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#                                CCDC 
# 
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#
#  This CIF contains data generated directly from one or more entries in
#  the Cambridge Structural Database and will include bibliographic, 
#  chemical, crystal, experimental, refinement, and atomic coordinate data,
#  as available.
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#  Copyright  2014  The Cambridge Crystallographic Data Centre
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#  research purposes only.  It may contain copyright material of the CCDC
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data_CSD_CIF_MUKFUU
_audit_creation_date 2010-07-30
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD MUKFUU
_database_code_depnum_ccdc_archive 'CCDC 720252'
_chemical_formula_sum 'C181 H183.4 F8 N29 O31.7'
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,-1/2+z
7 -1/2-x,-1/2-y,-z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 34.398(7)
_cell_length_b 40.263(8)
_cell_length_c 38.827(8)
_cell_angle_alpha 90
_cell_angle_beta 98.86(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.77
H 0.23
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
F1 F 0.58463(10) 0.07646(7) 0.22949(8)
F2 F 0.38329(11) 0.12475(8) 0.15926(8)
F3 F 0.63047(11) 0.14780(8) 0.42968(8)
F4 F 0.45642(9) 0.03202(8) 0.19916(7)
F5 F 0.57271(11) 0.04270(9) 0.38798(7)
F6 F 0.56162(10) 0.18608(8) 0.27330(8)
N1 N 0.33373(14) 0.07864(13) 0.17346(10)
H1 H 0.35890 0.07650 0.17760
N2 N 0.57913(15) 0.00976(12) 0.22181(10)
O1 O 0.53567(13) -0.06911(11) 0.20954(9)
N3 N 0.37677(16) 0.02494(11) 0.18602(10)
F7 F 0.44136(12) 0.1791(1) 0.32123(9)
F8 F 0.43835(12) 0.06778(10) 0.36017(8)
O2 O 0.27620(16) 0.04851(11) 0.16938(11)
N4 N 0.50775(16) -0.01708(11) 0.20861(10)
H2 H 0.51370 0.00370 0.21040
N5 N 0.67950(17) 0.09760(15) 0.41873(11)
O3 O 0.68274(15) -0.04418(12) 0.22918(11)
C1 C 0.4420(2) 0.00131(14) 0.19805(12)
O4 O 0.46104(15) 0.03821(14) -0.04917(10)
N6 N 0.65182(15) 0.10977(13) 0.24389(11)
H3 H 0.62950 0.11790 0.24700
N7 N 0.36464(17) 0.18940(14) 0.14760(11)
N8 N 0.5218(2) -0.00931(14) 0.38088(11)
O5 O 0.53265(14) 0.14356(11) 0.42267(11)
H4 H 0.51400 0.15650 0.42030
C2 C 0.4679(2) -0.02470(14) 0.20312(12)
C3 C 0.5789(2) -0.02226(16) 0.21837(12)
O6 O 0.57436(15) 0.19606(11) 0.45337(11)
N9 N 0.4777(2) 0.22132(15) 0.11061(13)
O7 O 0.71567(16) 0.12410(12) 0.24006(11)
C4 C 0.6113(2) -0.04320(16) 0.21964(14)
H5 H 0.60870 -0.06600 0.21620
N10 N 0.4195(2) 0.22916(13) 0.12915(12)
H6 H 0.42030 0.20790 0.13140
O8 O 0.56882(19) -0.10479(14) 0.38929(11)
C5 C 0.3196(2) 0.11080(17) 0.16740(14)
N11 N 0.4613(2) 0.08376(14) 0.04146(12)
C6 C 0.6713(2) 0.16713(18) 0.25177(14)
C7 C 0.6529(2) 0.07573(16) 0.23900(13)
N12 N 0.3948(2) 0.08024(14) 0.02278(12)
H7 H 0.39670 0.10150 0.02210
O9 O 0.43140(17) -0.05329(13) 0.36704(10)
N13 N 0.63522(18) 0.17233(13) 0.25845(11)
O10 O 0.34757(17) 0.03940(14) 0.01798(10)
C8 C 0.5393(2) -0.03916(17) 0.21156(13)
N14 N 0.65270(19) 0.21024(15) 0.44490(13)
H8 H 0.62910 0.20290 0.44440
N15 N 0.4660(2) 0.24000(17) 0.30691(14)
N16 N 0.5262(3) 0.09448(18) 0.05741(13)
H9 H 0.51820 0.11410 0.06160
N17 N 0.6513(2) 0.03745(13) 0.40377(11)
H10 H 0.63890 0.05600 0.40210
N18 N 0.34409(18) 0.12345(16) -0.00687(11)
O11 O 0.71535(18) 0.25028(13) 0.25777(14)
C9 C 0.61487(19) 0.02449(16) 0.22733(12)
O12 O 0.32994(16) -0.07011(12) 0.18078(12)
C10 C 0.5784(3) -0.04712(19) 0.39231(14)
N19 N 0.4478(2) 0.0932(2) -0.04977(13)
H11 H 0.42880 0.10700 -0.05540
O13 O 0.58207(18) 0.06360(19) 0.05705(13)
C11 C 0.6511(2) 0.00651(16) 0.23071(13)
C12 C 0.6186(2) 0.05898(15) 0.23202(13)
C13 C 0.4820(3) 0.1428(2) -0.03061(16)
O14 O 0.2222(2) 0.10927(18) -0.01967(14)
N20 N 0.4454(2) 0.0026(2) 0.36840(11)
H12 H 0.46500 0.01620 0.37080
C14 C 0.3385(2) 0.01963(16) 0.18003(13)
O15 O 0.39452(18) 0.23129(14) -0.03662(14)
C15 C 0.4516(2) -0.05658(16) 0.20164(13)
H13 H 0.46840 -0.07470 0.20500
O16 O 0.6243(2) 0.25692(13) 0.45839(13)
C16 C 0.3536(2) 0.22007(19) 0.14200(15)
C17 C 0.6475(3) -0.02799(18) 0.22626(14)
C18 C 0.4122(2) -0.06220(15) 0.19562(13)
H14 H 0.40250 -0.08380 0.19550
C19 C 0.3279(3) 0.0945(2) 0.00045(15)
C20 C 0.4005(2) -0.00221(15) 0.19103(12)
O17 O 0.37933(16) 0.27438(13) 0.13306(12)
C21 C 0.3130(2) 0.05051(19) 0.17371(14)
N21 N 0.4452(2) 0.15705(18) -0.03338(13)
O18 O 0.24880(17) 0.21914(13) 0.15027(12)
O19 O 0.68935(18) 0.25858(13) 0.45017(14)
C22 C 0.3867(2) -0.03540(17) 0.18964(13)
C23 C 0.3363(2) 0.16834(18) 0.15436(14)
C24 C 0.6276(3) 0.00826(17) 0.39994(14)
O20 O 0.71357(17) 0.01613(13) 0.41099(13)
C25 C 0.4306(3) 0.0632(2) 0.03247(14)
C26 C 0.4973(3) 0.0706(2) 0.04856(16)
C27 C 0.6875(2) 0.0564(2) 0.24165(13)
H15 H 0.71170 0.06720 0.24660
N22 N 0.5713(2) 0.1480(3) 0.07362(13)
C28 C 0.6526(3) 0.23103(17) 0.26527(16)
C29 C 0.4530(3) 0.24391(19) 0.12101(16)
C30 C 0.3449(3) -0.03890(18) 0.18248(15)
N23 N 0.3763(3) 0.17894(18) -0.02523(14)
H16 H 0.38670 0.15980 -0.02000
N24 N 0.3678(2) 0.1005(2) 0.34824(13)
C31 C 0.6688(2) 0.15495(18) 0.43109(15)
C32 C 0.6872(2) 0.02365(19) 0.23746(14)
H17 H 0.71080 0.01200 0.23900
C33 C 0.6816(3) -0.08008(19) 0.2231(2)
H18 H 0.66660 -0.08500 0.20040
H19 H 0.66930 -0.09130 0.24070
C34 C 0.5767(2) 0.2424(2) 0.27994(16)
C35 C 0.5521(3) -0.0745(2) 0.38721(16)
C36 C 0.5877(3) 0.01169(17) 0.39199(14)
N25 N 0.3739(3) 0.0816(2) -0.07745(16)
C37 C 0.3180(3) 0.1485(2) -0.01909(16)
O21 O 0.2651(3) 0.0471(2) 0.34682(17)
C38 C 0.3463(2) 0.13485(18) 0.16098(14)
C39 C 0.4425(3) 0.1882(3) -0.02728(18)
C40 C 0.3363(5) 0.0799(4) -0.0867(3)
C41 C 0.3354(3) 0.1795(2) -0.02707(17)
C42 C 0.2882(3) 0.2115(2) 0.14910(17)
C43 C 0.6256(2) 0.20440(16) 0.26595(14)
O22 O 0.3882(2) 0.31898(19) 0.30443(18)
C44 C 0.5172(3) 0.1604(2) -0.02074(18)
N26 N 0.5383(2) 0.24646(14) 0.28771(13)
H20 H 0.52570 0.22850 0.29080
C45 C 0.4839(3) 0.1075(2) -0.03801(16)
C46 C 0.6940(2) 0.12922(18) 0.42526(14)
C47 C 0.2970(2) 0.17726(18) 0.15644(15)
C48 C 0.7007(2) 0.1916(2) 0.25188(17)
H21 H 0.72590 0.18610 0.24790
C49 C 0.4380(3) 0.0617(3) -0.05370(15)
O23 O 0.53176(18) 0.30349(14) 0.28835(14)
C50 C 0.4701(3) 0.0166(2) 0.03699(16)
H22 H 0.47320 -0.00620 0.03530
C51 C 0.6582(4) 0.2435(2) 0.4516(2)
C52 C 0.5606(3) -0.01501(17) 0.38773(12)
C53 C 0.7476(3) 0.1700(2) 0.43326(18)
H23 H 0.77390 0.17580 0.43360
C54 C 0.7057(3) 0.0747(2) 0.41465(15)
C55 C 0.3203(2) -0.01147(19) 0.17778(14)
H24 H 0.29300 -0.01370 0.17340
C56 C 0.3943(3) 0.0557(3) -0.06327(17)
C57 C 0.4168(3) 0.2055(3) 0.32143(17)
N27 N 0.3694(2) 0.1650(2) 0.33411(14)
H25 H 0.38840 0.15100 0.33510
C58 C 0.6917(3) 0.0395(2) 0.40979(15)
C59 C 0.3581(3) 0.0683(2) 0.01452(15)
C60 C 0.4080(3) 0.0175(2) 0.36312(14)
C61 C 0.4746(4) 0.2095(3) -0.0188(2)
H26 H 0.47170 0.23220 -0.01560
C62 C 0.5122(3) -0.0687(2) 0.37948(15)
H27 H 0.49460 -0.08640 0.37580
O24 O 0.7979(2) 0.12077(16) 0.41829(16)
C63 C 0.4982(3) 0.11550(19) 0.30033(18)
H28 H 0.48110 0.13480 0.29810
H29 H 0.48190 0.09640 0.30330
C64 C 0.6806(2) 0.18693(19) 0.43882(15)
C65 C 0.6428(2) -0.0240(2) 0.40437(14)
H30 H 0.66970 -0.02710 0.41040
O25 O 0.5471(3) 0.2122(2) -0.00629(16)
C66 C 0.3107(3) 0.2059(2) -0.03643(19)
H31 H 0.32070 0.22670 -0.04080
C67 C 0.6910(3) 0.2227(2) 0.25782(18)
C68 C 0.7356(2) 0.1379(2) 0.42624(17)
C69 C 0.5028(3) 0.0361(2) 0.04649(15)
H32 H 0.52780 0.02680 0.05140
C70 C 0.2882(3) 0.0882(2) -0.00339(17)
H33 H 0.27910 0.06730 0.00150
C71 C 0.4284(3) 0.2361(2) 0.31425(18)
C72 C 0.4055(3) 0.0495(2) 0.35903(16)
C73 C 0.5136(3) 0.1112(3) 0.26575(17)
H34 H 0.53250 0.12880 0.26410
H35 H 0.52790 0.09040 0.26690
C74 C 0.4982(3) -0.0356(2) 0.37722(14)
N28 N 0.5347(2) 0.20533(18) 0.09113(14)
H36 H 0.52330 0.18640 0.08790
C75 C 0.6043(3) 0.26911(18) 0.28104(18)
H37 H 0.59730 0.29050 0.28690
C76 C 0.4768(3) 0.2705(2) 0.29978(18)
C77 C 0.2806(2) 0.12117(19) 0.16970(14)
H38 H 0.26240 0.10580 0.17520
C78 C 0.3692(3) 0.0667(3) 0.35258(16)
C79 C 0.7206(3) 0.1941(2) 0.43993(17)
H39 H 0.72940 0.21560 0.44530
O26 O 0.3035(2) 0.16890(19) 0.33887(15)
C80 C 0.3714(3) -0.0018(2) 0.36134(15)
H40 H 0.37220 -0.02480 0.36370
C81 C 0.6246(3) 0.29140(19) 0.4698(2)
C82 C 0.3852(3) 0.2440(2) 0.13416(16)
C83 C 0.3333(3) 0.0492(3) 0.35236(16)
O27 O 0.3188(2) -0.0043(3) -0.0544(2)
C84 C 0.3358(3) 0.0150(4) 0.35604(17)
H41 H 0.31270 0.00280 0.35490
C85 C 0.4334(3) 0.02974(19) 0.03007(15)
H42 H 0.41130 0.01640 0.02400
C86 C 0.5433(3) 0.13611(18) 0.38909(18)
H43 H 0.56570 0.12120 0.39230
H44 H 0.55140 0.15650 0.37890
C87 C 0.6815(3) 0.13145(19) 0.24433(15)
C88 C 0.6184(3) -0.05082(17) 0.39987(16)
H45 H 0.62910 -0.07210 0.40200
C89 C 0.2697(2) 0.1531(2) 0.16401(15)
H46 H 0.24390 0.15940 0.16510
C90 C 0.4029(3) 0.2030(2) -0.03009(18)
C91 C 0.5544(3) 0.1110(3) -0.02368(17)
H47 H 0.57850 0.09990 -0.02080
C92 C 0.5658(4) 0.0902(3) 0.06020(18)
O28 O 0.5911(2) 0.2344(2) 0.08637(15)
C93 C 0.3170(3) 0.23384(19) 0.14261(17)
H48 H 0.31200 0.25640 0.13890
C94 C 0.4157(4) 0.2941(3) 0.3053(2)
C95 C 0.4602(3) 0.2772(2) 0.12362(18)
H49 H 0.44250 0.29220 0.13080
C96 C 0.4530(4) 0.2983(2) 0.2986(2)
H50 H 0.46210 0.31920 0.29330
C97 C 0.5547(3) 0.1438(3) -0.01741(19)
H51 H 0.57810 0.15540 -0.01120
C98 C 0.7607(3) 0.1116(2) 0.41958(18)
C99 C 0.3775(4) 0.0254(3) -0.05624(18)
H52 H 0.39310 0.00760 -0.04730
C100 C 0.5232(3) 0.2650(3) 0.10282(19)
H53 H 0.54660 0.27200 0.09590
C101 C 0.6396(3) 0.26305(19) 0.27362(18)
H54 H 0.65710 0.28070 0.27390
C102 C 0.6320(3) 0.3139(2) 0.4418(2)
H55 H 0.61340 0.30960 0.42130
H56 H 0.65820 0.31030 0.43680
H57 H 0.62950 0.33650 0.44900
C103 C 0.2773(3) 0.1452(2) -0.02231(18)
C104 C 0.5114(3) 0.1209(3) 0.36466(18)
H58 H 0.50600 0.09870 0.37260
H59 H 0.48760 0.13400 0.36370
C105 C 0.5199(3) 0.0922(2) -0.03445(16)
H60 H 0.52160 0.06960 -0.03910
C106 C 0.4551(3) -0.0304(3) 0.37027(14)
C107 C 0.5128(3) 0.2316(2) 0.10193(17)
C108 C 0.5869(2) 0.21138(19) 0.27296(15)
C109 C 0.5903(3) 0.1205(4) 0.06796(18)
C110 C 0.6511(3) 0.29649(19) 0.5032(2)
H61 H 0.64490 0.28070 0.52010
H62 H 0.64770 0.31860 0.51160
H63 H 0.67790 0.29350 0.49970
C111 C 0.3331(4) 0.1517(3) 0.33891(18)
C112 C 0.4031(3) 0.2629(3) 0.3140(2)
C113 C 0.7466(3) 0.0807(2) 0.41416(17)
H64 H 0.76310 0.06340 0.41010
C114 C 0.2346(3) 0.2515(2) 0.1387(3)
H65 H 0.24390 0.25710 0.11710
H66 H 0.24440 0.26810 0.15600
C115 C 0.5183(3) 0.2755(2) 0.29095(18)
C116 C 0.5116(4) 0.1941(3) -0.0156(2)
C117 C 0.3342(3) 0.1163(3) 0.34409(19)
C118 C 0.2703(4) 0.2007(3) -0.0391(2)
H67 H 0.25410 0.21870 -0.04620
C119 C 0.3375(4) 0.0226(4) -0.0629(2)
C120 C 0.3790(3) 0.1983(3) 0.32792(17)
C121 C 0.2974(3) 0.0664(4) 0.3471(2)
C122 C 0.2521(3) 0.1716(3) -0.0324(2)
C123 C 0.3532(3) 0.2252(3) 0.32891(19)
H68 H 0.32810 0.22150 0.33410
C124 C 0.2625(3) 0.1131(3) -0.01455(18)
C125 C 0.7526(3) 0.2444(3) 0.2480(3)
H69 H 0.74980 0.23340 0.22550
H70 H 0.76840 0.23040 0.26510
C126 C 0.6323(5) 0.1783(4) 0.0774(2)
H71 H 0.64540 0.19850 0.07960
C127 C 0.3642(4) 0.2556(3) 0.3225(2)
H72 H 0.34660 0.27300 0.32350
C128 C 0.4976(4) 0.2874(2) 0.1143(2)
H73 H 0.50460 0.30970 0.11600
C129 C 0.2888(3) -0.0752(2) 0.1717(3)
H74 H 0.27910 -0.06480 0.14950
H75 H 0.27480 -0.06600 0.18940
C130 C 0.5927(4) 0.1760(4) 0.0788(2)
C131 C 0.5432(3) -0.1335(2) 0.3828(2)
H76 H 0.52990 -0.13360 0.35890
H77 H 0.52370 -0.13370 0.39840
N29 N 0.3289(5) 0.1349(4) -0.1133(3)
C132 C 0.6301(5) 0.1199(4) 0.0674(2)
H78 H 0.64270 0.10010 0.06350
C133 C 0.2737(5) 0.0442(4) -0.0856(3)
H79 H 0.26370 0.02380 -0.08020
C134 C 0.6516(4) 0.1494(6) 0.0728(3)
H80 H 0.67870 0.14940 0.07310
C135 C 0.5822(4) 0.2938(2) 0.4763(2)
H81 H 0.57820 0.27870 0.49460
H82 H 0.56480 0.28810 0.45540
H83 H 0.57690 0.31600 0.48310
C136 C 0.1735(3) 0.2257(3) 0.1075(3)
H84 H 0.19290 0.21700 0.09460
H85 H 0.15270 0.23610 0.09180
H86 H 0.16280 0.20790 0.11960
C137 C 0.2978(3) 0.0997(4) 0.3434(2)
H87 H 0.27430 0.11160 0.34050
C138 C 0.3166(4) 0.0521(5) -0.0796(3)
C139 C 0.2676(6) 0.0992(6) -0.1096(4)
H88 H 0.25120 0.11520 -0.12150
C140 C 0.1923(4) 0.2509(3) 0.1335(4)
H89? H 0.19290 0.23460 0.15230
C141 C 0.3995(4) 0.3516(3) 0.2915(4)
H90 H 0.40890 0.34950 0.26940
H91 H 0.41960 0.36220 0.30820
C142 C 0.5232(3) 0.1190(5) 0.3292(2)
H92 H 0.53800 0.13910 0.32640
H93 H 0.54160 0.10070 0.32990
C143 C 0.8240(4) 0.0935(3) 0.4054(3)
H94 H 0.81080 0.08280 0.38440
H95 H 0.83180 0.07690 0.42310
C144 C 0.3364(4) -0.0297(3) -0.0326(3)
H96 H 0.35300 -0.01870 -0.01350
H97 H 0.35410 -0.04120 -0.04580
C145 C 0.5471(4) 0.2475(3) -0.0019(3)
H98 H 0.53600 0.25300 0.01890
H99 H 0.53070 0.25760 -0.02170
C146 C 0.5716(4) 0.2073(3) 0.08544(19)
C147 C 0.5721(6) -0.1640(3) 0.3900(5)
H100 H 0.58870 -0.16350 0.41290
C148 C 0.7726(4) 0.2791(3) 0.2460(5)
H101 H 0.77330 0.29100 0.26810
C149 C 0.2064(4) 0.0768(3) -0.0122(3)
H102 H 0.21680 0.06900 0.01100
H103 H 0.21090 0.06020 -0.02930
C150 C 0.3116(5) -0.0599(5) -0.0142(5)
H104 H 0.32470 -0.07720 0.00110
C151 C 0.7442(4) -0.0721(4) 0.1974(4)
H105 H 0.74430 -0.04880 0.20280
H106 H 0.72960 -0.07570 0.17460
H107 H 0.77080 -0.07960 0.19790
C152 C 0.7221(4) -0.1293(3) 0.2220(4)
H108 H 0.74810 -0.13840 0.22320
H109 H 0.70660 -0.13540 0.20030
H110 H 0.71010 -0.13790 0.24090
C153 C 0.7247(4) -0.0917(3) 0.2248(4)
H111 H 0.73880 -0.08620 0.24790
C154 C 0.2289(5) 0.0644(4) 0.3412(5)
H112 H 0.22860 0.08230 0.32440
H113 H 0.22100 0.07260 0.36260
C155 C 0.2836(5) -0.0680(5) -0.0531(5)
H114 H 0.26420 -0.08450 -0.05000
H115 H 0.30000 -0.07610 -0.06910
H116 H 0.27060 -0.04800 -0.06210
C156 C 0.7443(6) 0.2984(4) 0.2148(4)
H117 H 0.75400 0.32050 0.21260
H118 H 0.71800 0.29930 0.22010
H119 H 0.74430 0.28670 0.19330
C157 C 0.5444(4) -0.1942(2) 0.3843(4)
H120 H 0.53060 -0.19650 0.40390
H121 H 0.55950 -0.21390 0.38200
H122 H 0.52580 -0.19100 0.36350
O29 O 0.3527(3) 0.14778(19) -0.0937(2)
C158 C 0.2822(4) -0.0305(4) -0.0006(4)
H123 H 0.26250 -0.04100 0.01070
H124 H 0.26960 -0.01800 -0.02030
H125 H 0.29770 -0.01580 0.01550
C159 C 0.1564(5) 0.0881(5) -0.0160(5)
H126 H 0.14670 0.10620 -0.00280
C160 C 0.5922(7) -0.1622(4) 0.3631(6)
H127 H 0.61110 -0.14450 0.36700
H128 H 0.57420 -0.15790 0.34200
H129 H 0.60550 -0.18280 0.36080
C161 C 0.1495(5) 0.0862(5) -0.0618(4)
H130 H 0.15720 0.10690 -0.07100
H131 H 0.12220 0.08200 -0.07040
H132 H 0.16520 0.06860 -0.06910
O30 O 0.3190(5) 0.1457(4) -0.1393(3)
C162 C 0.3118(4) 0.1066(5) -0.1017(3)
C163 C 0.2505(9) 0.0697(7) -0.1000(6)
H133 H 0.22330 0.06750 -0.10330
C164 C 0.3010(6) -0.1257(4) 0.1447(8)
H134 H 0.29850 -0.14950 0.14430
H135 H 0.32840 -0.11980 0.14910
H136 H 0.28930 -0.11680 0.12260
C165 C 0.3582(7) 0.3720(4) 0.2874(7)
H137 H 0.35160 0.37450 0.31090
C166 C 0.1780(6) 0.2686(10) 0.1483(10)
H138 H 0.15000 0.26610 0.14260
H139 H 0.18540 0.29070 0.14290
H140 H 0.18590 0.26450 0.17280
C167 C 0.8154(5) 0.2716(6) 0.2392(7)
H141 H 0.82930 0.29210 0.23780
H142 H 0.81440 0.25960 0.21770
H143 H 0.82890 0.25840 0.25800
C168 C 0.2832(4) -0.1136(3) 0.1692(4)
H144 H 0.29240 -0.12430 0.19160
C169 C 0.8621(4) 0.1163(5) 0.3975(8)
H145 H 0.85880 0.13260 0.37860
C170 C 0.1977(5) 0.0236(8) 0.3614(8)
H146 H 0.18080 0.00450 0.35770
H147 H 0.18490 0.04080 0.37250
H148 H 0.22180 0.01750 0.37590
O31 O 0.3631(14) 0.3602(4) 0.1545(6)
O32 O 0.1984(6) 0.1680(3) 0.8474(10)
C171 C 0.2393(5) -0.1192(4) 0.1579(6)
H149 H 0.22520 -0.11210 0.17620
H150 H 0.23440 -0.14230 0.15320
H151 H 0.23050 -0.10660 0.13720
C172 C 0.5981(6) 0.2542(4) -0.0382(6)
H152 H 0.62460 0.26120 -0.03900
H153 H 0.58040 0.26650 -0.05500
H154 H 0.59570 0.23090 -0.04340
C173 C 0.5835(7) 0.3003(5) 0.0075(6)
H155 H 0.60900 0.31040 0.00900
H156 H 0.57330 0.30400 0.02880
H157 H 0.56600 0.31000 -0.01150
C174 C 0.3281(9) 0.3572(8) 0.2688(12)
H158 H 0.32280 0.33660 0.27980
H159 H 0.33400 0.35270 0.24590
H160 H 0.30540 0.37130 0.26710
C175 C 0.5872(6) 0.2609(5) 0.0011(5)
H161 H 0.60560 0.25010 0.01940
C176 C 0.1444(6) 0.0530(6) -0.0137(6)
H162 H 0.11640 0.05190 -0.01450
H163 H 0.15730 0.04370 0.00780
H164 H 0.15180 0.04080 -0.03290
C177 C 0.3735(8) 0.4074(5) 0.2767(8)
H165 H 0.39470 0.41460 0.29410
H166 H 0.35240 0.42310 0.27490
H167 H 0.38260 0.40560 0.25460
C178 C 0.1531(8) 0.0531(7) 0.3325(9)
H168 H 0.14190 0.06450 0.31160
H169 H 0.15550 0.06810 0.35190
H170 H 0.13640 0.03480 0.33660
C179 C 0.2064(10) 0.0358(17) 0.3272(9)
H171 H 0.21230 0.02180 0.30800
C180 C 0.8895(6) 0.0835(5) 0.3953(8)
H172 H 0.91460 0.09010 0.38990
H173 H 0.87690 0.06890 0.37740
H174 H 0.89290 0.07210 0.41730
C181 C 0.8834(8) 0.1282(7) 0.4406(10)
H175 H 0.90600 0.14200 0.43960
H176 H 0.89130 0.10870 0.45410
H177 H 0.86440 0.14030 0.45130
O33 O 0.4111(4) 0.0577(4) 0.2188(4)
O5A O 0.46735(14) 0.14356(11) 0.07733(11)
H4A H 0.48600 0.15650 0.07970
C63A C 0.5018(3) 0.11550(19) 0.19967(18)
H28A H 0.51890 0.13480 0.20190
H29A H 0.51810 0.09640 0.19670
C73A C 0.4864(3) 0.1112(3) 0.23425(17)
H34A H 0.46750 0.12880 0.23590
H35A H 0.47210 0.09040 0.23310
C86A C 0.4567(3) 0.13611(18) 0.11091(18)
H43A H 0.43430 0.12120 0.10770
H44A H 0.44860 0.15650 0.12110
C104A C 0.4886(3) 0.1209(3) 0.13534(18)
H58A H 0.49400 0.09870 0.12740
H59A H 0.51240 0.13400 0.13630
C142A C 0.4768(3) 0.1190(5) 0.1708(2)
H92A H 0.46200 0.13910 0.17360
H93A H 0.45840 0.10070 0.17010
#END
