12) K(4) O(10) C(114) 110.5(4) 1_555 1_555 1_555 1_555 yes
O(12) K(4) O(10) C(113) -77.9(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) O(10) C(114) 54.5(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) O(11) C(115) -106.9(5) 1_555 1_555 1_555 1_555 yes
O(12) K(4) O(11) C(116) 119.1(5) 1_555 1_555 1_555 1_555 yes
O(12) K(4) O(11) C(115) -166.8(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) O(11) C(116) 59.2(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) O(12) C(119) -157.1(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) O(12) C(120) -18.0(5) 1_555 1_555 2_756 2_756 yes
O(12) K(4) N(4) C(112) 136.3(4) 1_555 1_555 1_555 1_555 yes
O(12) K(4) N(4) C(117) -103.9(4) 1_555 1_555 1_555 2_756 yes
O(12) K(4) N(4) C(118) 16.7(3) 1_555 1_555 1_555 1_555 yes
O(12) K(4) N(4) C(112) 145.2(4) 1_555 1_555 2_756 2_756 yes
O(12) K(4) N(4) C(117) -95.1(4) 1_555 1_555 2_756 1_555 yes
O(12) K(4) N(4) C(118) 25.5(4) 1_555 1_555 2_756 2_756 yes
O(12) C(119) C(118) N(4) 60.6(7) 1_555 1_555 1_555 1_555 yes
O(12) C(120) C(120) O(12) -62(1) 1_555 1_555 2_756 2_756 yes
O(14) O(15) C(124) C(125) -19(1) 1_555 1_555 1_555 1_555 yes
O(14) O(15) C(124) C(127) -32(2) 1_555 1_555 1_555 1_555 yes
O(14) O(15) C(125) C(124) 158(1) 1_555 1_555 1_555 1_555 yes
O(14) O(15) C(125) C(126) -110(7) 1_555 1_555 1_555 1_555 yes
O(14) O(15) C(125) C(127) -177(2) 1_555 1_555 1_555 1_555 yes
O(14) O(15) C(125) C(128) -27(1) 1_555 1_555 1_555 1_555 yes
O(14) C(125) O(15) C(124) -158(1) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(124) O(15) 17(1) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(124) C(127) -178(1) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(126) C(127) 179(2) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(126) C(128) -11(2) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(127) C(124) 170(16) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(127) C(126) -2(17) 1_555 1_555 1_555 1_555 yes
O(14) C(125) C(128) C(126) 171(1) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(125) O(15) 20(1) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(125) C(124) 159(10) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(125) C(126) -171(1) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(125) C(127) -178(1) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(126) C(125) 5.6(10) 1_555 1_555 1_555 1_555 yes
O(14) C(128) C(126) C(127) 16(2) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(125) C(124) -24(1) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(125) C(126) 164(1) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(125) C(127) 166(16) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(125) C(128) 152(1) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(128) C(125) -41(2) 1_555 1_555 1_555 1_555 yes
O(15) O(14) C(128) C(126) -48(3) 1_555 1_555 1_555 1_555 yes
O(15) C(124) C(125) C(126) -168(1) 1_555 1_555 1_555 1_555 yes
O(15) C(124) C(125) C(127) -163(1) 1_555 1_555 1_555 1_555 yes
O(15) C(124) C(125) C(128) -140(10) 1_555 1_555 1_555 1_555 yes
O(15) C(124) C(127) C(125) 11(1) 1_555 1_555 1_555 1_555 yes
O(15) C(124) C(127) C(126) 24(4) 1_555 1_555 1_555 1_555 yes
O(15) C(125) O(14) C(128) -152(1) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(124) C(127) 163(1) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(126) C(127) -80(8) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(126) C(128) 88(7) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(127) C(124) -25(2) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(127) C(126) 162(2) 1_555 1_555 1_555 1_555 yes
O(15) C(125) C(128) C(126) -167(1) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(1) C(86) -7.5(3) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(1) C(87) -146.4(4) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(1) C(86) 172.3(3) 1_555 1_555 2_755 2_755 yes
N(1) K(1) O(1) C(87) 33.5(4) 1_555 1_555 2_755 2_755 yes
N(1) K(1) O(2) C(88) 33.8(4) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(2) C(89) 173.9(3) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(2) C(88) -146.4(4) 1_555 1_555 2_755 2_755 yes
N(1) K(1) O(2) C(89) -6.3(3) 1_555 1_555 2_755 2_755 yes
N(1) K(1) O(3) C(92) -7.2(3) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(3) C(93) -145.7(3) 1_555 1_555 1_555 1_555 yes
N(1) K(1) O(3) C(92) 172.8(3) 1_555 1_555 2_755 2_755 yes
N(1) K(1) O(3) C(93) 34.3(3) 1_555 1_555 2_755 2_755 yes
N(1) K(1) N(1) C(85) -151.0(3) 1_555 1_555 2_755 2_755 yes
N(1) K(1) N(1) C(90) 88.2(3) 1_555 1_555 2_755 1_555 yes
N(1) K(1) N(1) C(91) -30.3(3) 1_555 1_555 2_755 2_755 yes
N(2) K(2) O(4) C(95) -7.2(3) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(4) C(96) -146.4(4) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(4) C(95) 172.7(3) 1_555 1_555 2_655 2_655 yes
N(2) K(2) O(4) C(96) 33.5(4) 1_555 1_555 2_655 2_655 yes
N(2) K(2) O(5) C(97) 34.7(4) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(5) C(98) 171.6(3) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(5) C(97) -145.5(4) 1_555 1_555 2_655 2_655 yes
N(2) K(2) O(5) C(98) -8.5(3) 1_555 1_555 2_655 2_655 yes
N(2) K(2) O(6) C(101) -6.8(3) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(6) C(102) -147.2(3) 1_555 1_555 1_555 1_555 yes
N(2) K(2) O(6) C(101) 173.2(3) 1_555 1_555 2_655 2_655 yes
N(2) K(2) O(6) C(102) 32.7(3) 1_555 1_555 2_655 2_655 yes
N(2) K(2) N(2) C(94) -150.5(3) 1_555 1_555 2_655 2_655 yes
N(2) K(2) N(2) C(99) 89.8(4) 1_555 1_555 2_655 1_555 yes
N(2) K(2) N(2) C(100) -31.1(3) 1_555 1_555 2_655 2_655 yes
N(3) K(3) O(7) C(104) -11.6(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(7) C(105) -153.3(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(7) C(104) 168.5(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) O(7) C(105) 26.8(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) O(8) C(106) 35.5(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(8) C(107) 168.1(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(8) C(106) -144.4(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) O(8) C(107) -11.9(3) 1_555 1_555 2_656 2_656 yes
N(3) K(3) O(9) C(110) -11.7(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(9) C(111) -146.6(4) 1_555 1_555 1_555 1_555 yes
N(3) K(3) O(9) C(110) 168.3(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) O(9) C(111) 33.4(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) N(3) C(103) 93.7(4) 1_555 1_555 2_656 2_656 yes
N(3) K(3) N(3) C(108) -146.4(3) 1_555 1_555 2_656 1_555 yes
N(3) K(3) N(3) C(109) -26.2(3) 1_555 1_555 2_656 2_656 yes
N(4) K(4) O(10) C(113) 23.5(4) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(10) C(114) 155.8(5) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(10) C(113) -156.0(4) 1_555 1_555 2_756 2_756 yes
N(4) K(4) O(10) C(114) -23.6(5) 1_555 1_555 2_756 2_756 yes
N(4) K(4) O(11) C(115) -34.7(5) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(11) C(116) -168.8(4) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(11) C(115) 145.9(5) 1_555 1_555 2_756 2_756 yes
N(4) K(4) O(11) C(116) 11.9(4) 1_555 1_555 2_756 2_756 yes
N(4) K(4) O(12) C(119) 14.0(4) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(12) C(120) 153.2(6) 1_555 1_555 1_555 1_555 yes
N(4) K(4) O(12) C(119) -165.9(4) 1_555 1_555 2_756 2_756 yes
N(4) K(4) O(12) C(120) -26.8(6) 1_555 1_555 2_756 2_756 yes
N(4) K(4) N(4) C(112) 140.8(4) 1_555 1_555 2_756 2_756 yes
N(4) K(4) N(4) C(117) -99.5(4) 1_555 1_555 2_756 1_555 yes
N(4) K(4) N(4) C(118) 21.1(3) 1_555 1_555 2_756 2_756 yes
C(1) C(2) C(3) C(4) 1.2(10) 1_555 1_555 1_555 1_555 yes
C(1) C(11) C(9) C(14) 168.7(4) 1_555 1_555 1_555 1_555 yes
C(1) C(11) C(9) B(1) -16.2(6) 1_555 1_555 1_555 1_555 yes
C(1) C(11) C(12) C(4) 0.5(7) 1_555 1_555 1_555 1_555 yes
C(1) C(11) C(12) C(10) -176.8(4) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(11) C(9) -177.0(5) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(11) C(12) 0.2(7) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(12) -0.4(9) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(11) -1.1(8) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(12) C(10) 176.9(6) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(12) C(11) -0.5(8) 1_555 1_555 1_555 1_555 yes
C(4) C(12) C(10) C(13) -170.0(5) 1_555 1_555 1_555 1_555 yes
C(4) C(12) C(11) C(9) 177.8(4) 1_555 1_555 1_555 1_555 yes
C(5) C(6) C(7) C(8) -2.3(9) 1_555 1_555 1_555 1_555 yes
C(5) C(13) C(10) C(12) 169.9(5) 1_555 1_555 1_555 1_555 yes
C(5) C(13) C(14) C(8) -2.9(7) 1_555 1_555 1_555 1_555 yes
C(5) C(13) C(14) C(9) -178.5(4) 1_555 1_555 1_555 1_555 yes
C(6) C(5) C(13) C(10) -172.4(5) 1_555 1_555 1_555 1_555 yes
C(6) C(5) C(13) C(14) 4.3(8) 1_555 1_555 1_555 1_555 yes
C(6) C(7) C(8) C(14) 3.6(8) 1_555 1_555 1_555 1_555 yes
C(7) C(6) C(5) C(13) -1.7(9) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(14) C(9) 174.6(5) 1_555 1_555 1_555 1_555 yes
C(7) C(8) C(14) C(13) -1.0(7) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(9) C(11) -166.2(4) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(9) B(1) 19.0(7) 1_555 1_555 1_555 1_555 yes
C(8) C(14) C(13) C(10) 173.7(4) 1_555 1_555 1_555 1_555 yes
C(9) C(11) C(12) C(10) 0.4(7) 1_555 1_555 1_555 1_555 yes
C(9) C(14) C(13) C(10) -1.9(7) 1_555 1_555 1_555 1_555 yes
C(9) B(1) C(23) C(25) -150.6(4) 1_555 1_555 1_555 1_555 yes
C(9) B(1) C(23) C(28) 22.9(6) 1_555 1_555 1_555 1_555 yes
C(9) B(1) C(37) C(39) 69.2(5) 1_555 1_555 1_555 1_555 yes
C(9) B(1) C(37) C(42) -114.5(5) 1_555 1_555 1_555 1_555 yes
C(11) C(9) C(14) C(13) 9.1(6) 1_555 1_555 1_555 1_555 yes
C(11) C(9) B(1) C(23) 71.4(5) 1_555 1_555 1_555 1_555 yes
C(11) C(9) B(1) C(37) -151.0(4) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(10) C(13) 7.4(7) 1_555 1_555 1_555 1_555 yes
C(12) C(10) C(13) C(14) -6.7(7) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(9) C(14) -8.4(6) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(9) B(1) 166.7(4) 1_555 1_555 1_555 1_555 yes
C(13) C(14) C(9) B(1) -165.7(4) 1_555 1_555 1_555 1_555 yes
C(14) C(9) B(1) C(23) -114.0(5) 1_555 1_555 1_555 1_555 yes
C(14) C(9) B(1) C(37) 23.7(6) 1_555 1_555 1_555 1_555 yes
C(15) C(16) C(17) C(18) 0.3(9) 1_555 1_555 1_555 1_555 yes
C(15) C(25) C(23) C(28) 168.4(5) 1_555 1_555 1_555 1_555 yes
C(15) C(25) C(23) B(1) -17.5(6) 1_555 1_555 1_555 1_555 yes
C(15) C(25) C(26) C(18) 1.6(7) 1_555 1_555 1_555 1_555 yes
C(15) C(25) C(26) C(24) -176.1(5) 1_555 1_555 1_555 1_555 yes
C(16) C(15) C(25) C(23) -178.6(5) 1_555 1_555 1_555 1_555 yes
C(16) C(15) C(25) C(26) 0.0(7) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(18) C(26) 1.5(9) 1_555 1_555 1_555 1_555 yes
C(17) C(16) C(15) C(25) -1.0(8) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(26) C(24) 175.2(6) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(26) C(25) -2.4(8) 1_555 1_555 1_555 1_555 yes
C(18) C(26) C(24) C(27) -171.7(5) 1_555 1_555 1_555 1_555 yes
C(18) C(26) C(25) C(23) -179.7(4) 1_555 1_555 1_555 1_555 yes
C(19) C(20) C(21) C(22) -0.5(9) 1_555 1_555 1_555 1_555 yes
C(19) C(27) C(24) C(26) 169.9(5) 1_555 1_555 1_555 1_555 yes
C(19) C(27) C(28) C(22) -2.4(7) 1_555 1_555 1_555 1_555 yes
C(19) C(27) C(28) C(23) -178.3(5) 1_555 1_555 1_555 1_555 yes
C(20) C(19) C(27) C(24) -172.1(6) 1_555 1_555 1_555 1_555 yes
C(20) C(19) C(27) C(28) 3.8(8) 1_555 1_555 1_555 1_555 yes
C(20) C(21) C(22) C(28) 1.8(9) 1_555 1_555 1_555 1_555 yes
C(21) C(20) C(19) C(27) -2.3(9) 1_555 1_555 1_555 1_555 yes
C(21) C(22) C(28) C(23) 175.7(5) 1_555 1_555 1_555 1_555 yes
C(21) C(22) C(28) C(27) -0.3(7) 1_555 1_555 1_555 1_555 yes
C(22) C(28) C(23) C(25) -165.6(4) 1_555 1_555 1_555 1_555 yes
C(22) C(28) C(23) B(1) 20.7(7) 1_555 1_555 1_555 1_555 yes
C(22) C(28) C(27) C(24) 173.5(5) 1_555 1_555 1_555 1_555 yes
C(23) C(25) C(26) C(24) 2.6(7) 1_555 1_555 1_555 1_555 yes
C(23) C(28) C(27) C(24) -2.4(7) 1_555 1_555 1_555 1_555 yes
C(23) B(1) C(37) C(39) -153.7(4) 1_555 1_555 1_555 1_555 yes
C(23) B(1) C(37) C(42) 22.6(6) 1_555 1_555 1_555 1_555 yes
C(25) C(23) C(28) C(27) 10.2(7) 1_555 1_555 1_555 1_555 yes
C(25) C(23) B(1) C(37) 72.2(5) 1_555 1_555 1_555 1_555 yes
C(25) C(26) C(24) C(27) 5.9(8) 1_555 1_555 1_555 1_555 yes
C(26) C(24) C(27) C(28) -5.9(8) 1_555 1_555 1_555 1_555 yes
C(26) C(25) C(23) C(28) -10.2(6) 1_555 1_555 1_555 1_555 yes
C(26) C(25) C(23) B(1) 163.9(4) 1_555 1_555 1_555 1_555 yes
C(27) C(28) C(23) B(1) -163.6(4) 1_555 1_555 1_555 1_555 yes
C(28) C(23) B(1) C(37) -114.3(5) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(31) C(32) 3.2(8) 1_555 1_555 1_555 1_555 yes
C(29) C(39) C(37) C(42) 169.4(4) 1_555 1_555 1_555 1_555 yes
C(29) C(39) C(37) B(1) -14.0(6) 1_555 1_555 1_555 1_555 yes
C(29) C(39) C(40) C(32) 1.3(6) 1_555 1_555 1_555 1_555 yes
C(29) C(39) C(40) C(38) -175.9(4) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(39) C(37) -176.6(4) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(39) C(40) 1.7(7) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(32) C(40) -0.2(8) 1_555 1_555 1_555 1_555 yes
C(31) C(30) C(29) C(39) -4.0(8) 1_555 1_555 1_555 1_555 yes
C(31) C(32) C(40) C(38) 175.1(5) 1_555 1_555 1_555 1_555 yes
C(31) C(32) C(40) C(39) -2.0(7) 1_555 1_555 1_555 1_555 yes
C(32) C(40) C(38) C(41) -172.7(5) 1_555 1_555 1_555 1_555 yes
C(32) C(40) C(39) C(37) 179.5(4) 1_555 1_555 1_555 1_555 yes
C(33) C(34) C(35) C(36) 0.2(9) 1_555 1_555 1_555 1_555 yes
C(33) C(41) C(38) C(40) 171.1(5) 1_555 1_555 1_555 1_555 yes
C(33) C(41) C(42) C(36) -1.4(6) 1_555 1_555 1_555 1_555 yes
C(33) C(41) C(42) C(37) -178.1(4) 1_555 1_555 1_555 1_555 yes
C(34) C(33) C(41) C(38) -172.1(5) 1_555 1_555 1_555 1_555 yes
C(34) C(33) C(41) C(42) 3.3(8) 1_555 1_555 1_555 1_555 yes
C(34) C(35) C(36) C(42) 1.8(9) 1_555 1_555 1_555 1_555 yes
C(35) C(34) C(33) C(41) -2.7(8) 1_555 1_555 1_555 1_555 yes
C(35) C(36) C(42) C(37) 175.6(5) 1_555 1_555 1_555 1_555 yes
C(35) C(36) C(42) C(41) -1.1(7) 1_555 1_555 1_555 1_555 yes
C(36) C(42) C(37) C(39) -167.7(4) 1_555 1_555 1_555 1_555 yes
C(36) C(42) C(37) B(1) 15.9(7) 1_555 1_555 1_555 1_555 yes
C(36) C(42) C(41) C(38) 174.1(4) 1_555 1_555 1_555 1_555 yes
C(37) C(39) C(40) C(38) 2.3(6) 1_555 1_555 1_555 1_555 yes
C(37) C(42) C(41) C(38) -2.7(7) 1_555 1_555 1_555 1_555 yes
C(39) C(37) C(42) C(41) 8.9(6) 1_555 1_555 1_555 1_555 yes
C(39) C(40) C(38) C(41) 4.5(7) 1_555 1_555 1_555 1_555 yes
C(40) C(38) C(41) C(42) -4.3(7) 1_555 1_555 1_555 1_555 yes
C(40) C(39) C(37) C(42) -8.7(6) 1_555 1_555 1_555 1_555 yes
C(40) C(39) C(37) B(1) 167.9(4) 1_555 1_555 1_555 1_555 yes
C(41) C(42) C(37) B(1) -167.5(4) 1_555 1_555 1_555 1_555 yes
C(43) C(44) C(45) C(46) 2.5(9) 1_555 1_555 1_555 1_555 yes
C(43) C(53) C(51) C(56) 172.0(4) 1_555 1_555 1_555 1_555 yes
C(43) C(53) C(51) B(2) -13.7(6) 1_555 1_555 1_555 1_555 yes
C(43) C(53) C(54) C(46) 1.1(7) 1_555 1_555 1_555 1_555 yes
C(43) C(53) C(54) C(52) -178.0(4) 1_555 1_555 1_555 1_555 yes
C(44) C(43) C(53) C(51) 179.1(5) 1_555 1_555 1_555 1_555 yes
C(44) C(43) C(53) C(54) -1.4(7) 1_555 1_555 1_555 1_555 yes
C(44) C(45) C(46) C(54) -2.8(9) 1_555 1_555 1_555 1_555 yes
C(45) C(44) C(43) C(53) -0.3(9) 1_555 1_555 1_555 1_555 yes
C(45) C(46) C(54) C(52) -179.9(5) 1_555 1_555 1_555 1_555 yes
C(45) C(46) C(54) C(53) 1.0(8) 1_555 1_555 1_555 1_555 yes
C(46) C(54) C(52) C(55) -174.2(5) 1_555 1_555 1_555 1_555 yes
C(46) C(54) C(53) C(51) -179.4(4) 1_555 1_555 1_555 1_555 yes
C(47) C(48) C(49) C(50) -1.2(10) 1_555 1_555 1_555 1_555 yes
C(47) C(55) C(52) C(54) 172.6(5) 1_555 1_555 1_555 1_555 yes
C(47) C(55) C(56) C(50) -3.9(7) 1_555 1_555 1_555 1_555 yes
C(47) C(55) C(56) C(51) -179.2(5) 1_555 1_555 1_555 1_555 yes
C(48) C(47) C(55) C(52) -172.9(5) 1_555 1_555 1_555 1_555 yes
C(48) C(47) C(55) C(56) 4.4(8) 1_555 1_555 1_555 1_555 yes
C(48) C(49) C(50) C(56) 1.6(10) 1_555 1_555 1_555 1_555 yes
C(49) C(48) C(47) C(55) -1.8(9) 1_555 1_555 1_555 1_555 yes
C(49) C(50) C(56) C(51) 176.1(5) 1_555 1_555 1_555 1_555 yes
C(49) C(50) C(56) C(55) 0.9(8) 1_555 1_555 1_555 1_555 yes
C(50) C(56) C(51) C(53) -167.3(4) 1_555 1_555 1_555 1_555 yes
C(50) C(56) C(51) B(2) 18.7(7) 1_555 1_555 1_555 1_555 yes
C(50) C(56) C(55) C(52) 173.5(5) 1_555 1_555 1_555 1_555 yes
C(51) C(53) C(54) C(52) 1.5(7) 1_555 1_555 1_555 1_555 yes
C(51) C(56) C(55) C(52) -1.8(7) 1_555 1_555 1_555 1_555 yes
C(51) B(2) C(65) C(67) -152.3(4) 1_555 1_555 1_555 1_555 yes
C(51) B(2) C(65) C(70) 19.9(6) 1_555 1_555 1_555 1_555 yes
C(51) B(2) C(79) C(81) 72.2(5) 1_555 1_555 1_555 1_555 yes
C(51) B(2) C(79) C(84) -114.2(5) 1_555 1_555 1_555 1_555 yes
C(53) C(51) C(56) C(55) 7.6(6) 1_555 1_555 1_555 1_555 yes
C(53) C(51) B(2) C(65) 71.5(5) 1_555 1_555 1_555 1_555 yes
C(53) C(51) B(2) C(79) -152.3(4) 1_555 1_555 1_555 1_555 yes
C(53) C(54) C(52) C(55) 4.9(7) 1_555 1_555 1_555 1_555 yes
C(54) C(52) C(55) C(56) -4.7(7) 1_555 1_555 1_555 1_555 yes
C(54) C(53) C(51) C(56) -7.5(6) 1_555 1_555 1_555 1_555 yes
C(54) C(53) C(51) B(2) 166.8(4) 1_555 1_555 1_555 1_555 yes
C(55) C(56) C(51) B(2) -166.4(4) 1_555 1_555 1_555 1_555 yes
C(56) C(51) B(2) C(65) -114.6(5) 1_555 1_555 1_555 1_555 yes
C(56) C(51) B(2) C(79) 21.6(6) 1_555 1_555 1_555 1_555 yes
C(57) C(58) C(59) C(60) 2.2(9) 1_555 1_555 1_555 1_555 yes
C(57) C(67) C(65) C(70) 169.0(4) 1_555 1_555 1_555 1_555 yes
C(57) C(67) C(65) B(2) -18.1(6) 1_555 1_555 1_555 1_555 yes
C(57) C(67) C(68) C(60) 2.4(6) 1_555 1_555 1_555 1_555 yes
C(57) C(67) C(68) C(66) -175.7(4) 1_555 1_555 1_555 1_555 yes
C(58) C(57) C(67) C(65) -177.5(5) 1_555 1_555 1_555 1_555 yes
C(58) C(57) C(67) C(68) -0.7(7) 1_555 1_555 1_555 1_555 yes
C(58) C(59) C(60) C(68) -0.4(8) 1_555 1_555 1_555 1_555 yes
C(59) C(58) C(57) C(67) -1.5(8) 1_555 1_555 1_555 1_555 yes
C(59) C(60) C(68) C(66) 176.2(5) 1_555 1_555 1_555 1_555 yes
C(59) C(60) C(68) C(67) -1.9(7) 1_555 1_555 1_555 1_555 yes
C(60) C(68) C(66) C(69) -173.5(4) 1_555 1_555 1_555 1_555 yes
C(60) C(68) C(67) C(65) 179.2(4) 1_555 1_555 1_555 1_555 yes
C(61) C(62) C(63) C(64) -3.5(9) 1_555 1_555 1_555 1_555 yes
C(61) C(69) C(66) C(68) 172.4(5) 1_555 1_555 1_555 1_555 yes
C(61) C(69) C(70) C(64) -2.8(7) 1_555 1_555 1_555 1_555 yes
C(61) C(69) C(70) C(65) -179.3(4) 1_555 1_555 1_555 1_555 yes
C(62) C(61) C(69) C(66) -173.5(5) 1_555 1_555 1_555 1_555 yes
C(62) C(61) C(69) C(70) 2.5(8) 1_555 1_555 1_555 1_555 yes
C(62) C(63) C(64) C(70) 3.1(9) 1_555 1_555 1_555 1_555 yes
C(63) C(62) C(61) C(69) 0.7(9) 1_555 1_555 1_555 1_555 yes
C(63) C(64) C(70) C(65) 176.5(5) 1_555 1_555 1_555 1_555 yes
C(63) C(64) C(70) C(69) 0.1(7) 1_555 1_555 1_555 1_555 yes
C(64) C(70) C(65) C(67) -167.6(4) 1_555 1_555 1_555 1_555 yes
C(64) C(70) C(65) B(2) 20.1(7) 1_555 1_555 1_555 1_555 yes
C(64) C(70) C(69) C(66) 173.1(4) 1_555 1_555 1_555 1_555 yes
C(65) C(67) C(68) C(66) 1.1(7) 1_555 1_555 1_555 1_555 yes
C(65) C(70) C(69) C(66) -3.3(7) 1_555 1_555 1_555 1_555 yes
C(65) B(2) C(79) C(81) -151.5(4) 1_555 1_555 1_555 1_555 yes
C(65) B(2) C(79) C(84) 22.1(6) 1_555 1_555 1_555 1_555 yes
C(67) C(65) C(70) C(69) 8.6(6) 1_555 1_555 1_555 1_555 yes
C(67) C(65) B(2) C(79) 71.0(5) 1_555 1_555 1_555 1_555 yes
C(67) C(68) C(66) C(69) 4.6(7) 1_555 1_555 1_555 1_555 yes
C(68) C(66) C(69) C(70) -3.5(7) 1_555 1_555 1_555 1_555 yes
C(68) C(67) C(65) C(70) -7.5(6) 1_555 1_555 1_555 1_555 yes
C(68) C(67) C(65) B(2) 165.4(4) 1_555 1_555 1_555 1_555 yes
C(69) C(70) C(65) B(2) -163.7(4) 1_555 1_555 1_555 1_555 yes
C(70) C(65) B(2) C(79) -116.8(5) 1_555 1_555 1_555 1_555 yes
C(71) C(72) C(73) C(74) 0.8(8) 1_555 1_555 1_555 1_555 yes
C(71) C(81) C(79) C(84) 169.4(5) 1_555 1_555 1_555 1_555 yes
C(71) C(81) C(79) B(2) -16.4(6) 1_555 1_555 1_555 1_555 yes
C(71) C(81) C(82) C(74) 0.6(6) 1_555 1_555 1_555 1_555 yes
C(71) C(81) C(82) C(80) -176.3(4) 1_555 1_555 1_555 1_555 yes
C(72) C(71) C(81) C(79) -177.9(4) 1_555 1_555 1_555 1_555 yes
C(72) C(71) C(81) C(82) 0.3(7) 1_555 1_555 1_555 1_555 yes
C(72) C(73) C(74) C(82) 0.2(8) 1_555 1_555 1_555 1_555 yes
C(73) C(72) C(71) C(81) -1.1(8) 1_555 1_555 1_555 1_555 yes
C(73) C(74) C(82) C(80) 176.0(5) 1_555 1_555 1_555 1_555 yes
C(73) C(74) C(82) C(81) -0.9(7) 1_555 1_555 1_555 1_555 yes
C(74) C(82) C(80) C(83) -171.7(4) 1_555 1_555 1_555 1_555 yes
C(74) C(82) C(81) C(79) 178.9(4) 1_555 1_555 1_555 1_555 yes
C(75) C(76) C(77) C(78) -1.6(9) 1_555 1_555 1_555 1_555 yes
C(75) C(83) C(80) C(82) 171.1(5) 1_555 1_555 1_555 1_555 yes
C(75) C(83) C(84) C(78) -1.8(7) 1_555 1_555 1_555 1_555 yes
C(75) C(83) C(84) C(79) -178.5(4) 1_555 1_555 1_555 1_555 yes
C(76) C(75) C(83) C(80) -174.3(5) 1_555 1_555 1_555 1_555 yes
C(76) C(75) C(83) C(84) 1.8(8) 1_555 1_555 1_555 1_555 yes
C(76) C(77) C(78) C(84) 1.6(8) 1_555 1_555 1_555 1_555 yes
C(77) C(76) C(75) C(83) -0.1(8) 1_555 1_555 1_555 1_555 yes
C(77) C(78) C(84) C(79) 176.8(5) 1_555 1_555 1_555 1_555 yes
C(77) C(78) C(84) C(83) 0.1(7) 1_555 1_555 1_555 1_555 yes
C(78) C(84) C(79) C(81) -167.6(4) 1_555 1_555 1_555 1_555 yes
C(78) C(84) C(79) B(2) 18.6(7) 1_555 1_555 1_555 1_555 yes
C(78) C(84) C(83) C(80) 174.3(4) 1_555 1_555 1_555 1_555 yes
C(79) C(81) C(82) C(80) 1.9(7) 1_555 1_555 1_555 1_555 yes
C(79) C(84) C(83) C(80) -2.4(7) 1_555 1_555 1_555 1_555 yes
C(81) C(79) C(84) C(83) 8.9(6) 1_555 1_555 1_555 1_555 yes
C(81) C(82) C(80) C(83) 5.2(7) 1_555 1_555 1_555 1_555 yes
C(82) C(80) C(83) C(84) -5.0(7) 1_555 1_555 1_555 1_555 yes
C(82) C(81) C(79) C(84) -8.7(6) 1_555 1_555 1_555 1_555 yes
C(82) C(81) C(79) B(2) 165.5(4) 1_555 1_555 1_555 1_555 yes
C(83) C(84) C(79) B(2) -164.9(4) 1_555 1_555 1_555 1_555 yes
C(85) N(1) C(90) C(89) -64.7(5) 1_555 1_555 2_755 2_755 yes
C(85) N(1) C(91) C(92) 170.9(4) 1_555 1_555 1_555 1_555 yes
C(85) C(86) O(1) C(87) 176.3(4) 1_555 1_555 1_555 1_555 yes
C(86) O(1) C(87) C(88) 174.5(4) 1_555 1_555 1_555 1_555 yes
C(86) C(85) N(1) C(90) 169.1(4) 1_555 1_555 1_555 2_755 yes
C(86) C(85) N(1) C(91) -67.7(5) 1_555 1_555 1_555 1_555 yes
C(87) C(88) O(2) C(89) 172.7(4) 1_555 1_555 1_555 1_555 yes
C(88) O(2) C(89) C(90) 178.6(4) 1_555 1_555 1_555 1_555 yes
C(89) C(90) N(1) C(91) 171.6(4) 1_555 1_555 2_755 2_755 yes
C(90) N(1) C(91) C(92) -65.0(5) 1_555 2_755 2_755 2_755 yes
C(91) C(92) O(3) C(93) 176.3(4) 1_555 1_555 1_555 1_555 yes
C(92) O(3) C(93) C(93) 173.8(5) 1_555 1_555 1_555 2_755 yes
C(94) N(2) C(99) C(98) -68.0(5) 1_555 1_555 2_655 2_655 yes
C(94) N(2) C(100) C(101) 170.6(4) 1_555 1_555 1_555 1_555 yes
C(94) C(95) O(4) C(96) 177.1(4) 1_555 1_555 1_555 1_555 yes
C(95) O(4) C(96) C(97) 173.7(4) 1_555 1_555 1_555 1_555 yes
C(95) C(94) N(2) C(99) 170.8(5) 1_555 1_555 1_555 2_655 yes
C(95) C(94) N(2) C(100) -66.5(5) 1_555 1_555 1_555 1_555 yes
C(96) C(97) O(5) C(98) 175.8(4) 1_555 1_555 1_555 1_555 yes
C(97) O(5) C(98) C(99) 175.5(4) 1_555 1_555 1_555 1_555 yes
C(98) C(99) N(2) C(100) 169.4(5) 1_555 1_555 2_655 2_655 yes
C(99) N(2) C(100) C(101) -67.2(5) 1_555 2_655 2_655 2_655 yes
C(100) C(101) O(6) C(102) 177.8(4) 1_555 1_555 1_555 1_555 yes
C(101) O(6) C(102) C(102) 172.5(5) 1_555 1_555 1_555 2_655 yes
C(103) N(3) C(108) C(107) 167.8(5) 1_555 1_555 2_656 2_656 yes
C(103) N(3) C(109) C(110) -71.5(6) 1_555 1_555 1_555 1_555 yes
C(103) C(104) O(7) C(105) -177.4(4) 1_555 1_555 1_555 1_555 yes
C(104) O(7) C(105) C(106) 171.5(5) 1_555 1_555 1_555 1_555 yes
C(104) C(103) N(3) C(108) -70.2(6) 1_555 1_555 1_555 2_656 yes
C(104) C(103) N(3) C(109) 168.7(5) 1_555 1_555 1_555 1_555 yes
C(105) C(106) O(8) C(107) 171.6(5) 1_555 1_555 1_555 1_555 yes
C(106) O(8) C(107) C(108) 172.9(5) 1_555 1_555 1_555 1_555 yes
C(107) C(108) N(3) C(109) -71.1(6) 1_555 1_555 2_656 2_656 yes
C(108) N(3) C(109) C(110) 167.3(5) 1_555 2_656 2_656 2_656 yes
C(109) C(110) O(9) C(111) 176.5(5) 1_555 1_555 1_555 1_555 yes
C(110) O(9) C(111) C(111) 172.3(5) 1_555 1_555 1_555 2_656 yes
C(112) N(4) C(117) C(116) 71.0(7) 1_555 1_555 2_756 2_756 yes
C(112) N(4) C(118) C(119) -164.8(6) 1_555 1_555 1_555 1_555 yes
C(112) C(113) O(10) C(114) 171.9(6) 1_555 1_555 1_555 1_555 yes
C(113) O(10) C(114) C(115) 179.3(6) 1_555 1_555 1_555 1_555 yes
C(113) C(112) N(4) C(117) -158.8(5) 1_555 1_555 1_555 2_756 yes
C(113) C(112) N(4) C(118) 78.3(7) 1_555 1_555 1_555 1_555 yes
C(114) C(115) O(11) C(116) -166.8(5) 1_555 1_555 1_555 1_555 yes
C(115) O(11) C(116) C(117) -174.9(5) 1_555 1_555 1_555 1_555 yes
C(116) C(117) N(4) C(118) -166.6(6) 1_555 1_555 2_756 2_756 yes
C(117) N(4) C(118) C(119) 73.1(7) 1_555 2_756 2_756 2_756 yes
C(118) C(119) O(12) C(120) 176.4(6) 1_555 1_555 1_555 1_555 yes
C(119) O(12) C(120) C(120) -169.0(7) 1_555 1_555 1_555 2_756 yes
C(124) O(15) O(14) C(125) 20(1) 1_555 1_555 1_555 1_555 yes
C(124) O(15) O(14) C(128) 61(3) 1_555 1_555 1_555 1_555 yes
C(124) O(15) C(125) C(126) 90(7) 1_555 1_555 1_555 1_555 yes
C(124) O(15) C(125) C(127) 23(2) 1_555 1_555 1_555 1_555 yes
C(124) O(15) C(125) C(128) 174(1) 1_555 1_555 1_555 1_555 yes
C(124) C(125) O(14) C(128) -176(1) 1_555 1_555 1_555 1_555 yes
C(124) C(125) C(126) C(127) 7(2) 1_555 1_555 1_555 1_555 yes
C(124) C(125) C(126) C(128) 175(1) 1_555 1_555 1_555 1_555 yes
C(124) C(125) C(127) C(126) -172(2) 1_555 1_555 1_555 1_555 yes
C(124) C(125) C(128) C(126) -28(10) 1_555 1_555 1_555 1_555 yes
C(124) C(127) C(125) C(126) 172(2) 1_555 1_555 1_555 1_555 yes
C(124) C(127) C(125) C(128) -176(1) 1_555 1_555 1_555 1_555 yes
C(124) C(127) C(126) C(125) -12(3) 1_555 1_555 1_555 1_555 yes
C(124) C(127) C(126) C(128) -22(5) 1_555 1_555 1_555 1_555 yes
C(125) O(14) C(128) C(126) -6(1) 1_555 1_555 1_555 1_555 yes
C(125) O(15) O(14) C(128) 40(2) 1_555 1_555 1_555 1_555 yes
C(125) O(15) C(124) C(127) -12(1) 1_555 1_555 1_555 1_555 yes
C(125) C(124) C(127) C(126) 13(4) 1_555 1_555 1_555 1_555 yes
C(125) C(127) C(126) C(128) -10(2) 1_555 1_555 1_555 1_555 yes
C(125) C(128) C(126) C(127) 11(2) 1_555 1_555 1_555 1_555 yes
C(126) C(125) O(14) C(128) 11(2) 1_555 1_555 1_555 1_555 yes
C(126) C(125) C(124) C(127) -4(1) 1_555 1_555 1_555 1_555 yes
C(126) C(127) C(125) C(128) 11(2) 1_555 1_555 1_555 1_555 yes
C(126) C(128) C(125) C(127) -7(1) 1_555 1_555 1_555 1_555 yes
C(127) C(124) C(125) C(128) 22(10) 1_555 1_555 1_555 1_555 yes
C(127) C(125) O(14) C(128) 13(16) 1_555 1_555 1_555 1_555 yes
C(127) C(125) C(126) C(128) 168(2) 1_555 1_555 1_555 1_555 yes
C(127) C(126) C(125) C(128) -168(2) 1_555 1_555 1_555 1_555 yes
