
###########################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
###########################################################################
#
#  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.
#     
#  Copyright  2014  The Cambridge Crystallographic Data Centre
# 
#  This CIF is provided on the understanding that it is used for bona fide 
#  research purposes only.  It may contain copyright material of the CCDC
#  or of third parties, and may not be copied or further disseminated in 
#  any form, whether machine-readable or not, except for the purpose of 
#  generating routine backup copies on your local computer system.
# 
#  For further information about the CCDC, data deposition and data 
#  retrieval see <www.ccdc.cam.ac.uk>. Bona fide researchers may freely 
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###########################################################################

data_CSD_CIF_LENYAF
_audit_creation_date 2006-11-23
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD LENYAF
_database_code_depnum_ccdc_archive 'CCDC 299073'
_chemical_formula_sum 'C123.3 H121 N19 O23.75 S2.75'
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
_cell_length_a 21.7200(4)
_cell_length_b 24.4279(7)
_cell_length_c 29.4930(6)
_cell_angle_alpha 70.049(6)
_cell_angle_beta 70.624(7)
_cell_angle_gamma 59.770(5)
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
N 0.68
O 0.68
S 1.02
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.3959(9) 0.5890(6) 0.5527(5)
C1 C 0.3721(17) 0.5896(11) 0.5116(10)
N2 N 0.3636(11) 0.539(1) 0.5131(6)
C2 C 0.3389(12) 0.5431(8) 0.4749(7)
C3 C 0.3162(12) 0.5955(8) 0.4358(7)
C4 C 0.3151(10) 0.6501(7) 0.4404(6)
C5 C 0.3479(12) 0.6454(11) 0.4753(7)
O1 O 0.2973(7) 0.7052(5) 0.4039(4)
C6 C 0.3041(13) 0.7616(9) 0.3994(7)
C7 C 0.2766(9) 0.8023(7) 0.3517(5)
C8 C 0.2174(9) 0.8631(7) 0.3508(5)
C9 C 0.1962(10) 0.9020(7) 0.3065(7)
C10 C 0.2343(12) 0.880(1) 0.2631(5)
C11 C 0.2935(12) 0.8193(10) 0.2639(5)
C12 C 0.3147(9) 0.7804(8) 0.3082(6)
N3 N 0.3397(7) 0.4842(7) 0.4803(5)
C13 C 0.3225(10) 0.4685(7) 0.4480(6)
O2 O 0.300(1) 0.4977(6) 0.4105(4)
C14 C 0.3438(12) 0.3968(8) 0.4594(6)
N4 N 0.3557(11) 0.3617(8) 0.5039(6)
C15 C 0.3637(10) 0.3003(7) 0.5157(6)
C16 C 0.3499(13) 0.2748(10) 0.4856(7)
C17 C 0.3254(11) 0.3185(9) 0.4434(5)
C18 C 0.3108(8) 0.3844(8) 0.4327(6)
O3 O 0.3148(14) 0.2892(11) 0.4172(8)
C19 C 0.320(2) 0.2269(15) 0.4253(9)
C20 C 0.2838(15) 0.2331(12) 0.3848(8)
C21 C 0.2983(17) 0.2691(12) 0.3382(9)
C22 C 0.2933(18) 0.2566(15) 0.2973(8)
C23 C 0.2739(16) 0.2081(15) 0.303(1)
C24 C 0.2594(17) 0.1721(14) 0.3497(11)
C25 C 0.2644(17) 0.1846(14) 0.3906(9)
C26 C 0.3873(10) 0.2607(7) 0.5644(5)
O4 O 0.4066(9) 0.2012(6) 0.5776(6)
N5 N 0.3873(8) 0.2947(5) 0.5929(3)
C27 C 0.4092(11) 0.2751(8) 0.6384(5)
N6 N 0.3844(7) 0.3225(7) 0.6617(4)
C28 C 0.4044(9) 0.3029(6) 0.7052(4)
C29 C 0.4440(12) 0.2385(7) 0.7297(6)
C30 C 0.4661(10) 0.1913(7) 0.7032(6)
C31 C 0.4451(11) 0.2081(8) 0.6583(6)
O5 O 0.5125(7) 0.1266(6) 0.7171(3)
C32 C 0.5303(12) 0.1032(8) 0.7641(7)
C33 C 0.573(1) 0.0290(7) 0.7721(8)
C34 C 0.6474(10) 0.0009(9) 0.7538(8)
C35 C 0.6851(9) -0.0656(9) 0.7564(9)
C36 C 0.6484(13) -0.1040(7) 0.7772(9)
C37 C 0.5739(13) -0.0760(9) 0.7955(9)
C38 C 0.5363(9) -0.0095(10) 0.7930(9)
N7 N 0.3769(7) 0.3549(6) 0.7270(4)
C39 C 0.3950(11) 0.3544(8) 0.7670(7)
O6 O 0.4422(8) 0.3090(8) 0.7884(5)
C40 C 0.3545(14) 0.4191(10) 0.7806(10)
N8 N 0.3020(8) 0.4678(7) 0.7577(6)
C41 C 0.2743(10) 0.5260(8) 0.7666(7)
C42 C 0.2894(15) 0.5432(12) 0.8008(9)
C43 C 0.3386(13) 0.489(1) 0.8285(8)
C44 C 0.3711(16) 0.4283(12) 0.8182(10)
O7 O 0.3681(9) 0.4915(6) 0.8619(6)
C45 C 0.3313(15) 0.556(1) 0.8707(9)
C46 C 0.3528(11) 0.5509(11) 0.9170(8)
C47 C 0.4208(10) 0.5047(10) 0.9273(8)
C48 C 0.4410(13) 0.5010(13) 0.9687(9)
C49 C 0.3931(17) 0.5435(16) 0.9998(9)
C50 C 0.3251(16) 0.5897(15) 0.9895(9)
C51 C 0.3049(12) 0.5934(12) 0.9481(10)
C52 C 0.2057(11) 0.5756(9) 0.7481(8)
O8 O 0.1761(10) 0.6298(9) 0.7566(7)
N9 N 0.1845(9) 0.5626(8) 0.7165(5)
C53 C 0.1241(12) 0.6089(10) 0.6959(9)
N10 N 0.1111(9) 0.5758(8) 0.6743(7)
C54 C 0.0609(11) 0.6115(8) 0.6468(7)
C55 C 0.0292(13) 0.6789(9) 0.6312(8)
C56 C 0.0416(12) 0.7070(8) 0.6580(8)
C57 C 0.0929(13) 0.6761(10) 0.6888(9)
O9 O 0.0143(9) 0.7737(5) 0.6522(6)
C58 C -0.0373(9) 0.8132(6) 0.6208(6)
C59 C -0.0634(7) 0.8817(5) 0.6265(5)
C60 C -0.0152(6) 0.9082(6) 0.6152(6)
C61 C -0.0413(9) 0.9729(6) 0.6158(6)
C62 C -0.1157(10) 1.0111(5) 0.6279(7)
C63 C -0.1639(7) 0.9845(7) 0.6392(8)
C64 C -0.1377(6) 0.9198(7) 0.6385(6)
N11 N 0.0370(9) 0.5737(11) 0.6371(6)
C65 C -0.0044(11) 0.5892(8) 0.6035(7)
O10 O -0.0139(15) 0.6420(8) 0.5768(6)
C66 C -0.0026(13) 0.5313(8) 0.5941(7)
N12 N 0.0175(9) 0.4727(6) 0.6252(5)
C67 C 0.0092(14) 0.4268(9) 0.6171(8)
C68 C -0.0186(16) 0.4466(13) 0.5756(9)
C69 C -0.0448(16) 0.5004(12) 0.5385(9)
C70 C -0.0343(16) 0.5377(14) 0.5579(10)
O11 O -0.0665(11) 0.4983(10) 0.5012(5)
C71 C -0.1032(15) 0.5595(11) 0.4718(10)
C72 C -0.1359(10) 0.5458(10) 0.4414(6)
C73 C -0.1107(10) 0.5547(10) 0.3907(7)
C74 C -0.1455(12) 0.5505(10) 0.3610(5)
C75 C -0.2055(11) 0.5374(11) 0.3818(7)
C76 C -0.2307(10) 0.5285(11) 0.4325(7)
C77 C -0.1959(11) 0.5327(10) 0.4622(5)
C78 C 0.0377(12) 0.3602(9) 0.6494(7)
O12 O 0.0379(9) 0.3134(8) 0.6428(6)
N13 N 0.0474(9) 0.3656(7) 0.6901(6)
C79 C 0.0674(10) 0.3102(7) 0.7251(5)
N14 N 0.0736(9) 0.3263(6) 0.7637(6)
C80 C 0.0968(12) 0.2786(8) 0.8048(6)
C81 C 0.1138(14) 0.2148(7) 0.8073(6)
C82 C 0.1075(14) 0.1987(6) 0.7687(7)
C83 C 0.0843(13) 0.2463(8) 0.7276(6)
O13 O 0.1437(17) 0.1332(9) 0.7615(11)
C84 C 0.077(2) 0.1273(15) 0.785(2)
C85 C 0.103(4) 0.0530(17) 0.803(2)
C86 C 0.068(4) 0.028(3) 0.847(2)
C87 C 0.086(6) -0.038(3) 0.859(3)
C88 C 0.139(6) -0.0786(18) 0.828(4)
C89 C 0.175(5) -0.053(2) 0.784(4)
C90 C 0.157(4) 0.013(2) 0.771(3)
N15 N 0.0888(12) 0.3009(11) 0.8444(6)
C91 C 0.1269(11) 0.2616(8) 0.8808(7)
O14 O 0.171(1) 0.2050(6) 0.8896(6)
C92 C 0.1123(14) 0.3019(10) 0.9151(9)
C93 C 0.1571(15) 0.2820(12) 0.9475(9)
C94 C 0.1449(11) 0.3207(9) 0.9782(8)
C95 C 0.0893(10) 0.3838(8) 0.9787(7)
C96 C 0.0548(15) 0.3995(12) 0.9398(10)
N16 N 0.0615(10) 0.3642(8) 0.9116(7)
O15 O 0.1926(9) 0.2858(8) 1.0094(5)
C97 C 0.1827(13) 0.3217(11) 1.0428(8)
C98 C 0.2361(11) 0.2890(12) 1.0777(7)
C99 C 0.2104(11) 0.2922(13) 1.1270(8)
C100 C 0.2573(14) 0.2559(13) 1.1601(7)
C101 C 0.3299(14) 0.2164(12) 1.1437(9)
C102 C 0.3556(11) 0.2132(12) 1.0944(10)
C103 C 0.3087(12) 0.2495(13) 1.0613(7)
C104 C -0.0096(12) 0.4654(10) 0.9367(8)
O16 O -0.0272(9) 0.5043(9) 0.9618(6)
N17 N -0.0436(8) 0.4870(7) 0.8984(5)
C105 C -0.1034(11) 0.5410(8) 0.8797(7)
N18 N -0.1215(9) 0.5426(11) 0.8403(6)
C106 C -0.1839(12) 0.5915(9) 0.8281(8)
C107 C -0.2077(15) 0.6462(12) 0.8453(9)
C108 C -0.1926(12) 0.6511(9) 0.8857(8)
C109 C -0.1309(11) 0.5939(8) 0.8989(8)
N19 N -0.1905(12) 0.5806(11) 0.7893(6)
O17 O -0.2301(12) 0.7132(7) 0.8923(7)
C110 C -0.2041(19) 0.7198(16) 0.9265(13)
C111 C -0.268(2) 0.7845(15) 0.9379(11)
C112 C -0.284(2) 0.8393(17) 0.8999(12)
C113 C -0.323(3) 0.9007(15) 0.9105(19)
C114 C -0.347(2) 0.9074(18) 0.959(2)
C115 C -0.332(2) 0.853(2) 0.9971(16)
C116 C -0.292(2) 0.7913(19) 0.9865(11)
N20 N -0.0901(10) 0.3982(7) 0.8361(4)
C117 C -0.1007(14) 0.3903(8) 0.7941(8)
N21 N -0.1177(10) 0.4471(8) 0.7618(6)
C118 C -0.1375(17) 0.4515(10) 0.7221(9)
C119 C -0.1337(16) 0.4012(9) 0.7083(9)
C120 C -0.1193(12) 0.3429(7) 0.7422(6)
C121 C -0.0967(12) 0.3362(9) 0.7846(7)
O18 O -0.1004(10) 0.2811(7) 0.7379(5)
C122 C -0.1088(13) 0.2841(9) 0.6908(6)
C123 C -0.0903(14) 0.2155(9) 0.6894(9)
C124 C -0.0410(16) 0.1625(11) 0.7167(11)
C125 C -0.019(2) 0.1001(10) 0.7124(15)
C126 C -0.047(2) 0.0906(11) 0.6809(15)
C127 C -0.096(2) 0.1436(15) 0.6536(13)
C128 C -0.1178(16) 0.2060(13) 0.6579(10)
N22 N -0.1598(12) 0.5157(8) 0.6972(9)
C129 C -0.178(2) 0.5342(12) 0.6529(10)
O19 O -0.195(1) 0.509(1) 0.6321(8)
C130 C -0.1913(16) 0.6037(11) 0.6296(10)
N23 N -0.1821(12) 0.6372(9) 0.6511(6)
C131 C -0.191(1) 0.6972(8) 0.6338(6)
C132 C -0.2189(12) 0.7318(10) 0.5916(7)
C133 C -0.2280(14) 0.7017(10) 0.5633(8)
C134 C -0.2231(19) 0.6412(13) 0.5891(11)
O20 O -0.2563(12) 0.7310(12) 0.5214(7)
C135 C -0.268(2) 0.7969(14) 0.5011(10)
C136 C -0.2773(19) 0.8078(14) 0.4493(10)
C137 C -0.272(2) 0.8604(16) 0.4134(12)
C138 C -0.282(3) 0.871(2) 0.3664(11)
C139 C -0.297(3) 0.829(3) 0.3553(12)
C140 C -0.303(3) 0.776(2) 0.3911(16)
C141 C -0.293(2) 0.7656(17) 0.4381(14)
C142 C -0.1638(13) 0.7230(9) 0.6586(7)
O21 O -0.1805(13) 0.7815(7) 0.6502(6)
N24 N -0.1362(11) 0.6869(7) 0.6998(6)
C143 C -0.1090(8) 0.6946(7) 0.7333(5)
N25 N -0.0603(7) 0.6424(6) 0.7561(5)
C144 C -0.0469(9) 0.6624(7) 0.7880(6)
C145 C -0.0674(11) 0.7228(8) 0.7954(7)
C146 C -0.1189(8) 0.7688(7) 0.7663(5)
C147 C -0.1454(12) 0.7577(9) 0.7347(8)
O22 O -0.1521(12) 0.8289(7) 0.7752(7)
C148 C -0.165(2) 0.841(2) 0.8221(10)
C149 C -0.111(2) 0.869(2) 0.8093(13)
C150 C -0.107(3) 0.894(3) 0.8441(17)
C151 C -0.057(3) 0.918(3) 0.833(2)
C152 C -0.011(3) 0.918(3) 0.788(3)
C153 C -0.015(3) 0.894(3) 0.753(2)
C154 C -0.065(3) 0.869(3) 0.7636(15)
N26 N 0.0113(10) 0.6080(8) 0.8085(6)
C155 C 0.0415(9) 0.6060(7) 0.8433(6)
O23 O 0.0156(6) 0.6505(6) 0.8637(6)
C156 C 0.0986(9) 0.5391(7) 0.8597(6)
N27 N 0.1291(7) 0.4903(6) 0.8363(5)
C157 C 0.1845(7) 0.4339(6) 0.8502(5)
C158 C 0.2164(11) 0.4214(9) 0.8892(6)
C159 C 0.1832(12) 0.4695(10) 0.9157(7)
C160 C 0.1239(15) 0.5263(13) 0.9014(10)
O24 O 0.2044(7) 0.4664(7) 0.9552(4)
C161 C 0.1737(11) 0.5123(8) 0.9863(6)
C162 C 0.2018(10) 0.4773(9) 1.0346(6)
C163 C 0.2745(9) 0.4549(10) 1.0349(6)
C164 C 0.3016(10) 0.4163(10) 1.0774(7)
C165 C 0.2559(13) 0.4001(10) 1.1197(6)
C166 C 0.1831(12) 0.4225(12) 1.1193(6)
C167 C 0.1561(9) 0.4611(11) 1.0768(7)
C168 C 0.2174(10) 0.3799(7) 0.8236(6)
O25 O 0.2597(9) 0.3244(5) 0.8406(4)
N28 N 0.1933(8) 0.3966(8) 0.7827(4)
C169 C 0.2111(10) 0.3554(6) 0.7519(5)
N29 N 0.1986(9) 0.3899(7) 0.7074(4)
C170 C 0.2112(11) 0.3589(7) 0.6728(5)
C171 C 0.2471(15) 0.2919(9) 0.6814(8)
C172 C 0.2647(13) 0.2575(9) 0.7279(7)
C173 C 0.2450(9) 0.2888(7) 0.7653(6)
O26 O 0.2946(10) 0.1913(8) 0.7360(6)
C174 C 0.3160(18) 0.1528(10) 0.7811(8)
C175 C 0.3385(14) 0.0861(9) 0.7726(8)
C176 C 0.3853(14) 0.0674(11) 0.7295(7)
C177 C 0.4150(15) 0.0036(12) 0.7252(9)
C178 C 0.3980(16) -0.0415(9) 0.7640(11)
C179 C 0.3512(17) -0.0228(11) 0.8071(10)
C180 C 0.3214(15) 0.0410(12) 0.8115(8)
N30 N 0.1975(9) 0.3963(7) 0.6252(5)
C181 C 0.1859(10) 0.3842(7) 0.5882(5)
O27 O 0.1994(10) 0.3305(6) 0.5854(5)
C182 C 0.1716(10) 0.4390(7) 0.5447(5)
N31 N 0.1654(8) 0.4959(5) 0.5457(5)
C183 C 0.1514(13) 0.5417(9) 0.5038(6)
C184 C 0.1454(13) 0.5276(10) 0.4636(8)
C185 C 0.1409(11) 0.4719(8) 0.4644(6)
C186 C 0.1603(11) 0.4269(9) 0.5066(6)
O28 O 0.1356(8) 0.4607(7) 0.4243(4)
C187 C 0.1224(14) 0.5107(9) 0.3796(6)
C188 C 0.1281(9) 0.4728(7) 0.3465(5)
C189 C 0.1844(9) 0.4656(9) 0.3055(6)
C190 C 0.1930(9) 0.4326(10) 0.2720(6)
C191 C 0.1453(10) 0.4068(8) 0.2795(5)
C192 C 0.0890(9) 0.4140(9) 0.3204(6)
C193 C 0.0804(9) 0.4470(9) 0.3539(5)
C194 C 0.1458(13) 0.6069(8) 0.5017(7)
O29 O 0.1174(8) 0.6514(6) 0.4680(4)
N32 N 0.1670(8) 0.6152(7) 0.5367(4)
C195 C 0.1747(9) 0.6682(7) 0.5382(6)
N33 N 0.2104(8) 0.6530(6) 0.5738(4)
C196 C 0.2087(10) 0.7037(7) 0.5812(6)
C197 C 0.1708(8) 0.7664(7) 0.5578(5)
C198 C 0.1301(7) 0.7808(5) 0.5238(4)
C199 C 0.1286(9) 0.7295(6) 0.5165(6)
O30 O 0.1021(7) 0.8427(5) 0.4966(4)
C200 C 0.0553(12) 0.8527(8) 0.4657(8)
C201 C 0.0176(11) 0.9264(6) 0.4480(5)
C202 C 0.0182(10) 0.9538(7) 0.3981(5)
C203 C -0.0232(11) 1.0199(7) 0.3828(5)
C204 C -0.0651(10) 1.0587(6) 0.4172(6)
C205 C -0.0657(10) 1.0313(7) 0.4670(6)
C206 C -0.0243(11) 0.9651(8) 0.4824(5)
N34 N 0.2491(10) 0.6869(7) 0.6169(6)
C207 C 0.2484(10) 0.7237(8) 0.6424(6)
O31 O 0.2085(7) 0.7810(6) 0.6352(5)
C208 C 0.3009(15) 0.6861(11) 0.6781(10)
C209 C 0.2892(18) 0.7184(15) 0.7136(11)
C210 C 0.340(2) 0.6815(17) 0.7441(14)
C211 C 0.391(2) 0.6203(16) 0.7390(13)
C212 C 0.3946(13) 0.5869(11) 0.7071(9)
N35 N 0.3449(12) 0.6231(9) 0.6786(8)
O32 O 0.3518(12) 0.7006(8) 0.7772(7)
C213 C 0.3045(17) 0.7659(12) 0.7821(11)
C214 C 0.3271(16) 0.7680(14) 0.8255(9)
C215 C 0.3059(16) 0.7375(14) 0.8729(10)
C216 C 0.328(2) 0.7375(17) 0.9120(8)
C217 C 0.372(2) 0.7678(18) 0.9037(11)
C218 C 0.3929(17) 0.7983(16) 0.8562(13)
C219 C 0.3706(16) 0.7984(14) 0.8171(10)
C220 C 0.4423(17) 0.5155(12) 0.7069(10)
O33 O 0.4809(13) 0.4955(12) 0.7373(9)
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N76 N 1.078(1) 0.2352(8) 0.1157(6)
O68 O 1.0888(11) 0.1313(9) -0.0015(8)
C458 C 1.1486(14) 0.0703(10) 0.0107(9)
C459 C 1.1717(19) 0.0204(12) -0.0191(9)
C460 C 1.187(2) -0.0438(12) 0.0040(12)
C461 C 1.200(3) -0.0870(14) -0.0227(17)
C462 C 1.198(3) -0.066(2) -0.0726(17)
C463 C 1.183(2) -0.002(2) -0.0958(11)
C464 C 1.170(2) 0.0413(15) -0.0690(9)
O69 O 0.2477(10) 0.0905(7) 0.1786(6)
O70 O 0.398(2) 0.7372(18) 0.5654(14)
C465 C 0.406(3) 0.699(2) 0.5340(18)
O71? O 0.1886(9) 0.1175(8) 0.1509(6)
O72 O 0.2926(16) 0.4750(15) 0.6209(7)
O73 O 0.8600(18) 0.3479(16) 0.1411(12)
O74 O 0.155(3) 0.698(3) 0.863(2)
O75 O 1.0977(14) 0.6731(11) 0.0381(9)
C466 C 0.652(7) 0.899(8) 0.236(6)
O76 O 0.708(4) 0.908(4) 0.245(3)
C467 C 0.9114(19) 0.6982(19) 0.3938(15)
O77 O 0.9891(18) 0.6601(16) 0.3798(13)
S1 S 0.1912(7) 0.6595(6) 0.3374(5)
O78 O 0.225(2) 0.680(3) 0.2872(11)
C468 C 0.158(2) 0.724(2) 0.369(2)
C469 C 0.1059(12) 0.6662(15) 0.3377(11)
S2 S 0.7001(12) 0.1672(9) 0.5708(8)
O79 O 0.662(2) 0.149(2) 0.6205(12)
C470 C 0.7830(18) 0.161(2) 0.5750(17)
C471 C 0.7390(16) 0.0969(13) 0.5436(11)
O80 O 0.265(2) 0.105(2) 0.6018(17)
C472 C 0.241(3) 0.173(2) 0.602(2)
C473 C 0.050(2) 0.5044(19) 0.7544(14)
O81 O 0.0177(19) 0.4625(16) 0.7894(12)
O82 O 0.470(4) 0.753(3) 0.421(2)
S3 S 0.7513(17) 0.1186(14) 0.0603(12)
O83 O 0.787(2) 0.105(2) 0.0136(12)
C474 C 0.665(2) 0.117(4) 0.079(2)
C475 C 0.793(3) 0.054(3) 0.1085(17)
S4 S 0.4804(14) 0.0725(12) 0.3545(9)
O84 O 0.474(2) 0.1082(18) 0.3857(13)
C476 C 0.408(5) 0.048(5) 0.375(3)
C477 C 0.455(9) 0.125(5) 0.297(2)
S5 S 0.6361(14) -0.2604(10) 0.7310(9)
O85 O 0.6553(17) -0.2614(13) 0.7734(9)
C478 C 0.611(3) -0.1775(15) 0.6935(13)
C479 C 0.718(4) -0.298(3) 0.6882(17)
S6 S 0.407(2) 0.1574(19) 0.8809(13)
O86 O 0.410(5) 0.216(2) 0.876(5)
C480 C 0.483(4) 0.088(3) 0.903(3)
C481 C 0.337(5) 0.147(6) 0.932(5)
S7 S 0.485(3) 0.653(3) 0.023(2)
O87 O 0.519(5) 0.618(4) -0.015(3)
C482 C 0.523(6) 0.708(5) 0.013(4)
C483 C 0.394(3) 0.714(6) 0.015(6)
S8 S 0.601(3) 0.344(2) 0.2884(17)
O88 O 0.678(3) 0.319(3) 0.284(3)
C484 C 0.571(8) 0.416(3) 0.241(5)
C485 C 0.583(2) 0.2944(16) 0.2660(13)
S9 S 0.634(5) 0.697(4) 0.316(3)
O89 O 0.572(6) 0.703(6) 0.354(3)
C486 C 0.687(6) 0.614(4) 0.310(4)
C487 C 0.608(6) 0.730(4) 0.257(3)
C488 C 0.476(5) -0.197(4) 0.663(3)
O90 O 0.401(5) -0.181(5) 0.686(4)
C489 C 0.443(4) 0.993(4) 0.219(3)
O91 O 0.436(4) 1.056(4) 0.218(3)
S10 S -0.066(3) 0.185(2) 0.900(2)
O92 O -0.002(4) 0.131(5) 0.884(5)
C490 C -0.145(5) 0.183(8) 0.894(8)
C491 C -0.086(10) 0.171(13) 0.966(3)
O93 O 0.357(5) 0.004(5) 1.013(3)
O94 O 0.337(5) 0.940(5) 0.352(4)
O95? O 0.297(2) 1.059(2) 0.0381(15)
S11 S 0.943(3) 0.665(3) 0.005(2)
O96 O 0.892(6) 0.643(5) 0.008(3)
C492 C 0.941(7) 0.728(4) -0.051(2)
C493 C 0.903(7) 0.720(5) 0.047(3)
#END
