#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/50/7115048.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_7115048
loop_
_publ_author_name
'Suzuki, Takanori'
'Higuchi, Hiroki'
'Ohkita, Masakazu'
'Tsuji, Takashi'
_publ_section_title
;
 Dual-mode electrochromism switched by proton transfer: dynamic redox
 properties of bis(diarylmethylenium)-type dyes
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1574
_journal_paper_doi               10.1039/b104742f
_journal_year                    2001
_chemical_formula_sum            'C48 H52 I6 N4'
_chemical_formula_weight         1446.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.970(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.054(2)
_cell_length_b                   17.393(3)
_cell_length_c                   28.880(5)
_cell_measurement_reflns_used    9843
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      0.7
_cell_volume                     5043.4(16)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    DirectMethod
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.9713
_diffrn_measured_fraction_theta_max 0.9713
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_exptl_absorpt_coefficient_mu    3.733
_exptl_absorpt_correction_T_max  0.830
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.905
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.09
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.501
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4842
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.0025
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00063|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0812
_reflns_number_gt                4842
_reflns_number_total             9651
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            b104742f.txt
_cod_data_source_block           010501-2
_cod_original_cell_volume        5043(1)
_cod_original_formula_sum        'C48 H52 I6 N4 '
_cod_database_code               7115048
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+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
I(1) I 0.47852(9) 0.11293(6) 0.49472(4) 0.0393(3) Uani 1.00 d
I(2) I 0.37912(9) 0.26470(6) 0.46826(4) 0.0378(3) Uani 1.00 d
I(3) I 0.2653(1) 0.41770(7) 0.44696(4) 0.0477(3) Uani 1.00 d
I(4) I -0.0315(1) 0.17552(6) 0.71566(4) 0.0422(3) Uani 1.00 d
I(5) I -0.05446(9) 0.27363(6) 0.63132(3) 0.0323(2) Uani 1.00 d
I(6) I -0.0680(1) 0.35997(7) 0.54609(4) 0.0452(3) Uani 1.00 d
N(1) N 1.017(1) -0.1008(6) 0.4643(4) 0.030(3) Uiso 1.00 d
N(2) N 0.621(1) 0.4024(6) 0.4038(4) 0.027(3) Uiso 1.00 d
N(3) N 0.196(1) 0.2189(6) 0.3444(4) 0.028(3) Uiso 1.00 d
N(4) N 0.560(1) -0.2960(6) 0.4079(4) 0.023(2) Uiso 1.00 d
C(1) C 0.757(1) 0.1116(7) 0.3418(4) 0.022(3) Uiso 1.00 d
C(2) C 0.733(1) 0.0901(7) 0.2898(4) 0.023(3) Uiso 1.00 d
C(3) C 0.687(1) 0.0072(7) 0.2840(4) 0.022(3) Uiso 1.00 d
C(4) C 0.571(1) -0.0134(7) 0.3143(4) 0.019(3) Uiso 1.00 d
C(5) C 0.828(1) 0.0590(7) 0.3731(4) 0.017(3) Uiso 1.00 d
C(6) C 0.770(1) 0.0350(7) 0.4148(4) 0.025(3) Uiso 1.00 d
C(7) C 0.831(1) -0.0212(7) 0.4434(4) 0.024(3) Uiso 1.00 d
C(8) C 0.956(1) -0.0511(8) 0.4351(5) 0.032(3) Uiso 1.00 d
C(9) C 1.017(1) -0.0278(8) 0.3933(5) 0.029(3) Uiso 1.00 d
C(10) C 0.952(1) 0.0245(8) 0.3635(5) 0.028(3) Uiso 1.00 d
C(11) C 0.949(1) -0.1369(8) 0.5023(5) 0.035(3) Uiso 1.00 d
C(12) C 1.154(1) -0.1187(8) 0.4619(5) 0.033(3) Uiso 1.00 d
C(13) C 0.713(1) 0.1831(7) 0.3580(4) 0.018(3) Uiso 1.00 d
C(14) C 0.624(1) 0.2334(7) 0.3306(5) 0.025(3) Uiso 1.00 d
C(15) C 0.596(1) 0.3034(8) 0.3466(5) 0.027(3) Uiso 1.00 d
C(16) C 0.644(1) 0.3320(8) 0.3904(5) 0.028(3) Uiso 1.00 d
C(17) C 0.722(1) 0.2803(7) 0.4195(4) 0.020(3) Uiso 1.00 d
C(18) C 0.756(1) 0.2069(7) 0.4028(4) 0.022(3) Uiso 1.00 d
C(19) C 0.557(1) 0.4595(9) 0.3694(5) 0.042(4) Uiso 1.00 d
C(20) C 0.666(1) 0.4347(9) 0.4487(5) 0.038(4) Uiso 1.00 d
C(21) C 0.856(1) 0.1098(7) 0.2624(5) 0.024(3) Uiso 1.00 d
C(22) C 0.948(1) 0.0524(8) 0.2481(5) 0.030(3) Uiso 1.00 d
C(23) C 1.055(1) 0.0757(9) 0.2218(5) 0.037(4) Uiso 1.00 d
C(24) C 1.071(1) 0.1530(9) 0.2093(5) 0.039(4) Uiso 1.00 d
C(25) C 0.980(1) 0.2061(9) 0.2235(5) 0.039(4) Uiso 1.00 d
C(26) C 0.876(1) 0.1855(8) 0.2497(5) 0.033(3) Uiso 1.00 d
C(27) C 0.652(1) -0.0161(7) 0.2347(4) 0.019(3) Uiso 1.00 d
C(28) C 0.652(1) -0.0945(8) 0.2256(5) 0.028(3) Uiso 1.00 d
C(29) C 0.615(1) -0.1225(8) 0.1788(5) 0.030(3) Uiso 1.00 d
C(30) C 0.581(1) -0.0700(7) 0.1437(5) 0.026(3) Uiso 1.00 d
C(31) C 0.584(1) 0.0096(8) 0.1534(5) 0.028(3) Uiso 1.00 d
C(32) C 0.621(1) 0.0343(7) 0.1980(4) 0.024(3) Uiso 1.00 d
C(33) C 0.463(1) 0.0401(7) 0.3180(4) 0.025(3) Uiso 1.00 d
C(34) C 0.421(1) 0.0937(8) 0.2846(5) 0.032(3) Uiso 1.00 d
C(35) C 0.334(1) 0.1505(8) 0.2922(5) 0.029(3) Uiso 1.00 d
C(36) C 0.275(1) 0.1578(7) 0.3357(4) 0.021(3) Uiso 1.00 d
C(37) C 0.308(1) 0.1006(7) 0.3708(4) 0.018(3) Uiso 1.00 d
C(38) C 0.399(1) 0.0450(8) 0.3622(5) 0.031(3) Uiso 1.00 d
C(39) C 0.192(2) 0.2903(9) 0.3158(5) 0.041(4) Uiso 1.00 d
C(40) C 0.097(1) 0.2180(8) 0.3807(5) 0.027(3) Uiso 1.00 d
C(41) C 0.571(1) -0.0858(7) 0.3384(4) 0.020(3) Uiso 1.00 d
C(42) C 0.446(1) -0.1190(7) 0.3508(4) 0.023(3) Uiso 1.00 d
C(43) C 0.443(1) -0.1885(7) 0.3727(5) 0.025(3) Uiso 1.00 d
C(44) C 0.560(1) -0.2289(7) 0.3866(4) 0.023(3) Uiso 1.00 d
C(45) C 0.686(1) -0.1954(8) 0.3726(5) 0.028(3) Uiso 1.00 d
C(46) C 0.686(1) -0.1285(7) 0.3494(5) 0.026(3) Uiso 1.00 d
C(47) C 0.436(1) -0.3310(8) 0.4225(5) 0.034(3) Uiso 1.00 d
C(48) C 0.685(1) -0.3403(8) 0.4157(5) 0.030(3) Uiso 1.00 d
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)
;
I I -0.474 1.812
;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_publ_flag
I(1) I(2) I(3) 175.88(5) yes
I(4) I(5) I(6) 175.93(5) yes
C(8) N(1) C(11) 122(1) yes
C(8) N(1) C(12) 121(1) yes
C(11) N(1) C(12) 115(1) yes
C(16) N(2) C(19) 119(1) yes
C(16) N(2) C(20) 124(1) yes
C(19) N(2) C(20) 115(1) yes
C(36) N(3) C(39) 123(1) yes
C(36) N(3) C(40) 122(1) yes
C(39) N(3) C(40) 113(1) yes
C(44) N(4) C(47) 121(1) yes
C(44) N(4) C(48) 120(1) yes
C(47) N(4) C(48) 117(1) yes
C(2) C(1) C(5) 119(1) yes
C(2) C(1) C(13) 120(1) yes
C(5) C(1) C(13) 120(1) yes
C(1) C(2) C(3) 111(1) yes
C(1) C(2) C(21) 110(1) yes
C(3) C(2) C(21) 113(1) yes
C(2) C(3) C(4) 113.3(10) yes
C(2) C(3) C(27) 114(1) yes
C(4) C(3) C(27) 109(1) yes
C(3) C(4) C(33) 119(1) yes
C(3) C(4) C(41) 120(1) yes
C(33) C(4) C(41) 120(1) yes
C(1) C(5) C(6) 120(1) yes
C(1) C(5) C(10) 123(1) yes
C(6) C(5) C(10) 116(1) yes
C(5) C(6) C(7) 121(1) yes
C(6) C(7) C(8) 121(1) yes
N(1) C(8) C(7) 121(1) yes
N(1) C(8) C(9) 120(1) yes
C(7) C(8) C(9) 117(1) yes
C(8) C(9) C(10) 119(1) yes
C(5) C(10) C(9) 122(1) yes
C(1) C(13) C(14) 123(1) yes
C(1) C(13) C(18) 118(1) yes
C(14) C(13) C(18) 118(1) yes
C(13) C(14) C(15) 119(1) yes
C(14) C(15) C(16) 123(1) yes
N(2) C(16) C(15) 122(1) yes
N(2) C(16) C(17) 120(1) yes
C(15) C(16) C(17) 116(1) yes
C(16) C(17) C(18) 119(1) yes
C(13) C(18) C(17) 120(1) yes
C(2) C(21) C(22) 122(1) yes
C(2) C(21) C(26) 118(1) yes
C(22) C(21) C(26) 119(1) yes
C(21) C(22) C(23) 118(1) yes
C(22) C(23) C(24) 121(1) yes
C(23) C(24) C(25) 118(1) yes
C(24) C(25) C(26) 121(1) yes
C(21) C(26) C(25) 120(1) yes
C(3) C(27) C(28) 116(1) yes
C(3) C(27) C(32) 125(1) yes
C(28) C(27) C(32) 118(1) yes
C(27) C(28) C(29) 119(1) yes
C(28) C(29) C(30) 119(1) yes
C(29) C(30) C(31) 119(1) yes
C(30) C(31) C(32) 119(1) yes
C(27) C(32) C(31) 123(1) yes
C(4) C(33) C(34) 125(1) yes
C(4) C(33) C(38) 118(1) yes
C(34) C(33) C(38) 115(1) yes
C(33) C(34) C(35) 123(1) yes
C(34) C(35) C(36) 120(1) yes
N(3) C(36) C(35) 120(1) yes
N(3) C(36) C(37) 121(1) yes
C(35) C(36) C(37) 117(1) yes
C(36) C(37) C(38) 119(1) yes
C(33) C(38) C(37) 121(1) yes
C(4) C(41) C(42) 119(1) yes
C(4) C(41) C(46) 123(1) yes
C(42) C(41) C(46) 117(1) yes
C(41) C(42) C(43) 120(1) yes
C(42) C(43) C(44) 122(1) yes
N(4) C(44) C(43) 123(1) yes
N(4) C(44) C(45) 119(1) yes
C(43) C(44) C(45) 116(1) yes
C(44) C(45) C(46) 120(1) yes
C(41) C(46) C(45) 123(1) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
I(1) I(2) 2.911(2) yes
I(2) I(3) 2.949(2) yes
I(4) I(5) 2.973(1) yes
I(5) I(6) 2.881(2) yes
N(1) C(8) 1.33(2) yes
N(1) C(11) 1.46(2) yes
N(1) C(12) 1.42(2) yes
N(2) C(16) 1.31(2) yes
N(2) C(19) 1.52(2) yes
N(2) C(20) 1.46(2) yes
N(3) C(36) 1.36(2) yes
N(3) C(39) 1.49(2) yes
N(3) C(40) 1.48(2) yes
N(4) C(44) 1.32(2) yes
N(4) C(47) 1.47(2) yes
N(4) C(48) 1.48(2) yes
C(1) C(2) 1.55(2) yes
C(1) C(5) 1.45(2) yes
C(1) C(13) 1.41(2) yes
C(2) C(3) 1.52(2) yes
C(2) C(21) 1.54(2) yes
C(3) C(4) 1.53(2) yes
C(3) C(27) 1.50(2) yes
C(4) C(33) 1.44(2) yes
C(4) C(41) 1.44(2) yes
C(5) C(6) 1.43(2) yes
C(5) C(10) 1.42(2) yes
C(6) C(7) 1.40(2) yes
C(7) C(8) 1.40(2) yes
C(8) C(9) 1.44(2) yes
C(9) C(10) 1.39(2) yes
C(13) C(14) 1.45(2) yes
C(13) C(18) 1.41(2) yes
C(14) C(15) 1.34(2) yes
C(15) C(16) 1.42(2) yes
C(16) C(17) 1.44(2) yes
C(17) C(18) 1.41(2) yes
C(21) C(22) 1.44(2) yes
C(21) C(26) 1.38(2) yes
C(22) C(23) 1.40(2) yes
C(23) C(24) 1.40(2) yes
C(24) C(25) 1.38(2) yes
C(25) C(26) 1.38(2) yes
C(27) C(28) 1.39(2) yes
C(27) C(32) 1.40(2) yes
C(28) C(29) 1.47(2) yes
C(29) C(30) 1.39(2) yes
C(30) C(31) 1.41(2) yes
C(31) C(32) 1.39(2) yes
C(33) C(34) 1.39(2) yes
C(33) C(38) 1.46(2) yes
C(34) C(35) 1.35(2) yes
C(35) C(36) 1.42(2) yes
C(36) C(37) 1.45(2) yes
C(37) C(38) 1.36(2) yes
C(41) C(42) 1.45(2) yes
C(41) C(46) 1.40(2) yes
C(42) C(43) 1.37(2) yes
C(43) C(44) 1.41(2) yes
C(44) C(45) 1.47(2) yes
C(45) C(46) 1.34(2) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
I(1) I(2) 2.911(2) .
I(2) I(3) 2.949(2) .
I(4) I(5) 2.973(1) .
I(5) I(6) 2.881(2) .
N(2) C(30) 3.40(2) 2_655
C(15) C(29) 3.30(2) 2_655
C(16) C(29) 3.32(2) 2_655
C(16) C(30) 3.44(2) 2_655
C(18) C(40) 3.53(2) 1_655
C(19) C(23) 3.46(2) 2_655
C(24) C(35) 3.47(2) 1_655
C(25) C(44) 3.38(2) 2_655
C(25) C(43) 3.45(2) 2_655
C(29) C(39) 3.45(2) 2_545
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_publ_flag
N(1) C(8) C(7) C(6) 175(1) yes
N(1) C(8) C(9) C(10) -179(1) yes
N(2) C(16) C(15) C(14) 175(1) yes
N(2) C(16) C(17) C(18) -174(1) yes
N(3) C(36) C(35) C(34) 174(1) yes
N(3) C(36) C(37) C(38) -172(1) yes
N(4) C(44) C(43) C(42) 179(1) yes
N(4) C(44) C(45) C(46) 177(1) yes
C(1) C(2) C(3) C(4) 48(1) yes
C(1) C(2) C(3) C(27) 175.6(10) yes
C(1) C(2) C(21) C(22) 103(1) yes
C(1) C(2) C(21) C(26) -78(1) yes
C(1) C(5) C(6) C(7) 173(1) yes
C(1) C(5) C(10) C(9) -177(1) yes
C(1) C(13) C(14) C(15) -174(1) yes
C(1) C(13) C(18) C(17) 175(1) yes
C(2) C(1) C(5) C(6) -126(1) yes
C(2) C(1) C(5) C(10) 48(1) yes
C(2) C(1) C(13) C(14) 11(1) yes
C(2) C(1) C(13) C(18) -168(1) yes
C(2) C(3) C(4) C(33) 43(1) yes
C(2) C(3) C(4) C(41) -137(1) yes
C(2) C(3) C(27) C(28) 159(1) yes
C(2) C(3) C(27) C(32) -20(1) yes
C(2) C(21) C(22) C(23) 177(1) yes
C(2) C(21) C(26) C(25) -177(1) yes
C(3) C(2) C(1) C(5) 45(1) yes
C(3) C(2) C(1) C(13) -136(1) yes
C(3) C(2) C(21) C(22) -23(1) yes
C(3) C(2) C(21) C(26) 154(1) yes
C(3) C(4) C(33) C(34) 27(1) yes
C(3) C(4) C(33) C(38) -145(1) yes
C(3) C(4) C(41) C(42) -154(1) yes
C(3) C(4) C(41) C(46) 22(1) yes
C(3) C(27) C(28) C(29) 177(1) yes
C(3) C(27) C(32) C(31) -177(1) yes
C(4) C(3) C(2) C(21) 175(1) yes
C(4) C(3) C(27) C(28) -72(1) yes
C(4) C(3) C(27) C(32) 108(1) yes
C(4) C(33) C(34) C(35) -169(1) yes
C(4) C(33) C(38) C(37) 171(1) yes
C(4) C(41) C(42) C(43) 178(1) yes
C(4) C(41) C(46) C(45) 178(1) yes
C(5) C(1) C(2) C(21) -82(1) yes
C(5) C(1) C(13) C(14) -170(1) yes
C(5) C(1) C(13) C(18) 9(1) yes
C(5) C(6) C(7) C(8) 6(1) yes
C(5) C(10) C(9) C(8) 2(2) yes
C(6) C(5) C(1) C(13) 55(1) yes
C(6) C(5) C(10) C(9) -2(1) yes
C(6) C(7) C(8) C(9) -5(1) yes
C(7) C(6) C(5) C(10) -2(1) yes
C(7) C(8) N(1) C(11) 10(2) yes
C(7) C(8) N(1) C(12) -166(1) yes
C(7) C(8) C(9) C(10) 1(2) yes
C(9) C(8) N(1) C(11) -168(1) yes
C(9) C(8) N(1) C(12) 15(2) yes
C(10) C(5) C(1) C(13) -128(1) yes
C(13) C(1) C(2) C(21) 95(1) yes
C(13) C(14) C(15) C(16) -2(1) yes
C(13) C(18) C(17) C(16) 0(1) yes
C(14) C(13) C(18) C(17) -4(1) yes
C(14) C(15) C(16) C(17) -2(1) yes
C(15) C(14) C(13) C(18) 5(1) yes
C(15) C(16) N(2) C(19) -8(1) yes
C(15) C(16) N(2) C(20) 179(1) yes
C(15) C(16) C(17) C(18) 4(1) yes
C(17) C(16) N(2) C(19) 170(1) yes
C(17) C(16) N(2) C(20) -2(1) yes
C(21) C(2) C(3) C(27) -57(1) yes
C(21) C(22) C(23) C(24) 0(2) yes
C(21) C(26) C(25) C(24) 0(2) yes
C(22) C(21) C(26) C(25) 0(2) yes
C(22) C(23) C(24) C(25) 0(2) yes
C(23) C(22) C(21) C(26) 0(2) yes
C(23) C(24) C(25) C(26) 0(2) yes
C(27) C(3) C(4) C(33) -85(1) yes
C(27) C(3) C(4) C(41) 93(1) yes
C(27) C(28) C(29) C(30) 0(1) yes
C(27) C(32) C(31) C(30) -1(1) yes
C(28) C(27) C(32) C(31) 3(1) yes
C(28) C(29) C(30) C(31) 0(1) yes
C(29) C(28) C(27) C(32) -2(1) yes
C(29) C(30) C(31) C(32) 0(1) yes
C(33) C(4) C(41) C(42) 24(1) yes
C(33) C(4) C(41) C(46) -158(1) yes
C(33) C(34) C(35) C(36) -1(2) yes
C(33) C(38) C(37) C(36) -1(1) yes
C(34) C(33) C(4) C(41) -151(1) yes
C(34) C(33) C(38) C(37) -2(1) yes
C(34) C(35) C(36) C(37) -2(1) yes
C(35) C(34) C(33) C(38) 4(2) yes
C(35) C(36) N(3) C(39) -16(1) yes
C(35) C(36) N(3) C(40) 158(1) yes
C(35) C(36) C(37) C(38) 4(1) yes
C(37) C(36) N(3) C(39) 160(1) yes
C(37) C(36) N(3) C(40) -24(1) yes
C(38) C(33) C(4) C(41) 35(1) yes
C(41) C(42) C(43) C(44) 3(1) yes
C(41) C(46) C(45) C(44) 2(2) yes
C(42) C(41) C(46) C(45) -3(1) yes
C(42) C(43) C(44) C(45) -5(1) yes
C(43) C(42) C(41) C(46) 0(1) yes
C(43) C(44) N(4) C(47) -5(1) yes
C(43) C(44) N(4) C(48) 171(1) yes
C(43) C(44) C(45) C(46) 2(1) yes
C(45) C(44) N(4) C(47) 179(1) yes
C(45) C(44) N(4) C(48) -3(1) yes
C(45) C(44) N(4) C(48) -3(1) yes
