#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:28:53 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180102 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/00/7100069.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_7100069
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b504116c
_journal_year                    2005
_chemical_formula_moiety         'C48 H76 Mn8 N4 O28'
_chemical_formula_sum            'C48 H76 Mn8 N4 O28'
_chemical_formula_weight         1596.65
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.621(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.753(3)
_cell_length_b                   27.559(6)
_cell_length_c                   25.860(8)
_cell_measurement_temperature    150
_cell_volume                     6267(3)
_diffrn_ambient_temperature      150
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7100069
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn Uani 0.81436(16) 0.31958(5) 0.38153(6) 1.000 0.0308(5) . .
Mn2 Mn Uani 0.67019(15) 0.37371(5) 0.26812(6) 1.000 0.0273(5) . .
Mn3 Mn Uani 0.96011(15) 0.41025(5) 0.37087(6) 1.000 0.0282(5) . .
Mn4 Mn Uani 0.73011(16) 0.51564(5) 0.14259(6) 1.000 0.0294(5) . .
Mn5 Mn Uani 0.87062(15) 0.46403(5) 0.25763(6) 1.000 0.0274(5) . .
Mn6 Mn Uani 0.58221(15) 0.42629(5) 0.15512(6) 1.000 0.0273(5) . .
Mn7 Mn Uani 0.77974(16) 0.50542(5) 0.34663(6) 1.000 0.0303(5) . .
Mn8 Mn Uani 0.76026(15) 0.33167(5) 0.17870(6) 1.000 0.0283(5) . .
O1 O Uani 0.7837(6) 0.44524(19) 0.3106(2) 1.000 0.026(2) . .
O2 O Uani 0.7574(6) 0.39195(18) 0.2155(2) 1.000 0.023(2) . .
O3 O Uani 0.8676(6) 0.35360(18) 0.3274(2) 1.000 0.026(2) . .
O4 O Uani 0.6743(6) 0.48412(19) 0.1976(2) 1.000 0.026(2) . .
O17 O Uani 0.7492(7) 0.2891(2) 0.4312(3) 1.000 0.036(2) . .
O20 O Uani 0.6952(7) 0.1800(2) 0.3073(3) 1.000 0.040(3) . .
O37 O Uani 0.8041(7) 0.5431(2) 0.0933(3) 1.000 0.035(2) . .
O40 O Uani 0.8020(8) 0.6619(2) 0.1989(3) 1.000 0.049(3) . .
O57 O Uani 0.7632(7) 0.5649(2) 0.3795(3) 1.000 0.037(3) . .
O60 O Uani 0.5103(7) 0.4689(2) 0.4320(3) 1.000 0.039(3) . .
O77 O Uani 0.7742(7) 0.2720(2) 0.1457(3) 1.000 0.035(2) . .
O80 O Uani 1.0277(7) 0.3698(2) 0.0928(3) 1.000 0.039(3) . .
O93 O Uani 1.0603(7) 0.3028(2) 0.4277(3) 1.000 0.038(2) . .
O94 O Uani 1.1551(7) 0.3753(2) 0.4190(3) 1.000 0.034(2) . .
O103 O Uani 0.4844(7) 0.5323(2) 0.0949(3) 1.000 0.036(3) . .
O104 O Uani 0.3889(6) 0.4605(2) 0.1055(2) 1.000 0.031(2) . .
O112 O Uani 0.9822(7) 0.3194(2) 0.2589(3) 1.000 0.038(2) . .
O114 O Uani 0.5545(7) 0.5192(2) 0.2647(3) 1.000 0.037(2) . .
O122 O Uani 0.5933(6) 0.35139(19) 0.3195(3) 1.000 0.030(2) . .
O124 O Uani 0.8509(7) 0.38072(19) 0.4211(3) 1.000 0.029(2) . .
O126 O Uani 0.9978(6) 0.46983(19) 0.4103(2) 1.000 0.030(2) . .
O128 O Uani 0.8772(6) 0.53387(19) 0.3036(2) 1.000 0.029(2) . .
O130 O Uani 1.0516(6) 0.4378(2) 0.3145(2) 1.000 0.031(2) . .
O132 O Uani 0.9497(6) 0.4865(2) 0.2067(2) 1.000 0.030(2) . .
O134 O Uani 0.6971(7) 0.45437(19) 0.1061(3) 1.000 0.031(2) . .
O136 O Uani 0.5465(6) 0.3672(2) 0.1161(2) 1.000 0.030(2) . .
O138 O Uani 0.6593(6) 0.30376(19) 0.2209(2) 1.000 0.028(2) . .
O140 O Uani 0.4891(6) 0.39979(19) 0.2116(2) 1.000 0.027(2) . .
N19 N Uani 0.7709(8) 0.2589(3) 0.3350(3) 1.000 0.030(3) . .
N39 N Uani 0.7598(8) 0.5788(2) 0.1837(3) 1.000 0.031(3) . .
N59 N Uani 0.6712(8) 0.4729(3) 0.3874(3) 1.000 0.031(3) . .
N79 N Uani 0.8707(8) 0.3637(2) 0.1392(3) 1.000 0.031(3) . .
C11 C Uani 0.7002(10) 0.2438(3) 0.4317(4) 1.000 0.028(3) . .
C12 C Uani 0.6832(10) 0.2084(3) 0.3903(4) 1.000 0.032(3) . .
C13 C Uani 0.6299(11) 0.1613(3) 0.3970(4) 1.000 0.040(4) . .
C14 C Uani 0.5926(11) 0.1514(3) 0.4407(4) 1.000 0.040(4) . .
C15 C Uani 0.6122(11) 0.1860(4) 0.4820(4) 1.000 0.045(4) . .
C16 C Uani 0.6632(11) 0.2322(3) 0.4771(4) 1.000 0.038(4) . .
C18 C Uani 0.7212(10) 0.2175(3) 0.3432(4) 1.000 0.036(4) . .
C21 C Uani 0.7551(12) 0.1805(3) 0.2651(4) 1.000 0.048(4) . .
C31 C Uani 0.8433(10) 0.5878(3) 0.0889(4) 1.000 0.031(3) . .
C32 C Uani 0.8325(10) 0.6278(3) 0.1212(4) 1.000 0.031(3) . .
C33 C Uani 0.8668(11) 0.6749(3) 0.1085(4) 1.000 0.042(4) . .
C34 C Uani 0.9200(10) 0.6822(3) 0.0682(4) 1.000 0.038(4) . .
C35 C Uani 0.9393(10) 0.6430(3) 0.0385(4) 1.000 0.038(4) . .
C36 C Uani 0.9004(10) 0.5967(3) 0.0479(4) 1.000 0.034(3) . .
C38 C Uani 0.7913(11) 0.6213(3) 0.1690(4) 1.000 0.038(4) . .
C41 C Uani 0.7471(12) 0.6613(3) 0.2427(4) 1.000 0.051(4) . .
C51 C Uani 0.6451(11) 0.5779(3) 0.3890(4) 1.000 0.038(4) . .
C52 C Uani 0.5553(10) 0.5456(3) 0.4032(4) 1.000 0.029(3) . .
C53 C Uani 0.4372(11) 0.5636(3) 0.4147(4) 1.000 0.041(4) . .
C54 C Uani 0.4029(12) 0.6120(4) 0.4107(4) 1.000 0.049(4) . .
C55 C Uani 0.4877(12) 0.6441(4) 0.3957(4) 1.000 0.046(4) . .
C56 C Uani 0.6062(11) 0.6275(3) 0.3852(4) 1.000 0.040(4) . .
C58 C Uani 0.5843(10) 0.4927(3) 0.4071(4) 1.000 0.031(3) . .
C61 C Uani 0.5218(11) 0.4170(3) 0.4349(4) 1.000 0.042(4) . .
C71 C Uani 0.8822(11) 0.2590(3) 0.1297(4) 1.000 0.033(3) . .
C72 C Uani 0.9708(10) 0.2918(3) 0.1147(4) 1.000 0.030(3) . .
C73 C Uani 1.0725(11) 0.2735(3) 0.0939(4) 1.000 0.044(4) . .
C74 C Uani 1.0926(11) 0.2249(3) 0.0896(5) 1.000 0.049(4) . .
C75 C Uani 1.0087(12) 0.1927(4) 0.1066(4) 1.000 0.047(4) . .
C76 C Uani 0.9051(10) 0.2090(3) 0.1257(4) 1.000 0.033(3) . .
C78 C Uani 0.9513(10) 0.3447(3) 0.1166(4) 1.000 0.030(3) . .
C81 C Uani 1.0260(11) 0.4221(3) 0.0947(4) 1.000 0.042(4) . .
C91 C Uani 1.1665(11) 0.3305(3) 0.4319(4) 1.000 0.037(4) . .
C92 C Uani 1.3248(10) 0.3085(3) 0.4558(4) 1.000 0.048(4) . .
C101 C Uani 0.3772(11) 0.5056(4) 0.0906(4) 1.000 0.031(3) . .
C102 C Uani 0.2187(10) 0.5257(3) 0.0648(4) 1.000 0.042(4) . .
C111 C Uani 1.0750(11) 0.2781(3) 0.2768(4) 1.000 0.049(4) . .
C113 C Uani 0.4649(12) 0.5613(4) 0.2451(5) 1.000 0.052(4) . .
C121 C Uani 0.4591(10) 0.3245(3) 0.3056(4) 1.000 0.038(4) . .
C123 C Uani 0.9238(11) 0.3823(3) 0.4816(4) 1.000 0.038(4) . .
C125 C Uani 1.1314(11) 0.4816(4) 0.4576(4) 1.000 0.049(4) . .
C127 C Uani 1.0185(11) 0.5583(3) 0.3360(4) 1.000 0.040(4) . .
C129 C Uani 1.1712(10) 0.4175(3) 0.3048(4) 1.000 0.041(4) . .
C131 C Uani 1.0853(10) 0.5142(3) 0.2216(4) 1.000 0.040(4) . .
C133 C Uani 0.6256(11) 0.4499(3) 0.0451(4) 1.000 0.038(4) . .
C135 C Uani 0.4058(10) 0.3539(3) 0.0713(4) 1.000 0.042(4) . .
C137 C Uani 0.5148(10) 0.2807(3) 0.1883(4) 1.000 0.043(4) . .
C139 C Uani 0.3709(11) 0.4205(4) 0.2223(4) 1.000 0.045(4) . .
H3 H Uiso 0.93240 0.33490 0.31320 1.000 0.0310 calc R
H4 H Uiso 0.60900 0.50370 0.21080 1.000 0.0310 calc R
H10A H Uiso 0.22180 0.56030 0.05650 1.000 0.0630 calc R
H10B H Uiso 0.17390 0.52170 0.09200 1.000 0.0630 calc R
H10C H Uiso 0.15690 0.50830 0.02930 1.000 0.0630 calc R
H11A H Uiso 1.01160 0.24930 0.27190 1.000 0.0740 calc R
H11B H Uiso 1.14650 0.28150 0.31730 1.000 0.0740 calc R
H11C H Uiso 1.13170 0.27460 0.25360 1.000 0.0740 calc R
H11D H Uiso 0.38430 0.56090 0.25820 1.000 0.0790 calc R
H11E H Uiso 0.41910 0.56210 0.20310 1.000 0.0790 calc R
H11F H Uiso 0.52880 0.59000 0.26040 1.000 0.0790 calc R
H12A H Uiso 0.38840 0.34350 0.31530 1.000 0.0580 calc R
H12B H Uiso 0.48360 0.29410 0.32740 1.000 0.0580 calc R
H12C H Uiso 0.41180 0.31730 0.26450 1.000 0.0580 calc R
H12D H Uiso 0.87040 0.36080 0.49710 1.000 0.0570 calc R
H12E H Uiso 0.92200 0.41560 0.49460 1.000 0.0570 calc R
H12F H Uiso 1.02940 0.37150 0.49510 1.000 0.0570 calc R
H12G H Uiso 1.21620 0.46360 0.45600 1.000 0.0740 calc R
H12H H Uiso 1.12230 0.47310 0.49270 1.000 0.0740 calc R
H12I H Uiso 1.15040 0.51650 0.45740 1.000 0.0740 calc R
H12J H Uiso 1.01440 0.57460 0.36890 1.000 0.0600 calc R
H12K H Uiso 1.03600 0.58240 0.31160 1.000 0.0600 calc R
H12L H Uiso 1.10160 0.53460 0.34950 1.000 0.0600 calc R
H12M H Uiso 1.13500 0.41020 0.26390 1.000 0.0630 calc R
H12N H Uiso 1.20620 0.38750 0.32710 1.000 0.0630 calc R
H12O H Uiso 1.25560 0.44070 0.31670 1.000 0.0630 calc R
H13 H Uiso 0.62060 0.13650 0.37020 1.000 0.0480 calc R
H13A H Uiso 1.06280 0.54880 0.22290 1.000 0.0600 calc R
H13B H Uiso 1.12400 0.50900 0.19290 1.000 0.0600 calc R
H13C H Uiso 1.16200 0.50390 0.25930 1.000 0.0600 calc R
H13D H Uiso 0.51540 0.45370 0.03100 1.000 0.0570 calc R
H13E H Uiso 0.64790 0.41780 0.03410 1.000 0.0570 calc R
H13F H Uiso 0.66450 0.47510 0.02810 1.000 0.0570 calc R
H13G H Uiso 0.32320 0.36400 0.08080 1.000 0.0620 calc R
H13H H Uiso 0.40240 0.31860 0.06610 1.000 0.0620 calc R
H13I H Uiso 0.39390 0.36980 0.03570 1.000 0.0620 calc R
H13J H Uiso 0.43510 0.30550 0.17290 1.000 0.0650 calc R
H13K H Uiso 0.49180 0.25860 0.21320 1.000 0.0650 calc R
H13L H Uiso 0.51900 0.26230 0.15660 1.000 0.0650 calc R
H13M H Uiso 0.29150 0.39620 0.21530 1.000 0.0680 calc R
H13N H Uiso 0.32760 0.44830 0.19680 1.000 0.0680 calc R
H13O H Uiso 0.41190 0.43140 0.26230 1.000 0.0680 calc R
H14 H Uiso 0.55260 0.12040 0.44290 1.000 0.0470 calc R
H15 H Uiso 0.59100 0.17830 0.51360 1.000 0.0540 calc R
H16 H Uiso 0.67310 0.25630 0.50480 1.000 0.0460 calc R
H19 H Uiso 0.78830 0.26050 0.30440 1.000 0.0360 calc R
H21A H Uiso 0.70820 0.20710 0.23790 1.000 0.0710 calc R
H21B H Uiso 0.73240 0.14950 0.24450 1.000 0.0710 calc R
H21C H Uiso 0.86550 0.18530 0.28440 1.000 0.0710 calc R
H33 H Uiso 0.85250 0.70190 0.12830 1.000 0.0500 calc R
H34 H Uiso 0.94370 0.71410 0.06060 1.000 0.0460 calc R
H35 H Uiso 0.97960 0.64800 0.01140 1.000 0.0450 calc R
H36 H Uiso 0.91230 0.57030 0.02650 1.000 0.0410 calc R
H39 H Uiso 0.75030 0.57800 0.21600 1.000 0.0380 calc R
H41A H Uiso 0.63650 0.65680 0.22470 1.000 0.0750 calc R
H41B H Uiso 0.77220 0.69210 0.26360 1.000 0.0750 calc R
H41C H Uiso 0.79530 0.63460 0.26950 1.000 0.0750 calc R
H53 H Uiso 0.37930 0.54160 0.42570 1.000 0.0490 calc R
H54 H Uiso 0.32130 0.62340 0.41820 1.000 0.0590 calc R
H55 H Uiso 0.46440 0.67770 0.39270 1.000 0.0550 calc R
H56 H Uiso 0.66370 0.65020 0.37500 1.000 0.0480 calc R
H59 H Uiso 0.68460 0.44140 0.39250 1.000 0.0380 calc R
H61A H Uiso 0.50180 0.40410 0.39700 1.000 0.0630 calc R
H61B H Uiso 0.44710 0.40390 0.44710 1.000 0.0630 calc R
H61C H Uiso 0.62430 0.40770 0.46260 1.000 0.0630 calc R
H73 H Uiso 1.12860 0.29570 0.08240 1.000 0.0520 calc R
H74 H Uiso 1.16180 0.21320 0.07560 1.000 0.0590 calc R
H75 H Uiso 1.02350 0.15880 0.10480 1.000 0.0570 calc R
H76 H Uiso 0.84850 0.18630 0.13620 1.000 0.0390 calc R
H79 H Uiso 0.86310 0.39550 0.13690 1.000 0.0370 calc R
H81A H Uiso 0.92720 0.43400 0.06670 1.000 0.0630 calc R
H81B H Uiso 1.10660 0.43500 0.08560 1.000 0.0630 calc R
H81C H Uiso 1.04320 0.43270 0.13320 1.000 0.0630 calc R
H92A H Uiso 1.38930 0.32420 0.49230 1.000 0.0720 calc R
H92B H Uiso 1.36860 0.31350 0.42850 1.000 0.0720 calc R
H92C H Uiso 1.31860 0.27370 0.46210 1.000 0.0720 calc R
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
Mn1 O3 1.933(6) . . yes
Mn1 O17 1.862(7) . . yes
Mn1 O93 2.217(8) . . yes
Mn1 O122 2.236(7) . . yes
Mn1 O124 1.923(6) . . yes
Mn1 N19 1.996(8) . . yes
Mn2 O1 2.295(5) . . yes
Mn2 O2 1.957(6) . . yes
Mn2 O3 1.952(6) . . yes
Mn2 O122 1.889(7) . . yes
Mn2 O138 2.260(5) . . yes
Mn2 O140 1.881(6) . . yes
Mn3 O1 2.000(6) . . yes
Mn3 O3 1.907(5) . . yes
Mn3 O94 2.012(7) . . yes
Mn3 O124 2.164(7) . . yes
Mn3 O126 1.883(5) . . yes
Mn3 O130 2.150(6) . . yes
Mn4 O4 1.935(6) . . yes
Mn4 O37 1.875(7) . . yes
Mn4 O103 2.218(8) . . yes
Mn4 O132 2.216(6) . . yes
Mn4 O134 1.893(6) . . yes
Mn4 N39 1.994(6) . . yes
Mn5 O1 1.967(6) . . yes
Mn5 O2 2.305(5) . . yes
Mn5 O4 1.952(6) . . yes
Mn5 O128 2.249(5) . . yes
Mn5 O130 1.886(6) . . yes
Mn5 O132 1.895(6) . . yes
Mn6 O2 1.986(5) . . yes
Mn6 O4 1.924(5) . . yes
Mn6 O104 1.999(6) . . yes
Mn6 O134 2.166(7) . . yes
Mn6 O136 1.868(6) . . yes
Mn6 O140 2.154(6) . . yes
Mn7 O1 1.911(5) . . yes
Mn7 O57 1.885(6) . . yes
Mn7 O114 2.331(7) . . yes
Mn7 O126 2.273(6) . . yes
Mn7 O128 1.916(6) . . yes
Mn7 N59 2.000(8) . . yes
Mn8 O2 1.921(5) . . yes
Mn8 O77 1.885(6) . . yes
Mn8 O112 2.284(7) . . yes
Mn8 O136 2.238(6) . . yes
Mn8 O138 1.919(6) . . yes
Mn8 N79 1.984(8) . . yes
O17 C11 1.339(10) . . yes
O20 C18 1.338(11) . . yes
O20 C21 1.444(13) . . yes
O37 C31 1.309(10) . . yes
O40 C38 1.338(11) . . yes
O40 C41 1.447(14) . . yes
O57 C51 1.327(14) . . yes
O60 C58 1.330(12) . . yes
O60 C61 1.434(10) . . yes
O77 C71 1.336(13) . . yes
O80 C78 1.345(12) . . yes
O80 C81 1.443(10) . . yes
O93 C91 1.253(13) . . yes
O94 C91 1.271(10) . . yes
O103 C101 1.244(13) . . yes
O3 H3 1.0000 . . no
O104 C101 1.292(12) . . yes
O4 H4 1.0000 . . no
O112 C111 1.402(11) . . yes
O114 C113 1.408(13) . . yes
O122 C121 1.409(12) . . yes
O124 C123 1.412(12) . . yes
O126 C125 1.386(12) . . yes
O128 C127 1.434(12) . . yes
O130 C129 1.411(12) . . yes
O132 C131 1.428(12) . . yes
O134 C133 1.428(12) . . yes
O136 C135 1.409(11) . . yes
O138 C137 1.440(11) . . yes
O140 C139 1.417(13) . . yes
N19 C18 1.293(12) . . yes
N39 C38 1.308(11) . . yes
N59 C58 1.284(13) . . yes
N79 C78 1.277(13) . . yes
N19 H19 0.8800 . . no
N39 H39 0.8800 . . no
N59 H59 0.8800 . . no
N79 H79 0.8800 . . no
C11 C12 1.404(13) . . no
C11 C16 1.406(14) . . no
C12 C18 1.440(14) . . no
C12 C13 1.436(13) . . no
C13 C14 1.356(15) . . no
C14 C15 1.382(14) . . no
C15 C16 1.393(14) . . no
C31 C32 1.414(13) . . no
C31 C36 1.416(14) . . no
C32 C38 1.467(14) . . no
C32 C33 1.414(12) . . no
C33 C34 1.365(15) . . no
C34 C35 1.385(13) . . no
C35 C36 1.382(12) . . no
C51 C52 1.404(14) . . no
C51 C56 1.411(12) . . no
C52 C53 1.399(15) . . no
C52 C58 1.480(12) . . no
C53 C54 1.368(14) . . no
C54 C55 1.376(17) . . no
C55 C56 1.375(17) . . no
C71 C76 1.407(12) . . no
C71 C72 1.416(14) . . no
C72 C73 1.410(15) . . no
C72 C78 1.474(12) . . no
C73 C74 1.365(12) . . no
C74 C75 1.401(16) . . no
C75 C76 1.378(16) . . no
C91 C92 1.519(15) . . no
C101 C102 1.500(15) . . no
C13 H13 0.9500 . . no
C14 H14 0.9500 . . no
C15 H15 0.9500 . . no
C16 H16 0.9500 . . no
C21 H21A 0.9800 . . no
C21 H21B 0.9800 . . no
C21 H21C 0.9800 . . no
C33 H33 0.9500 . . no
C34 H34 0.9500 . . no
C35 H35 0.9500 . . no
C36 H36 0.9500 . . no
C41 H41A 0.9800 . . no
C41 H41B 0.9800 . . no
C41 H41C 0.9800 . . no
C53 H53 0.9500 . . no
C54 H54 0.9500 . . no
C55 H55 0.9500 . . no
C56 H56 0.9500 . . no
C61 H61A 0.9800 . . no
C61 H61B 0.9800 . . no
C61 H61C 0.9800 . . no
C73 H73 0.9500 . . no
C74 H74 0.9500 . . no
C75 H75 0.9500 . . no
C76 H76 0.9500 . . no
C81 H81A 0.9800 . . no
C81 H81B 0.9800 . . no
C81 H81C 0.9800 . . no
C92 H92A 0.9800 . . no
C92 H92B 0.9800 . . no
C92 H92C 0.9800 . . no
C102 H10A 0.9800 . . no
C102 H10B 0.9800 . . no
C102 H10C 0.9800 . . no
C111 H11A 0.9800 . . no
C111 H11B 0.9800 . . no
C111 H11C 0.9800 . . no
C113 H11D 0.9800 . . no
C113 H11E 0.9800 . . no
C113 H11F 0.9800 . . no
C121 H12A 0.9800 . . no
C121 H12B 0.9800 . . no
C121 H12C 0.9800 . . no
C123 H12D 0.9800 . . no
C123 H12E 0.9800 . . no
C123 H12F 0.9800 . . no
C125 H12G 0.9800 . . no
C125 H12H 0.9800 . . no
C125 H12I 0.9800 . . no
C127 H12J 0.9800 . . no
C127 H12K 0.9800 . . no
C127 H12L 0.9800 . . no
C129 H12M 0.9800 . . no
C129 H12N 0.9800 . . no
C129 H12O 0.9800 . . no
C131 H13A 0.9800 . . no
C131 H13B 0.9800 . . no
C131 H13C 0.9800 . . no
C133 H13D 0.9800 . . no
C133 H13E 0.9800 . . no
C133 H13F 0.9800 . . no
C135 H13G 0.9800 . . no
C135 H13H 0.9800 . . no
C135 H13I 0.9800 . . no
C137 H13J 0.9800 . . no
C137 H13K 0.9800 . . no
C137 H13L 0.9800 . . no
C139 H13M 0.9800 . . no
C139 H13N 0.9800 . . no
C139 H13O 0.9800 . . no
