
###########################################################################
#
#                 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_SOBXAJ
_audit_creation_date 2008-10-28
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD SOBXAJ
_database_code_depnum_ccdc_archive 'CCDC 677158'
_chemical_formula_sum 'C209 H228.5 Cl18.5 F5 N36 O45'
_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 18.8716(6)
_cell_length_b 25.0352(2)
_cell_length_c 27.0598(8)
_cell_angle_alpha 80.890(7)
_cell_angle_beta 84.806(8)
_cell_angle_gamma 70.220(6)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.79
H 0.23
Cl 0.77
F 0.64
N 0.68
O 0.67
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
F1 F 0.8443(3) 0.3053(2) 0.3749(2)
F2 F 1.0261(4) 0.2357(2) 0.1609(2)
F3 F 0.8106(3) 0.2647(3) 0.2227(2)
F4 F 1.1755(4) 0.0963(3) 0.2638(2)
C1 C 1.0489(7) 0.2028(5) 0.0825(4)
N1 N 1.0797(5) 0.0120(4) 0.2773(3)
O1 O 0.9331(4) 0.1115(3) 0.0592(3)
F5 F 1.0760(4) 0.1633(3) 0.4086(2)
N2 N 1.0169(5) 0.0605(3) 0.2060(3)
N3 N 0.8395(5) 0.2167(4) 0.1401(3)
N4 N 0.7054(5) 0.3618(4) 0.2357(3)
N5 N 1.1014(5) 0.1557(4) 0.1057(3)
O2 O 0.8262(5) 0.0222(3) 0.4381(3)
N6 N 0.7410(6) 0.1235(4) 0.1913(2)
N7 N 0.7237(7) 0.3724(5) 0.3282(4)
O3 O 0.4846(4) 0.3460(4) 0.1820(3)
O4 O 0.6095(4) 0.2829(3) 0.3493(3)
N8 N 1.1986(5) 0.0819(3) 0.1657(3)
C2 C 0.8979(7) -0.0150(5) 0.1822(4)
N9 N 0.9453(5) 0.1178(4) 0.1413(3)
C3 C 1.0080(6) 0.2455(5) 0.1135(4)
O5 O 0.7065(5) 0.2998(3) 0.0165(3)
O6 O 1.1768(6) -0.0731(4) 0.2924(3)
N10 N 0.8329(5) 0.0346(4) 0.2538(3)
N11 N 0.8240(7) 0.1669(5) 0.3739(3)
O7 O 0.9995(4) -0.1023(3) 0.1969(3)
O8 O 0.7924(4) 0.0750(3) 0.1264(3)
C4 C 0.6432(7) 0.2152(5) 0.1967(4)
C5 C 0.8857(7) -0.0096(5) 0.2831(4)
N12 N 1.0582(6) 0.0233(5) 0.3751(3)
C6 C 0.6840(7) 0.1705(4) 0.1667(3)
C7 C 0.7154(7) 0.3425(5) 0.1877(5)
C8 C 0.7834(6) 0.2658(5) 0.1400(4)
N13 N 0.9148(6) 0.3357(4) 0.1308(3)
C9 C 0.7885(8) 0.0461(5) 0.4009(5)
C10 C 0.9287(7) 0.3074(4) 0.0465(4)
Cl1 Cl 0.7655(4) 0.4893(3) 0.5613(2)
C11 C 0.8411(7) 0.0304(5) 0.2047(4)
N14 N 0.8112(6) 0.0330(4) 0.3534(3)
O9 O 1.2900(5) 0.1672(4) 0.1286(3)
O10 O 0.9881(5) 0.0919(3) 0.4832(3)
O11 O 1.1618(5) 0.1142(3) 0.0362(3)
N15 N 1.0107(7) 0.2262(5) 0.4830(4)
C12 C 0.7942(6) 0.3451(4) 0.3973(4)
C13 C 1.0726(7) 0.0156(5) 0.2245(4)
C14 C 0.658(1) 0.4142(7) 0.3077(4)
N16 N 0.7200(6) 0.2147(4) 0.3315(4)
O12 O 0.8626(5) 0.3666(3) -0.0203(4)
C15 C 0.9512(7) 0.2963(6) 0.0965(4)
C16 C 0.8773(6) -0.0078(5) 0.3360(4)
O13 O 1.3235(7) 0.0362(5) 0.5500(3)
C17 C 1.1554(7) 0.1169(5) 0.0820(5)
N17 N 1.2061(5) 0.2299(4) 0.2662(4)
C18 C 0.5832(7) 0.2616(5) 0.1747(4)
N18 N 0.9359(7) 0.1099(5) 0.4061(4)
N19 N 1.2130(5) 0.2272(4) 0.1820(4)
N20 N 1.1509(6) 0.3020(5) 0.1078(3)
N21 N 0.6683(5) 0.2109(4) 0.2434(3)
C19 C 0.8717(9) 0.1503(6) 0.4122(5)
C20 C 0.9460(8) -0.0554(5) 0.2114(5)
C21 C 0.9287(7) -0.0486(4) 0.3676(4)
O14 O 1.3813(6) -0.0536(4) 0.1227(3)
C22 C 1.2094(7) 0.0743(5) 0.1185(5)
O15 O 1.4636(5) 0.1706(5) 0.0952(3)
C23 C 1.1189(7) -0.0231(6) 0.3602(5)
C24 C 0.7650(7) 0.2955(5) 0.1827(4)
C25 C 0.7299(4) 0.3816(4) 0.3765(4)
C26 C 1.2445(8) 0.0453(5) 0.1984(5)
C27 C 0.9723(6) 0.2640(4) 0.0149(4)
C28 C 0.6287(7) 0.2505(6) 0.2691(4)
O16 O 0.5818(5) 0.1750(3) 0.4907(3)
C29 C 1.0038(7) 0.0701(5) 0.1584(4)
C30 C 1.1296(8) -0.0348(6) 0.3069(4)
C31 C 1.2700(9) 0.0287(6) 0.1019(5)
O17 O 0.5923(6) 0.4389(4) 0.2299(3)
C32 C 0.7123(8) 0.0846(4) 0.4029(4)
C33 C 0.6847(7) 0.1088(4) 0.4480(4)
C34 C 0.8549(7) 0.1921(4) 0.0974(5)
N22 N 1.2678(7) 0.3404(5) 0.2208(3)
N23 N 1.3172(6) 0.3263(4) 0.1281(5)
O18 O 0.9687(5) 0.4877(4) 0.1381(4)
Cl2 Cl 0.5105(4) 0.3824(3) 0.4360(2)
C35 C 0.6549(10) 0.2498(5) 0.3199(4)
C36 C 1.2409(8) 0.2081(6) 0.1363(7)
O19 O 1.3735(5) 0.2743(4) 0.2517(3)
C37 C 0.6650(7) 0.1726(5) 0.1177(4)
C38 C 1.4219(7) 0.2198(6) 0.1098(6)
C39 C 1.1204(6) -0.0269(5) 0.1973(4)
N24 N 1.2668(5) 0.0299(4) 0.3346(4)
C40 C 0.9425(9) -0.0546(6) 0.2636(5)
O20 O 1.1711(5) 0.2623(5) -0.0399(3)
O21 O 1.1238(6) 0.1858(4) 0.6177(3)
C41 C 1.0250(7) 0.2142(5) 0.0330(5)
C42 C 0.7383(7) 0.2963(5) 0.0984(4)
C43 C 0.6057(7) 0.2206(6) 0.0976(4)
C44 C 0.7878(7) 0.0807(6) 0.1706(4)
N25 N 0.8967(7) 0.4023(5) 0.2725(4)
C45 C 1.3227(8) -0.0079(5) 0.1374(5)
C46 C 0.8777(7) 0.3580(5) 0.0260(5)
C47 C 1.3858(8) 0.2592(7) 0.0669(6)
O22 O 0.9121(6) 0.4377(4) 0.4181(3)
C48 C 1.1846(8) 0.1240(6) 0.5407(5)
N26 N 0.8797(7) 0.3075(4) 0.4657(4)
C49 C 0.5435(8) 0.3044(6) 0.2028(5)
Cl3 Cl 0.4271(4) 0.4114(3) 0.3496(2)
C50 C 1.1059(9) 0.3428(9) 0.0695(6)
C51 C 1.3090(7) 0.0000(6) 0.1843(4)
C52 C 0.6020(8) 0.1345(6) 0.3680(5)
N27 N 0.9496(8) 0.3926(5) 0.3518(5)
C53 C 0.9949(9) 0.0776(7) 0.4380(5)
C54 C 1.2921(10) 0.1679(7) 0.3282(7)
N28 N 1.1241(7) 0.4084(5) 0.2123(5)
C55 C 0.7537(8) 0.2674(5) 0.0535(5)
C56 C 1.0496(8) 0.0292(5) 0.4222(5)
C57 C 1.0487(6) 0.0317(5) 0.1251(4)
C58 C 1.1199(10) 0.4357(7) 0.2958(6)
N29 N 1.2110(8) 0.0770(6) 0.4169(4)
C59 C 0.8492(9) 0.1765(6) 0.4562(5)
C60 C 1.1653(7) -0.0615(5) 0.3953(5)
C61 C 1.2330(8) 0.0537(6) 0.2496(5)
N30 N 0.6687(6) 0.0992(4) 0.3630(3)
C62 C 0.8154(8) 0.3463(5) 0.4450(5)
N31 N 0.8619(6) 0.4039(5) 0.1948(5)
C63 C 0.5458(9) 0.1522(6) 0.3277(5)
C64 C 1.1141(9) 0.3262(6) 0.0200(5)
O23 O 0.9640(7) 0.1231(4) 0.2912(3)
C65 C 0.5635(8) 0.1646(6) 0.4119(5)
O24 O 1.3642(6) -0.0384(4) 0.3789(3)
C66 C 1.3553(9) -0.0364(5) 0.2202(5)
O25 O 0.7773(6) 0.4661(4) 0.1381(4)
C67 C 0.9093(7) 0.1378(5) 0.0965(4)
C68 C 1.4079(7) 0.2338(6) 0.1573(5)
C69 C 1.299(1) 0.3542(8) 0.0403(6)
C70 C 1.1048(8) -0.0172(5) 0.1464(4)
C71 C 0.8438(7) 0.3977(5) 0.0639(5)
N32 N 0.5772(9) 0.1174(6) 0.2813(5)
C72 C 1.1015(9) -0.0069(7) 0.4588(5)
C73 C 0.9875(7) -0.0918(5) 0.3481(4)
C74 C 0.6683(7) 0.3708(5) 0.1477(5)
Cl4 Cl 0.2860(5) 0.8546(4) 0.1691(4)
C75 C 1.2261(12) 0.2153(9) 0.3106(5)
C76 C 0.9957(7) -0.0953(4) 0.2989(5)
C77 C 0.7548(8) 0.2070(5) 0.3748(5)
C78 C 0.8092(7) 0.2189(5) 0.0537(4)
C79 C 0.5637(8) 0.2980(5) 0.2507(5)
C80 C 1.0255(12) 0.4481(7) 0.1555(7)
C81 C 0.7012(11) 0.4236(7) 0.4527(6)
C82 C 0.5719(6) 0.2602(5) 0.1248(4)
C83 C 1.2235(12) 0.0907(6) 0.5029(4)
C84 C 1.2819(10) 0.0157(6) 0.2853(5)
C85 C 1.1196(10) 0.1695(6) 0.5373(5)
C86 C 1.0736(8) 0.1831(5) 0.4915(4)
C87 C 1.1927(7) 0.2545(6) 0.0940(4)
C88 C 1.2305(8) 0.3654(5) 0.2622(5)
C89 C 1.2440(9) 0.2013(6) 0.2309(5)
C90 C 1.3350(9) 0.2983(7) 0.2174(6)
C91 C 0.643(1) 0.4080(7) 0.2515(5)
N33 N 1.1808(8) 0.2472(5) 0.3457(4)
N34 N 1.0629(6) 0.4037(5) 0.1299(4)
C92 C 1.1359(10) 0.2948(8) 0.4208(5)
C93 C 1.3384(7) 0.3089(8) 0.0813(6)
C94 C 1.2731(10) 0.0357(7) 0.4203(4)
C95 C 0.7313(8) 0.2345(5) 0.4186(4)
C96 C 1.0559(9) 0.3941(6) 0.0836(6)
C97 C 1.0042(8) -0.1101(6) 0.1442(4)
C98 C 0.8685(8) 0.3812(5) 0.1116(4)
C99 C 0.6843(6) 0.4168(5) 0.4014(6)
C100 C 1.3522(8) 0.2873(6) 0.1628(5)
C101 C 0.9815(11) 0.2577(8) 0.5200(5)
C102 C 0.6203(8) 0.4596(6) 0.3791(5)
C103 C 0.7812(11) 0.2183(7) 0.4552(4)
C104 C 0.6279(7) 0.1606(5) 0.5356(5)
O26 O 0.5692(6) 0.4996(4) 0.4056(3)
C105 C 1.1585(10) 0.4044(6) 0.2555(6)
C106 C 0.6836(7) 0.3475(5) 0.1049(4)
C107 C 1.1651(8) 0.2747(5) 0.0078(6)
C108 C 1.3467(7) -0.0270(5) 0.2685(6)
C109 C 0.7149(9) 0.2724(5) -0.0274(4)
N35 N 1.0774(11) 0.3259(7) 0.3968(4)
C110 C 1.0789(13) 0.2053(8) 0.5752(6)
C111 C 0.6040(7) 0.4559(6) 0.3311(5)
C112 C 0.4764(10) 0.1866(7) 0.3293(6)
O27 O 0.8852(8) 0.3393(5) 0.5413(4)
C113 C 1.0267(11) 0.3636(8) 0.4277(15)
C114 C 1.2062(7) 0.2379(6) 0.0466(5)
O28 O 1.2571(7) 0.2212(5) 0.4114(4)
C115 C 1.2945(9) 0.0452(4) 0.5078(6)
C116 C 1.0108(10) 0.4318(6) 0.0483(6)
C117 C 0.4401(9) 0.3905(6) 0.2110(5)
C118 C 1.3135(7) 0.0195(5) 0.4647(5)
C119 C 1.1163(12) 0.1510(7) 0.4506(5)
C120 C 1.2617(10) 0.3580(6) 0.3049(5)
C121 C 1.1832(10) 0.1057(6) 0.4573(8)
C122 C 0.6177(9) 0.1467(6) 0.4533(5)
C123 C 1.3253(7) 0.1384(7) 0.2849(8)
C124 C 1.3057(9) 0.1540(6) 0.2373(5)
O29 O 1.0136(8) 0.5075(5) 0.3212(4)
C125 C 1.0610(9) 0.3691(7) -0.0152(4)
C126 C 1.2250(11) 0.3906(8) 0.3446(6)
C127 C 0.9592(12) 0.1785(10) 0.2777(6)
C128 C 1.3603(10) 0.2936(9) -0.0209(6)
C129 C 0.8305(9) 0.4221(6) 0.1505(6)
C130 C 0.8284(12) 0.4651(8) 0.3289(6)
C131 C 1.0643(9) -0.1600(7) 0.1305(6)
C132 C 1.0127(9) 0.4840(6) 0.2375(7)
C133 C 0.7595(10) 0.3853(7) 0.4722(4)
C134 C 1.0146(12) 0.2477(8) 0.5655(6)
C135 C 1.3135(10) 0.3449(8) -0.0093(6)
C136 C 0.7782(8) 0.4796(6) 0.2451(6)
C137 C 0.9121(11) 0.3072(7) 0.5108(7)
C138 C 0.8902(10) 0.4211(6) 0.3185(7)
C139 C 1.3072(9) 0.0025(7) 0.3775(6)
C140 C 0.3823(7) 0.4358(6) 0.1758(5)
C141 C 1.0109(11) 0.4212(7) 0.0001(8)
C142 C 0.8120(9) 0.4213(6) -0.0402(6)
C143 C 1.1985(14) 0.2041(9) -0.1021(6)
C144 C 1.0386(18) 0.3749(12) 0.4748(6)
C145 C 1.0881(9) 0.2159(5) 0.6577(5)
O30 O 1.2759(7) 0.4382(5) 0.0726(5)
C146 C 0.4924(10) 0.2009(6) 0.4116(6)
C147 C 0.7765(10) 0.4939(6) 0.2940(7)
C148 C 1.4037(9) 0.0034(6) 0.5542(6)
C149 C 1.1510(12) 0.4303(8) 0.3410(6)
Cl5 Cl 0.7623(5) 0.5527(4) 0.4670(3)
O31 O 1.0377(8) 0.2929(6) 0.2880(4)
C150 C 0.4492(8) 0.2135(7) 0.3714(7)
C151 C 0.8447(9) 0.4315(7) 0.2379(6)
C152 C 1.0570(15) 0.4717(9) 0.2871(7)
O32 O 1.1943(8) 0.4316(4) 0.0303(5)
C153 C 1.3963(8) 0.2510(7) 0.0170(6)
C154 C 0.6501(9) 0.3085(7) -0.0611(4)
Cl6 Cl 0.9098(9) 0.6343(7) 0.1673(6)
C155 C 0.5027(9) 0.5379(9) 0.3832(6)
C156 C 1.1573(8) -0.0529(8) 0.4438(6)
C157 C 1.0611(11) 0.4447(6) 0.2026(6)
C158 C 1.3882(8) -0.0626(6) 0.0699(6)
N36 N 1.2545(8) 0.4122(6) 0.0487(5)
C159 C 0.9653(12) 0.3985(8) 0.4000(4)
C160 C 1.2178(12) 0.2123(8) -0.0509(5)
C161 C 1.1049(12) 0.3389(9) 0.4932(6)
O33 O 0.5352(7) 0.1372(8) 0.2457(6)
C162 C 0.4234(8) 0.4625(6) 0.1336(5)
C163 C 0.5761(12) 0.1957(10) 0.5743(6)
O34 O 0.6251(9) 0.0787(7) 0.2794(4)
C164 C 0.8216(8) 0.4973(7) 0.5079(6)
C165 C 1.1999(12) 0.2500(8) 0.3920(8)
Cl7? Cl 0.2253(9) 0.7958(6) 0.2338(5)
C166 C 0.9937(9) 0.2623(10) 0.2769(6)
Cl8 Cl 0.6384(9) 0.5169(6) 0.0520(5)
C167 C 1.5021(8) 0.1243(6) 0.1373(5)
C168 C 1.1259(14) 0.1987(10) -0.1027(6)
C169 C 1.0639(11) -0.2136(8) 0.1673(6)
Cl9? Cl 0.3910(9) 0.8003(6) 0.2364(5)
C170 C 0.3317(8) 0.4828(6) 0.2107(5)
C171 C 0.5729(12) 0.3067(9) -0.0356(7)
C172 C 0.8276(15) 0.4224(7) -0.0967(7)
C173 C 0.9534(11) 0.5556(8) 0.3119(7)
C174 C 1.0620(9) -0.1704(7) 0.0788(6)
C175 C 1.0005(14) 0.2067(8) 0.2886(6)
C176 C 0.6638(10) 0.2821(7) -0.1095(5)
C177 C 1.5396(10) 0.0706(10) 0.1144(8)
C178 C 0.6252(11) 0.1860(7) 0.6187(6)
Cl10 Cl 0.8978(4) 0.5155(3) 0.5222(3)
Cl11 Cl 0.7942(9) 0.6287(7) 0.2214(6)
C179 C 1.1572(11) 0.2979(7) 0.4677(4)
C180 C 0.4487(11) 0.5693(10) 0.4258(7)
C181 C 1.4225(14) 0.0039(10) 0.6042(7)
C182 C 0.4638(9) 0.3555(7) 0.3962(5)
C183 C 0.7988(10) 0.3849(8) -0.1139(6)
Cl12 Cl 0.3893(4) 0.3424(3) 0.4369(3)
C184 C 1.491(2) 0.0495(9) 0.0914(12)
C185 C 0.9830(13) 0.6074(8) 0.3732(6)
O35 O 0.3672(12) 0.1709(9) 0.5096(6)
C186 C 1.5064(12) -0.0334(9) 0.6096(7)
C187 C 0.8911(17) 0.4287(11) -0.1239(8)
Cl13 Cl 0.4345(10) 0.5840(7) 0.2426(6)
C188 C 1.2617(11) 0.1537(11) -0.1166(6)
Cl14 Cl 0.7895(3) 0.0956(2) 0.9731(2)
Cl15 Cl 0.9073(4) -0.0081(3) 1.0092(2)
Cl16 Cl 0.7537(4) 0.0085(3) 1.0412(2)
C189 C 0.8212(8) 0.0432(6) 1.0245(6)
C190 C 0.9182(17) 0.5804(7) 0.3608(9)
O36 O 0.2752(12) 0.2166(8) 0.5731(6)
C191 C 1.525(1) -0.1112(9) 0.0704(8)
Cl17 Cl 0.5525(11) 0.4705(9) -0.0003(8)
C192 C 1.5941(15) 0.0264(9) 0.157(1)
C193 C 1.461(2) -0.1832(14) 0.0955(18)
C194 C 1.4493(12) -0.1223(9) 0.0708(11)
C195 C 0.5673(14) 0.2548(11) 0.5535(8)
C196 C 0.8521(13) 0.6234(9) 0.3572(9)
C197 C 0.3832(12) 0.6146(11) 0.3968(8)
C198 C 1.1088(13) 0.2308(14) 0.7459(6)
C199 C 0.2932(12) 0.8313(11) 0.2327(8)
O37 O 0.3457(19) 0.269(2) 0.5155(13)
C200 C 1.1782(15) 0.1421(10) 0.7141(9)
C201 C 1.4353(16) 0.0593(11) 0.6042(10)
C202 C 0.8523(14) 0.5936(11) 0.1768(9)
C203 C 0.5489(17) 0.5327(14) 0.0266(13)
C204 C 1.1581(11) 0.2043(8) 0.6994(6)
Cl18 Cl 0.540(2) 0.5951(19) -0.0168(16)
O38 O 0.5746(18) 0.888(4) 0.2451(13)
O39 O 0.2823(18) 0.0535(12) 0.697(2)
C205 C 0.136(3) 0.6590(16) 0.286(2)
O40 O 0.314(6) 0.079(2) 0.759(2)
Cl19 Cl 0.5702(10) 0.6040(7) 0.2437(6)
Cl20 Cl 0.7999(8) 0.6123(6) 0.1223(6)
Cl21 Cl 0.3345(14) 0.7612(10) 0.2604(8)
Cl22 Cl 0.5519(19) 0.5969(14) 0.1509(12)
Cl23 Cl 0.1794(15) 0.5831(13) 0.2837(9)
Cl24? Cl 0.163(5) 0.629(3) 0.3486(19)
Cl25 Cl 0.179(2) 0.6894(18) 0.3256(14)
O41 O 0.581(5) 0.806(3) 0.246(3)
C206 C 0.5198(15) 0.5738(14) 0.2098(12)
O42 O 0.8122(13) 0.2299(10) 0.6059(9)
O43 O 0.615(2) 0.748(3) 0.293(3)
O44 O 0.633(2) 0.647(2) 0.3522(16)
O45? O 0.6974(14) 0.6131(11) 0.1567(9)
O46 O 0.7002(16) 0.6757(13) 0.1645(10)
C207 C 0.506(2) 0.5968(19) 0.4353(19)
C208 C 0.3192(11) 0.3007(8) 0.5683(7)
C209 C 0.8296(10) 0.2340(8) 0.6598(7)
H1 H 1.05160 0.04040 0.29200
H2 H 0.73980 0.34410 0.25690
H3 H 1.09980 0.15050 0.13790
H4 H 0.74500 0.12310 0.22280
H5 H 0.90050 -0.01550 0.14780
H6 H 0.92680 0.14040 0.16350
H7 H 0.78030 0.05270 0.33060
H8 H 0.74440 0.19370 0.30920
H9 H 0.94380 0.10120 0.37620
H10 H 1.17360 0.25730 0.18130
H11 H 0.92400 -0.04710 0.40190
H12 H 0.96330 0.27100 -0.01910
H13 H 1.27540 0.02280 0.06850
H14 H 0.71590 0.09710 0.47510
H15 H 1.24470 0.35350 0.19320
H16 H 0.69070 0.14340 0.09880
H17 H 1.15880 -0.05840 0.21170
H18 H 1.22770 0.05930 0.33870
H19 H 1.04610 0.18650 0.01180
H20 H 0.59120 0.22350 0.06510
H21 H 1.20620 0.11340 0.57190
H22 H 0.90350 0.27980 0.44890
H23 H 0.98420 0.36510 0.33950
H24 H 1.30970 0.15830 0.36050
H25 H 1.04100 0.03880 0.09090
H26 H 0.87910 0.16580 0.48400
H27 H 1.20250 -0.09380 0.38560
H28 H 0.89720 0.37120 0.19740
H29 H 0.96010 0.10940 0.26650
H30 H 1.39360 -0.06850 0.21120
H31 H 1.43350 0.20970 0.18440
H32 H 1.13280 -0.04420 0.12600
H33 H 0.80680 0.43280 0.05530
H34 H 1.09730 0.00080 0.49170
H35 H 1.02170 -0.11880 0.36970
H36 H 0.62820 0.40440 0.15060
H37 H 1.03610 -0.12420 0.28700
H38 H 0.81990 0.20090 0.02510
H39 H 0.53590 0.32410 0.27190
H40 H 0.67120 0.45370 0.46930
H41 H 0.53530 0.29200 0.10920
H42 H 1.13570 0.26740 0.33730
H43 H 1.09740 0.37670 0.14650
H44 H 0.68410 0.26210 0.42170
H45 H 0.95670 -0.11270 0.13590
H46 H 1.01070 -0.07630 0.12400
H47 H 0.76730 0.23790 0.48290
H48 H 0.67300 0.17130 0.52810
H49 H 0.64260 0.11990 0.54760
H50 H 0.65490 0.36750 0.07760
H51 H 1.38350 -0.04880 0.29100
H52 H 0.71290 0.23380 -0.01830
H53 H 0.76300 0.27010 -0.04470
H54 H 0.55990 0.47970 0.31590
H55 H 0.44560 0.19300 0.30260
H56 H 1.24180 0.20290 0.04110
H57 H 0.97830 0.46640 0.05720
H58 H 0.47220 0.40780 0.22390
H59 H 0.41430 0.37460 0.23910
H60 H 1.35770 -0.01170 0.46500
H61 H 1.30920 0.33080 0.30980
H62 H 1.36530 0.10450 0.29140
H63 H 1.33180 0.13430 0.21130
H64 H 1.06030 0.36200 -0.04790
H65 H 1.25070 0.38530 0.37370
H66 H 0.96000 0.18380 0.24140
H67 H 0.90840 0.20010 0.28820
H68 H 1.36840 0.28690 -0.05420
H69 H 0.82120 0.47600 0.36080
H70 H 1.11220 -0.15370 0.13370
H71 H 0.96520 0.51070 0.23120
H72 H 0.76550 0.38300 0.50630
H73 H 0.99140 0.27110 0.58980
H74 H 1.29110 0.37390 -0.03460
H75 H 0.74190 0.49840 0.22150
H76 H 0.35060 0.41810 0.16220
H77 H 0.97830 0.44800 -0.02260
H78 H 0.82290 0.45220 -0.02840
H79 H 0.76000 0.42430 -0.03130
H80 H 1.19950 0.23780 -0.12580
H81 H 1.00500 0.40370 0.49140
H82 H 1.04860 0.20160 0.67350
H83 H 1.06600 0.25640 0.64600
H84 H 0.47220 0.21800 0.44010
H85 H 0.73690 0.52540 0.30280
H86 H 1.41350 -0.03570 0.54810
H87 H 1.43340 0.02070 0.53010
H88 H 1.12590 0.45080 0.36680
H89 H 1.03930 0.29050 0.31850
H90 H 0.40100 0.24030 0.37200
H91 H 1.42830 0.21600 0.00850
H92 H 0.65000 0.34810 -0.06810
H93 H 0.47800 0.51700 0.36750
H94 H 0.51480 0.56570 0.35770
H95 H 1.19010 -0.07850 0.46700
H96 H 1.40420 -0.03350 0.04860
H97 H 1.34100 -0.06270 0.05850
H98 H 1.21230 0.18160 -0.02580
H99 H 1.26950 0.21180 -0.05170
H100 H 1.11610 0.34190 0.52520
H101 H 0.38760 0.48820 0.11030
H102 H 0.45880 0.43290 0.11670
H103 H 0.44970 0.48330 0.14710
H104 H 0.52870 0.18770 0.58260
H105 H 0.99160 0.26950 0.24070
H106 H 0.94350 0.28260 0.28940
H107 H 1.53910 0.13530 0.15220
H108 H 1.46530 0.11870 0.16320
H109 H 1.08800 0.23380 -0.09550
H110 H 1.12220 0.16780 -0.07780
H111 H 1.11850 0.19110 -0.13510
H112 H 1.06270 -0.20590 0.20100
H113 H 1.10860 -0.24500 0.16130
H114 H 1.02020 -0.22330 0.16240
H115 H 0.29070 0.50990 0.19210
H116 H 0.36230 0.50240 0.22120
H117 H 0.31210 0.46390 0.23970
H118 H 0.53260 0.33140 -0.05620
H119 H 0.56700 0.31950 -0.00340
H120 H 0.57190 0.26820 -0.03160
H121 H 0.78990 0.45910 -0.10860
H122 H 0.91570 0.54680 0.29560
H123 H 0.96900 0.58400 0.28930
H124 H 1.06110 -0.13660 0.05610
H125 H 1.01750 -0.17970 0.07520
H126 H 1.10590 -0.20170 0.07120
H127 H 1.05080 0.18640 0.27630
H128 H 1.00210 0.19950 0.32480
H129 H 0.71040 0.28420 -0.12550
H130 H 0.62320 0.30270 -0.13140
H131 H 0.66630 0.24270 -0.10210
H132 H 1.57340 0.08010 0.08750
H133 H 0.63410 0.14780 0.63580
H134 H 0.60010 0.21310 0.64130
H135 H 0.67250 0.19090 0.60700
H136 H 1.20290 0.27440 0.48100
H137 H 0.43490 0.54470 0.45420
H138 H 1.38780 -0.00510 0.63080
H139 H 0.75010 0.38830 -0.09810
H140 H 0.83220 0.34640 -0.10610
H141 H 0.79410 0.39420 -0.14950
H142 H 1.52130 0.02010 0.07210
H143 H 1.45830 0.08020 0.06990
H144 H 1.46210 0.03390 0.11680
H145 H 1.03010 0.57700 0.37890
H146 H 0.96710 0.62620 0.40260
H147 H 0.98920 0.63450 0.34530
H148 H 1.51110 -0.07310 0.61200
H149 H 1.52470 -0.02690 0.63930
H150 H 1.53540 -0.02330 0.58090
H151 H 0.90440 0.45840 -0.11250
H152 H 0.88040 0.43890 -0.15880
H153 H 0.93220 0.39330 -0.11910
H154 H 1.30850 0.16090 -0.11640
H155 H 1.25440 0.14740 -0.14960
H156 H 1.26290 0.12040 -0.09310
H157 H 0.91490 0.54980 0.38740
H158 H 1.52320 -0.07720 0.04770
H159 H 1.56510 -0.14330 0.05980
H160 H 1.53390 -0.10630 0.10350
H161 H 1.62410 -0.00760 0.14320
H162 H 1.56380 0.01650 0.18500
H163 H 1.62650 0.04440 0.16790
H164 H 1.41640 -0.19270 0.09250
H165 H 1.47040 -0.18640 0.13030
H166 H 1.50300 -0.20900 0.07930
H167 H 1.44950 -0.12760 0.03570
H168 H 0.53910 0.26510 0.52370
H169 H 0.61610 0.25870 0.54550
H170 H 0.54110 0.27970 0.57770
H171 H 0.84000 0.63970 0.38800
H172 H 0.81330 0.60890 0.35080
H173 H 0.85590 0.65240 0.33020
H174 H 0.35040 0.63890 0.41940
H175 H 0.35540 0.59580 0.38190
H176 H 0.40300 0.63740 0.37100
H177 H 1.08800 0.27170 0.73760
H178 H 1.14000 0.22180 0.77420
H179 H 1.06870 0.21510 0.75390
H180 H 1.21890 0.12920 0.73670
H181 H 1.19360 0.12310 0.68490
H182 H 1.13530 0.13340 0.73040
H183 H 1.44740 0.06190 0.63720
H184 H 1.39060 0.09030 0.59420
H185 H 1.47640 0.06130 0.58110
H186 H 1.19960 0.21870 0.68710
H187 H 0.54670 0.56880 0.45370
H188 H 0.48220 0.62790 0.45440
H189 H 0.52550 0.61120 0.40390
#END
