
###########################################################################
#
#                 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 
#  download  Mercury and enCIFer from this site to visualise CIF-encoded 
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###########################################################################

data_CSD_CIF_NEVWOB
_audit_creation_date 2007-03-09
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD NEVWOB
_database_code_depnum_ccdc_archive 'CCDC 609463'
_chemical_formula_sum 'C489 H602 Cl12 N70 O118'
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 28.1917(13)
_cell_length_b 29.8945(13)
_cell_length_c 36.8224(15)
_cell_angle_alpha 78.369(3)
_cell_angle_beta 80.612(3)
_cell_angle_gamma 71.172(3)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Cl 0.99
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
C1 C 0.2828(4) 1.1132(4) 0.6214(3)
N1 N 0.2455(4) 1.1047(3) 0.6032(3)
C2 C 0.2532(6) 1.0868(4) 0.5726(4)
O1 O 0.2969(4) 1.0721(3) 0.5566(2)
C3 C 0.2068(5) 1.0823(4) 0.5613(3)
N2 N 0.1618(4) 1.1008(3) 0.5787(2)
C4 C 0.1210(5) 1.0941(4) 0.5695(3)
C5 C 0.1248(6) 1.0667(5) 0.5430(3)
C6 C 0.1711(6) 1.0453(5) 0.5237(4)
C7 C 0.2127(5) 1.0523(4) 0.5339(3)
O2 O 0.1712(4) 1.0203(3) 0.4971(3)
C8 C 0.2199(6) 0.9944(6) 0.4797(4)
C9 C 0.2092(7) 0.9739(7) 0.4486(5)
C10 C 0.2616(7) 0.9543(8) 0.4312(6)
C11 C 0.1881(9) 0.9350(8) 0.4691(6)
C12 C 0.0750(6) 1.1177(5) 0.5867(3)
C13 C 0.0303(5) 1.1121(4) 0.5801(3)
C14 C 0.0372(6) 1.0791(5) 0.5543(4)
C15 C 0.0779(6) 1.0582(5) 0.5353(4)
N3 N 0.0760(4) 1.1481(3) 0.6110(3)
C16 C 0.0359(7) 1.1715(5) 0.6343(4)
O3 O -0.0061(4) 1.1690(3) 0.6422(2)
C17 C 0.0548(5) 1.2080(4) 0.6519(4)
N4 N 0.0989(4) 1.2136(3) 0.6378(3)
C18 C 0.1132(5) 1.2445(4) 0.6530(4)
C19 C 0.0864(5) 1.2651(4) 0.6836(4)
C20 C 0.0395(6) 1.2579(5) 0.6965(4)
C21 C 0.0216(5) 1.2285(4) 0.6806(4)
O4 O 0.0124(3) 1.2812(3) 0.7238(3)
C22 C -0.0348(5) 1.2755(5) 0.7390(4)
C23 C -0.0616(6) 1.3099(5) 0.7675(4)
C24 C -0.0724(6) 1.3614(5) 0.7468(4)
C25 C -0.0229(5) 1.3021(5) 0.7943(4)
C26 C 0.1597(6) 1.2536(4) 0.6385(4)
C27 C 0.1789(6) 1.2815(4) 0.6517(4)
C28 C 0.1482(6) 1.3006(5) 0.6840(4)
C29 C 0.1028(6) 1.2948(4) 0.7006(4)
N5 N 0.1830(4) 1.2351(3) 0.6051(3)
C30 C 0.2273(7) 1.2364(5) 0.5861(5)
O5 O 0.2582(3) 1.2511(3) 0.5970(2)
C31 C 0.2422(6) 1.2153(5) 0.5516(5)
N6 N 0.2051(4) 1.2073(4) 0.5377(3)
C32 C 0.2173(7) 1.1863(5) 0.5065(4)
C33 C 0.2663(7) 1.1734(6) 0.4889(5)
C34 C 0.3040(7) 1.1850(6) 0.5017(5)
C35 C 0.2911(6) 1.2058(5) 0.5338(4)
O6 O 0.3497(5) 1.1782(5) 0.4817(3)
C36 C 0.3887(8) 1.1932(9) 0.4916(5)
C37 C 0.4305(9) 1.2003(13) 0.4592(7)
C38 C 0.4598(14) 1.1488(13) 0.4590(13)
C39 C 0.4616(11) 1.2240(13) 0.4758(9)
C40 C 0.1763(7) 1.1802(5) 0.4913(4)
C41 C 0.1885(8) 1.1570(5) 0.4610(4)
C42 C 0.2403(9) 1.1438(7) 0.4451(5)
C43 C 0.2788(8) 1.1547(7) 0.4593(6)
N7 N 0.1292(5) 1.1968(4) 0.5089(3)
C44 C 0.0865(7) 1.1956(5) 0.5011(5)
O7 O 0.0806(4) 1.1764(4) 0.4761(3)
C45 C 0.0412(6) 1.2228(5) 0.5241(4)
N8 N 0.0487(4) 1.2542(4) 0.5427(3)
C46 C 0.0105(6) 1.2754(5) 0.5672(4)
C47 C -0.0364(7) 1.2641(5) 0.5728(5)
C48 C -0.0441(7) 1.2347(6) 0.5500(5)
C49 C -0.0038(6) 1.2150(5) 0.5256(4)
O8 O -0.0904(5) 1.2282(4) 0.5575(4)
C50 C -0.0954(6) 1.1975(7) 0.5339(5)
C51 C -0.1441(7) 1.1864(9) 0.5454(7)
C52 C -0.1450(8) 1.1578(9) 0.5829(6)
C53 C -0.1869(7) 1.2187(13) 0.5291(8)
C54 C 0.0153(7) 1.3103(5) 0.5869(5)
C55 C -0.0188(7) 1.3286(5) 0.6126(4)
C56 C -0.0645(7) 1.3154(5) 0.6212(5)
C57 C -0.0719(6) 1.2860(5) 0.5998(5)
N9 N 0.0611(5) 1.3177(4) 0.5751(3)
C58 C 0.0803(8) 1.3524(6) 0.5887(5)
O9 O 0.0596(5) 1.3704(4) 0.6134(3)
C59 C 0.1282(8) 1.3524(5) 0.5666(5)
N10 N 0.1438(5) 1.3338(4) 0.5353(4)
C60 C 0.1891(7) 1.3336(5) 0.5200(5)
C61 C 0.2231(7) 1.3513(6) 0.5315(5)
C62 C 0.2053(8) 1.3712(6) 0.5647(6)
C63 C 0.1583(7) 1.3737(5) 0.5810(5)
O10 O 0.2381(5) 1.3874(5) 0.5803(4)
C64 C 0.2217(8) 1.4098(8) 0.6127(6)
C65 C 0.2622(7) 1.4188(8) 0.6317(6)
C66 C 0.290(1) 1.3669(9) 0.6450(8)
C67 C 0.2912(10) 1.4400(9) 0.5986(5)
C68 C 0.2068(7) 1.3177(6) 0.4860(6)
C69 C 0.2564(7) 1.3114(6) 0.4683(5)
C70 C 0.2881(8) 1.3297(7) 0.4837(6)
C71 C 0.2717(8) 1.3517(7) 0.5181(6)
N11 N 0.1729(5) 1.3030(4) 0.4685(4)
C72 C 0.1810(9) 1.2876(6) 0.4357(6)
O11 O 0.2216(5) 1.2750(4) 0.4167(3)
C73 C 0.1358(8) 1.2793(6) 0.4252(5)
N12 N 0.0877(6) 1.2961(4) 0.4418(3)
C74 C 0.0495(8) 1.2876(6) 0.4293(5)
C75 C 0.0578(8) 1.2595(7) 0.3996(5)
C76 C 0.1070(8) 1.2460(7) 0.3819(6)
C77 C 0.1461(7) 1.2550(6) 0.3942(5)
O12 O 0.1127(6) 1.2261(5) 0.3503(4)
C78 C 0.1613(8) 1.2093(8) 0.3303(6)
C79 C 0.1577(10) 1.1912(9) 0.2963(6)
C80 C 0.1267(9) 1.2350(9) 0.2735(7)
C81 C 0.2120(9) 1.1797(12) 0.2745(8)
C82 C 0.0017(9) 1.3061(6) 0.4484(5)
C83 C -0.0401(8) 1.2977(7) 0.4357(5)
C84 C -0.0299(8) 1.2668(7) 0.4100(6)
C85 C 0.0206(9) 1.2526(8) 0.3880(6)
N13 N -0.0034(5) 1.3365(4) 0.4724(3)
C86 C -0.0446(9) 1.3606(6) 0.4898(5)
O13 O -0.0890(5) 1.3604(4) 0.4913(3)
C87 C -0.0354(7) 1.3960(6) 0.5133(5)
N14 N 0.0094(5) 1.4045(4) 0.5012(3)
C88 C 0.0161(8) 1.4344(5) 0.5234(5)
C89 C -0.0140(7) 1.4556(5) 0.5525(5)
C90 C -0.0585(7) 1.4417(6) 0.5596(5)
C91 C -0.0727(7) 1.4144(5) 0.5407(5)
O14 O -0.0890(5) 1.4595(3) 0.5911(3)
C92 C -0.1395(6) 1.4545(6) 0.6010(5)
C93 C -0.1639(7) 1.4693(6) 0.6373(4)
C94 C -0.2199(6) 1.4760(6) 0.6418(5)
C95 C -0.1367(7) 1.4288(6) 0.6661(5)
C96 C 0.0625(7) 1.4474(5) 0.5108(5)
C97 C 0.0723(7) 1.4780(5) 0.5305(5)
C98 C 0.0435(7) 1.4941(5) 0.5615(5)
C99 C -0.0071(7) 1.4841(5) 0.5714(5)
N15 N 0.0900(6) 1.4331(4) 0.4775(4)
C100 C 0.1339(8) 1.4342(6) 0.4599(6)
O15 O 0.1620(5) 1.4529(4) 0.4748(3)
C101 C 0.1481(7) 1.4157(5) 0.4246(6)
N16 N 0.1136(6) 1.4078(5) 0.4063(4)
C102 C 0.1285(11) 1.3903(7) 0.3736(6)
C103 C 0.1800(11) 1.3809(8) 0.3604(7)
C104 C 0.2136(9) 1.3900(7) 0.3800(6)
C105 C 0.1978(7) 1.4116(5) 0.4116(5)
O16 O 0.2616(7) 1.3796(5) 0.3592(4)
C106 C 0.2999(8) 1.3861(9) 0.3760(6)
C107 C 0.3478(9) 1.3789(9) 0.3492(6)
C108 C 0.3914(10) 1.3832(12) 0.3673(6)
C109 C 0.3390(9) 1.4152(10) 0.3141(6)
C110 C 0.0933(11) 1.3806(6) 0.3573(5)
C111 C 0.1095(9) 1.3619(7) 0.3240(6)
C112 C 0.1612(12) 1.3500(9) 0.3097(7)
C113 C 0.1947(10) 1.3586(8) 0.3290(7)
N17 N 0.0390(14) 1.3996(14) 0.3678(9)
O17 O 0.0130(7) 1.3790(7) 0.3590(4)
O18 O 0.0229(9) 1.4221(10) 0.3922(6)
C114 C 0.1446(4) 1.1318(4) 0.7196(3)
N18 N 0.1376(4) 1.0963(3) 0.7012(2)
C115 C 0.0945(6) 1.0875(4) 0.7040(3)
O19 O 0.0548(3) 1.1027(3) 0.7239(2)
C116 C 0.0937(5) 1.0513(4) 0.6787(3)
N19 N 0.1377(4) 1.0292(3) 0.6613(2)
C117 C 0.1390(5) 0.9983(4) 0.6377(3)
C118 C 0.0947(5) 0.9918(4) 0.6317(3)
C119 C 0.0491(5) 1.0149(4) 0.6512(3)
C120 C 0.0489(5) 1.0454(4) 0.6741(3)
O20 O 0.0069(3) 1.0063(3) 0.6436(2)
C121 C -0.0404(4) 1.0310(5) 0.6609(4)
C122 C -0.0786(5) 1.0079(6) 0.6521(4)
C123 C -0.0679(7) 0.9540(6) 0.6667(4)
C124 C -0.0768(7) 1.0136(6) 0.6092(4)
C125 C 0.1856(5) 0.9756(4) 0.6204(3)
C126 C 0.1874(5) 0.9472(4) 0.5936(3)
C127 C 0.1427(6) 0.9400(4) 0.5863(4)
C128 C 0.0983(6) 0.9605(4) 0.6042(4)
N20 N 0.2266(4) 0.9843(3) 0.6311(2)
C129 C 0.2748(6) 0.9690(4) 0.6195(4)
O21 O 0.2956(3) 0.9458(3) 0.5933(2)
C130 C 0.3089(5) 0.9799(4) 0.6428(3)
N21 N 0.2860(4) 0.9950(3) 0.6737(3)
C131 C 0.3139(6) 1.0093(4) 0.6938(4)
C132 C 0.3634(6) 1.0074(4) 0.6835(4)
C133 C 0.3876(6) 0.9887(4) 0.6509(4)
C134 C 0.3591(5) 0.9768(4) 0.6299(3)
O22 O 0.4363(4) 0.9856(3) 0.6415(2)
C135 C 0.4643(6) 0.9633(5) 0.6111(4)
C136 C 0.5204(6) 0.9531(7) 0.6130(6)
C137 C 0.5270(7) 1.0020(6) 0.6082(6)
C138 C 0.5473(9) 0.9300(8) 0.5790(7)
C139 C 0.2884(6) 1.0236(4) 0.7295(4)
C140 C 0.3129(5) 1.0412(4) 0.7493(3)
C141 C 0.3635(6) 1.0417(4) 0.7375(4)
C142 C 0.3873(5) 1.0265(4) 0.7065(4)
N22 N 0.2397(4) 1.0184(3) 0.7412(3)
C143 C 0.2072(6) 1.0283(4) 0.7700(4)
O23 O 0.2132(3) 1.0499(2) 0.7929(2)
C144 C 0.1638(5) 1.0111(4) 0.7726(3)
N23 N 0.1662(4) 0.9789(3) 0.7514(2)
C145 C 0.1250(5) 0.9637(4) 0.7524(3)
C146 C 0.0807(5) 0.9805(4) 0.7750(3)
C147 C 0.0797(5) 1.0116(5) 0.7992(4)
C148 C 0.1216(5) 1.0267(4) 0.7977(3)
O24 O 0.0383(3) 1.0245(3) 0.8233(3)
C149 C 0.0389(5) 1.0517(5) 0.8508(3)
C150 C -0.0082(5) 1.0553(5) 0.8785(4)
C151 C -0.0051(6) 1.0827(7) 0.9084(5)
C152 C -0.0547(6) 1.0851(6) 0.8583(4)
C153 C 0.1277(6) 0.9307(4) 0.7285(4)
C154 C 0.0853(6) 0.9192(4) 0.7263(4)
C155 C 0.0408(6) 0.9380(5) 0.7474(4)
C156 C 0.0370(5) 0.9659(4) 0.7724(4)
N24 N 0.1759(4) 0.9131(3) 0.7106(3)
C157 C 0.1928(7) 0.8785(5) 0.6876(4)
O25 O 0.1619(3) 0.8634(3) 0.6757(2)
C158 C 0.2451(7) 0.8653(4) 0.6766(4)
N25 N 0.2753(5) 0.8766(3) 0.6952(3)
C159 C 0.3257(6) 0.8674(5) 0.6871(4)
C160 C 0.3471(7) 0.8433(5) 0.6555(4)
C161 C 0.3164(6) 0.8276(5) 0.6367(4)
C162 C 0.2659(6) 0.8404(4) 0.6475(4)
O26 O 0.3418(4) 0.8042(4) 0.6067(3)
C163 C 0.3122(6) 0.7838(6) 0.5907(4)
C164 C 0.3460(8) 0.7475(7) 0.5655(6)
C165 C 0.3098(10) 0.7252(10) 0.5542(8)
C166 C 0.3834(9) 0.7086(9) 0.5876(8)
C167 C 0.3537(7) 0.8795(5) 0.7095(5)
C168 C 0.4034(6) 0.8729(5) 0.6977(4)
C169 C 0.4225(7) 0.8523(5) 0.6676(5)
C170 C 0.4033(7) 0.8341(5) 0.6452(4)
N26 N 0.3287(4) 0.8948(3) 0.7397(3)
C171 C 0.3473(7) 0.9122(5) 0.7654(5)
O27 O 0.3882(4) 0.9167(3) 0.7649(2)
C172 C 0.3091(6) 0.9262(4) 0.7977(4)
N27 N 0.2694(4) 0.9099(3) 0.8029(3)
C173 C 0.2318(6) 0.9215(4) 0.8319(4)
C174 C 0.2366(6) 0.9475(4) 0.8577(4)
C175 C 0.2797(6) 0.9628(4) 0.8525(4)
C176 C 0.3168(6) 0.9502(4) 0.8236(4)
O28 O 0.2817(4) 0.9892(3) 0.8783(2)
C177 C 0.3254(6) 1.0057(6) 0.8761(4)
C178 C 0.3222(7) 1.0309(6) 0.9091(4)
C179 C 0.3255(9) 0.9922(8) 0.9424(5)
C180 C 0.3717(8) 1.0435(8) 0.9017(6)
C181 C 0.1896(6) 0.9037(5) 0.8383(4)
C182 C 0.1503(5) 0.9173(4) 0.8657(4)
C183 C 0.1546(6) 0.9450(5) 0.8888(4)
C184 C 0.1969(6) 0.9609(4) 0.8872(4)
N28 N 0.1919(4) 0.8716(3) 0.8125(3)
C185 C 0.1596(6) 0.8495(5) 0.8123(4)
O29 O 0.1184(4) 0.8549(3) 0.8304(3)
C186 C 0.1775(6) 0.8145(5) 0.7853(4)
N29 N 0.2251(5) 0.8023(4) 0.7741(3)
C187 C 0.2408(8) 0.7717(5) 0.7484(4)
C188 C 0.2097(7) 0.7586(5) 0.7299(5)
C189 C 0.1573(7) 0.7726(5) 0.7429(4)
C190 C 0.1413(6) 0.8006(4) 0.7709(4)
O30 O 0.1260(5) 0.7584(4) 0.7270(3)
C191 C 0.0727(7) 0.7733(8) 0.7379(6)
C192 C 0.0368(10) 0.7808(10) 0.7094(8)
C193 C -0.0173(10) 0.7962(10) 0.7255(9)
C194 C 0.0533(11) 0.7271(11) 0.7072(9)
C195 C 0.2922(8) 0.7555(5) 0.7356(4)
C196 C 0.3132(8) 0.7283(5) 0.7098(4)
C197 C 0.2831(8) 0.7145(6) 0.6915(5)
C198 C 0.2315(8) 0.7274(5) 0.7026(5)
N30 N 0.3238(5) 0.7692(3) 0.7577(3)
C199 C 0.3768(8) 0.7630(5) 0.7551(5)
O31 O 0.4057(4) 0.7418(4) 0.7295(3)
C200 C 0.3912(7) 0.7835(5) 0.7843(5)
N31 N 0.3574(5) 0.7937(4) 0.8122(4)
C201 C 0.3744(6) 0.8135(5) 0.8356(5)
C202 C 0.4215(7) 0.8232(5) 0.8319(5)
C203 C 0.4530(7) 0.8091(6) 0.8007(5)
C204 C 0.4401(6) 0.7867(5) 0.7748(4)
O32 O 0.4982(5) 0.8210(4) 0.8000(3)
C205 C 0.5318(7) 0.8065(7) 0.7678(5)
C206 C 0.5781(8) 0.8208(9) 0.7720(7)
C207 C 0.6037(9) 0.7904(11) 0.8048(7)
C208 C 0.6142(9) 0.8116(11) 0.7363(6)
C209 C 0.3376(6) 0.8258(5) 0.8690(4)
C210 C 0.3486(6) 0.8493(5) 0.8946(4)
C211 C 0.3972(6) 0.8602(5) 0.8891(4)
C212 C 0.4298(7) 0.8453(5) 0.8598(5)
N32 N 0.2944(5) 0.8115(3) 0.8737(3)
C213 C 0.2556(7) 0.8209(5) 0.8988(5)
O33 O 0.2503(3) 0.8450(3) 0.9234(3)
C214 C 0.2163(6) 0.7964(5) 0.8986(4)
N33 N 0.2279(4) 0.7640(4) 0.8750(3)
C215 C 0.1949(5) 0.7377(5) 0.8761(4)
C216 C 0.1490(6) 0.7482(5) 0.9000(4)
C217 C 0.1369(6) 0.7841(5) 0.9230(4)
C218 C 0.1717(5) 0.8075(4) 0.9231(4)
O34 O 0.0929(4) 0.7911(3) 0.9456(3)
C219 C 0.0803(5) 0.8256(5) 0.9706(3)
C220 C 0.0281(7) 0.8241(7) 0.9903(5)
C221 C 0.0356(8) 0.7754(6) 1.0163(6)
C222 C 0.0177(7) 0.8619(6) 1.0144(6)
C223 C 0.2066(7) 0.7039(5) 0.8544(4)
C224 C 0.1772(6) 0.6733(5) 0.8571(4)
C225 C 0.1312(6) 0.6816(5) 0.8809(4)
C226 C 0.1159(5) 0.7203(5) 0.9014(4)
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N35 N 0.4792(3) 1.2504(3) 0.8536(3)
C228 C 0.5070(5) 1.2401(5) 0.8807(4)
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C229 C 0.5280(4) 1.2790(4) 0.8852(3)
N36 N 0.5250(3) 1.3147(3) 0.8569(2)
C230 C 0.5409(4) 1.3520(4) 0.8620(3)
C231 C 0.5563(4) 1.3541(5) 0.8958(3)
C232 C 0.5619(4) 1.3146(4) 0.9227(3)
C233 C 0.5466(4) 1.2760(4) 0.9191(3)
O38 O 0.5776(3) 1.3184(3) 0.9554(2)
C234 C 0.5800(5) 1.2786(4) 0.9857(3)
C235 C 0.5943(5) 1.2963(4) 1.0176(3)
C236 C 0.5514(5) 1.3377(4) 1.0312(3)
C237 C 0.6120(5) 1.2545(4) 1.0475(3)
C238 C 0.5343(4) 1.3918(5) 0.8323(4)
C239 C 0.5449(5) 1.4328(5) 0.8362(4)
C240 C 0.5638(5) 1.4335(5) 0.8716(4)
C241 C 0.5682(4) 1.3947(5) 0.9005(3)
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C243 C 0.4894(5) 1.4036(5) 0.7405(4)
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C245 C 0.4504(6) 1.3733(6) 0.6893(4)
C246 C 0.4459(6) 1.4218(6) 0.6868(4)
C247 C 0.4655(5) 1.4375(5) 0.7113(4)
O40 O 0.4176(6) 1.4510(5) 0.6600(3)
C248 C 0.4040(11) 1.5018(6) 0.6545(7)
C249 C 0.3573(11) 1.5203(9) 0.6323(9)
C250 C 0.3264(13) 1.4831(17) 0.6502(13)
C251 C 0.3725(16) 1.5125(16) 0.5919(8)
C252 C 0.4841(5) 1.2912(5) 0.7213(4)
C253 C 0.4648(5) 1.2735(6) 0.6982(4)
C254 C 0.4395(6) 1.3047(7) 0.6701(5)
C255 C 0.4328(7) 1.3549(7) 0.6647(5)
N39 N 0.5165(4) 1.2608(4) 0.7496(3)
C256 C 0.5268(6) 1.2131(6) 0.7588(4)
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C257 C 0.5641(5) 1.1924(5) 0.7865(4)
N40 N 0.5862(4) 1.2200(4) 0.7968(3)
C258 C 0.6173(5) 1.2022(5) 0.8238(4)
C259 C 0.6250(5) 1.1549(5) 0.8435(4)
C260 C 0.5993(6) 1.1260(5) 0.8332(4)
C261 C 0.5723(5) 1.1451(5) 0.8038(4)
O42 O 0.6137(4) 1.0794(4) 0.8488(3)
C262 C 0.5982(6) 1.0458(5) 0.8362(5)
C263 C 0.6261(9) 0.9948(6) 0.8524(7)
C264 C 0.6818(8) 0.9880(7) 0.8449(6)
C265 C 0.6044(10) 0.9980(12) 0.8911(8)
C266 C 0.6434(5) 1.2298(5) 0.8332(4)
C267 C 0.6711(5) 1.2131(4) 0.8636(3)
C268 C 0.6735(5) 1.1696(5) 0.8840(4)
C269 C 0.6539(6) 1.1380(5) 0.8739(4)
N41 N 0.6391(4) 1.2728(4) 0.8103(2)
C270 C 0.6584(5) 1.3084(5) 0.8120(4)
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C271 C 0.6493(4) 1.3480(4) 0.7800(3)
N42 N 0.6334(3) 1.3392(3) 0.7505(3)
C272 C 0.6237(4) 1.3766(4) 0.7209(3)
C273 C 0.6270(5) 1.4237(4) 0.7219(4)
C274 C 0.6470(5) 1.4287(4) 0.7536(4)
C275 C 0.6561(4) 1.3911(4) 0.7824(3)
O44 O 0.6495(4) 1.4724(3) 0.7535(3)
C276 C 0.6642(6) 1.4800(4) 0.7860(4)
C277 C 0.6427(8) 1.5306(7) 0.7928(7)
C278 C 0.6641(8) 1.5383(6) 0.8244(5)
C279 C 0.5841(6) 1.5499(5) 0.7942(5)
C280 C 0.6060(5) 1.3670(5) 0.6893(3)
C281 C 0.5912(5) 1.4044(5) 0.6618(4)
C282 C 0.5927(6) 1.4511(5) 0.6632(4)
C283 C 0.6141(5) 1.4607(5) 0.6906(4)
N43 N 0.6086(3) 1.3207(4) 0.6901(2)
C284 C 0.5943(5) 1.3011(5) 0.6651(4)
O45 O 0.5722(4) 1.3233(3) 0.6382(2)
C285 C 0.6056(5) 1.2465(5) 0.6754(3)
N44 N 0.6355(4) 1.2240(4) 0.7022(3)
C286 C 0.6462(5) 1.1765(5) 0.7121(4)
C287 C 0.6221(5) 1.1506(5) 0.6956(4)
C288 C 0.5938(5) 1.1764(5) 0.6659(3)
C289 C 0.5837(5) 1.2250(5) 0.6552(3)
O46 O 0.5753(3) 1.1478(3) 0.6505(2)
C290 C 0.5533(5) 1.1684(4) 0.6156(4)
C291 C 0.5479(5) 1.1303(5) 0.5976(4)
C292 C 0.6020(5) 1.0993(5) 0.5867(4)
C293 C 0.5183(5) 1.1510(6) 0.5651(4)
C294 C 0.6795(5) 1.1538(5) 0.7389(3)
C295 C 0.6878(5) 1.1063(5) 0.7518(3)
C296 C 0.6621(5) 1.0809(5) 0.7364(4)
C297 C 0.6343(5) 1.1024(5) 0.7082(4)
N45 N 0.7037(4) 1.1816(3) 0.7500(3)
C298 C 0.7409(5) 1.1693(5) 0.7734(4)
O47 O 0.7549(3) 1.1305(3) 0.7923(2)
C299 C 0.7601(5) 1.2091(4) 0.7733(3)
N46 N 0.7511(3) 1.2452(3) 0.7454(2)
C300 C 0.7656(5) 1.2842(4) 0.7468(3)
C301 C 0.7891(4) 1.2882(5) 0.7772(3)
C302 C 0.7970(5) 1.2490(5) 0.8066(3)
C303 C 0.7835(4) 1.2101(4) 0.8051(3)
O48 O 0.8197(3) 1.2538(3) 0.8348(2)
C304 C 0.8311(5) 1.2137(4) 0.8641(3)
C305 C 0.8577(5) 1.2272(5) 0.8906(4)
C306 C 0.8631(5) 1.1886(5) 0.9240(4)
C307 C 0.9089(6) 1.2288(7) 0.8705(4)
C308 C 0.7613(5) 1.3238(5) 0.7157(4)
C309 C 0.7704(5) 1.3644(5) 0.7149(4)
C310 C 0.7897(5) 1.3671(5) 0.7464(4)
C311 C 0.7981(4) 1.3315(4) 0.7772(4)
N47 N 0.7418(4) 1.3137(3) 0.6848(3)
C312 C 0.7291(6) 1.3429(6) 0.6529(4)
O49 O 0.7308(4) 1.3837(3) 0.6446(2)
C313 C 0.7105(5) 1.3202(5) 0.6261(4)
N48 N 0.7198(4) 1.2730(4) 0.6331(3)
C314 C 0.7047(5) 1.2517(6) 0.6094(3)
C315 C 0.6809(5) 1.2798(6) 0.5778(4)
C316 C 0.6710(6) 1.3299(6) 0.5722(4)
C317 C 0.6898(5) 1.3502(5) 0.5944(3)
O50 O 0.6481(4) 1.3554(4) 0.5416(3)
C318 C 0.6423(7) 1.4068(5) 0.5339(4)
C319 C 0.6197(9) 1.4265(7) 0.4961(5)
C320 C 0.6066(9) 1.4813(6) 0.4914(5)
C321 C 0.6514(12) 1.4129(10) 0.4599(7)
C322 C 0.7128(5) 1.2030(6) 0.6162(4)
C323 C 0.6964(5) 1.1796(6) 0.5954(4)
C324 C 0.6692(6) 1.2078(6) 0.5657(4)
C325 C 0.6613(5) 1.2590(6) 0.5565(4)
N49 N 0.7419(4) 1.1773(4) 0.6450(3)
C326 C 0.7550(5) 1.1294(6) 0.6597(4)
O51 O 0.7397(4) 1.1003(3) 0.6492(2)
C327 C 0.7939(5) 1.1164(5) 0.6867(4)
N50 N 0.8171(4) 1.1472(4) 0.6879(3)
C328 C 0.8562(5) 1.1309(5) 0.7109(4)
C329 C 0.8687(5) 1.0852(5) 0.7335(4)
C330 C 0.8383(5) 1.0556(5) 0.7328(4)
C331 C 0.8028(5) 1.0694(4) 0.7086(3)
O52 O 0.8495(3) 1.0127(3) 0.7563(2)
C332 C 0.8215(5) 0.9816(4) 0.7565(4)
C333 C 0.8399(6) 0.9372(5) 0.7859(4)
C334 C 0.8947(6) 0.9113(5) 0.7765(5)
C335 C 0.8079(6) 0.9066(6) 0.7838(5)
C336 C 0.8850(6) 1.1626(5) 0.7135(4)
C337 C 0.9232(6) 1.1487(5) 0.7320(4)
C338 C 0.9368(6) 1.1022(5) 0.7557(4)
C339 C 0.9061(5) 1.0734(5) 0.7550(4)
N51 N 0.8750(5) 1.2111(5) 0.6885(4)
O53 O 0.8781(4) 1.2427(4) 0.7038(3)
O54 O 0.8633(5) 1.2150(4) 0.6575(3)
C340 C 0.3647(4) 1.3793(4) 0.7817(3)
N52 N 0.3811(3) 1.3943(3) 0.8110(2)
C341 C 0.3834(5) 1.4394(4) 0.8103(4)
O55 O 0.3714(3) 1.4706(3) 0.7830(2)
C342 C 0.4039(4) 1.4451(4) 0.8421(3)
N53 N 0.4093(3) 1.4119(3) 0.8721(3)
C343 C 0.4261(4) 1.4200(4) 0.9016(3)
C344 C 0.4364(4) 1.4635(4) 0.9023(3)
C345 C 0.4286(4) 1.4983(4) 0.8703(3)
C346 C 0.4119(4) 1.4897(4) 0.8407(3)
O56 O 0.4385(3) 1.5388(3) 0.8718(2)
C347 C 0.4294(5) 1.5768(4) 0.8402(3)
C348 C 0.4384(7) 1.6201(4) 0.8512(4)
C349 C 0.4033(6) 1.6361(5) 0.8837(4)
C350 C 0.4358(7) 1.6591(5) 0.8174(4)
C351 C 0.4333(4) 1.3835(4) 0.9343(3)
C352 C 0.4514(4) 1.3887(4) 0.9647(3)
C353 C 0.4632(4) 1.4298(4) 0.9646(3)
C354 C 0.4551(4) 1.4683(4) 0.9348(3)
N54 N 0.4178(3) 1.3433(3) 0.9318(2)
C355 C 0.4218(5) 1.3025(4) 0.9572(4)
O57 O 0.4429(3) 1.2902(3) 0.9843(2)
C356 C 0.3928(5) 1.2745(4) 0.9449(3)
N55 N 0.3608(4) 1.2956(3) 0.9187(2)
C357 C 0.3354(5) 1.2693(4) 0.9076(3)
C358 C 0.3458(5) 1.2199(4) 0.9208(4)
C359 C 0.3773(5) 1.1988(4) 0.9499(4)
C360 C 0.4019(5) 1.2257(4) 0.9612(3)
O58 O 0.3812(4) 1.1523(3) 0.9641(3)
C361 C 0.4126(6) 1.1296(4) 0.9944(4)
C362 C 0.4117(8) 1.0769(5) 1.0045(5)
C363 C 0.3585(7) 1.0826(6) 1.0249(5)
C364 C 0.4488(6) 1.0522(5) 1.0330(5)
C365 C 0.3045(5) 1.2921(5) 0.8787(4)
C366 C 0.2816(5) 1.2680(5) 0.8634(3)
C367 C 0.2932(6) 1.2172(6) 0.8772(4)
C368 C 0.3203(5) 1.1945(5) 0.9047(4)
N56 N 0.2947(4) 1.3424(3) 0.8706(3)
C369 C 0.2665(5) 1.3751(5) 0.8464(4)
O59 O 0.2454(3) 1.3647(3) 0.8231(3)
C370 C 0.2647(4) 1.4255(4) 0.8484(3)
N57 N 0.2797(3) 1.4330(3) 0.8774(3)
C371 C 0.2817(4) 1.4783(4) 0.8779(4)
C372 C 0.2676(4) 1.5175(5) 0.8495(4)
C373 C 0.2477(5) 1.5077(5) 0.8206(4)
C374 C 0.2470(4) 1.4633(4) 0.8194(3)
O60 O 0.2312(4) 1.5471(3) 0.7939(3)
C375 C 0.2060(7) 1.5431(5) 0.7653(5)
C376 C 0.1739(9) 1.5939(6) 0.7509(7)
C377 C 0.1351(9) 1.6191(8) 0.7790(7)
C378 C 0.2082(10) 1.6197(9) 0.7339(8)
C379 C 0.2989(4) 1.4847(4) 0.9099(4)
C380 C 0.3054(4) 1.5272(4) 0.9120(4)
C381 C 0.2940(5) 1.5632(4) 0.8821(4)
C382 C 0.2758(5) 1.5591(4) 0.8513(4)
N58 N 0.3067(3) 1.4442(3) 0.9402(3)
C383 C 0.3195(5) 1.4396(5) 0.9730(4)
O61 O 0.3322(3) 1.4709(3) 0.9845(2)
C384 C 0.3214(5) 1.3941(4) 0.9972(3)
N59 N 0.2957(4) 1.3681(4) 0.9873(3)
C385 C 0.2988(5) 1.3243(4) 1.0080(4)
C386 C 0.3269(5) 1.3041(5) 1.0385(4)
C387 C 0.3514(5) 1.3339(5) 1.0493(3)
C388 C 0.3474(5) 1.3784(4) 1.0293(3)
O62 O 0.3758(4) 1.3145(3) 1.0805(3)
C389 C 0.3998(5) 1.3430(4) 1.0923(4)
C390 C 0.4252(6) 1.3145(5) 1.1271(4)
C391 C 0.4675(6) 1.2726(5) 1.1185(4)
C392 C 0.4463(7) 1.3485(6) 1.1415(5)
C393 C 0.2705(5) 1.2969(5) 0.9972(4)
C394 C 0.2770(5) 1.2519(5) 1.0143(4)
C395 C 0.3060(6) 1.2325(5) 1.0456(4)
C396 C 0.3308(6) 1.2562(5) 1.0557(4)
N60 N 0.2428(4) 1.3207(4) 0.9674(3)
C397 C 0.2117(6) 1.3037(6) 0.9518(4)
O63 O 0.2113(4) 1.2625(4) 0.9590(3)
C398 C 0.1822(5) 1.3419(5) 0.9230(4)
N61 N 0.1782(4) 1.3875(4) 0.9210(3)
C399 C 0.1528(5) 1.4212(5) 0.8946(4)
C400 C 0.1298(6) 1.4091(6) 0.8682(5)
C401 C 0.1359(6) 1.3588(6) 0.8699(5)
C402 C 0.1610(5) 1.3253(5) 0.8976(4)
O64 O 0.1127(5) 1.3509(4) 0.8430(4)
C403 C 0.1102(8) 1.3044(6) 0.8479(6)
C404 C 0.1435(10) 1.2827(8) 0.8146(7)
C405 C 0.1851(9) 1.2922(8) 0.7840(5)
C406 C 0.1317(9) 1.2391(8) 0.8089(6)
C407 C 0.1476(5) 1.4691(6) 0.8940(4)
C408 C 0.1249(6) 1.5031(6) 0.8656(4)
C409 C 0.1042(6) 1.4868(7) 0.8411(5)
C410 C 0.1065(7) 1.4444(7) 0.8388(5)
N62 N 0.1656(3) 1.4803(4) 0.9237(3)
C411 C 0.1687(5) 1.5229(6) 0.9306(5)
O65 O 0.1554(4) 1.5591(3) 0.9077(3)
C412 C 0.1872(5) 1.5227(5) 0.9649(5)
N63 N 0.1914(4) 1.4836(4) 0.9905(4)
C413 C 0.2095(5) 1.4811(6) 1.0241(5)
C414 C 0.2239(5) 1.5200(6) 1.0308(5)
C415 C 0.2181(6) 1.5608(6) 1.0024(5)
C416 C 0.1998(5) 1.5620(5) 0.9689(4)
O66 O 0.2323(4) 1.5975(4) 1.0090(3)
C417 C 0.2351(6) 1.6347(5) 0.9779(4)
C418 C 0.2467(7) 1.6731(6) 0.9944(5)
C419 C 0.2727(7) 1.6984(6) 0.9658(5)
C420 C 0.1991(5) 1.7053(5) 1.0127(4)
C421 C 0.2107(6) 1.4447(6) 1.0510(5)
C422 C 0.2337(6) 1.4405(7) 1.0834(5)
C423 C 0.2490(6) 1.4734(8) 1.0883(6)
C424 C 0.2419(6) 1.5137(7) 1.0658(5)
N64 N 0.1918(4) 1.4082(5) 1.0435(3)
C425 C 0.1853(7) 1.3682(7) 1.0660(5)
O67 O 0.2057(5) 1.3477(4) 1.0935(3)
C426 C 0.1567(6) 1.3447(6) 1.0493(4)
N65 N 0.1289(4) 1.3708(4) 1.0234(3)
C427 C 0.1031(5) 1.3506(5) 1.0049(4)
C428 C 0.1064(6) 1.3021(5) 1.0148(5)
C429 C 0.1368(6) 1.2736(5) 1.0420(4)
C430 C 0.1637(6) 1.2934(6) 1.0592(4)
O68 O 0.1431(4) 1.2255(4) 1.0492(3)
C431 C 0.1751(6) 1.1975(5) 1.0777(5)
C432 C 0.1731(7) 1.1459(6) 1.0784(6)
C433 C 0.2123(6) 1.1121(6) 1.1051(5)
C434 C 0.1207(6) 1.1437(6) 1.0990(8)
C435 C 0.0712(6) 1.3798(6) 0.9788(4)
C436 C 0.0478(5) 1.3594(5) 0.9609(4)
C437 C 0.0525(6) 1.3108(5) 0.9690(5)
C438 C 0.0801(5) 1.2810(6) 0.9947(5)
N66 N 0.0649(4) 1.4277(4) 0.9760(3)
C439 C 0.0442(7) 1.4641(7) 0.9537(6)
O69 O 0.0211(4) 1.4598(3) 0.9283(3)
C440 C 0.0422(5) 1.5120(6) 0.9588(5)
N67 N 0.0612(4) 1.5117(5) 0.9908(5)
C441 C 0.0661(7) 1.5534(6) 0.9962(6)
C442 C 0.0494(7) 1.5936(7) 0.9685(6)
C443 C 0.0264(7) 1.5958(6) 0.9365(5)
C444 C 0.0220(6) 1.5521(5) 0.9326(4)
O70 O 0.0163(5) 1.6377(4) 0.9143(4)
C445 C -0.0065(9) 1.6386(6) 0.8827(6)
C446 C -0.0114(9) 1.6896(6) 0.8613(6)
C447 C -0.0224(12) 1.6870(9) 0.8233(6)
C448 C -0.0602(10) 1.7185(7) 0.8812(6)
C449 C 0.0838(7) 1.5542(8) 1.0288(7)
C450 C 0.0912(7) 1.5986(7) 1.0354(6)
C451 C 0.0773(9) 1.6402(9) 1.0051(8)
C452 C 0.0559(8) 1.6404(7) 0.9774(6)
N68 N 0.0939(6) 1.5191(8) 1.0600(6)
O71 O 0.0874(5) 1.4790(5) 1.0552(3)
O72 O 0.1087(6) 1.5242(6) 1.0893(5)
N69 N 0.2166(4) 1.1234(3) 0.6713(3)
C453 C 0.2587(5) 1.1330(4) 0.6559(3)
C454 C 0.2799(5) 1.1613(4) 0.6706(3)
C455 C 0.2531(6) 1.1797(4) 0.7019(4)
C456 C 0.2108(5) 1.1697(4) 0.7207(3)
C457 C 0.1931(5) 1.1395(4) 0.7020(3)
O73 O 0.2682(3) 1.2099(3) 0.7191(2)
C458 C 0.3055(6) 1.2293(5) 0.6978(4)
C459 C 0.3149(6) 1.2655(5) 0.7194(4)
O74 O 0.3422(3) 1.2356(3) 0.7522(3)
C460 C 0.3609(5) 1.2580(5) 0.7724(4)
C461 C 0.3516(5) 1.3091(4) 0.7659(3)
C462 C 0.3752(4) 1.3263(4) 0.7863(3)
N70 N 0.4055(3) 1.3001(3) 0.8120(2)
C463 C 0.4151(4) 1.2522(4) 0.8171(3)
C464 C 0.3937(5) 1.2303(4) 0.7969(3)
O75 O 0.5064(6) 1.3039(6) 0.5673(4)
C465 C 0.5264(6) 1.2878(5) 0.5318(5)
O76 O 0.4465(6) 0.9436(6) 0.5124(5)
C466 C 0.4393(11) 0.9064(10) 0.5410(7)
O77 O 0.3872(5) 1.5550(4) 0.7481(4)
C467 C 0.3421(7) 1.5924(6) 0.7510(6)
O78 O 0.5127(5) 1.1103(4) 0.9131(4)
C468 C 0.4749(9) 1.0938(7) 0.9011(5)
O79 O 0.2638(8) 1.1305(7) 0.8380(5)
C469 C 0.3084(11) 1.1278(10) 0.8134(6)
O80 O 0.3679(8) 1.2705(10) 0.5853(7)
C470 C 0.3937(10) 1.2376(7) 0.6158(6)
O81 O 0.1725(8) 1.1122(6) 0.8442(6)
C471 C 0.1459(12) 1.0948(8) 0.8791(6)
O82 O 0.2760(8) 1.1793(6) 1.1446(4)
C472 C 0.2469(11) 1.2292(7) 1.1545(5)
O83 O 0.0195(3) 1.1526(3) 0.7812(2)
C473 C 0.0539(6) 1.1724(5) 0.7940(4)
O84 O 0.3484(3) 1.0136(3) 0.4657(2)
O85 O 0.2494(4) 1.1255(4) 0.9811(4)
O86 O 0.2846(4) 1.3550(4) 1.1668(3)
O87 O 0.5122(3) 0.9339(3) 0.7266(2)
O88 O 0.0548(4) 1.4108(3) 0.7364(3)
O89 O 0.3115(5) 0.8774(4) 0.5155(3)
O90 O 0.1395(4) 1.1035(3) 0.3970(2)
O91 O 0.8006(4) 1.3819(3) 0.5630(3)
O92 O 0.8162(4) 1.4539(5) 0.8105(3)
O93 O 0.4685(4) 0.9712(3) 0.8346(3)
O94 O 0.8573(4) 1.3584(5) 0.8894(5)
O95 O 0.1176(5) 1.1930(4) 0.9319(3)
O96 O -0.0172(4) 1.3577(5) 0.8802(3)
O97 O 0.3241(4) 1.0617(5) 0.3671(3)
O98 O 0.0610(5) 0.9399(5) 0.5059(4)
O99 O 0.6439(7) 0.9521(6) 0.7460(3)
O100 O 0.0463(5) 1.5108(4) 0.3097(3)
O101 O 0.3906(6) 1.0816(4) 0.5589(4)
C474 C 0.4225(8) 1.0743(8) 0.5254(6)
O102 O 0.4706(8) 1.2063(5) 1.0397(5)
C475 C 0.5173(9) 1.1750(9) 1.0237(7)
O103 O -0.0093(13) 0.8733(6) 0.5569(6)
O104 O 0.7819(7) 1.5238(6) 0.7345(4)
Cl1 Cl 0.3146(2) 0.86284(17) 1.00093(15)
C476 C 0.2501(6) 0.8569(6) 1.0061(4)
C477 C 0.2187(6) 0.9055(6) 0.9878(5)
Cl2 Cl 0.1543(2) 0.89983(18) 0.99530(14)
Cl3 Cl 0.4490(3) 1.09383(19) 0.78170(18)
C478 C 0.4437(8) 1.1298(6) 0.7349(4)
C479 C 0.4800(9) 1.1210(5) 0.7028(7)
Cl4 Cl 0.5105(2) 1.0571(2) 0.70001(18)
Cl5 Cl 0.71398(15) 1.26096(13) 0.93591(10)
C480 C 0.6902(5) 1.3231(4) 0.9163(3)
C481 C 0.7321(6) 1.3395(4) 0.8961(4)
Cl6 Cl 0.70782(16) 1.40221(14) 0.87985(11)
Cl7 Cl 0.80922(17) 1.08936(16) 0.90536(12)
C482 C 0.7906(6) 1.0688(6) 0.8699(4)
C483 C 0.8292(6) 1.0486(5) 0.8414(4)
Cl8 Cl 0.8740(2) 0.99548(17) 0.86080(14)
O105 O 0.4455(5) 1.3865(5) 0.5597(3)
O106 O 0.0701(6) 1.5269(5) 0.7423(3)
Cl9 Cl 0.3901(4) 1.5764(2) 1.00404(18)
C484 C 0.3703(8) 1.5299(6) 1.0254(5)
C485 C 0.3813(7) 1.5002(7) 1.0577(6)
Cl10 Cl 0.4391(2) 1.46035(19) 1.06952(14)
Cl11 Cl 0.0067(3) 0.8189(3) 0.8253(2)
C486 C 0.0174(10) 0.8413(11) 0.8649(6)
C487 C 0.0035(12) 0.8937(11) 0.8574(7)
Cl12 Cl 0.0107(3) 0.9167(2) 0.89645(19)
O107 O 0.1409(7) 1.0361(4) 0.9718(4)
O108 O 0.2382(6) 1.3886(6) 0.7464(4)
C488 C 0.1884(8) 1.4176(10) 0.7366(6)
O109 O 0.7398(6) 1.0000(6) 0.6816(4)
C489 C 0.7828(7) 0.9681(6) 0.6623(5)
O110 O -0.0395(6) 1.5595(5) 0.8438(4)
O111 O 0.2957(7) 1.2257(8) 0.3448(6)
O112 O -0.1894(6) 1.3096(7) 0.4713(5)
O113 O 0.1878(8) 1.1721(7) 0.9532(6)
O114 O 0.6022(6) 1.0650(8) 0.9524(5)
O115 O 0.4274(10) 1.1480(7) 1.0979(6)
O116 O 0.7175(8) 1.0125(5) 0.9346(7)
O117 O 0.6743(7) 1.5141(9) 0.5704(5)
O118 O 0.5049(6) 1.4509(8) 0.5783(4)
H1 H 0.29800 1.13550 0.60480
H2 H 0.30910 1.08340 0.62740
H3 H 0.21500 1.11230 0.61370
H4 H 0.24480 1.03760 0.52310
H5 H 0.23810 0.96900 0.49770
H6 H 0.24000 1.01590 0.46970
H7 H 0.18680 0.99760 0.43150
H8 H 0.27470 0.98020 0.41930
H9 H 0.26150 0.93540 0.41300
H10 H 0.28250 0.93460 0.45000
H11 H 0.15510 0.94890 0.48110
H12 H 0.20980 0.91540 0.48750
H13 H 0.18590 0.91580 0.45180
H14 H -0.00110 1.12790 0.59120
H15 H 0.00840 1.07220 0.55110
H16 H 0.07830 1.03920 0.51810
H17 H 0.10450 1.15260 0.61150
H18 H -0.00940 1.22330 0.68840
H19 H -0.03030 1.24270 0.75120
H20 H -0.05590 1.28170 0.71900
H21 H -0.09240 1.30330 0.78050
H22 H -0.09620 1.36680 0.72920
H23 H -0.04170 1.36630 0.73380
H24 H -0.08620 1.38320 0.76430
H25 H -0.01450 1.26950 0.80680
H26 H -0.03670 1.32330 0.81240
H27 H 0.00690 1.30850 0.78070
H28 H 0.20870 1.28820 0.64130
H29 H 0.16100 1.31920 0.69490
H30 H 0.08470 1.30900 0.72090
H31 H 0.16640 1.22130 0.59600
H32 H 0.31540 1.21340 0.54360
H33 H 0.40480 1.16970 0.51170
H34 H 0.37330 1.22320 0.50110
H35 H 0.41780 1.21760 0.43540
H36 H 0.44050 1.13320 0.44970
H37 H 0.46690 1.13360 0.48390
H38 H 0.49090 1.14670 0.44320
H39 H 0.44370 1.25730 0.47560
H40 H 0.49360 1.22080 0.46110
H41 H 0.46690 1.20860 0.50090
H42 H 0.16400 1.15010 0.45090
H43 H 0.24900 1.12760 0.42490
H44 H 0.31150 1.14840 0.44740
H45 H 0.12750 1.21000 0.52800
H46 H -0.00760 1.19600 0.50980
H47 H -0.06760 1.16810 0.53580
H48 H -0.09450 1.21330 0.50810
H49 H -0.13780 1.16060 0.53080
H50 H -0.17430 1.14690 0.58770
H51 H -0.14620 1.17710 0.60110
H52 H -0.11530 1.13070 0.58430
H53 H -0.17800 1.22780 0.50300
H54 H -0.19890 1.24660 0.54100
H55 H -0.21290 1.20350 0.53230
H56 H -0.01350 1.35030 0.62530
H57 H -0.08820 1.32640 0.64060
H58 H -0.10300 1.28040 0.60370
H59 H 0.08050 1.30140 0.55860
H60 H 0.14560 1.38910 0.60170
H61 H 0.20480 1.39030 0.63100
H62 H 0.19680 1.44040 0.60600
H63 H 0.24890 1.43860 0.65150
H64 H 0.26980 1.35400 0.66540
H65 H 0.32140 1.36490 0.65310
H66 H 0.29640 1.34900 0.62490
H67 H 0.27270 1.47290 0.59100
H68 H 0.29600 1.42250 0.57850
H69 H 0.32340 1.43830 0.60520
#END
