#------------------------------------------------------------------------------
#$Date: 2017-09-25 01:57:27 +0300 (Mon, 25 Sep 2017) $
#$Revision: 201210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/05/4100590.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_4100590
_publ_section_title
;
Crystal and molecular structure of ca170105
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja052411r
_journal_year                    2005
_chemical_formula_sum            'C207 H200 N12 O8 P4'
_chemical_formula_weight         3107.849
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.9746(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.74110(10)
_cell_length_b                   28.5619(3)
_cell_length_c                   19.5010(2)
_cell_measurement_temperature    150
_cell_volume                     8647.12(14)
_exptl_crystal_density_diffrn    1.194
_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'
_cod_database_code               4100590
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
'-X,+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P35 P 0.24529(8) -0.03282(5) -0.17089(7) 0.0500(3) Uani 1 1 d . . .
P84 P -0.01856(7) 0.26699(4) -0.29643(6) 0.0399(3) Uani 1 1 d . . .
P135 P -0.22878(7) -0.05483(4) -0.67507(6) 0.0352(2) Uani 1 1 d . . .
P184 P -0.48665(7) 0.25996(4) -0.79937(7) 0.0441(3) Uani 1 1 d . . .
O25 O 0.5083(2) 0.24128(10) -0.01703(16) 0.0484(8) Uani 1 1 d . . .
O48 O 0.5549(2) 0.01685(13) -0.37098(19) 0.0584(9) Uani 1 1 d . . .
O76 O 0.40101(16) 0.13422(10) -0.33434(14) 0.0368(6) Uani 1 1 d . . .
O97 O -0.23787(19) 0.04339(11) -0.50283(18) 0.0504(8) Uani 1 1 d . . .
O125 O -0.02042(18) 0.23388(10) -0.53154(14) 0.0371(6) Uani 1 1 d . . .
O148 O 0.0892(2) 0.01319(13) -0.86134(19) 0.0585(9) Uani 1 1 d . . .
O174 O -0.08540(16) 0.12000(10) -0.83912(14) 0.0354(6) Uani 1 1 d . . .
O197 O -0.7225(2) 0.03298(12) -0.9741(2) 0.0550(8) Uani 1 1 d . . .
N2 N 0.40455(19) 0.10597(11) -0.18967(17) 0.0312(7) Uani 1 1 d . . .
N3 N 0.36983(19) 0.06469(11) -0.22642(17) 0.0324(7) Uani 1 1 d . . .
N34 N 0.4929(2) 0.14608(11) -0.08657(17) 0.0323(7) Uani 1 1 d . . .
N51 N 0.08523(19) 0.15680(11) -0.41417(17) 0.0313(7) Uani 1 1 d . . .
N52 N 0.00639(19) 0.17170(11) -0.41433(17) 0.0314(7) Uani 1 1 d . . .
N83 N 0.2213(2) 0.12699(12) -0.35554(17) 0.0329(7) Uani 1 1 d . . .
N102 N -0.09076(19) 0.09383(11) -0.69576(17) 0.0307(7) Uani 1 1 d . . .
N103 N -0.11797(19) 0.05104(11) -0.73097(17) 0.0319(7) Uani 1 1 d . . .
N134 N -0.01517(19) 0.13778(10) -0.59300(17) 0.0297(7) Uani 1 1 d . . .
N151 N -0.3890(2) 0.15561(11) -0.91095(17) 0.0324(7) Uani 1 1 d . . .
N152 N -0.4660(2) 0.17137(12) -0.91036(17) 0.0327(7) Uani 1 1 d . . .
N183 N -0.26526(19) 0.11274(11) -0.86241(17) 0.0313(7) Uani 1 1 d . . .
C1 C 0.4596(2) 0.10468(13) -0.1207(2) 0.0277(8) Uani 1 1 d . . .
C4 C 0.3922(2) 0.02396(13) -0.1952(2) 0.0294(8) Uani 1 1 d . . .
C5 C 0.4773(3) -0.02364(14) -0.0839(2) 0.0387(9) Uani 1 1 d . . .
C6 C 0.5349(3) -0.02545(15) -0.0117(2) 0.0452(10) Uani 1 1 d . . .
C7 C 0.5687(3) 0.01548(15) 0.0267(2) 0.0419(10) Uani 1 1 d . . .
C8 C 0.5447(3) 0.05835(15) -0.0070(2) 0.0375(9) Uani 1 1 d . . .
C9 C 0.4860(2) 0.06077(13) -0.0810(2) 0.0300(8) Uani 1 1 d . . .
C10 C 0.4525(2) 0.01980(13) -0.1195(2) 0.0318(8) Uani 1 1 d . . .
C11 C 0.3590(3) -0.01836(14) -0.2433(2) 0.0348(9) Uani 1 1 d . . .
C12 C 0.2959(3) -0.04713(15) -0.2370(2) 0.0432(10) Uani 1 1 d . . .
C13 C 0.2706(3) -0.08745(18) -0.2833(3) 0.0581(13) Uani 1 1 d . . .
C14 C 0.3091(3) -0.09842(17) -0.3300(3) 0.0565(13) Uani 1 1 d . . .
C15 C 0.4154(3) -0.08103(18) -0.3885(3) 0.0558(12) Uani 1 1 d . . .
C16 C 0.4746(3) -0.05320(19) -0.3961(3) 0.0547(12) Uani 1 1 d . . .
C17 C 0.4968(3) -0.01046(18) -0.3560(3) 0.0484(11) Uani 1 1 d . . .
C18 C 0.4619(3) 0.00071(15) -0.3047(2) 0.0383(9) Uani 1 1 d . . .
C19 C 0.3995(3) -0.02898(15) -0.2954(2) 0.0386(9) Uani 1 1 d . . .
C20 C 0.3732(3) -0.07018(16) -0.3380(3) 0.0456(10) Uani 1 1 d . . .
C21 C 0.4467(3) 0.23003(15) -0.0892(2) 0.0419(10) Uani 1 1 d . . .
C22 C 0.4821(2) 0.19114(14) -0.1262(2) 0.0338(9) Uani 1 1 d . . .
C23 C 0.3649(3) 0.21380(19) -0.0807(3) 0.0573(13) Uani 1 1 d . . .
C24 C 0.2874(4) 0.2081(3) -0.1484(4) 0.089(2) Uani 1 1 d . . .
C26 C 0.4342(3) 0.27490(15) -0.1359(3) 0.0506(12) Uani 1 1 d . . .
C27 C 0.4020(4) 0.31634(19) -0.1063(3) 0.0707(16) Uani 1 1 d . . .
C28 C 0.5662(2) 0.20134(14) -0.1379(2) 0.0349(9) Uani 1 1 d . . .
C29 C 0.6358(3) 0.22548(15) -0.0871(2) 0.0420(10) Uani 1 1 d . . .
C30 C 0.7103(3) 0.23184(19) -0.1007(3) 0.0540(12) Uani 1 1 d . . .
C31 C 0.7191(3) 0.2120(2) -0.1633(3) 0.0733(17) Uani 1 1 d . . .
C32 C 0.6515(3) 0.1863(2) -0.2128(3) 0.0672(15) Uani 1 1 d . . .
C33 C 0.5750(3) 0.1824(2) -0.2009(3) 0.0560(13) Uani 1 1 d . . .
C36 C 0.2692(4) -0.08389(19) -0.1094(3) 0.0634(14) Uani 1 1 d . . .
C37 C 0.2328(5) -0.0837(2) -0.0552(3) 0.085(2) Uani 1 1 d . . .
C38 C 0.2533(7) -0.1182(3) -0.0025(4) 0.114(3) Uani 1 1 d . . .
C39 C 0.3114(6) -0.1531(3) -0.0003(4) 0.105(3) Uani 1 1 d . . .
C40 C 0.3465(5) -0.1535(2) -0.0520(4) 0.092(2) Uani 1 1 d . . .
C41 C 0.3266(4) -0.1191(2) -0.1075(4) 0.0783(18) Uani 1 1 d . . .
C42 C 0.1314(3) -0.0414(2) -0.2296(3) 0.0638(15) Uani 1 1 d . . .
C43 C 0.0858(4) -0.0834(3) -0.2375(4) 0.093(2) Uani 1 1 d . . .
C44 C -0.0007(5) -0.0845(4) -0.2874(5) 0.107(3) Uani 1 1 d . . .
C45 C -0.0401(5) -0.0459(4) -0.3273(4) 0.111(3) Uani 1 1 d . . .
C46 C 0.0037(5) -0.0043(4) -0.3199(4) 0.103(3) Uani 1 1 d . . .
C47 C 0.0885(4) -0.0030(3) -0.2719(3) 0.0837(19) Uani 1 1 d . . .
C49 C 0.5754(4) 0.0600(2) -0.3338(3) 0.0696(15) Uani 1 1 d . . .
C50 C 0.1430(2) 0.13851(13) -0.3537(2) 0.0302(8) Uani 1 1 d . . .
C53 C -0.0120(2) 0.16740(14) -0.3555(2) 0.0313(8) Uani 1 1 d . . .
C54 C 0.0266(3) 0.14203(17) -0.2246(2) 0.0447(10) Uani 1 1 d . . .
C55 C 0.0842(3) 0.1219(2) -0.1630(3) 0.0596(14) Uani 1 1 d . . .
C56 C 0.1626(3) 0.1047(2) -0.1619(3) 0.0709(17) Uani 1 1 d . . .
C57 C 0.1837(3) 0.1105(2) -0.2229(3) 0.0600(14) Uani 1 1 d . . .
C58 C 0.1259(2) 0.13106(15) -0.2866(2) 0.0353(9) Uani 1 1 d . . .
C59 C 0.0454(2) 0.14682(14) -0.2879(2) 0.0324(8) Uani 1 1 d . . .
C60 C -0.1001(2) 0.18412(13) -0.3621(2) 0.0302(8) Uani 1 1 d . . .
C61 C -0.1111(2) 0.22640(14) -0.3337(2) 0.0364(9) Uani 1 1 d . . .
C62 C -0.1946(3) 0.23980(15) -0.3369(2) 0.0400(9) Uani 1 1 d . . .
C63 C -0.2633(3) 0.21172(16) -0.3681(2) 0.0424(10) Uani 1 1 d . . .
C64 C -0.3270(3) 0.13894(16) -0.4354(3) 0.0448(10) Uani 1 1 d . . .
C65 C -0.3189(3) 0.09752(17) -0.4678(3) 0.0484(11) Uani 1 1 d . . .
C66 C -0.2380(3) 0.08414(15) -0.4666(2) 0.0400(10) Uani 1 1 d . . .
C67 C -0.1661(2) 0.11160(14) -0.4316(2) 0.0333(9) Uani 1 1 d . . .
C68 C -0.1732(2) 0.15418(14) -0.3979(2) 0.0314(8) Uani 1 1 d . . .
C69 C -0.2555(2) 0.16809(15) -0.3999(2) 0.0377(9) Uani 1 1 d . . .
C70 C 0.2486(2) 0.14135(14) -0.4150(2) 0.0315(8) Uani 1 1 d . . .
C71 C 0.3380(2) 0.16617(14) -0.3812(2) 0.0346(9) Uani 1 1 d . . .
C72 C 0.3320(3) 0.20860(16) -0.3355(2) 0.0456(10) Uani 1 1 d . . .
C73 C 0.2704(4) 0.24724(17) -0.3770(3) 0.0642(14) Uani 1 1 d . . .
C74 C 0.3711(3) 0.17842(17) -0.4412(2) 0.0440(10) Uani 1 1 d . . .
C75 C 0.4551(3) 0.2060(2) -0.4157(3) 0.0618(14) Uani 1 1 d . . .
C77 C 0.2467(2) 0.10103(14) -0.4659(2) 0.0333(9) Uani 1 1 d . . .
C78 C 0.2804(3) 0.05711(15) -0.4395(2) 0.0393(9) Uani 1 1 d . . .
C79 C 0.2748(3) 0.02036(16) -0.4885(3) 0.0482(11) Uani 1 1 d . . .
C80 C 0.2356(3) 0.02755(16) -0.5641(3) 0.0471(11) Uani 1 1 d . . .
C81 C 0.2021(3) 0.07129(16) -0.5910(2) 0.0453(10) Uani 1 1 d . . .
C82 C 0.2081(2) 0.10713(15) -0.5426(2) 0.0354(9) Uani 1 1 d . . .
C85 C -0.0039(3) 0.27301(16) -0.1994(3) 0.0486(11) Uani 1 1 d . . .
C86 C -0.0657(4) 0.2874(2) -0.1707(3) 0.0729(17) Uani 1 1 d . . .
C87 C -0.0464(5) 0.2884(3) -0.0942(3) 0.089(2) Uani 1 1 d . . .
C88 C 0.0357(5) 0.2775(2) -0.0454(3) 0.081(2) Uani 1 1 d . . .
C89 C 0.0970(5) 0.2663(2) -0.0719(4) 0.090(2) Uani 1 1 d . . .
C90 C 0.0781(4) 0.2643(2) -0.1477(3) 0.0720(16) Uani 1 1 d . . .
C91 C -0.0749(3) 0.32031(15) -0.3402(2) 0.0380(9) Uani 1 1 d . . .
C92 C -0.1173(3) 0.32044(18) -0.4171(3) 0.0520(12) Uani 1 1 d . . .
C93 C -0.1599(3) 0.35910(18) -0.4550(3) 0.0562(12) Uani 1 1 d . . .
C94 C -0.1606(3) 0.39934(18) -0.4185(3) 0.0606(13) Uani 1 1 d . . .
C95 C -0.1170(3) 0.40119(17) -0.3423(3) 0.0582(13) Uani 1 1 d . . .
C96 C -0.0746(3) 0.36185(16) -0.3026(3) 0.0511(12) Uani 1 1 d . . .
C101 C -0.0394(2) 0.09499(12) -0.62539(19) 0.0263(8) Uani 1 1 d . . .
C104 C -0.0905(2) 0.01187(13) -0.6973(2) 0.0292(8) Uani 1 1 d . . .
C105 C -0.0048(2) -0.03250(14) -0.5827(2) 0.0351(9) Uani 1 1 d . . .
C106 C 0.0466(3) -0.03198(15) -0.5084(2) 0.0398(9) Uani 1 1 d . . .
C107 C 0.0720(3) 0.01009(15) -0.4715(2) 0.0374(9) Uani 1 1 d . . .
C108 C 0.0457(2) 0.05224(14) -0.5071(2) 0.0309(8) Uani 1 1 d . . .
C109 C -0.0082(2) 0.05239(13) -0.5826(2) 0.0293(8) Uani 1 1 d . . .
C110 C -0.0336(2) 0.00971(13) -0.6207(2) 0.0300(8) Uani 1 1 d . . .
C111 C -0.1166(2) -0.03146(13) -0.7453(2) 0.0317(8) Uani 1 1 d . . .
C112 C -0.1773(3) -0.06342(14) -0.7420(2) 0.0362(9) Uani 1 1 d . . .
C113 C -0.1969(3) -0.10251(15) -0.7904(2) 0.0454(10) Uani 1 1 d . . .
C114 C -0.1575(3) -0.11020(17) -0.8376(3) 0.0479(11) Uani 1 1 d . . .
C115 C -0.0491(3) -0.08753(18) -0.8898(3) 0.0542(12) Uani 1 1 d . . .
C116 C 0.0105(3) -0.05667(19) -0.8941(3) 0.0554(12) Uani 1 1 d . . .
C117 C 0.0290(3) -0.01515(18) -0.8511(3) 0.0486(11) Uani 1 1 d . . .
C118 C -0.0106(3) -0.00705(16) -0.8018(2) 0.0375(9) Uani 1 1 d . . .
C119 C -0.0735(2) -0.03835(14) -0.7961(2) 0.0341(9) Uani 1 1 d . . .
C120 C -0.0945(3) -0.07954(16) -0.8416(2) 0.0426(10) Uani 1 1 d . . .
C121 C -0.0296(2) 0.18202(13) -0.6353(2) 0.0316(8) Uani 1 1 d . . .
C122 C -0.0752(2) 0.21908(14) -0.6042(2) 0.0343(9) Uani 1 1 d . . .
C123 C -0.0906(3) 0.26267(14) -0.6540(2) 0.0377(9) Uani 1 1 d . . .
C124 C -0.1345(3) 0.30323(15) -0.6300(3) 0.0482(11) Uani 1 1 d . . .
C126 C -0.1575(3) 0.19967(15) -0.5998(2) 0.0381(9) Uani 1 1 d . . .
C127 C -0.2292(3) 0.18592(17) -0.6716(3) 0.0486(11) Uani 1 1 d . . .
C128 C 0.0545(2) 0.19681(14) -0.6422(2) 0.0341(9) Uani 1 1 d . . .
C129 C 0.1147(3) 0.22556(14) -0.5927(2) 0.0387(9) Uani 1 1 d . . .
C130 C 0.1913(3) 0.23798(17) -0.6023(3) 0.0491(11) Uani 1 1 d . . .
C98 C -0.1615(3) 0.0343(2) -0.5179(3) 0.0657(15) Uani 1 1 d . . .
C131 C 0.2090(3) 0.21837(19) -0.6607(3) 0.0546(12) Uani 1 1 d . . .
C132 C 0.1507(3) 0.1886(2) -0.7097(3) 0.0543(12) Uani 1 1 d . . .
C133 C 0.0739(3) 0.17784(16) -0.7008(2) 0.0418(10) Uani 1 1 d . . .
C136 C -0.3373(3) -0.07893(16) -0.7249(2) 0.0431(10) Uani 1 1 d . . .
C137 C -0.3693(3) -0.1177(2) -0.7004(3) 0.0581(13) Uani 1 1 d . . .
C138 C -0.4552(4) -0.1316(2) -0.7369(3) 0.0759(18) Uani 1 1 d . . .
C139 C -0.5082(4) -0.1067(3) -0.7997(4) 0.0769(17) Uani 1 1 d . . .
C140 C -0.4744(4) -0.0712(2) -0.8240(3) 0.0744(16) Uani 1 1 d . . .
C141 C -0.3909(3) -0.05568(19) -0.7877(3) 0.0597(13) Uani 1 1 d . . .
C142 C -0.1790(3) -0.10006(14) -0.6057(2) 0.0385(9) Uani 1 1 d . . .
C143 C -0.1270(3) -0.13641(15) -0.6125(3) 0.0462(11) Uani 1 1 d . . .
C144 C -0.0886(3) -0.16717(17) -0.5539(3) 0.0600(14) Uani 1 1 d . . .
C145 C -0.1025(4) -0.16239(18) -0.4890(3) 0.0611(14) Uani 1 1 d . . .
C146 C -0.1568(4) -0.12715(19) -0.4823(3) 0.0643(14) Uani 1 1 d . . .
C147 C -0.1932(3) -0.09579(17) -0.5404(3) 0.0527(12) Uani 1 1 d . . .
C149 C 0.1079(4) 0.0550(2) -0.8196(3) 0.0669(15) Uani 1 1 d . . .
C150 C -0.3410(2) 0.12719(13) -0.8584(2) 0.0284(8) Uani 1 1 d . . .
C153 C -0.4927(2) 0.15986(13) -0.8576(2) 0.0312(8) Uani 1 1 d . . .
C154 C -0.4718(3) 0.11601(16) -0.7408(2) 0.0416(10) Uani 1 1 d . . .
C155 C -0.4249(3) 0.08546(17) -0.6887(3) 0.0479(11) Uani 1 1 d . . .
C156 C -0.3505(3) 0.06501(17) -0.6917(2) 0.0453(11) Uani 1 1 d . . .
C157 C -0.3212(2) 0.07737(14) -0.7459(2) 0.0340(9) Uani 1 1 d . . .
C158 C -0.3671(2) 0.11027(13) -0.7993(2) 0.0276(8) Uani 1 1 d . . .
C159 C -0.4438(2) 0.12919(13) -0.7986(2) 0.0303(8) Uani 1 1 d . . .
C160 C -0.5783(2) 0.17964(13) -0.8636(2) 0.0315(8) Uani 1 1 d . . .
C161 C -0.5853(3) 0.22456(15) -0.8394(2) 0.0386(9) Uani 1 1 d . . .
C162 C -0.6676(3) 0.24149(17) -0.8475(3) 0.0476(11) Uani 1 1 d . . .
C163 C -0.7393(3) 0.21525(17) -0.8770(3) 0.0499(11) Uani 1 1 d . . .
C164 C -0.8085(3) 0.14027(18) -0.9346(3) 0.0479(11) Uani 1 1 d . . .
C165 C -0.8011(3) 0.09687(19) -0.9569(3) 0.0508(12) Uani 1 1 d . . .
C166 C -0.7217(3) 0.07796(16) -0.9501(2) 0.0423(10) Uani 1 1 d . . .
C167 C -0.6484(3) 0.10525(15) -0.9211(2) 0.0372(9) Uani 1 1 d . . .
C168 C -0.6532(2) 0.15085(14) -0.8962(2) 0.0329(8) Uani 1 1 d . . .
C169 C -0.7343(3) 0.16894(16) -0.9024(2) 0.0395(10) Uani 1 1 d . . .
C170 C -0.2368(2) 0.12766(14) -0.9209(2) 0.0313(8) Uani 1 1 d . . .
C171 C -0.1471(2) 0.15235(14) -0.8876(2) 0.0318(8) Uani 1 1 d . . .
C172 C -0.1533(3) 0.19563(15) -0.8436(2) 0.0377(9) Uani 1 1 d . . .
C173 C -0.2102(3) 0.23530(16) -0.8868(3) 0.0480(11) Uani 1 1 d . . .
C175 C -0.1149(3) 0.16281(16) -0.9492(2) 0.0392(9) Uani 1 1 d . . .
C176 C -0.0290(3) 0.19000(18) -0.9248(3) 0.0486(11) Uani 1 1 d . . .
C177 C -0.2416(2) 0.08750(15) -0.9735(2) 0.0347(9) Uani 1 1 d . . .
C178 C -0.2051(3) 0.04428(16) -0.9487(3) 0.0437(10) Uani 1 1 d . . .
C179 C -0.2094(4) 0.00792(18) -0.9977(3) 0.0586(13) Uani 1 1 d . . .
C180 C -0.2532(4) 0.0155(2) -1.0726(3) 0.0696(16) Uani 1 1 d . . .
C181 C -0.2902(4) 0.0580(2) -1.0980(3) 0.0629(14) Uani 1 1 d . . .
C182 C -0.2856(3) 0.09438(17) -1.0488(2) 0.0460(11) Uani 1 1 d . . .
C185 C -0.4675(3) 0.25665(16) -0.7012(3) 0.0479(11) Uani 1 1 d . . .
C186 C -0.5217(4) 0.2359(3) -0.6705(3) 0.091(2) Uani 1 1 d . . .
C187 C -0.5014(5) 0.2350(4) -0.5957(4) 0.118(3) Uani 1 1 d . . .
C188 C -0.4243(5) 0.2517(3) -0.5478(4) 0.097(2) Uani 1 1 d . . .
C189 C -0.3672(4) 0.2713(3) -0.5764(4) 0.0810(18) Uani 1 1 d . . .
C190 C -0.3886(3) 0.2729(2) -0.6517(3) 0.0658(14) Uani 1 1 d . . .
C191 C -0.5354(3) 0.31828(16) -0.8254(3) 0.0489(11) Uani 1 1 d . . .
C192 C -0.5410(3) 0.35187(16) -0.7758(3) 0.0526(12) Uani 1 1 d . . .
C193 C -0.5802(3) 0.39499(17) -0.8023(3) 0.0591(13) Uani 1 1 d . . .
C194 C -0.6132(4) 0.40354(19) -0.8770(4) 0.0689(15) Uani 1 1 d . . .
C195 C -0.6061(4) 0.37075(19) -0.9260(4) 0.0729(16) Uani 1 1 d . . .
C196 C -0.5690(4) 0.32825(18) -0.9009(3) 0.0667(15) Uani 1 1 d . . .
C198 C -0.6431(3) 0.01323(18) -0.9684(3) 0.0619(14) Uani 1 1 d . . .
C201 C 0.3750(6) 0.0386(4) 0.2979(6) 0.118(3) Uiso 1 1 d . . .
C202 C 0.4355(7) 0.0075(4) 0.3668(6) 0.135(3) Uiso 1 1 d . . .
C203 C 0.4588(6) 0.0274(3) 0.4303(5) 0.116(3) Uiso 1 1 d . . .
C204 C 0.4343(7) 0.0736(4) 0.4389(6) 0.139(3) Uiso 1 1 d . . .
C205 C 0.3849(9) 0.1016(5) 0.3839(8) 0.169(4) Uiso 1 1 d . . .
C206 C 0.3605(5) 0.0789(3) 0.3171(5) 0.103(2) Uiso 1 1 d . . .
C207 C 0.3519(11) 0.0142(6) 0.2311(9) 0.207(6) Uiso 1 1 d . . .
C210 C 0.2904(7) 0.8768(4) 0.2623(6) 0.129(3) Uiso 1 1 d . . .
C211 C 0.3231(7) 0.8852(4) 0.3301(6) 0.129(3) Uiso 1 1 d . . .
C212 C 0.3779(8) 0.8576(4) 0.3894(7) 0.145(4) Uiso 1 1 d . . .
C213 C 0.4005(6) 0.8188(4) 0.3616(5) 0.120(3) Uiso 1 1 d . . .
C214 C 0.3673(8) 0.8061(4) 0.2865(7) 0.142(3) Uiso 1 1 d . . .
C215 C 0.3114(7) 0.8334(4) 0.2348(6) 0.127(3) Uiso 1 1 d . . .
C216 C 0.2342(11) 0.9035(6) 0.1931(10) 0.210(6) Uiso 1 1 d . . .
C221 C 0.6969(6) 0.9189(3) 0.6330(5) 0.109(2) Uiso 1 1 d . . .
C222 C 0.6730(8) 0.8709(5) 0.6336(7) 0.156(4) Uiso 1 1 d . . .
C223 C 0.6196(9) 0.8502(5) 0.5545(8) 0.169(4) Uiso 1 1 d . . .
C224 C 0.6111(8) 0.8822(5) 0.5000(7) 0.157(4) Uiso 1 1 d . . .
C225 C 0.6303(10) 0.9229(6) 0.5030(9) 0.182(5) Uiso 1 1 d . . .
C226 C 0.6748(7) 0.9440(4) 0.5641(7) 0.136(3) Uiso 1 1 d . . .
C227 C 0.7409(10) 0.9477(6) 0.7018(9) 0.202(6) Uiso 1 1 d . . .
C231 C 0.1143(13) 0.3539(7) 0.1268(11) 0.217(7) Uiso 1 1 d . . .
C232 C 0.0222(8) 0.3647(4) 0.0935(6) 0.141(3) Uiso 1 1 d . . .
C233 C -0.0341(8) 0.3379(5) 0.1113(7) 0.153(4) Uiso 1 1 d . . .
C234 C -0.0103(12) 0.3078(7) 0.1824(10) 0.214(6) Uiso 1 1 d . . .
C235 C 0.0689(12) 0.3031(6) 0.2025(9) 0.196(6) Uiso 1 1 d . . .
C236 C 0.1341(6) 0.3180(3) 0.1841(5) 0.115(3) Uiso 1 1 d . . .
C237 C 0.1731(13) 0.3699(7) 0.1054(10) 0.227(7) Uiso 1 1 d . . .
C241 C -0.0092(5) 0.5122(3) 0.0655(5) 0.108(2) Uiso 1 1 d . . .
C242 C 0.0314(8) 0.5557(5) 0.0443(7) 0.078(3) Uiso 0.50 1 d P . .
C243 C 0.0772(5) 0.5823(3) 0.0921(4) 0.093(2) Uiso 1 1 d . . .
C244 C 0.1175(9) 0.5626(5) 0.1727(8) 0.083(4) Uiso 0.50 1 d P . .
C245 C 0.0728(10) 0.5260(5) 0.1860(8) 0.076(4) Uiso 0.50 1 d P . .
C246 C 0.0094(10) 0.5035(6) 0.1287(9) 0.097(4) Uiso 0.50 1 d P . .
C247 C 0.1833(9) 0.5878(6) 0.2367(8) 0.078(3) Uiso 0.50 1 d P . .
C248 C 0.1193(8) 0.6169(5) 0.1274(7) 0.078(3) Uiso 0.50 1 d P . .
C249 C 0.1703(9) 0.6147(6) 0.2110(8) 0.083(4) Uiso 0.50 1 d P . .
C250 C 0.1532(14) 0.5663(8) 0.2365(11) 0.114(6) Uiso 0.50 1 d P . .
C251 C 0.1072(12) 0.5389(6) 0.1984(9) 0.080(4) Uiso 0.50 1 d P . .
C252 C 0.0566(8) 0.5437(5) 0.1203(7) 0.076(3) Uiso 0.50 1 d P . .
H25 H 0.5100 0.2200 0.0118 0.050 Uiso 1 1 calc . . .
H76 H 0.3993 0.1345 -0.2929 0.050 Uiso 1 1 calc . . .
H125 H -0.0241 0.2152 -0.5009 0.050 Uiso 1 1 calc . . .
H141 H -0.0890 0.1203 -0.7983 0.050 Uiso 1 1 calc . . .
H34 H 0.5498 0.1476 -0.0376 0.039 Uiso 1 1 d R . .
H83 H 0.2520 0.1066 -0.3155 0.040 Uiso 1 1 d R . .
H134 H 0.0069 0.1367 -0.5517 0.036 Uiso 1 1 d R . .
H183 H -0.2272 0.0955 -0.8222 0.038 Uiso 1 1 d R . .
H5 H 0.4544 -0.0517 -0.1110 0.046 Uiso 1 1 d R . .
H6 H 0.5473 -0.0547 0.0127 0.054 Uiso 1 1 d R . .
H7 H 0.6073 0.0128 0.0782 0.050 Uiso 1 1 d R . .
H8 H 0.5680 0.0874 0.0174 0.045 Uiso 1 1 d R . .
H13 H 0.2215 -0.1071 -0.2821 0.070 Uiso 1 1 d R . .
H14 H 0.2922 -0.1254 -0.3617 0.068 Uiso 1 1 d R . .
H15 H 0.3970 -0.1096 -0.4172 0.067 Uiso 1 1 d R . .
H16 H 0.5037 -0.0612 -0.4287 0.066 Uiso 1 1 d R . .
H18 H 0.4794 0.0290 -0.2779 0.046 Uiso 1 1 d R . .
H22 H 0.4407 0.1855 -0.1756 0.041 Uiso 1 1 d R . .
H23 H 0.3640 0.2062 -0.0320 0.069 Uiso 1 1 d R . .
H24A H 0.2370 0.1956 -0.1376 0.107 Uiso 1 1 d R . .
H24B H 0.2957 0.1840 -0.1819 0.107 Uiso 1 1 d R . .
H24C H 0.2691 0.2359 -0.1754 0.107 Uiso 1 1 d R . .
H26A H 0.4890 0.2849 -0.1373 0.061 Uiso 1 1 d R . .
H26B H 0.3947 0.2696 -0.1854 0.061 Uiso 1 1 d R . .
H27A H 0.3926 0.3442 -0.1385 0.085 Uiso 1 1 d R . .
H27B H 0.4372 0.3252 -0.0576 0.085 Uiso 1 1 d R . .
H27C H 0.3429 0.3099 -0.1058 0.085 Uiso 1 1 d R . .
H29 H 0.6323 0.2380 -0.0423 0.050 Uiso 1 1 d R . .
H30 H 0.7545 0.2507 -0.0666 0.065 Uiso 1 1 d R . .
H31 H 0.7705 0.2179 -0.1712 0.088 Uiso 1 1 d R . .
H32 H 0.6596 0.1706 -0.2548 0.081 Uiso 1 1 d R . .
H33 H 0.5252 0.1679 -0.2382 0.067 Uiso 1 1 d R . .
H37 H 0.1886 -0.0570 -0.0567 0.102 Uiso 1 1 d R . .
H38 H 0.2246 -0.1163 0.0348 0.137 Uiso 1 1 d R . .
H39 H 0.3336 -0.1765 0.0398 0.126 Uiso 1 1 d R . .
H40 H 0.3827 -0.1770 -0.0565 0.110 Uiso 1 1 d R . .
H41 H 0.3519 -0.1196 -0.1471 0.094 Uiso 1 1 d R . .
H43A H 0.1176 -0.1084 -0.2500 0.112 Uiso 1 1 d R . .
H43B H 0.0850 -0.0916 -0.1885 0.112 Uiso 1 1 d R . .
H44 H -0.0355 -0.1114 -0.3015 0.128 Uiso 1 1 d R . .
H45 H -0.1016 -0.0465 -0.3573 0.133 Uiso 1 1 d R . .
H46 H -0.0232 0.0210 -0.3518 0.124 Uiso 1 1 d R . .
H47 H 0.1167 0.0278 -0.2640 0.100 Uiso 1 1 d R . .
H49A H 0.6138 0.0784 -0.3475 0.084 Uiso 1 1 d R . .
H49B H 0.5951 0.0559 -0.2817 0.084 Uiso 1 1 d R . .
H49C H 0.5202 0.0793 -0.3475 0.084 Uiso 1 1 d R . .
H54 H -0.0291 0.1539 -0.2258 0.054 Uiso 1 1 d R . .
H55 H 0.0718 0.1206 -0.1182 0.072 Uiso 1 1 d R . .
H56 H 0.2007 0.0904 -0.1157 0.085 Uiso 1 1 d R . .
H57 H 0.2384 0.1011 -0.2236 0.072 Uiso 1 1 d R . .
H62 H -0.2047 0.2704 -0.3182 0.048 Uiso 1 1 d R . .
H63 H -0.3201 0.2211 -0.3673 0.051 Uiso 1 1 d R . .
H64 H -0.3859 0.1487 -0.4388 0.054 Uiso 1 1 d R . .
H65 H -0.3700 0.0783 -0.4936 0.058 Uiso 1 1 d R . .
H67 H -0.1117 0.1021 -0.4293 0.040 Uiso 1 1 d R . .
H70 H 0.2064 0.1639 -0.4457 0.038 Uiso 1 1 d R . .
H72 H 0.3621 0.2091 -0.2846 0.055 Uiso 1 1 d R . .
H73A H 0.2711 0.2727 -0.3459 0.077 Uiso 1 1 d R . .
H73B H 0.2129 0.2361 -0.4024 0.077 Uiso 1 1 d R . .
H73C H 0.2897 0.2598 -0.4166 0.077 Uiso 1 1 d R . .
H74A H 0.3780 0.1508 -0.4649 0.053 Uiso 1 1 d R . .
H74B H 0.3273 0.1982 -0.4773 0.053 Uiso 1 1 d R . .
H75A H 0.4706 0.2131 -0.4566 0.074 Uiso 1 1 d R . .
H75B H 0.4985 0.1876 -0.3800 0.074 Uiso 1 1 d R . .
H75C H 0.4478 0.2350 -0.3924 0.074 Uiso 1 1 d R . .
H78 H 0.3080 0.0521 -0.3867 0.047 Uiso 1 1 d R . .
H79 H 0.2991 -0.0099 -0.4696 0.058 Uiso 1 1 d R . .
H80 H 0.2279 0.0032 -0.5996 0.057 Uiso 1 1 d R . .
H81 H 0.1752 0.0767 -0.6434 0.054 Uiso 1 1 d R . .
H82 H 0.1824 0.1375 -0.5627 0.042 Uiso 1 1 d R . .
H86 H -0.1251 0.2928 -0.2053 0.087 Uiso 1 1 d R . .
H87 H -0.0900 0.2967 -0.0762 0.107 Uiso 1 1 d R . .
H88 H 0.0467 0.2799 0.0073 0.098 Uiso 1 1 d R . .
H89 H 0.1538 0.2588 -0.0388 0.108 Uiso 1 1 d R . .
H90 H 0.1217 0.2580 -0.1671 0.086 Uiso 1 1 d R . .
H92 H -0.1210 0.2921 -0.4456 0.062 Uiso 1 1 d R . .
H93 H -0.1911 0.3589 -0.5078 0.067 Uiso 1 1 d R . .
H94 H -0.1918 0.4276 -0.4411 0.073 Uiso 1 1 d R . .
H95 H -0.1143 0.4288 -0.3173 0.070 Uiso 1 1 d R . .
H96 H -0.0486 0.3631 -0.2492 0.061 Uiso 1 1 d R . .
H105 H -0.0239 -0.0620 -0.6074 0.042 Uiso 1 1 d R . .
H106 H 0.0646 -0.0608 -0.4836 0.048 Uiso 1 1 d R . .
H107 H 0.1078 0.0105 -0.4205 0.045 Uiso 1 1 d R . .
H108 H 0.0633 0.0812 -0.4797 0.037 Uiso 1 1 d R . .
H113 H -0.2425 -0.1240 -0.7893 0.055 Uiso 1 1 d R . .
H114 H -0.1730 -0.1377 -0.8701 0.057 Uiso 1 1 d R . .
H115 H -0.0630 -0.1146 -0.9205 0.065 Uiso 1 1 d R . .
H116 H 0.0403 -0.0617 -0.9261 0.066 Uiso 1 1 d R . .
H118 H 0.0046 0.0199 -0.7698 0.045 Uiso 1 1 d R . .
H121 H -0.0676 0.1736 -0.6857 0.038 Uiso 1 1 d R . .
H123A H -0.0386 0.2739 -0.6550 0.045 Uiso 1 1 d R . .
H123B H -0.1291 0.2542 -0.7049 0.045 Uiso 1 1 d R . .
H124A H -0.1439 0.3288 -0.6640 0.058 Uiso 1 1 d R . .
H124B H -0.1004 0.3125 -0.5815 0.058 Uiso 1 1 d R . .
H124C H -0.1909 0.2928 -0.6314 0.058 Uiso 1 1 d R . .
H126 H -0.1645 0.1974 -0.5519 0.046 Uiso 1 1 d R . .
H127A H -0.2796 0.1753 -0.6638 0.058 Uiso 1 1 d R . .
H127B H -0.2102 0.1631 -0.6971 0.058 Uiso 1 1 d R . .
H127C H -0.2472 0.2141 -0.7041 0.058 Uiso 1 1 d R . .
H129 H 0.1009 0.2392 -0.5522 0.046 Uiso 1 1 d R . .
H130 H 0.2313 0.2583 -0.5695 0.059 Uiso 1 1 d R . .
H98A H -0.1721 0.0046 -0.5445 0.079 Uiso 1 1 d R . .
H98B H -0.1155 0.0327 -0.4739 0.079 Uiso 1 1 d R . .
H98C H -0.1579 0.0585 -0.5500 0.079 Uiso 1 1 d R . .
H131 H 0.2588 0.2255 -0.6688 0.066 Uiso 1 1 d R . .
H132 H 0.1659 0.1768 -0.7508 0.065 Uiso 1 1 d R . .
H133 H 0.0306 0.1569 -0.7353 0.050 Uiso 1 1 d R . .
H137 H -0.3351 -0.1334 -0.6558 0.070 Uiso 1 1 d R . .
H138 H -0.4739 -0.1615 -0.7183 0.091 Uiso 1 1 d R . .
H139 H -0.5708 -0.1127 -0.8263 0.092 Uiso 1 1 d R . .
H140 H -0.5122 -0.0528 -0.8687 0.089 Uiso 1 1 d R . .
H141 H -0.3698 -0.0288 -0.8065 0.072 Uiso 1 1 d R . .
H143 H -0.1196 -0.1386 -0.6604 0.055 Uiso 1 1 d R . .
H144 H -0.0541 -0.1925 -0.5600 0.072 Uiso 1 1 d R . .
H145 H -0.0774 -0.1830 -0.4488 0.073 Uiso 1 1 d R . .
H146 H -0.1664 -0.1239 -0.4376 0.077 Uiso 1 1 d R . .
H147 H -0.2340 -0.0714 -0.5379 0.063 Uiso 1 1 d R . .
H149A H 0.1497 0.0742 -0.8277 0.080 Uiso 1 1 d R . .
H149B H 0.1284 0.0484 -0.7657 0.080 Uiso 1 1 d R . .
H149C H 0.0555 0.0750 -0.8289 0.080 Uiso 1 1 d R . .
H154 H -0.5258 0.1289 -0.7410 0.050 Uiso 1 1 d R . .
H155 H -0.4452 0.0769 -0.6506 0.057 Uiso 1 1 d R . .
H156 H -0.3208 0.0422 -0.6547 0.054 Uiso 1 1 d R . .
H157 H -0.2715 0.0636 -0.7482 0.041 Uiso 1 1 d R . .
H162 H -0.6754 0.2720 -0.8281 0.057 Uiso 1 1 d R . .
H163 H -0.7957 0.2282 -0.8821 0.060 Uiso 1 1 d R . .
H164 H -0.8672 0.1533 -0.9429 0.058 Uiso 1 1 d R . .
H165 H -0.8512 0.0766 -0.9790 0.061 Uiso 1 1 d R . .
H167 H -0.5954 0.0916 -0.9168 0.045 Uiso 1 1 d R . .
H170 H -0.2811 0.1503 -0.9524 0.038 Uiso 1 1 d R . .
H172 H -0.1211 0.1964 -0.7906 0.045 Uiso 1 1 d R . .
H173A H -0.2101 0.2611 -0.8543 0.058 Uiso 1 1 d R . .
H173B H -0.2689 0.2245 -0.9106 0.058 Uiso 1 1 d R . .
H173C H -0.1904 0.2468 -0.9240 0.058 Uiso 1 1 d R . .
H175A H -0.1054 0.1326 -0.9704 0.047 Uiso 1 1 d R . .
H175B H -0.1575 0.1797 -0.9887 0.047 Uiso 1 1 d R . .
H176A H -0.0126 0.1952 -0.9659 0.058 Uiso 1 1 d R . .
H176B H 0.0138 0.1729 -0.8870 0.058 Uiso 1 1 d R . .
H176C H -0.0383 0.2199 -0.9053 0.058 Uiso 1 1 d R . .
H178 H -0.1758 0.0390 -0.8987 0.052 Uiso 1 1 d R . .
H179 H -0.1823 -0.0208 -0.9771 0.070 Uiso 1 1 d R . .
H180 H -0.2632 -0.0082 -1.1102 0.084 Uiso 1 1 d R . .
H181 H -0.3197 0.0624 -1.1514 0.075 Uiso 1 1 d R . .
H182 H -0.3129 0.1255 -1.0661 0.055 Uiso 1 1 d R . .
H186 H -0.5766 0.2217 -0.7039 0.109 Uiso 1 1 d R . .
H187 H -0.5395 0.2219 -0.5739 0.142 Uiso 1 1 d R . .
H188 H -0.4123 0.2466 -0.4958 0.117 Uiso 1 1 d R . .
H189 H -0.3153 0.2844 -0.5427 0.097 Uiso 1 1 d R . .
H190 H -0.3501 0.2867 -0.6698 0.079 Uiso 1 1 d R . .
H192 H -0.5176 0.3443 -0.7226 0.063 Uiso 1 1 d R . .
H193 H -0.5827 0.4197 -0.7675 0.071 Uiso 1 1 d R . .
H194 H -0.6454 0.4331 -0.8964 0.083 Uiso 1 1 d R . .
H195 H -0.6243 0.3779 -0.9793 0.087 Uiso 1 1 d R . .
H196 H -0.5636 0.3060 -0.9348 0.080 Uiso 1 1 d R . .
H198A H -0.6523 -0.0181 -0.9874 0.074 Uiso 1 1 d R . .
H198B H -0.6052 0.0127 -0.9173 0.074 Uiso 1 1 d R . .
H198C H -0.6177 0.0316 -0.9961 0.074 Uiso 1 1 d R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P35 C36 1.835(6) . ?
P35 C12 1.834(4) . ?
P35 C42 1.836(5) . ?
P84 C85 1.823(5) . ?
P84 C91 1.826(4) . ?
P84 C61 1.852(4) . ?
P135 C112 1.829(4) . ?
P135 C142 1.830(4) . ?
P135 C136 1.843(4) . ?
P184 C185 1.821(5) . ?
P184 C191 1.841(5) . ?
P184 C161 1.843(4) . ?
O25 C21 1.436(5) . ?
O48 C17 1.362(6) . ?
O48 C49 1.406(7) . ?
O76 C71 1.435(5) . ?
O97 C66 1.362(5) . ?
O97 C98 1.438(5) . ?
O125 C122 1.434(4) . ?
O148 C117 1.365(5) . ?
O148 C149 1.413(6) . ?
O174 C171 1.443(4) . ?
O197 C166 1.366(5) . ?
O197 C198 1.409(5) . ?
N2 C1 1.315(5) . ?
N2 N3 1.389(5) . ?
N3 C4 1.302(5) . ?
N34 C1 1.369(5) . ?
N34 C22 1.477(5) . ?
N51 C50 1.321(5) . ?
N51 N52 1.386(4) . ?
N52 C53 1.300(5) . ?
N83 C50 1.365(5) . ?
N83 C70 1.455(5) . ?
N102 C101 1.319(4) . ?
N102 N103 1.392(4) . ?
N103 C104 1.292(4) . ?
N134 C101 1.366(4) . ?
N134 C121 1.479(4) . ?
N151 C150 1.319(4) . ?
N151 N152 1.369(4) . ?
N152 C153 1.308(4) . ?
N183 C150 1.363(4) . ?
N183 C170 1.456(4) . ?
C1 C9 1.454(5) . ?
C4 C10 1.448(5) . ?
C4 C11 1.504(5) . ?
C5 C6 1.378(6) . ?
C5 C10 1.406(6) . ?
C6 C7 1.389(6) . ?
C7 C8 1.376(6) . ?
C8 C9 1.411(5) . ?
C9 C10 1.390(5) . ?
C11 C12 1.381(6) . ?
C11 C19 1.447(6) . ?
C12 C13 1.426(7) . ?
C13 C14 1.335(7) . ?
C14 C20 1.398(7) . ?
C15 C16 1.322(7) . ?
C15 C20 1.443(7) . ?
C16 C17 1.422(7) . ?
C17 C18 1.371(6) . ?
C18 C19 1.410(6) . ?
C19 C20 1.413(6) . ?
C21 C23 1.513(7) . ?
C21 C26 1.541(6) . ?
C21 C22 1.558(6) . ?
C22 C28 1.535(5) . ?
C23 C24 1.472(8) . ?
C26 C27 1.503(7) . ?
C28 C29 1.397(6) . ?
C28 C33 1.400(6) . ?
C29 C30 1.380(6) . ?
C30 C31 1.403(8) . ?
C31 C32 1.391(8) . ?
C32 C33 1.388(7) . ?
C36 C41 1.381(9) . ?
C36 C37 1.403(8) . ?
C37 C38 1.370(10) . ?
C38 C39 1.383(13) . ?
C39 C40 1.342(11) . ?
C40 C41 1.407(9) . ?
C42 C47 1.399(9) . ?
C42 C43 1.400(8) . ?
C43 C44 1.411(10) . ?
C44 C45 1.370(13) . ?
C45 C46 1.375(13) . ?
C46 C47 1.378(9) . ?
C50 C58 1.456(5) . ?
C53 C59 1.435(6) . ?
C53 C60 1.508(5) . ?
C54 C55 1.356(6) . ?
C54 C59 1.391(6) . ?
C55 C56 1.394(7) . ?
C56 C57 1.372(7) . ?
C57 C58 1.388(6) . ?
C58 C59 1.412(5) . ?
C60 C61 1.370(6) . ?
C60 C68 1.441(5) . ?
C61 C62 1.429(6) . ?
C62 C63 1.346(6) . ?
C63 C69 1.420(6) . ?
C64 C65 1.372(7) . ?
C64 C69 1.409(6) . ?
C65 C66 1.399(6) . ?
C66 C67 1.383(6) . ?
C67 C68 1.408(6) . ?
C68 C69 1.421(5) . ?
C70 C77 1.513(6) . ?
C70 C71 1.561(5) . ?
C71 C74 1.512(6) . ?
C71 C72 1.529(6) . ?
C72 C73 1.520(7) . ?
C74 C75 1.524(6) . ?
C77 C78 1.393(6) . ?
C77 C82 1.399(6) . ?
C78 C79 1.398(6) . ?
C79 C80 1.387(7) . ?
C80 C81 1.389(7) . ?
C81 C82 1.371(6) . ?
C85 C90 1.388(5) . ?
C85 C86 1.408(6) . ?
C86 C87 1.404(8) . ?
C87 C88 1.383(10) . ?
C88 C89 1.350(10) . ?
C89 C90 1.391(9) . ?
C91 C96 1.395(6) . ?
C91 C92 1.398(6) . ?
C92 C93 1.371(7) . ?
C93 C94 1.354(8) . ?
C94 C95 1.389(8) . ?
C95 C96 1.398(7) . ?
C101 C109 1.457(5) . ?
C104 C110 1.441(5) . ?
C104 C111 1.515(5) . ?
C105 C106 1.381(6) . ?
C105 C110 1.403(6) . ?
C106 C107 1.384(6) . ?
C107 C108 1.378(6) . ?
C108 C109 1.410(5) . ?
C109 C110 1.407(5) . ?
C111 C112 1.386(6) . ?
C111 C119 1.439(5) . ?
C112 C113 1.419(6) . ?
C113 C114 1.337(6) . ?
C114 C120 1.395(6) . ?
C115 C116 1.358(7) . ?
C115 C120 1.431(6) . ?
C116 C117 1.419(7) . ?
C117 C118 1.375(6) . ?
C118 C119 1.418(6) . ?
C119 C120 1.436(6) . ?
C121 C128 1.523(5) . ?
C121 C122 1.555(6) . ?
C122 C126 1.517(6) . ?
C122 C123 1.540(6) . ?
C123 C124 1.535(6) . ?
C126 C127 1.516(6) . ?
C128 C129 1.377(6) . ?
C128 C133 1.409(6) . ?
C129 C130 1.409(6) . ?
C130 C131 1.397(7) . ?
C131 C132 1.376(7) . ?
C132 C133 1.394(6) . ?
C136 C141 1.387(7) . ?
C136 C137 1.391(7) . ?
C137 C138 1.402(7) . ?
C138 C139 1.408(9) . ?
C139 C140 1.331(9) . ?
C140 C141 1.382(8) . ?
C142 C147 1.386(6) . ?
C142 C143 1.392(6) . ?
C143 C144 1.394(7) . ?
C144 C145 1.375(8) . ?
C145 C146 1.396(8) . ?
C146 C147 1.393(7) . ?
C150 C158 1.459(5) . ?
C153 C159 1.434(5) . ?
C153 C160 1.502(5) . ?
C154 C155 1.346(6) . ?
C154 C159 1.424(5) . ?
C155 C156 1.397(6) . ?
C156 C157 1.368(6) . ?
C157 C158 1.400(5) . ?
C158 C159 1.398(5) . ?
C160 C161 1.387(6) . ?
C160 C168 1.434(6) . ?
C161 C162 1.411(6) . ?
C162 C163 1.347(7) . ?
C163 C169 1.426(7) . ?
C164 C165 1.334(7) . ?
C164 C169 1.422(6) . ?
C165 C166 1.394(6) . ?
C166 C167 1.384(6) . ?
C167 C168 1.403(6) . ?
C168 C169 1.415(5) . ?
C170 C177 1.520(6) . ?
C170 C171 1.564(5) . ?
C171 C175 1.520(5) . ?
C171 C172 1.530(6) . ?
C172 C173 1.517(6) . ?
C175 C176 1.545(6) . ?
C177 C178 1.382(6) . ?
C177 C182 1.390(6) . ?
C178 C179 1.395(7) . ?
C179 C180 1.384(8) . ?
C180 C181 1.368(8) . ?
C181 C182 1.397(7) . ?
C185 C190 1.392(7) . ?
C185 C186 1.393(7) . ?
C186 C187 1.368(9) . ?
C187 C188 1.366(10) . ?
C188 C189 1.392(10) . ?
C189 C190 1.375(9) . ?
C191 C192 1.390(7) . ?
C191 C196 1.394(7) . ?
C192 C193 1.400(7) . ?
C193 C194 1.372(8) . ?
C194 C195 1.374(8) . ?
C195 C196 1.368(8) . ?
C201 C206 1.263(12) . ?
C201 C207 1.398(17) . ?
C201 C202 1.613(14) . ?
C202 C203 1.283(13) . ?
C203 C204 1.412(14) . ?
C204 C205 1.345(15) . ?
C205 C206 1.373(15) . ?
C210 C211 1.250(13) . ?
C210 C215 1.446(14) . ?
C210 C216 1.528(18) . ?
C211 C212 1.416(15) . ?
C212 C213 1.350(14) . ?
C213 C214 1.406(14) . ?
C214 C215 1.339(13) . ?
C221 C222 1.430(14) . ?
C221 C226 1.442(13) . ?
C221 C227 1.509(18) . ?
C222 C223 1.580(16) . ?
C223 C224 1.368(16) . ?
C224 C225 1.201(17) . ?
C225 C226 1.294(17) . ?
C231 C237 1.29(2) . ?
C231 C236 1.46(2) . ?
C231 C232 1.47(2) . ?
C232 C233 1.356(14) . ?
C233 C234 1.552(19) . ?
C234 C235 1.241(19) . ?
C235 C236 1.340(17) . ?
C241 C246 1.180(16) . ?
C241 C252 1.512(16) . ?
C241 C242 1.544(16) . ?
C242 C243 1.224(14) . ?
C242 C252 1.424(18) . ?
C243 C248 1.259(14) . ?
C243 C252 1.334(15) . ?
C243 C244 1.565(17) . ?
C244 C251 0.896(17) . ?
C244 C250 1.17(2) . ?
C244 C252 1.262(18) . ?
C244 C245 1.36(2) . ?
C244 C247 1.50(2) . ?
C244 C249 1.75(2) . ?
C244 C248 1.79(2) . ?
C245 C251 0.650(18) . ?
C245 C252 1.307(18) . ?
C245 C246 1.38(2) . ?
C245 C250 1.77(3) . ?
C246 C252 1.44(2) . ?
C246 C251 1.97(2) . ?
C247 C250 0.79(2) . ?
C247 C249 0.899(17) . ?
C247 C251 1.85(2) . ?
C248 C249 1.53(2) . ?
C249 C250 1.53(3) . ?
C250 C251 1.15(2) . ?
C251 C252 1.45(2) . ?
O25 H25 0.8200 . ?
O76 H76 0.8200 . ?
O125 H125 0.8200 . ?
O174 H141 0.8200 . ?
N34 H34 1.0681 . ?
N83 H83 0.9547 . ?
N134 H134 0.7512 . ?
N183 H183 0.9433 . ?
C5 H5 0.9588 . ?
C6 H6 0.9445 . ?
C7 H7 0.9726 . ?
C8 H8 0.9626 . ?
C13 H13 1.0031 . ?
C14 H14 0.9613 . ?
C15 H15 0.9728 . ?
C16 H16 0.9615 . ?
C18 H18 0.9478 . ?
C22 H22 0.9674 . ?
C23 H23 0.9795 . ?
C24 H24A 1.0093 . ?
C24 H24B 0.9942 . ?
C24 H24C 0.9390 . ?
C26 H26A 0.9703 . ?
C26 H26B 0.9567 . ?
C27 H27A 0.9880 . ?
C27 H27B 0.9461 . ?
C27 H27C 1.0115 . ?
C29 H29 0.9658 . ?
C30 H30 0.9555 . ?
C31 H31 0.9439 . ?
C32 H32 0.9872 . ?
C33 H33 0.9717 . ?
C37 H37 1.0549 . ?
C38 H38 1.0116 . ?
C39 H39 0.9900 . ?
C40 H40 0.9323 . ?
C41 H41 1.0106 . ?
C43 H43A 0.9742 . ?
C43 H43B 0.9888 . ?
C44 H44 0.9405 . ?
C45 H45 0.9755 . ?
C46 H46 0.9493 . ?
C47 H47 0.9830 . ?
C49 H49A 0.9433 . ?
C49 H49B 0.9503 . ?
C49 H49C 1.0204 . ?
C54 H54 0.9826 . ?
C55 H55 0.9717 . ?
C56 H56 0.9770 . ?
C57 H57 0.9585 . ?
C62 H62 0.9841 . ?
C63 H63 0.9927 . ?
C64 H64 1.0036 . ?
C65 H65 0.9813 . ?
C67 H67 0.9353 . ?
C70 H70 0.9767 . ?
C72 H72 0.9314 . ?
C73 H73A 0.9451 . ?
C73 H73B 0.9580 . ?
C73 H73C 1.0082 . ?
C74 H74A 0.9426 . ?
C74 H74B 0.9832 . ?
C75 H75A 0.9478 . ?
C75 H75B 0.9553 . ?
C75 H75C 0.9722 . ?
C78 H78 0.9696 . ?
C79 H79 0.9674 . ?
C80 H80 0.9549 . ?
C81 H81 0.9629 . ?
C82 H82 0.9826 . ?
C86 H86 0.9831 . ?
C87 H87 0.9507 . ?
C88 H88 0.9757 . ?
C89 H89 0.9524 . ?
C90 H90 0.9566 . ?
C92 H92 0.9699 . ?
C93 H93 0.9650 . ?
C94 H94 0.9741 . ?
C95 H95 0.9192 . ?
C96 H96 0.9664 . ?
C105 H105 0.9628 . ?
C106 H106 0.9447 . ?
C107 H107 0.9496 . ?
C108 H108 0.9703 . ?
C113 H113 0.9852 . ?
C114 H114 0.9807 . ?
C115 H115 0.9523 . ?
C116 H116 0.9450 . ?
C118 H118 0.9623 . ?
C121 H121 0.9790 . ?
C123 H123A 0.9366 . ?
C123 H123B 0.9903 . ?
C124 H124A 0.9587 . ?
C124 H124B 0.9416 . ?
C124 H124C 0.9819 . ?
C126 H126 0.9876 . ?
C127 H127A 0.9605 . ?
C127 H127B 0.9437 . ?
C127 H127C 0.9981 . ?
C129 H129 0.9817 . ?
C130 H130 0.9347 . ?
C98 H98A 0.9751 . ?
C98 H98B 0.9151 . ?
C98 H98C 0.9486 . ?
C131 H131 0.9270 . ?
C132 H132 0.9867 . ?
C133 H133 0.9860 . ?
C137 H137 0.9544 . ?
C138 H138 1.0203 . ?
C139 H139 0.9959 . ?
C140 H140 1.0119 . ?
C141 H141 0.9713 . ?
C143 H143 0.9883 . ?
C144 H144 0.9618 . ?
C145 H145 0.9442 . ?
C146 H146 0.9462 . ?
C147 H147 0.9902 . ?
C149 H149A 0.9472 . ?
C149 H149B 0.9950 . ?
C149 H149C 1.0039 . ?
C154 H154 0.9743 . ?
C155 H155 0.9570 . ?
C156 H156 0.9616 . ?
C157 H157 0.9355 . ?
C162 H162 0.9777 . ?
C163 H163 0.9844 . ?
C164 H164 1.0058 . ?
C165 H165 0.9765 . ?
C167 H167 0.9420 . ?
C170 H170 1.0021 . ?
C172 H172 0.9710 . ?
C173 H173A 0.9708 . ?
C173 H173B 0.9661 . ?
C173 H173C 0.9616 . ?
C175 H175A 0.9933 . ?
C175 H175B 0.9611 . ?
C176 H176A 0.9485 . ?
C176 H176B 0.9491 . ?
C176 H176C 0.9713 . ?
C178 H178 0.9256 . ?
C179 H179 0.9508 . ?
C180 H180 0.9667 . ?
C181 H181 0.9798 . ?
C182 H182 0.9988 . ?
C186 H186 0.9930 . ?
C187 H187 0.9641 . ?
C188 H188 0.9683 . ?
C189 H189 0.9482 . ?
C190 H190 0.9323 . ?
C192 H192 0.9851 . ?
C193 H193 0.9907 . ?
C194 H194 0.9986 . ?
C195 H195 0.9897 . ?
C196 H196 0.9443 . ?
C198 H198A 0.9599 . ?
C198 H198B 0.9600 . ?
C198 H198C 0.9599 . ?
