
###########################################################################
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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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#  generating routine backup copies on your local computer system.
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data_CSD_CIF_MUKGAB
_audit_creation_date 2010-07-30
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD MUKGAB
_database_code_depnum_ccdc_archive 'CCDC 720253'
_chemical_formula_sum 'C181.2 H184.4 Cl1.36 F8 N29 O32'
_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 32.963(7)
_cell_length_b 40.911(8)
_cell_length_c 38.539(8)
_cell_angle_alpha 90
_cell_angle_beta 98.16(3)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Cl 0.99
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 0.38112(10) 0.87748(8) 0.15973(7)
F2 F 0.45521(10) 0.96692(9) 0.19907(7)
F3 F 0.58811(10) 0.92376(8) 0.23043(7)
F4 F 0.56410(11) 0.81578(10) 0.27260(8)
F5 F 0.63010(11) 0.85355(8) 0.42976(7)
F6 F 0.57403(11) 0.95692(10) 0.38774(7)
F7 F 0.43582(13) 0.93253(11) 0.36001(8)
N1 N 0.50797(19) 1.01623(13) 0.20873(9)
H1 H 0.51460 0.99540 0.21070
N2 N 0.36341(17) 0.81404(17) 0.14768(11)
N3 N 0.68326(18) 0.90196(18) 0.41910(11)
F8 F 0.43779(13) 0.82308(12) 0.31988(9)
O1 O 0.46140(15) 0.96225(14) -0.04973(9)
N4 N 0.4618(2) 0.91663(16) 0.04102(12)
O2 O 0.53631(15) 1.06746(14) 0.20933(9)
O3 O 0.34371(17) 0.95736(16) 0.01742(10)
N5 N 0.32810(15) 0.92204(17) 0.17376(10)
H2 H 0.35480 0.92480 0.17810
N6 N 0.3934(2) 0.91866(15) 0.02221(12)
H3 H 0.39660 0.89730 0.02150
O4 O 0.72372(18) 0.87675(14) 0.23975(11)
O5 O 0.26817(16) 0.95098(13) 0.16987(11)
N7 N 0.58211(18) 0.98921(15) 0.22183(10)
N8 N 0.37235(19) 0.97454(14) 0.18613(10)
N9 N 0.5221(2) 1.00771(16) 0.38044(11)
N10 N 0.64083(19) 0.82964(17) 0.25819(11)
O6 O 0.68937(16) 1.04285(14) 0.22935(11)
N11 N 0.4208(2) 0.77486(14) 0.12826(12)
H4 H 0.42080 0.79630 0.12980
N12 N 0.65488(19) 0.96144(14) 0.40369(10)
H5 H 0.64120 0.94290 0.40140
N13 N 0.65801(18) 0.89069(18) 0.24375(11)
H6 H 0.63420 0.88250 0.24710
N14 N 0.65110(19) 0.79191(17) 0.44488(12)
H7 H 0.62610 0.79980 0.44390
C1 C 0.3426(2) 0.8663(2) 0.16072(13)
O7 O 0.5721(2) 1.10198(18) 0.38835(11)
O8 O 0.24431(17) 0.78182(16) 0.15016(12)
N15 N 0.34222(18) 0.87551(19) -0.00707(12)
N16 N 0.5297(2) 0.9072(2) 0.05793(14)
H8 H 0.52210 0.88720 0.06260
C2 C 0.3149(2) 0.8896(2) 0.16777(13)
C3 C 0.4662(2) 1.02332(19) 0.20284(12)
O9 O 0.39858(17) 0.77037(16) -0.03861(13)
O10 O 0.68736(17) 0.74414(13) 0.45071(13)
O11 O 0.62008(19) 0.74706(13) 0.45923(12)
C4 C 0.6163(3) 1.04123(18) 0.22000(14)
H9 H 0.61360 1.06420 0.21690
C5 C 0.3332(2) 0.8342(2) 0.15512(13)
C6 C 0.6686(2) 0.8453(2) 0.43124(13)
N17 N 0.4808(2) 0.78314(16) 0.10838(14)
O12 O 0.38113(17) 0.73052(15) 0.13446(12)
O13 O 0.32530(18) 1.06858(15) 0.18080(12)
O14 O 0.3103(2) 1.0016(3) -0.05519(19)
N18 N 0.5399(2) 0.75597(17) 0.28785(13)
H10 H 0.52650 0.77400 0.29130
N19 N 0.4489(2) 0.9078(2) -0.04984(13)
H11 H 0.42890 0.89350 -0.05470
N20 N 0.4490(2) 0.84544(19) -0.03388(12)
C7 C 0.6812(2) 0.8144(2) 0.43913(15)
C8 C 0.3255(3) 0.9034(2) 0.00029(15)
N21 N 0.4420(3) 0.9958(2) 0.36829(11)
H12 H 0.46230 0.98170 0.37080
N22 N 0.3720(3) 0.91729(18) -0.07840(13)
C9 C 0.4392(2) 0.99748(19) 0.19791(12)
O15 O 0.42866(19) 1.05153(15) 0.36602(10)
C10 C 0.3321(2) 0.97961(19) 0.17979(13)
O16 O 0.80540(19) 0.87737(18) 0.41910(16)
C11 C 0.2738(2) 0.8795(2) 0.16974(14)
H13 H 0.25410 0.89500 0.17500
C12 C 0.3970(2) 1.00139(18) 0.19107(12)
C13 C 0.6984(2) 0.8705(2) 0.42523(13)
C14 C 0.3355(3) 0.8204(2) -0.02741(15)
C15 C 0.6564(3) 0.9930(2) 0.23079(13)
N23 N 0.3778(2) 0.82109(17) -0.02452(13)
H14 H 0.38840 0.83990 -0.01680
C16 C 0.6314(3) 0.9901(2) 0.40016(14)
C17 C 0.4096(3) 1.06010(18) 0.19547(13)
H15 H 0.39960 1.08190 0.19490
C18 C 0.6198(2) 0.9749(2) 0.22805(12)
C19 C 0.3158(3) 0.8508(2) -0.01927(14)
C20 C 0.6229(2) 0.9412(2) 0.23256(13)
C21 C 0.5623(3) 1.0138(2) 0.38758(13)
C22 C 0.5810(3) 1.0451(2) 0.39191(14)
C23 C 0.4989(3) 0.9300(3) 0.04882(15)
N24 N 0.4645(3) 0.7631(2) 0.30596(15)
C24 C 0.3530(2) 0.7826(2) 0.14248(14)
C25 C 0.4299(3) 0.9360(2) 0.03188(15)
C26 C 0.4867(3) 0.8608(3) -0.03087(16)
C27 C 0.7393(2) 0.8618(2) 0.42692(16)
C28 C 0.5234(3) 0.8431(3) -0.02168(16)
C29 C 0.3051(3) 0.9501(2) 0.17380(13)
C30 C 0.4715(3) 0.9832(2) 0.03783(17)
H16 H 0.47440 1.00620 0.03650
O17 O 0.7232(2) 0.75287(16) 0.25661(15)
C31 C 0.4568(3) 0.7612(2) 0.11932(16)
C32 C 0.5912(3) 0.7907(2) 0.27259(15)
C33 C 0.4060(3) 0.7993(3) -0.03096(17)
C34 C 0.6964(3) 0.9590(2) 0.41021(15)
C35 C 0.4502(3) 1.05496(18) 0.20195(13)
H17 H 0.46830 1.07310 0.20600
C36 C 0.7116(3) 0.9243(2) 0.41495(14)
C37 C 0.5790(3) 0.7604(2) 0.28000(16)
C38 C 0.2829(3) 0.9095(2) -0.00468(16)
H18 H 0.27230 0.93040 -0.00030
C39 C 0.2837(3) 0.7905(3) 0.14941(16)
C40 C 0.6534(3) 1.0275(2) 0.22633(14)
C41 C 0.6231(3) 1.0488(2) 0.40033(15)
H19 H 0.63450 1.07010 0.40320
O18 O 0.58707(18) 0.93968(19) 0.05634(13)
O19 O 0.5570(2) 0.7927(2) -0.00717(15)
C42 C 0.4832(3) 0.7938(2) -0.01970(18)
H20 H 0.48070 0.77080 -0.01710
C43 C 0.4330(3) 0.9691(2) 0.03024(13)
H21 H 0.40940 0.98230 0.02400
C44 C 0.4479(3) 0.8137(3) -0.02777(18)
C45 C 0.7523(3) 0.9185(3) 0.41477(16)
H22 H 0.77040 0.93590 0.41110
N25 N 0.3629(3) 0.9005(3) 0.34892(14)
C46 C 0.3310(3) 0.9750(4) -0.0638(2)
C47 C 0.5704(4) 0.9131(3) 0.06020(16)
C48 C 0.6079(3) 0.7340(2) 0.27988(18)
H23 H 0.60050 0.71240 0.28540
C49 C 0.6779(3) 0.8349(2) 0.25141(15)
C50 C 0.4377(3) 0.9393(3) -0.05432(14)
N26 N 0.5409(2) 0.7976(2) 0.08856(15)
H24 H 0.52890 0.81660 0.08420
C51 C 0.3290(4) 0.9208(4) -0.0864(2)
C52 C 0.3810(2) 1.03368(19) 0.18945(13)
C53 C 0.3920(3) 0.9438(3) -0.06385(16)
O20 O 0.72006(18) 0.98132(16) 0.41142(12)
C54 C 0.4868(3) 0.8946(2) -0.03884(16)
C55 C 0.2629(2) 0.8474(2) 0.16407(15)
H25 H 0.23560 0.84040 0.16500
C56 C 0.5114(4) 1.0667(3) 0.37862(15)
H26 H 0.49230 1.08420 0.37500
O21 O 0.3536(3) 0.85210(19) -0.09344(18)
C57 C 0.5900(3) 0.9877(2) 0.39215(13)
C58 C 0.3114(3) 0.7935(2) -0.03744(17)
H27 H 0.32390 0.77340 -0.04220
C59 C 0.7225(3) 0.8065(2) 0.44036(16)
H28 H 0.73130 0.78470 0.44590
C60 C 0.2935(3) 0.8245(2) 0.15668(15)
C61 C 0.6586(2) 0.9243(2) 0.23858(13)
C62 C 0.3661(4) 1.0014(3) 0.36119(16)
H29 H 0.36660 1.02460 0.36240
O22 O 0.5329(2) 0.70038(19) 0.28718(15)
O23 O 0.2162(2) 0.88602(19) -0.02130(13)
C63 C 0.5047(3) 0.9643(3) 0.04705(16)
H30 H 0.53120 0.97370 0.05220
C64 C 0.6888(3) 1.0782(3) 0.2237(2)
H31 H 0.67680 1.08940 0.24260
H32 H 0.67190 1.08350 0.20100
C65 C 0.7081(3) 0.8108(3) 0.25041(17)
H33 H 0.73460 0.81610 0.24530
C66 C 0.6963(2) 0.9429(2) 0.24099(14)
H34 H 0.72210 0.93230 0.24540
N27 N 0.5773(2) 0.8550(3) 0.07234(14)
C67 C 0.5612(3) 0.8932(3) -0.02416(18)
H35 H 0.58630 0.90500 -0.02140
C68 C 0.4665(3) 0.7271(2) 0.12269(17)
H36 H 0.44830 0.71190 0.13110
C69 C 0.5809(2) 1.0212(2) 0.21793(12)
C70 C 0.3549(3) 0.9286(2) 0.01386(16)
O24 O 0.2953(2) 0.8328(2) 0.33934(15)
C71 C 0.3388(3) 1.0372(2) 0.18238(15)
C72 C 0.5524(4) 1.0721(2) 0.38590(16)
C73 C 0.2741(3) 0.8529(3) -0.02343(17)
C74 C 0.5398(2) 1.0379(2) 0.21176(12)
C75 C 0.6261(3) 0.6891(2) 0.4406(2)
H37 H 0.65490 0.69120 0.43740
H38 H 0.60860 0.69500 0.41880
H39 H 0.62050 0.66650 0.44690
C76 C 0.3299(3) 0.9845(4) 0.35741(18)
H40 H 0.30510 0.99640 0.35770
C77 C 0.3133(2) 1.0107(2) 0.17778(14)
H41 H 0.28430 1.01310 0.17340
C78 C 0.4014(4) 0.9500(3) 0.35900(16)
C79 C 0.4544(3) 1.0286(3) 0.37012(14)
N28 N 0.3643(3) 0.8363(3) 0.33487(15)
H42 H 0.38500 0.85010 0.33580
C80 C 0.6169(3) 0.7124(2) 0.47056(19)
C81 C 0.5250(3) 0.9092(2) -0.03417(16)
H43 H 0.52610 0.93210 -0.03820
C82 C 0.3861(3) 0.7600(2) 0.13496(16)
C83 C 0.7667(3) 0.8866(3) 0.42005(18)
C84 C 0.5611(3) 0.8601(3) -0.01815(16)
H44 H 0.58620 0.84870 -0.01170
C85 C 0.6309(3) 0.7982(2) 0.26508(14)
C86 C 0.7509(3) 0.8294(3) 0.43381(16)
H45 H 0.77870 0.82310 0.43400
C87 C 0.6882(3) 0.8693(2) 0.24431(14)
C88 C 0.6552(3) 0.7594(3) 0.45185(17)
C89 C 0.3140(3) 0.7703(2) 0.14303(17)
H46 H 0.30860 0.74770 0.13890
C90 C 0.4988(3) 1.0336(3) 0.37666(14)
C91 C 0.5162(4) 0.7723(3) 0.10020(19)
C92 C 0.4043(3) 0.9821(3) 0.36331(15)
C93 C 0.2319(3) 0.7492(3) 0.1395(3)
H47 H 0.24100 0.73310 0.15830
H48 H 0.24280 0.74270 0.11790
C94 C 0.4130(4) 0.7979(3) 0.32105(18)
C95 C 0.6486(3) 1.0218(2) 0.40457(13)
H49 H 0.67740 1.02450 0.41040
C96 C 0.2574(3) 0.8839(3) -0.01619(17)
O25 O 0.2563(3) 0.9526(2) 0.34675(17)
C97 C 0.3738(4) 0.8036(4) 0.32872(19)
O26 O 0.3848(2) 0.6838(3) 0.3060(2)
O27 O 0.6021(2) 0.7691(2) 0.08483(16)
C98 C 0.5967(3) 0.8824(4) 0.06660(17)
C99 C 0.5462(4) 1.1313(3) 0.3826(2)
H50 H 0.52620 1.13210 0.39950
H51 H 0.53110 1.13160 0.35850
C100 C 0.5300(3) 0.7395(3) 0.1015(2)
H52 H 0.55560 0.73320 0.09490
C101 C 0.6572(3) 0.7714(3) 0.26465(16)
C102 C 0.6940(2) 0.9765(2) 0.23679(15)
H53 H 0.71860 0.98870 0.23800
C103 C 0.2520(3) 0.8241(3) -0.03439(18)
H54 H 0.22290 0.82500 -0.03750
C104 C 0.6477(3) 0.7069(2) 0.50414(18)
H55 H 0.67570 0.70810 0.49850
H56 H 0.64300 0.68530 0.51390
H57 H 0.64390 0.72380 0.52140
C105 C 0.3278(4) 0.9513(4) 0.35325(18)
C106 C 0.4251(3) 0.7673(3) 0.31415(19)
C107 C 0.3987(4) 0.7411(4) 0.3155(2)
C108 C 0.6004(3) 0.8284(4) 0.07684(18)
C109 C 0.3737(3) 0.9731(3) -0.05664(16)
H58 H 0.38970 0.99120 -0.04720
C110 C 0.4111(4) 0.7107(4) 0.3076(3)
C111 C 0.5207(4) 0.8083(3) -0.01574(19)
C112 C 0.4763(3) 0.7333(3) 0.29936(19)
C113 C 0.2699(3) 0.7956(3) -0.0406(2)
H59 H 0.25350 0.77690 -0.04710
C114 C 0.6976(3) 0.7800(3) 0.25695(19)
C115 C 0.5727(3) 0.7104(2) 0.4773(2)
H60 H 0.56850 0.72550 0.49620
H61 H 0.56670 0.68810 0.48410
H62 H 0.55440 0.71640 0.45600
C116 C 0.3468(4) 0.7781(4) 0.3301(2)
H63 H 0.32020 0.78230 0.33590
C117 C 0.3634(3) 0.9328(4) 0.35347(16)
C118 C 0.5191(4) 0.7277(3) 0.2911(2)
C119 C 0.7328(4) 1.0897(3) 0.2234(4)
H64 H 0.74750 1.08530 0.24750
C120 C 0.4504(4) 0.7057(3) 0.2993(2)
H65 H 0.45950 0.68460 0.29380
C121 C 0.3092(4) 0.9483(4) -0.0790(3)
C122 C 0.6444(4) 0.7401(2) 0.27205(18)
H66 H 0.66300 0.72240 0.27140
C123 C 0.5820(3) 0.7956(4) 0.08330(19)
C124 C 0.3266(4) 0.8503(5) 0.3398(2)
C125 C 0.3272(4) 0.8854(4) 0.34408(18)
C126 C 0.6425(4) 0.8265(4) 0.0761(2)
H67 H 0.65680 0.80620 0.07850
C127 C 0.3573(4) 0.7485(4) 0.3235(3)
H68 H 0.33800 0.73130 0.32390
C128 C 0.6388(4) 0.8848(4) 0.06650(19)
H69 H 0.65140 0.90520 0.06310
C129 C 0.2892(3) 0.9324(5) 0.3475(2)
C130 C 0.3304(3) 1.0260(3) -0.0322(3)
H70 H 0.34930 1.03850 -0.04510
H71 H 0.34720 1.01500 -0.01230
C131 C 0.2663(4) 0.9495(3) -0.0876(2)
H72 H 0.25280 0.96910 -0.08260
C132 C 0.1662(3) 0.7745(3) 0.1062(3)
H73 H 0.17910 0.79600 0.11010
H74 H 0.13670 0.77640 0.10690
H75 H 0.17070 0.76610 0.08320
C133 C 0.2809(3) 1.0732(3) 0.1717(3)
H76 H 0.26610 1.06530 0.19070
H77 H 0.27040 1.06150 0.14980
C134 C 0.5033(4) 0.7172(3) 0.1132(2)
H78 H 0.51050 0.69470 0.11460
C135 C 0.5561(4) 0.7579(4) -0.0037(3)
H79 H 0.53820 0.74830 -0.02400
H80 H 0.54490 0.75190 0.01790
C136 C 0.2434(6) 0.9255(6) -0.1021(4)
H81 H 0.21440 0.92690 -0.10720
N29 N 0.3276(5) 0.8616(4) -0.1123(3)
C137 C 0.2177(4) 0.9374(5) 0.3409(4)
H82 H 0.21550 0.92220 0.36050
H83 H 0.21590 0.92430 0.31920
C138 C 0.6623(4) 0.8559(5) 0.0717(2)
H84 H 0.69120 0.85650 0.07210
C139 C 0.2889(4) 0.9001(4) 0.3432(2)
H85 H 0.26420 0.88790 0.33980
C140 C 0.2997(4) 1.0515(5) -0.0169(5)
H86 H 0.31180 1.06960 -0.00130
C141 C 0.3099(4) 0.8895(5) -0.1040(3)
C142 C 0.2662(7) 0.8968(5) -0.1096(4)
H87 H 0.24960 0.87950 -0.12020
C143 C 0.5772(6) 1.1606(3) 0.3885(4)
H88 H 0.59340 1.15980 0.41250
C144 C 0.2697(4) 1.0273(4) -0.0028(4)
H89 H 0.28300 1.01770 0.01920
H90 H 0.26230 1.01000 -0.02000
H91 H 0.24490 1.03900 0.00150
C145 C 0.7640(3) 0.7601(3) 0.2463(4)
H92 H 0.78120 0.77320 0.26430
H93 H 0.76140 0.77170 0.22350
C146 C 0.8330(3) 0.9019(3) 0.4074(3)
H94 H 0.84150 0.91810 0.42610
H95 H 0.81950 0.91360 0.38640
C147 C 0.1970(3) 0.9176(3) -0.0145(3)
H96 H 0.20400 0.93470 -0.03090
H97 H 0.20580 0.92500 0.00990
C148 C 0.7817(4) 0.7245(5) 0.2434(7)
H98 H 0.78410 0.71350 0.26680
C149 C 0.1837(4) 0.7523(3) 0.1329(4)
H99 H 0.17760 0.76310 0.15490
C150 C 0.2735(5) 1.0602(4) -0.0508(5)
H100 H 0.28870 1.07500 -0.06430
H101 H 0.24850 1.07110 -0.04580
H102 H 0.26630 1.04030 -0.06440
C151 C 0.4002(5) 0.6499(4) 0.2953(6)
H103 H 0.40710 0.64980 0.27110
H104 H 0.42380 0.64180 0.31190
O28 O 0.3129(4) 0.8531(4) -0.1385(3)
C152 C 0.7555(5) 1.0717(4) 0.1994(4)
H105 H 0.75460 1.04820 0.20450
H106 H 0.78400 1.07910 0.20240
H107 H 0.74290 1.07560 0.17510
C153 C 0.7316(6) 1.1260(4) 0.2194(5)
H108 H 0.71610 1.13540 0.23690
H109 H 0.71830 1.13170 0.19580
H110 H 0.75960 1.13460 0.22300
C154 C 0.1496(4) 0.9100(5) -0.0208(5)
H111 H 0.13850 0.89280 -0.00640
C155 C 0.6028(7) 1.1592(4) 0.3626(6)
H112 H 0.62120 1.14040 0.36700
H113 H 0.61910 1.17930 0.36320
H114 H 0.58620 1.15700 0.33960
C156 C 0.7565(7) 0.7044(5) 0.2171(5)
H115 H 0.72880 0.70230 0.22340
H116 H 0.76880 0.68270 0.21630
H117 H 0.75500 0.71480 0.19410
C157 C 0.5503(6) 1.1899(4) 0.3843(4)
H118 H 0.53530 1.19170 0.40450
H119 H 0.53080 1.18790 0.36280
H120 H 0.56720 1.20950 0.38300
C158 C 0.1423(5) 0.9070(5) -0.0612(5)
H121 H 0.14980 0.88490 -0.06800
H122 H 0.15920 0.92310 -0.07140
H123 H 0.11330 0.91100 -0.06990
C159 C 0.8729(5) 0.8809(6) 0.3982(8)
H124 H 0.86580 0.86620 0.37740
C160 C 0.5989(7) 0.7447(4) -0.0022(4)
H125 H 0.61800 0.75530 0.01700
C161 C 0.6114(8) 0.7524(4) -0.0381(6)
H126 H 0.61150 0.77610 -0.04160
H127 H 0.59180 0.74220 -0.05650
H128 H 0.63890 0.74370 -0.03920
C162 C 0.2761(5) 1.1129(5) 0.1666(7)
H129 H 0.28770 1.12280 0.18960
C163 C 0.3011(16) 1.1247(11) 0.1413(15)
H130 H 0.33000 1.12000 0.14970
H131 H 0.29720 1.14830 0.13830
H132 H 0.29300 1.11370 0.11880
C164 C 0.5954(9) 0.7081(5) 0.0040(7)
H133 H 0.58790 0.70440 0.02740
H134 H 0.62180 0.69760 0.00240
H135 H 0.57430 0.69880 -0.01370
C165 C 0.1338(6) 0.9444(6) -0.0198(8)
H136 H 0.13670 0.95200 0.00460
H137 H 0.10490 0.94500 -0.03000
H138 H 0.14960 0.95870 -0.03330
C166 C 0.1653(6) 0.7221(6) 0.1344(9)
H139 H 0.18030 0.70930 0.15360
H140 H 0.16570 0.71060 0.11220
H141 H 0.13690 0.72510 0.13860
C167 C 0.2317(5) 1.1158(5) 0.1642(8)
H142 H 0.22280 1.10660 0.18540
H143 H 0.21860 1.10380 0.14360
H144 H 0.22390 1.13890 0.16210
C168 C 0.8233(7) 0.7304(6) 0.2337(10)
H145 H 0.83980 0.74260 0.25250
H146 H 0.82090 0.74300 0.21190
H147 H 0.83650 0.70940 0.23040
C169 C 0.1825(7) 0.9601(7) 0.3376(7)
H148 H 0.18540 0.97500 0.31750
C170 C 0.3606(11) 0.6311(7) 0.2984(16)
H149 H 0.35280 0.63600 0.32190
C171 C 0.8993(8) 0.9092(6) 0.3905(15)
H150 H 0.88450 0.92240 0.37160
H151 H 0.92470 0.90090 0.38320
H152 H 0.90580 0.92260 0.41160
C172 C 0.1416(10) 0.9445(11) 0.3299(13)
H153 H 0.12020 0.96130 0.32770
H154 H 0.13760 0.92950 0.34900
H155 H 0.13980 0.93220 0.30790
C173 C 0.3793(10) 0.5984(9) 0.3001(19)
H156 H 0.39820 0.59620 0.32200
H157 H 0.39430 0.59540 0.28010
H158 H 0.35770 0.58180 0.29930
C174 C 0.8923(5) 0.8632(8) 0.4292(9)
H159 H 0.87380 0.84600 0.43510
H160 H 0.89810 0.87840 0.44890
H161 H 0.91800 0.85340 0.42420
C175 C 0.327(2) 0.641(2) 0.2722(10)
H162 H 0.31800 0.66330 0.27800
H163 H 0.30400 0.62600 0.27200
H164 H 0.33600 0.64170 0.24910
C176 C 0.1903(6) 0.9795(8) 0.3688(12)
H165 H 0.16950 0.99670 0.36800
H166 H 0.21750 0.98940 0.37030
H167 H 0.18910 0.96560 0.38930
O29 O 0.4718(2) 0.8605(2) 0.08197(19)
O30 O 0.5702(2) 0.8077(2) 0.45400(17)
C177 C 0.4803(4) 0.8897(3) 0.1713(4)
H168 H 0.45150 0.88860 0.17590
H169 H 0.48510 0.91210 0.16300
C178 C 0.4852(4) 0.8680(4) 0.1447(3)
H170 H 0.48440 0.84550 0.15400
H171 H 0.51270 0.87140 0.13770
C179 C 0.5068(3) 0.8843(4) 0.2037(4)
H172 H 0.51800 0.86180 0.20350
H173 H 0.53010 0.89970 0.20500
C180 C 0.4543(4) 0.8707(4) 0.1133(2)
O31 O 0.4043(10) 0.1207(7) 0.3474(5)
O32? O 0.4400(3) 0.8416(3) 0.1199(3)
C181 C 0.4880(2) 0.8882(2) 0.2334(3)
H174 H 0.46740 0.87050 0.23330
H175 H 0.47270 0.90910 0.23100
Cl1 Cl 0.7975(4) 0.1724(2) 0.1759(3)
Cl2? Cl 0.7949(4) 0.1790(3) 0.1113(3)
Cl3 Cl 0.8536(5) 0.1461(4) 0.1468(7)
C182 C 0.8317(6) 0.1852(5) 0.1480(5)
H176 H 0.84840 0.20560 0.15190
O33 O 0.3245(8) 0.6985(6) 0.4025(7)
H177 H 0.4757(5) 0.8444(5) 0.0573(5)
O29A O 0.5282(2) 0.8605(2) 0.41803(19)
C177A C 0.5197(4) 0.8897(3) 0.3287(4)
H168A H 0.54850 0.88860 0.32410
H169A H 0.51490 0.91210 0.33700
C178A C 0.5148(4) 0.8680(4) 0.3553(3)
H170A H 0.51560 0.84550 0.34600
H171A H 0.48730 0.87140 0.36230
C179A C 0.4932(3) 0.8843(4) 0.2963(4)
H172A H 0.48200 0.86180 0.29650
H173A H 0.46990 0.89970 0.29500
C180A C 0.5457(4) 0.8707(4) 0.3867(2)
C181A C 0.5120(2) 0.8882(2) 0.2666(3)
H174A H 0.53260 0.87050 0.26670
H175A H 0.52730 0.90910 0.26900
H177A H 0.5243(5) 0.8444(5) 0.4427(5)
#END
