# Electronic Supplementary Material (ESI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mx7059c
_database_code_depnum_ccdc_archive 'CCDC 1971126'
_audit_update_record             
;
2019-12-10 deposited with the CCDC.	2020-07-01 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   18.4592(2)
_cell_length_b                   50.2145(6)
_cell_length_c                   28.4263(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.3820(10)
_cell_angle_gamma                90
_cell_volume                     25523.2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au2 Au 0.17899(4) 0.50673(2) 0.73952(3)
Au3 Au 0.16420(4) 0.46188(2) 0.79810(3)
C4 C 0.0893(11) 0.4985(4) 0.8679(7)
Au10 Au 0.39213(4) 0.46660(2) 0.70098(3)
C12 C 0.0578(12) 0.5199(4) 0.8404(8)
H12 H 0.024595 0.516773 0.810476
Au12 Au 0.28976(4) 0.49665(2) 0.82773(3)
C14 C 0.1594(11) 0.5295(4) 0.9266(7)
H14 H 0.195787 0.532324 0.955281
C103 C 0.0733(13) 0.5463(5) 0.8552(8)
H103 H 0.049383 0.560386 0.836288
C107 C -0.0169(12) 0.4635(4) 0.8086(8)
C108 C -0.0317(11) 0.4690(4) 0.7606(7)
H108 H 0.007726 0.473103 0.746819
C109 C -0.1058(12) 0.4687(4) 0.7305(8)
H109 H -0.115483 0.472487 0.697544
C110 C -0.1680(12) 0.4620(4) 0.7541(8)
H110 H -0.217590 0.462647 0.736349
C111 C -0.1509(13) 0.4551(5) 0.8009(8)
H111 H -0.188133 0.448508 0.814554
C112 C -0.0779(12) 0.4576(4) 0.8296(8)
H112 H -0.068753 0.455282 0.863044
Cu1A Cu 0.41097(13) 0.48029(5) 0.90160(9)
C1A C 0.5596(10) 0.4568(4) 0.8969(7)
S1A S 0.5501(3) 0.47278(11) 0.84120(19)
Au1A Au 0.27868(4) 0.46242(2) 0.75041(3)
P1A P 0.1540(3) 0.37400(10) 0.76257(19)
N1A N 0.5083(9) 0.4577(3) 0.9219(6)
P2A P 0.0786(3) 0.46499(10) 0.84359(18)
Au2A Au 0.31330(4) 0.44109(2) 0.84187(3)
S2A S 0.3234(3) 0.42250(10) 0.91837(18)
Cu2A Cu 0.27106(13) 0.55001(5) 0.79087(9)
N2A N 0.4424(8) 0.5200(3) 0.9027(5)
C2A C 0.6292(11) 0.4435(4) 0.9162(7)
H2A H 0.665402 0.443231 0.898574
P3A P 0.4583(3) 0.38501(10) 0.77623(19)
Cu3A Cu 0.22368(14) 0.54354(5) 0.67828(9)
N3A N 0.3456(9) 0.4741(3) 0.9503(6)
C3A C 0.6430(12) 0.4311(4) 0.9610(8)
H3A H 0.688025 0.422405 0.973942
Au3A Au 0.42216(4) 0.47165(2) 0.80587(3)
S3A S 0.1145(3) 0.54515(10) 0.70216(19)
N4A N 0.1819(8) 0.5739(3) 0.7820(5)
C4A C 0.5863(12) 0.4320(4) 0.9862(8)
H4A H 0.592392 0.423599 1.016072
S4A S 0.2981(3) 0.53597(10) 0.87314(19)
Au4A Au 0.21566(4) 0.41323(2) 0.75748(3)
Cu4A Cu 0.14600(13) 0.45540(5) 0.60040(8)
P4A P 0.4755(3) 0.47002(11) 0.65306(19)
C5A C 0.5201(12) 0.4461(4) 0.9651(8)
H5A H 0.483184 0.447251 0.982060
N5A N 0.3045(10) 0.5699(4) 0.6761(7)
Au5A Au 0.26378(4) 0.42993(2) 0.67198(3)
S5A S 0.3786(3) 0.55636(11) 0.7680(2)
Au6A Au 0.37556(4) 0.42005(2) 0.76417(3)
S6A S 0.0131(3) 0.44089(11) 0.66072(19)
N6A N 0.0806(9) 0.4899(3) 0.5809(6)
C6A C 0.3111(12) 0.4501(4) 0.9523(8)
Au7A Au 0.24486(4) 0.48764(2) 0.66223(3)
C7A C 0.2698(11) 0.4468(4) 0.9902(7)
H7A H 0.247156 0.430583 0.993620
N7A N 0.2191(8) 0.4498(3) 0.5592(6)
S7A S 0.2047(3) 0.52079(10) 0.60258(19)
Au8A Au 0.13441(4) 0.45540(2) 0.69524(3)
S8A S 0.2662(3) 0.40360(10) 0.60429(17)
C8A C 0.2650(13) 0.4673(5) 1.0197(9)
H8A H 0.240201 0.465482 1.044305
N8A N 0.0728(9) 0.4246(3) 0.5873(6)
C9A C 0.2989(12) 0.4915(4) 1.0122(8)
H9A H 0.295545 0.506098 1.031819
Au9A Au 0.34286(4) 0.51232(2) 0.74370(3)
C10A C 0.3348(10) 0.4939(4) 0.9784(7)
H10A H 0.354025 0.510565 0.973711
C11A C 0.0187(11) 0.4209(4) 0.6124(7)
C12A C -0.0354(13) 0.3999(5) 0.5994(8)
H12A H -0.071801 0.396814 0.616265
C13A C -0.0297(13) 0.3844(5) 0.5598(8)
H13A H -0.062474 0.370188 0.551112
C14A C 0.0190(12) 0.3886(4) 0.5340(8)
H14A H 0.018279 0.378597 0.506350
C15A C 0.0709(11) 0.4083(4) 0.5491(7)
H15A H 0.107159 0.410718 0.531849
C16A C 0.2201(10) 0.4688(4) 0.5233(6)
H16A H 0.193497 0.484422 0.523864
C17A C 0.2574(10) 0.4661(4) 0.4874(7)
H17A H 0.252883 0.478803 0.463084
C18A C 0.3021(11) 0.4436(4) 0.4885(7)
H18A H 0.328523 0.441183 0.464902
C19A C 0.3071(10) 0.4247(4) 0.5252(6)
H19A H 0.338289 0.410032 0.526571
C20A C 0.2649(10) 0.4277(4) 0.5603(7)
C21A C 0.1062(11) 0.5151(4) 0.5822(7)
C22A C 0.0614(12) 0.5365(5) 0.5685(8)
H22A H 0.081367 0.553635 0.570802
C23A C -0.0173(11) 0.5324(4) 0.5506(8)
H23A H -0.050198 0.546312 0.539174
C24A C -0.0411(12) 0.5065(4) 0.5513(8)
H24A H -0.092085 0.502790 0.541844
C25A C 0.0070(11) 0.4864(4) 0.5652(7)
H25A H -0.011734 0.469148 0.563824
C26A C 0.2945(15) 0.5838(5) 0.6348(10)
H26A H 0.252713 0.580714 0.609349
C27A C 0.3470(15) 0.6031(5) 0.6299(10)
H27A H 0.340883 0.612987 0.601526
C28A C 0.0676(11) 0.6108(4) 0.7678(7)
H28A H 0.030460 0.623779 0.761674
C29A C 0.0665(11) 0.5904(4) 0.7370(7)
H29A H 0.026544 0.588514 0.709926
C30A C 0.1224(10) 0.5728(4) 0.7451(7)
C31A C 0.1819(11) 0.5922(4) 0.8148(8)
H31A H 0.220060 0.592243 0.843174
C32A C 0.1258(12) 0.6117(4) 0.8084(8)
H32A H 0.128182 0.625071 0.831461
C33A C 0.4079(14) 0.6068(5) 0.6683(10)
H33A H 0.443590 0.619133 0.664561
C34A C 0.4201(14) 0.5936(5) 0.7120(10)
H34A H 0.461003 0.596533 0.738184
C35A C 0.3626(13) 0.5751(5) 0.7121(9)
C36A C 0.3928(10) 0.5418(4) 0.8901(7)
C37A C 0.4188(13) 0.5675(5) 0.8931(8)
H37A H 0.385558 0.581644 0.884020
C38A C 0.4968(13) 0.5725(5) 0.9101(8)
H38A H 0.514776 0.589867 0.911990
C39A C 0.5459(12) 0.5514(4) 0.9240(7)
H39A H 0.596936 0.554491 0.935501
C40A C 0.5180(11) 0.5254(4) 0.9206(7)
H40A H 0.551017 0.511350 0.930553
C41A C 0.5626(11) 0.4876(4) 0.6807(8)
C42A C 0.5906(11) 0.5072(4) 0.6540(8)
H42A H 0.564325 0.511440 0.622554
C43A C 0.6590(12) 0.5202(4) 0.6756(8)
H43A H 0.677986 0.533367 0.658971
C44A C 0.6979(12) 0.5124(4) 0.7238(8)
H44A H 0.744085 0.519789 0.738659
C45A C 0.6658(12) 0.4939(5) 0.7476(9)
H45A H 0.691450 0.489130 0.778927
C46A C 0.5985(12) 0.4821(4) 0.7283(8)
H46A H 0.577364 0.470587 0.746768
C47A C 0.5081(10) 0.4397(4) 0.6310(6)
C48A C 0.4621(10) 0.4173(4) 0.6244(6)
H48A H 0.417900 0.417610 0.634550
C49A C 0.4819(12) 0.3943(4) 0.6025(7)
H49A H 0.451512 0.379239 0.599009
C50A C 0.5462(12) 0.3938(4) 0.5862(7)
H50A H 0.557370 0.379060 0.569518
C51A C 0.5951(13) 0.4159(4) 0.5948(8)
H51A H 0.640846 0.414967 0.586726
C52A C 0.5752(11) 0.4392(4) 0.6155(7)
H52A H 0.605700 0.454159 0.618940
C53A C 0.4360(10) 0.4894(4) 0.6000(7)
C54A C 0.4452(11) 0.4821(4) 0.5539(7)
H54A H 0.471311 0.466732 0.549957
C55A C 0.4126(13) 0.4991(5) 0.5128(9)
H55A H 0.417229 0.494880 0.481850
C56A C 0.3765(13) 0.5208(5) 0.5202(9)
H56A H 0.358070 0.531789 0.493611
C57A C 0.3639(12) 0.5284(4) 0.5640(8)
H57A H 0.335894 0.543374 0.567092
C58A C 0.3962(12) 0.5119(5) 0.6039(9)
H58A H 0.390192 0.516562 0.634342
C59A C 0.5408(10) 0.3895(4) 0.7535(7)
C60A C 0.5851(12) 0.4102(5) 0.7676(8)
H60A H 0.569365 0.422903 0.786716
C61A C 0.6537(15) 0.4146(5) 0.7563(10)
H61A H 0.684788 0.428664 0.769476
C62A C 0.6729(13) 0.3961(5) 0.7235(9)
H62A H 0.716955 0.398437 0.713691
C63A C 0.6254(12) 0.3741(4) 0.7054(8)
H63A H 0.637407 0.361682 0.684258
C64A C 0.5634(11) 0.3724(4) 0.7202(7)
H64A H 0.531077 0.358531 0.707516
C65A C 0.4985(11) 0.3761(4) 0.8397(7)
C66A C 0.5624(12) 0.3603(4) 0.8514(8)
H66A H 0.585188 0.354232 0.827683
C67A C 0.5915(14) 0.3536(5) 0.9012(9)
H67A H 0.633461 0.342740 0.909497
C68A C 0.5608(13) 0.3625(5) 0.9372(9)
H68A H 0.582660 0.358329 0.969439
C69A C 0.4949(11) 0.3782(4) 0.9245(8)
H69A H 0.470492 0.383356 0.947959
C70A C 0.4672(11) 0.3858(4) 0.8752(7)
H70A H 0.427102 0.397591 0.866866
C71A C 0.4100(10) 0.3556(4) 0.7457(7)
C72A C 0.4069(10) 0.3319(4) 0.7702(7)
H72A H 0.433978 0.329861 0.802241
C73A C 0.3620(12) 0.3110(4) 0.7457(8)
H73A H 0.357570 0.295321 0.762108
C74A C 0.3245(11) 0.3138(4) 0.6975(7)
H74A H 0.295600 0.299828 0.681177
C75A C 0.3302(11) 0.3373(4) 0.6735(8)
H75A H 0.306414 0.339218 0.640771
C76A C 0.3722(10) 0.3584(4) 0.6992(7)
H76A H 0.373786 0.374641 0.683701
C77A C 0.2117(10) 0.3505(4) 0.8012(7)
C78A C 0.2672(13) 0.3598(5) 0.8434(8)
H78A H 0.275623 0.377969 0.848863
C79A C 0.3065(12) 0.3418(4) 0.8748(7)
H79A H 0.340841 0.347990 0.902330
C80A C 0.2990(12) 0.3155(4) 0.8686(8)
H80A H 0.328913 0.303977 0.890697
C81A C 0.2451(11) 0.3053(4) 0.8282(7)
H81A H 0.237516 0.287081 0.824183
C82A C 0.2055(12) 0.3223(4) 0.7960(7)
H82A H 0.172050 0.315466 0.768641
C83A C 0.1185(11) 0.3577(4) 0.7051(8)
C84A C 0.0512(12) 0.3421(4) 0.6937(8)
H84A H 0.023176 0.340381 0.716622
C85A C 0.0282(11) 0.3301(4) 0.6504(7)
H85A H -0.014592 0.319565 0.644313
C86A C 0.0672(11) 0.3330(4) 0.6142(7)
H86A H 0.051251 0.324659 0.584212
C87A C 0.1309(12) 0.3490(4) 0.6251(8)
H87C H 0.157086 0.351414 0.601393
C88A C 0.1569(11) 0.3612(4) 0.6694(7)
H88C H 0.199624 0.371795 0.675219
C89A C 0.0712(11) 0.3771(4) 0.7872(7)
C90A C 0.0153(11) 0.3952(4) 0.7652(7)
H90A H 0.020706 0.405557 0.739191
C91A C -0.0483(12) 0.3975(4) 0.7828(8)
H91A H -0.085333 0.409712 0.768854
C92A C -0.0564(13) 0.3819(4) 0.8207(8)
H92A H -0.099240 0.383470 0.832203
C93A C -0.0023(13) 0.3639(5) 0.8418(9)
H93A H -0.008640 0.353537 0.867665
C94A C 0.0600(11) 0.3610(4) 0.8257(7)
H94A H 0.095759 0.348435 0.839873
C95A C 0.0872(11) 0.4414(4) 0.8933(8)
C96A C 0.1209(12) 0.4183(4) 0.8926(8)
H96A H 0.141376 0.414337 0.866622
C97A C 0.1267(11) 0.3992(4) 0.9308(7)
H97A H 0.151226 0.383073 0.930126
C98A C 0.0973(13) 0.4049(5) 0.9661(8)
H98A H 0.100058 0.392323 0.990519
C99A C 0.0613(13) 0.4290(5) 0.9694(8)
H99A H 0.040470 0.432136 0.995524
C1B C 0.1406(12) 0.5042(4) 0.9123(8)
H1B H 0.162109 0.490150 0.932316
C1D C 0.1270(12) 0.5512(4) 0.9005(8)
H1D H 0.139239 0.568436 0.911692
C1E C 0.0568(12) 0.4483(4) 0.9339(8)
H1E H 0.035091 0.464783 0.936033
Au1 Au 0.77274(4) 0.18165(2) 0.76984(3)
N1 N 0.5354(9) 0.2073(3) 0.6077(6)
Cu1 Cu 0.62075(14) 0.17951(5) 0.62140(9)
C1 C 0.6218(11) 0.2292(4) 0.9124(8)
H1 H 0.633134 0.232719 0.882912
P1 P 0.6402(3) 0.26906(10) 0.77183(19)
S1 S 0.4966(3) 0.19082(12) 0.6886(2)
S2 S 0.7204(3) 0.23463(11) 0.61227(18)
P2 P 0.5825(3) 0.17993(10) 0.87279(18)
C2 C 0.6736(12) 0.1186(4) 0.9594(8)
H2 H 0.713106 0.116258 0.986656
N2 N 0.5729(9) 0.1421(3) 0.6096(6)
Cu2 Cu 0.73304(14) 0.09819(5) 0.70810(9)
N3 N 0.6821(9) 0.1864(3) 0.5720(6)
C3 C 0.5970(11) 0.2045(4) 0.9209(7)
P3 P 0.9421(3) 0.26043(11) 0.77521(19)
Cu3 Cu 0.78423(13) 0.09616(5) 0.82186(9)
S3 S 0.6254(3) 0.09504(10) 0.73276(19)
N4 N 0.8155(10) 0.0730(3) 0.7080(6)
P4 P 0.9588(3) 0.17590(10) 0.66364(19)
Au4 Au 0.88056(4) 0.17721(2) 0.71537(3)
S4 S 0.7066(3) 0.11794(10) 0.62877(18)
Cu4 Cu 0.91539(13) 0.17298(5) 0.91859(8)
Au5 Au 0.80988(4) 0.20737(2) 0.85746(3)
S5 S 0.8910(3) 0.09066(10) 0.79731(19)
N5 N 0.6952(8) 0.0729(3) 0.8197(6)
C5 C 0.5232(12) 0.2221(4) 0.5682(8)
H5 H 0.555784 0.220066 0.548251
Au6 Au 0.74075(4) 0.21026(2) 0.68490(3)
S6 S 1.0487(3) 0.17685(11) 0.85667(19)
N6 N 0.9581(9) 0.1338(3) 0.9328(5)
C6 C 0.7190(10) 0.2097(4) 0.5700(7)
N7 N 0.8536(9) 0.1803(3) 0.9694(6)
S7 S 0.8188(3) 0.11289(10) 0.90298(18)
C7 C 0.7486(12) 0.2145(4) 0.5291(8)
H7 H 0.769900 0.230996 0.525859
Au7 Au 0.79587(4) 0.15065(2) 0.85216(3)
N8 N 1.0101(10) 0.1968(4) 0.9348(6)
Au8 Au 0.92045(4) 0.17685(2) 0.82215(3)
C8 C 0.7464(10) 0.1951(4) 0.4939(7)
H8 H 0.766389 0.198651 0.467536
S8 S 0.8239(3) 0.22959(10) 0.93204(17)
Au9 Au 0.84554(4) 0.13308(2) 0.76753(3)
C9 C 0.7154(13) 0.1713(4) 0.4978(8)
H9 H 0.716599 0.157686 0.475887
C10 C 0.6807(10) 0.1678(4) 0.5366(6)
H10 H 0.655480 0.151920 0.538094
Au11 Au 0.68331(4) 0.13552(2) 0.76767(3)
C11 C 1.0625(11) 0.1969(4) 0.9097(7)
Au13 Au 0.66255(4) 0.18159(2) 0.82245(3)
C13 C 0.4896(12) 0.2106(4) 0.6368(8)
Au14 Au 0.73689(4) 0.15320(2) 0.68460(3)
Au15 Au 0.70295(4) 0.22962(2) 0.77180(3)
C15 C 1.0236(12) 0.2105(4) 0.9770(8)
H15 H 0.986208 0.211230 0.993592
Au16 Au 0.62426(4) 0.18367(2) 0.71887(3)
C16 C 0.8538(11) 0.1603(4) 1.0025(7)
H16 H 0.877846 0.144315 1.000161
C17 C 0.8184(10) 0.1641(4) 1.0389(7)
H17 H 0.819196 0.150560 1.061312
Au17 Au 0.86123(4) 0.22538(2) 0.77215(3)
C18 C 0.7813(11) 0.1879(4) 1.0434(7)
H18 H 0.755484 0.190011 1.067349
C19 C 0.7843(11) 0.2082(4) 1.0105(7)
H19 H 0.763700 0.224751 1.014207
C20 C 0.8183(10) 0.2040(4) 0.9714(6)
C21 C 0.9164(10) 0.1111(4) 0.9232(7)
C22 C 0.9513(13) 0.0871(5) 0.9329(8)
H22 H 0.924186 0.071405 0.924546
C23 C 1.0290(13) 0.0859(5) 0.9560(9)
H23 H 1.052361 0.069564 0.964275
C24 C 1.0680(13) 0.1085(5) 0.9656(8)
H24 H 1.119121 0.107839 0.979791
C25 C 1.0320(11) 0.1332(4) 0.9542(7)
H25 H 1.058841 0.148977 0.961425
C26 C 0.6948(12) 0.0566(4) 0.8549(8)
H26 H 0.733845 0.058249 0.882613
C27 C 0.6436(11) 0.0375(4) 0.8557(7)
H27 H 0.645124 0.027521 0.883475
C28 C 0.5867(12) 0.0335(4) 0.8115(8)
H28 H 0.554097 0.019102 0.807696
C29 C 0.5829(11) 0.0512(4) 0.7765(8)
H29 H 0.543111 0.050369 0.749021
C30 C 0.6365(10) 0.0712(4) 0.7793(7)
C31 C 0.8128(12) 0.0572(4) 0.6685(7)
H31 H 0.771362 0.058923 0.642286
C32 C 0.8660(12) 0.0392(4) 0.6646(8)
H32 H 0.861167 0.029029 0.636574
C33 C 0.9279(10) 0.0363(4) 0.7037(7)
H33 H 0.964416 0.023678 0.703068
C34 C 0.9340(11) 0.0521(4) 0.7423(7)
H34 H 0.976594 0.050893 0.767830
C35 C 0.8793(10) 0.0701(4) 0.7455(7)
C36 C 0.6073(12) 0.1194(4) 0.6085(7)
C37 C 0.5705(14) 0.0967(5) 0.5902(8)
H37 H 0.598093 0.081465 0.587816
C38 C 0.4996(13) 0.0956(5) 0.5762(8)
H38 H 0.476191 0.079748 0.564225
C39 C 0.4584(16) 0.1175(5) 0.5788(10)
H39 H 0.406496 0.117197 0.568763
C40 C 0.4977(13) 0.1407(5) 0.5975(8)
H40 H 0.470608 0.155767 0.601579
C41 C 0.9194(11) 0.1559(4) 0.6102(8)
C42 C 0.8820(11) 0.1334(4) 0.6115(7)
H42 H 0.873630 0.127946 0.640962
C43 C 0.8547(12) 0.1176(5) 0.5702(8)
H43 H 0.828445 0.102104 0.573059
C44 C 0.8654(13) 0.1241(5) 0.5269(9)
H44 H 0.847143 0.113371 0.499863
C45 C 0.9049(12) 0.1476(4) 0.5232(8)
H45 H 0.913628 0.152256 0.493388
C46 C 0.9311(12) 0.1640(4) 0.5632(7)
H46 H 0.955760 0.179797 0.560118
C47 C 0.9801(11) 0.2079(4) 0.6406(7)
C48 C 0.9151(12) 0.2249(4) 0.6241(8)
H48 H 0.868090 0.220106 0.627621
C49 C 0.9277(14) 0.2493(5) 0.6022(9)
H49 H 0.887739 0.260898 0.591294
C50 C 0.9973(13) 0.2565(5) 0.5966(8)
H50 H 1.004014 0.272519 0.581873
C51 C 1.0562(12) 0.2395(4) 0.6130(8)
H51 H 1.102741 0.244648 0.609209
C52 C 1.0512(13) 0.2145(5) 0.6355(8)
H52 H 1.092296 0.203410 0.645954
C53 C 1.0476(11) 0.1602(4) 0.6888(7)
C54 C 1.0812(12) 0.1628(4) 0.7379(8)
H54 H 1.057032 0.172625 0.757132
C55 C 1.1516(13) 0.1509(4) 0.7599(9)
H55 H 1.171799 0.152257 0.793179
C56 C 1.1895(12) 0.1373(4) 0.7309(8)
H56 H 1.235490 0.129238 0.744117
C57 C 1.1562(14) 0.1360(5) 0.6813(10)
H57 H 1.181496 0.127145 0.661471
C58 C 1.0897(13) 0.1469(5) 0.6607(9)
H58 H 1.070921 0.145702 0.627239
C59 C 1.0271(12) 0.2545(4) 0.7545(8)
C60 C 1.0729(12) 0.2332(5) 0.7784(8)
H60 H 1.055198 0.222408 0.799734
C61 C 1.1459(13) 0.2278(5) 0.7707(8)
H61 H 1.174245 0.212961 0.783429
C62 C 1.1696(13) 0.2468(5) 0.7427(8)
H62 H 1.218772 0.245665 0.740156
C63 C 1.1268(13) 0.2671(5) 0.7185(9)
H63 H 1.146216 0.278432 0.698933
C64 C 1.0506(11) 0.2709(4) 0.7234(7)
H64 H 1.019689 0.284052 0.705970
C65 C 0.8970(12) 0.2874(4) 0.7395(8)
C66 C 0.8951(12) 0.3138(4) 0.7566(8)
H66 H 0.919142 0.317943 0.788569
C67 C 0.8576(13) 0.3334(5) 0.7259(8)
H67 H 0.854969 0.350662 0.737307
C68 C 0.8246(11) 0.3273(4) 0.6787(8)
H68 H 0.800023 0.340792 0.658510
C69 C 0.8256(13) 0.3029(5) 0.6598(9)
H69 H 0.804330 0.299888 0.627019
C70 C 0.8575(12) 0.2829(5) 0.6888(8)
H70 H 0.854529 0.265720 0.676334
C71 C 0.9817(12) 0.2733(4) 0.8353(8)
C72 C 0.9489(14) 0.2672(5) 0.8710(9)
H72 H 0.906532 0.256467 0.864178
C73 C 0.9773(14) 0.2769(5) 0.9195(9)
H73 H 0.953640 0.272853 0.943920
C74 C 1.0408(14) 0.2924(5) 0.9286(9)
H74 H 1.058463 0.299773 0.959328
C75 C 1.0788(14) 0.2971(5) 0.8936(9)
H75 H 1.124303 0.306116 0.900870
C76 C 1.0470(12) 0.2881(4) 0.8470(8)
H76 H 1.070468 0.292150 0.822505
C77 C 0.6022(11) 0.2831(4) 0.7116(7)
C78 C 0.6438(12) 0.2827(4) 0.6777(8)
H78 H 0.689968 0.274139 0.684914
C79 C 0.6179(15) 0.2948(5) 0.6330(10)
H79 H 0.648199 0.295659 0.611325
C80 C 0.5480(14) 0.3054(5) 0.6208(9)
H80 H 0.531172 0.313037 0.590242
C81 C 0.5035(13) 0.3055(5) 0.6499(8)
H81 H 0.454847 0.311921 0.639791
C82 C 0.5326(12) 0.2952(4) 0.6989(8)
H82 H 0.504369 0.296751 0.721649
C83 C 0.6997(12) 0.2958(4) 0.8034(8)
C84 C 0.6985(13) 0.3212(5) 0.7882(9)
H84 H 0.666082 0.325603 0.758599
C85 C 0.7394(15) 0.3396(6) 0.8122(10)
H85 H 0.735250 0.356901 0.800219
C86 C 0.7867(18) 0.3343(7) 0.8534(12)
H86 H 0.815198 0.348075 0.870389
C87 C 0.797(2) 0.3084(7) 0.8731(14)
H87A H 0.793193 0.309521 0.906563
H87B H 0.847043 0.302773 0.873737
C88 C 0.745(2) 0.2873(8) 0.8493(14)
H88A H 0.774152 0.271788 0.844481
H88B H 0.713461 0.282056 0.870188
C89 C 0.5613(11) 0.2669(4) 0.7995(6)
C90 C 0.5091(11) 0.2471(4) 0.7852(7)
H90 H 0.515014 0.234771 0.761990
C91 C 0.4466(14) 0.2453(5) 0.8052(9)
H91 H 0.409962 0.232408 0.794455
C92 C 0.4415(13) 0.2631(5) 0.8414(8)
H92 H 0.401453 0.261513 0.855586
C93 C 0.4909(13) 0.2824(5) 0.8567(8)
H93 H 0.486308 0.294064 0.881292
C94 C 0.5505(13) 0.2846(4) 0.8343(8)
H94 H 0.584127 0.298571 0.843252
C95 C 0.4819(13) 0.1809(4) 0.8439(8)
C96 C 0.4578(11) 0.1745(4) 0.7952(7)
H96 H 0.493012 0.169590 0.778442
C97 C 0.3857(12) 0.1752(4) 0.7716(8)
H97 H 0.370877 0.171034 0.738710
C98 C 0.3306(14) 0.1824(5) 0.7981(9)
H98 H 0.280026 0.183280 0.782522
C99 C 0.3553(11) 0.1879(4) 0.8463(8)
H99 H 0.321079 0.192182 0.864281
C100 C 0.4304(12) 0.1870(4) 0.8687(9)
H100 H 0.446168 0.190786 0.901684
C101 C 0.5975(11) 0.1473(4) 0.9022(8)
C102 C 0.6566(11) 0.1442(4) 0.9405(7)
H102 H 0.685511 0.158804 0.953987
C104 C 0.6333(11) 0.0970(4) 0.9386(7)
H104 H 0.648078 0.080023 0.950114
C105 C 0.5726(14) 0.1000(5) 0.9016(9)
H105 H 0.543610 0.085433 0.888336
C106 C 0.5537(12) 0.1261(4) 0.8832(8)
H106 H 0.511203 0.128809 0.858047
C1C C 1.0913(13) 0.2236(5) 0.9969(9)
H1C H 1.099610 0.232636 1.026302
C1F C 1.1290(13) 0.2094(5) 0.9269(9)
H1F H 1.164552 0.209117 0.908770
C1G C 0.6303(13) 0.2493(5) 0.9478(8)
H1G H 0.649093 0.265891 0.942471
C1H C 0.5791(11) 0.1991(4) 0.9643(7)
H1H H 0.563104 0.182124 0.970056
C1I C 0.4674(13) 0.2399(5) 0.5545(9)
H1I H 0.461408 0.249518 0.525826
C1J C 0.5850(13) 0.2192(5) 1.0002(9)
H1J H 0.571984 0.215508 1.029057
C1K C 0.4301(14) 0.2292(5) 0.6260(9)
H1K H 0.399363 0.231508 0.647152
C1L C 0.6098(13) 0.2439(5) 0.9920(8)
H1L H 0.613412 0.257192 1.015173
C1M C 0.4186(16) 0.2434(6) 0.5848(10)
H1M H 0.379018 0.255343 0.576457
C1N C 1.1448(16) 0.2225(5) 0.9707(10)
H1N H 1.191080 0.230608 0.982587
Cl9 Cl 1.1788(9) 0.1647(3) 1.0491(6)
Cl10 Cl 1.2611(7) 0.1177(3) 1.0658(7)
C116 C 1.271(3) 0.1525(11) 1.0305(19)
Cl5 Cl -0.1389(6) 0.3874(2) 0.3581(5)
Cl6 Cl -0.1577(8) 0.3927(3) 0.4565(4)
C115 C -0.150(2) 0.3657(7) 0.4092(12)
H11A H -0.107101 0.354237 0.420830
H11B H -0.195088 0.354901 0.400061
Cl7 Cl 0.7845(5) 0.40380(17) 0.8900(3)
Cl8 Cl 0.8558(6) 0.4478(3) 0.9503(4)
C118 C 0.851(2) 0.4081(8) 0.9432(14)
H11C H 0.898519 0.400785 0.941132
H11D H 0.835687 0.399819 0.970077
Cl1 Cl 0.4340(4) 0.27921(14) 0.9772(2)
Cl2 Cl 0.3088(4) 0.24670(14) 0.9233(3)
C113 C 0.4015(14) 0.2472(5) 0.9600(9)
H11E H 0.403899 0.236677 0.988891
H11F H 0.434289 0.238982 0.942250
Cl13 Cl 1.2499(7) 0.2074(4) 0.6539(7)
Cl14 Cl 1.1820(17) 0.1911(6) 0.5576(9)
C117 C 1.266(4) 0.1841(12) 0.607(2)
Cl3 Cl -0.1851(4) 0.45342(14) 0.5216(2)
Cl4 Cl -0.2399(3) 0.46897(14) 0.6065(2)
C114 C -0.1793(15) 0.4488(6) 0.5868(9)
H11G H -0.190418 0.430347 0.592599
H11H H -0.128710 0.452490 0.605375
O3 O 1.3741(17) 0.1912(6) 1.0403(11)
O4 O 1.438(2) 0.1763(7) 0.9965(13)
C123 C 1.325(3) 0.1811(9) 0.9697(18)
C124 C 1.389(2) 0.1853(8) 1.0078(15)
O1 O 0.2304(14) 0.6089(9) 0.9719(11)
O2 O 0.3083(18) 0.6121(7) 0.9324(10)
C121 C 0.2171(18) 0.6339(6) 0.9149(11)
C122 C 0.2541(14) 0.6166(5) 0.9441(10)
Cl11 Cl 0.8420(16) 0.3128(6) 1.0041(10)
Cl15 Cl 0.668(2) 0.0126(6) 0.6245(8)
C120 C 0.636(3) 0.0329(12) 0.667(2)
Cl12 Cl 0.9316(10) 0.3491(4) 0.9694(6)
Cl16 Cl 0.5611(9) 0.0170(3) 0.5574(8)

#END
