data_a
_audit_creation_method 'SHELXL-2014/7'
_audit_creation_date	2016-10-28
_audit_update_record	2016-10-28
_chemical_formula_sum	'C52 H64 Cu4 N4 O12'
_chemical_formula_weight	1191.230
_refine_ls_R_factor_all	0.054
_cell_length_a	 8.5213(3)
_cell_length_b	12.9489(4)
_cell_length_c	13.3149(5)
_cell_angle_alpha	68.372(3)
_cell_angle_beta	82.029(4)
_cell_angle_gamma	89.978(4)
_cell_volume	1350.5(1)
_cell_formula_units_Z	1
_symmetry_int_tables_number	1
_symmetry_space_group_name_H-M	'P 1'
_symmetry_space_group_name_Hall	'P_1'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
C	?	1.200
H	?	1.200
Cu	?	1.200
N	?	1.200
O	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
C1 C  1.0297(10)  0.1479(7)  0.5509(7)  1.000 1 a ? d Uani  0.0388(18)
C2 C  1.0674(10)  0.0684(8)  0.5041(7)  1.000 1 a ? d Uani  0.0419(19)
H2 H  1.0680 -0.0065  0.5480  1.000 1 a ? calc Uiso  0.05000
C3 C  1.1033(15)  0.1026(10)  0.3929(9)  1.000 1 a ? d Uani  0.067(3)
H3 H  1.1321  0.0508  0.3613  1.000 1 a ? calc Uiso  0.08100
C4 C  1.0973(17)  0.2149(11)  0.3260(9)  1.000 1 a ? d Uani  0.076(4)
H4 H  1.1223  0.2385  0.2504  1.000 1 a ? calc Uiso  0.09100
C5 C  1.0550(14)  0.2862(10)  0.3733(8)  1.000 1 a ? d Uani  0.058(3)
H5 H  1.0489  0.3603  0.3284  1.000 1 a ? calc Uiso  0.07000
C6 C  1.0199(10)  0.2590(7)  0.4830(6)  1.000 1 a ? d Uani  0.0382(18)
C7 C  0.9551(10)  0.3420(7)  0.5286(7)  1.000 1 a ? d Uani  0.0385(18)
H7A H  0.8433  0.3221  0.5558  1.000 1 a ? calc Uiso  0.04600
H7B H  0.9625  0.4139  0.4692  1.000 1 a ? calc Uiso  0.04600
C8 C  1.1736(10)  0.4319(7)  0.5823(6)  1.000 1 a ? d Uani  0.0356(16)
H8 H  1.2329  0.4238  0.5174  1.000 1 a ? calc Uiso  0.04300
C9 C  1.1288(11)  0.5530(7)  0.5502(8)  1.000 1 a ? d Uani  0.043(2)
H9A H  1.0924  0.5657  0.6168  1.000 1 a ? calc Uiso  0.05200
H9B H  1.0394  0.5623  0.5104  1.000 1 a ? calc Uiso  0.05200
C10 C  1.2566(12)  0.6443(8)  0.4811(9)  1.000 1 a ? d Uani  0.063(3)
H10 H  1.3523  0.6292  0.5162  1.000 1 a ? calc Uiso  0.07600
C11 C  1.299(2)  0.6413(13)  0.3645(11)  1.000 1 a ? d Uani  0.113(6)
H11A H  1.2033  0.6433  0.3332  1.000 1 a ? calc Uiso  0.16900
H11B H  1.3506  0.5741  0.3693  1.000 1 a ? calc Uiso  0.16900
H11C H  1.3683  0.7044  0.3192  1.000 1 a ? calc Uiso  0.16900
C12 C  1.2041(17)  0.7579(9)  0.4765(14)  1.000 1 a ? d Uani  0.096(5)
H12A H  1.1121  0.7755  0.4404  1.000 1 a ? calc Uiso  0.14400
H12B H  1.2883  0.8130  0.4368  1.000 1 a ? calc Uiso  0.14400
H12C H  1.1787  0.7568  0.5494  1.000 1 a ? calc Uiso  0.14400
C13 C  1.2777(9)  0.3975(6)  0.6708(7)  1.000 1 a ? d Uani  0.0362(17)
C14 C  1.1101(9)  0.0382(7)  0.9470(6)  1.000 1 a ? d Uani  0.0330(16)
C15 C  1.0992(9)  0.1158(7)  0.9959(7)  1.000 1 a ? d Uani  0.0374(17)
H15 H  1.0919  0.1904  0.9534  1.000 1 a ? calc Uiso  0.04500
C16 C  1.0990(12)  0.0844(8)  1.1067(7)  1.000 1 a ? d Uani  0.054(2)
H16 H  1.0853  0.1370  1.1390  1.000 1 a ? calc Uiso  0.06400
C17 C  1.1193(15) -0.0256(9)  1.1698(7)  1.000 1 a ? d Uani  0.065(3)
H17 H  1.1277 -0.0462  1.2435  1.000 1 a ? calc Uiso  0.07800
C18 C  1.1267(13) -0.1025(8)  1.1235(7)  1.000 1 a ? d Uani  0.052(2)
H18 H  1.1298 -0.1770  1.1678  1.000 1 a ? calc Uiso  0.06300
C19 C  1.130(1) -0.0741(7)  1.0107(7)  1.000 1 a ? d Uani  0.0374(17)
C20 C  1.1409(11) -0.1633(7)  0.9654(7)  1.000 1 a ? d Uani  0.0401(19)
H20A H  1.1423 -0.2354  1.0235  1.000 1 a ? calc Uiso  0.04800
H20B H  1.2374 -0.1515  0.9136  1.000 1 a ? calc Uiso  0.04800
C21 C  0.969(1) -0.2564(6)  0.8769(7)  1.000 1 a ? d Uani  0.0362(17)
H21 H  1.0689 -0.2684  0.8375  1.000 1 a ? calc Uiso  0.04300
C22 C  0.9180(11) -0.3651(7)  0.9730(7)  1.000 1 a ? d Uani  0.0431(19)
H22A H  0.9764 -0.3680  1.0315  1.000 1 a ? calc Uiso  0.05200
H22B H  0.8065 -0.3623  0.9990  1.000 1 a ? calc Uiso  0.05200
C23 C  0.939(2) -0.4701(9)  0.9543(10)  1.000 1 a ? d Uani  0.099(6)
C24 C  0.9934(16) -0.4815(11)  0.8635(11)  1.000 1 a ? d Uani  0.076(3)
H24A H  1.0246 -0.4190  0.8007  1.000 1 a ? calc Uiso  0.09100
H24B H  1.0014 -0.5522  0.8611  1.000 1 a ? calc Uiso  0.09100
C25 C  0.922(2) -0.5651(11)  1.0628(13)  1.000 1 a ? d Uani  0.096(5)
H25A H  0.8844 -0.6313  1.0550  1.000 1 a ? calc Uiso  0.14500
H25B H  0.8468 -0.5479  1.1146  1.000 1 a ? calc Uiso  0.14500
H25C H  1.0226 -0.5768  1.0883  1.000 1 a ? calc Uiso  0.14500
C26 C  0.8528(9) -0.2121(6)  0.7925(6)  1.000 1 a ? d Uani  0.0345(16)
C27 C  0.4513(10)  0.5389(7)  0.9424(7)  1.000 1 a ? d Uani  0.0377(18)
C28 C  0.4740(11)  0.6208(8)  0.9849(7)  1.000 1 a ? d Uani  0.044(2)
H28 H  0.4962  0.6944  0.9377  1.000 1 a ? calc Uiso  0.05300
C29 C  0.4638(14)  0.5938(10)  1.0953(9)  1.000 1 a ? d Uani  0.065(3)
H29 H  0.4720  0.6501  1.1223  1.000 1 a ? calc Uiso  0.07900
C30 C  0.4416(16)  0.4849(10)  1.1667(8)  1.000 1 a ? d Uani  0.070(3)
H30 H  0.4446  0.4661  1.2409  1.000 1 a ? calc Uiso  0.08400
C31 C  0.4147(13)  0.4045(9)  1.1255(8)  1.000 1 a ? d Uani  0.059(3)
H31 H  0.3952  0.3312  1.1741  1.000 1 a ? calc Uiso  0.07000
C32 C  0.4152(10)  0.4274(7)  1.0135(7)  1.000 1 a ? d Uani  0.0416(19)
C33 C  0.3639(10)  0.3388(7)  0.9744(7)  1.000 1 a ? d Uani  0.0401(19)
H33A H  0.3475  0.2685  1.0361  1.000 1 a ? calc Uiso  0.04800
H33B H  0.2628  0.3572  0.9485  1.000 1 a ? calc Uiso  0.04800
C34 C  0.6039(10)  0.2500(7)  0.9229(8)  1.000 1 a ? d Uani  0.049(2)
H34 H  0.6346  0.2635  0.9854  1.000 1 a ? calc Uiso  0.05900
C35 C  0.5466(12)  0.1279(8)  0.9648(10)  1.000 1 a ? d Uani  0.056(3)
H35A H  0.5482  0.1052  0.9030  1.000 1 a ? calc Uiso  0.06800
H35B H  0.4374  0.1204  1.0001  1.000 1 a ? calc Uiso  0.06800
C36 C  0.6477(14)  0.0474(10)  1.0475(12)  1.000 1 a ? d Uani  0.084(4)
H36 H  0.7610  0.0681  1.0221  1.000 1 a ? calc Uiso  0.10100
C37 C  0.6070(19) -0.0738(10)  1.0456(16)  1.000 1 a ? d Uani  0.12300
H37A H  0.5162 -0.1087  1.0992  1.000 1 a ? calc Uiso  0.18400
H37B H  0.6963 -0.1191  1.0619  1.000 1 a ? calc Uiso  0.18400
H37C H  0.5844 -0.0656  0.9745  1.000 1 a ? calc Uiso  0.18400
C38 C  0.598(2)  0.0604(15)  1.1591(11)  1.000 1 a ? d Uani  0.113(6)
H38A H  0.5452  0.1284  1.1475  1.000 1 a ? calc Uiso  0.17000
H38B H  0.6911  0.0623  1.1920  1.000 1 a ? calc Uiso  0.17000
H38C H  0.5279 -0.0014  1.2066  1.000 1 a ? calc Uiso  0.17000
C39 C  0.7455(8)  0.2848(6)  0.8352(7)  1.000 1 a ? d Uani  0.0360(17)
C40 C  0.6911(9)  0.6321(6)  0.5445(6)  1.000 1 a ? d Uani  0.0324(15)
C41 C  0.6915(10)  0.5537(7)  0.4996(7)  1.000 1 a ? d Uani  0.0405(18)
H41 H  0.6604  0.4806  0.5447  1.000 1 a ? calc Uiso  0.04900
C42 C  0.7374(12)  0.5792(8)  0.3867(7)  1.000 1 a ? d Uani  0.052(2)
H42 H  0.7368  0.5237  0.3580  1.000 1 a ? calc Uiso  0.06200
C43 C  0.7836(12)  0.6889(9)  0.3189(7)  1.000 1 a ? d Uani  0.056(2)
H43 H  0.8151  0.7077  0.2443  1.000 1 a ? calc Uiso  0.06700
C44 C  0.7820(11)  0.7677(8)  0.3634(7)  1.000 1 a ? d Uani  0.050(2)
H44 H  0.8122  0.8407  0.3176  1.000 1 a ? calc Uiso  0.06000
C45 C  0.7362(9)  0.7441(6)  0.4770(7)  1.000 1 a ? d Uani  0.0357(16)
C46 C  0.7293(10)  0.8347(7)  0.5211(7)  1.000 1 a ? d Uani  0.0383(18)
H46A H  0.8050  0.8233  0.5718  1.000 1 a ? calc Uiso  0.04600
H46B H  0.7564  0.9060  0.4619  1.000 1 a ? calc Uiso  0.04600
C47 C  0.5285(10)  0.9326(7)  0.6093(7)  1.000 1 a ? d Uani  0.0394(18)
H47 H  0.6135  0.9453  0.6467  1.000 1 a ? calc Uiso  0.04700
C48 C  0.5140(11)  1.0418(7)  0.5110(8)  1.000 1 a ? d Uani  0.045(2)
H48A H  0.5899  1.0433  0.4490  1.000 1 a ? calc Uiso  0.05400
H48B H  0.4087  1.0419  0.4912  1.000 1 a ? calc Uiso  0.05400
C49 C  0.5426(19)  1.1459(8)  0.5338(11)  1.000 1 a ? d Uani  0.083(4)
C50 C  0.5425(16)  1.1593(10)  0.6291(12)  1.000 1 a ? d Uani  0.084(4)
H50A H  0.5225  1.0983  0.6945  1.000 1 a ? calc Uiso  0.10000
H50B H  0.5624  1.2297  0.6296  1.000 1 a ? calc Uiso  0.10000
C51 C  0.568(2)  1.2450(11)  0.4226(14)  1.000 1 a ? d Uani  0.10900
H51A H  0.4691  1.2588  0.3941  1.000 1 a ? calc Uiso  0.16400
H51B H  0.6449  1.2276  0.3723  1.000 1 a ? calc Uiso  0.16400
H51C H  0.6049  1.3101  0.4326  1.000 1 a ? calc Uiso  0.16400
C52 C  0.3763(9)  0.8957(7)  0.6929(7)  1.000 1 a ? d Uani  0.0365(17)
Cu1 Cu  1.0727(1)  0.2135(1)  0.7321(1)  1.000 1 a ? d Uani  0.03119(16)
Cu2 Cu  1.0169(1) -0.0254(1)  0.7732(1)  1.000 1 a ? d Uani  0.0333(2)
Cu3 Cu  0.5648(1)  0.4639(1)  0.7654(1)  1.000 1 a ? d Uani  0.03119(16)
Cu4 Cu  0.5278(1)  0.7038(1)  0.7149(1)  1.000 1 a ? d Uani  0.0333(2)
N1 N  1.0318(8)  0.3548(5)  0.6181(5)  1.000 1 a ? d Uani  0.0312(13)
H1 H  0.9528  0.3890  0.6551  1.000 1 a ? calc Uiso  0.03700
N2 N  1.0000(8) -0.1588(6)  0.9102(6)  1.000 1 a ? d Uani  0.0337(14)
H2A H  0.9063 -0.1533  0.9593  1.000 1 a ? calc Uiso  0.04000
N3 N  0.4773(8)  0.3237(6)  0.8860(6)  1.000 1 a ? d Uani  0.0357(15)
H3A H  0.4142  0.2860  0.8521  1.000 1 a ? calc Uiso  0.04300
N4 N  0.5689(8)  0.8338(5)  0.5770(6)  1.000 1 a ? d Uani  0.0347(15)
H4A H  0.4936  0.8281  0.5297  1.000 1 a ? calc Uiso  0.04200
O1 O  0.9930(7)  0.1178(4)  0.6605(4)  1.000 1 a ? d Uani  0.0318(11)
O2 O  1.3906(8)  0.4591(6)  0.6616(6)  1.000 1 a ? d Uani  0.062(2)
O3 O  1.2413(7)  0.3034(4)  0.7518(4)  1.000 1 a ? d Uani  0.0381(13)
O4 O  1.1106(7)  0.0696(4)  0.8380(4)  1.000 1 a ? d Uani  0.0316(12)
O5 O  0.7507(7) -0.2770(5)  0.7885(5)  1.000 1 a ? d Uani  0.0442(14)
O6 O  0.8745(8) -0.1102(5)  0.7291(5)  1.000 1 a ? d Uani  0.0447(15)
O7 O  0.4578(7)  0.5618(5)  0.8350(4)  1.000 1 a ? d Uani  0.0329(12)
O8 O  0.8547(7)  0.2166(5)  0.8388(5)  1.000 1 a ? d Uani  0.0502(16)
O9 O  0.7408(7)  0.3715(4)  0.7512(4)  1.000 1 a ? d Uani  0.0374(12)
O10 O  0.6474(7)  0.6073(4)  0.6504(4)  1.000 1 a ? d Uani  0.0340(12)
O11 O  0.2697(7)  0.9572(5)  0.6939(5)  1.000 1 a ? d Uani  0.0434(13)
O12 O  0.3662(7)  0.7907(5)  0.7553(6)  1.000 1 a ? d Uani  0.0509(16)



loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 . .  1.3541(102) no
C1 C6 . .  1.3986(108) no
C1 C2 . .  1.4030(154) no
C2 C3 . .  1.3686(142) no
C2 H2 . .  0.9302(87) no
C3 C4 . .  1.4030(162) no
C3 H3 . .  0.9308(143) no
C4 C5 . .  1.3208(206) no
C4 H4 . .  0.9305(112) no
C5 C6 . .  1.3589(129) no
C5 H5 . .  0.9309(108) no
C6 C7 . .  1.4887(141) no
C7 N1 . .  1.4955(127) no
C7 H7A . .  0.9700(81) no
C7 H7B . .  0.9694(73) no
C8 N1 . .  1.4746(105) no
C8 C13 . .  1.5088(122) no
C8 C9 . .  1.5291(124) no
C8 H8 . .  0.9792(85) no
C9 C10 . .  1.5334(120) no
C9 H9A . .  0.9699(111) no
C9 H9B . .  0.9698(104) no
C10 C12 . .  1.5193(169) no
C10 C11 . .  1.5592(201) no
C10 H10 . .  0.9797(111) no
C11 H11A . .  0.9621(175) no
C11 H11B . .  0.9597(171) no
C11 H11C . .  0.9583(142) no
C12 H12A . .  0.9598(162) no
C12 H12B . .  0.9594(120) no
C12 H12C . .  0.9596(187) no
C13 O2 . .  1.2135(109) no
C13 O3 . .  1.2973(77) no
C14 O4 . .  1.3546(94) no
C14 C15 . .  1.3812(146) no
C14 C19 . .  1.4118(110) no
C15 C16 . .  1.3780(129) no
C15 H15 . .  0.9295(78) no
C16 C17 . .  1.3866(134) no
C16 H16 . .  0.9298(115) no
C17 C18 . .  1.3481(171) no
C17 H17 . .  0.9305(95) no
C18 C19 . .  1.4046(130) no
C18 H18 . .  0.9296(88) no
C19 C20 . .  1.4848(149) no
C20 N2 . .  1.4827(126) no
C20 H20A . .  0.9697(74) no
C20 H20B . .  0.9697(87) no
C21 N2 . .  1.5197(131) no
C21 C22 . .  1.5251(97) no
C21 C26 . .  1.5509(119) no
C21 H21 . .  0.9799(85) no
C22 C23 . .  1.4764(167) no
C22 H22A . .  0.9704(102) no
C22 H22B . .  0.9705(91) no
C23 C24 . .  1.2940(208) no
C23 C25 . .  1.5011(165) no
C24 H24A . .  0.9298(112) no
C24 H24B . .  0.9299(153) no
C25 H25A . .  0.9609(168) no
C25 H25B . .  0.9625(171) no
C25 H25C . .  0.9570(177) no
C26 O5 . .  1.2298(107) no
C26 O6 . .  1.2742(85) no
C27 O7 . .  1.3422(107) no
C27 C28 . .  1.3983(158) no
C27 C32 . .  1.4098(107) no
C28 C29 . .  1.3698(150) no
C28 H28 . .  0.9299(85) no
C29 C30 . .  1.3748(149) no
C29 H29 . .  0.9305(146) no
C30 C31 . .  1.3760(194) no
C30 H30 . .  0.9304(107) no
C31 C32 . .  1.4086(143) no
C31 H31 . .  0.9299(95) no
C32 C33 . .  1.5107(149) no
C33 N3 . .  1.4871(120) no
C33 H33A . .  0.9696(72) no
C33 H33B . .  0.9693(88) no
C34 N3 . .  1.4548(110) no
C34 C39 . .  1.4981(110) no
C34 C35 . .  1.5245(130) no
C34 H34 . .  0.9794(116) no
C35 C36 . .  1.5677(165) no
C35 H35A . .  0.9690(143) no
C35 H35B . .  0.9702(101) no
C36 C38 . .  1.5574(235) no
C36 C37 . .  1.6174(213) no
C36 H36 . .  0.9804(115) no
C37 H37A . .  0.9600(152) no
C37 H37B . .  0.9601(152) no
C37 H37C . .  0.9597(217) no
C38 H38A . .  0.9593(187) no
C38 H38B . .  0.9624(177) no
C38 H38C . .  0.9590(151) no
C39 O9 . .  1.2648(81) no
C39 O8 . .  1.2762(96) no
C40 O10 . .  1.3231(92) no
C40 C41 . .  1.3546(140) no
C40 C45 . .  1.4151(93) no
C41 C42 . .  1.4117(127) no
C41 H41 . .  0.9294(76) no
C42 C43 . .  1.3944(129) no
C42 H42 . .  0.9303(116) no
C43 C44 . .  1.3549(171) no
C43 H43 . .  0.9305(89) no
C44 C45 . .  1.4245(128) no
C44 H44 . .  0.9292(85) no
C45 C46 . .  1.4909(143) no
C46 N4 . .  1.4607(107) no
C46 H46A . .  0.9700(95) no
C46 H46B . .  0.9697(72) no
C47 N4 . .  1.5180(128) no
C47 C52 . .  1.5354(107) no
C47 C48 . .  1.5519(109) no
C47 H47 . .  0.9799(99) no
C48 C49 . .  1.5136(170) no
C48 H48A . .  0.9697(99) no
C48 H48B . .  0.9695(100) no
C49 C50 . .  1.3425(231) no
C49 C51 . .  1.5481(172) no
C50 H50A . .  0.9291(116) no
C50 H50B . .  0.9299(144) no
C51 H51A . .  0.9616(179) no
C51 H51B . .  0.9582(178) no
C51 H51C . .  0.9601(173) no
C52 O11 . .  1.2097(105) no
C52 O12 . .  1.3015(95) no
Cu1 O4 . .  1.9373(45) no
Cu1 O3 . .  1.9547(62) no
Cu1 N1 . .  1.9679(56) no
Cu1 O1 . .  1.9886(64) no
Cu1 O8 . .  2.1866(61) no
Cu1 Cu2 . .  2.9617(13) no
Cu2 O6 . .  1.9230(76) no
Cu2 O1 . .  1.9402(44) no
Cu2 O4 . .  1.9668(64) no
Cu2 N2 . .  1.9842(63) no
Cu2 O11 . 1_645  2.3132(60) no
Cu3 O9 . .  1.9505(58) no
Cu3 O10 . .  1.9731(43) no
Cu3 O7 . .  1.9816(68) no
Cu3 N3 . .  1.9878(62) no
Cu3 O2 . 1_455  2.1795(82) no
Cu3 Cu4 . .  2.9526(13) no
Cu4 O12 . .  1.9214(69) no
Cu4 O7 . .  1.9655(49) no
Cu4 N4 . .  1.9675(58) no
Cu4 O10 . .  1.971(6) no
Cu4 O5 . 1_565  2.3076(68) no
N1 H1 . .  0.9801(70) no
N2 H2A . .  0.9795(72) no
N3 H3A . .  0.9804(88) no
N4 H4A . .  0.9799(82) no
O2 Cu3 . 1_655  2.1795(82) no
O5 Cu4 . 1_545  2.3076(68) no
O11 Cu2 . 1_465  2.3132(60) no
C4 Cu4 . 1_645  8.0037(126) no
C4 C18 . 1_455 11.8975(146) no
C4 C16 . 1_455 12.0753(153) no
C1 C17 . 1_455 10.0883(131) no
C1 C28 . 1_545  8.1094(109) no
C28 C41 . 1_565 11.4136(119) no
C12 C37 . 1_745 25.5991(181) no
C2 C18 . 1_455 10.2662(125) no
C7 C35 . .  6.0055(132) no

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 C6 . . . 119.35(73) no
O1 C1 C2 . . . 121.08(77) no
C6 C1 C2 . . . 119.45(89) no
C3 C2 C1 . . . 119.06(90) no
C3 C2 H2 . . . 120.44(94) no
C1 C2 H2 . . . 120.50(105) no
C2 C3 C4 . . . 120.73(101) no
C2 C3 H3 . . . 119.64(112) no
C4 C3 H3 . . . 119.63(135) no
C5 C4 C3 . . . 118.15(133) no
C5 C4 H4 . . . 120.91(119) no
C3 C4 H4 . . . 120.94(113) no
C4 C5 C6 . . . 124.58(101) no
C4 C5 H5 . . . 117.76(136) no
C6 C5 H5 . . . 117.66(96) no
C5 C6 C1 . . . 117.92(79) no
C5 C6 C7 . . . 120.81(81) no
C1 C6 C7 . . . 120.89(84) no
C6 C7 N1 . . . 117.09(72) no
C6 C7 H7A . . . 108.01(78) no
N1 C7 H7A . . . 108.05(74) no
C6 C7 H7B . . . 108.02(84) no
N1 C7 H7B . . . 107.98(73) no
H7A C7 H7B . . . 107.31(84) no
N1 C8 C13 . . . 108.78(67) no
N1 C8 C9 . . . 111.58(73) no
C13 C8 C9 . . . 113.07(71) no
N1 C8 H8 . . . 107.75(68) no
C13 C8 H8 . . . 107.77(67) no
C9 C8 H8 . . . 107.69(81) no
C8 C9 C10 . . . 117.92(82) no
C8 C9 H9A . . . 107.87(84) no
C10 C9 H9A . . . 107.82(87) no
C8 C9 H9B . . . 107.81(83) no
C10 C9 H9B . . . 107.80(85) no
H9A C9 H9B . . . 107.16(93) no
C12 C10 C9 . . . 110.89(95) no
C12 C10 C11 . . . 111.57(110) no
C9 C10 C11 . . . 110.37(93) no
C12 C10 H10 . . . 107.95(102) no
C9 C10 H10 . . . 107.98(90) no
C11 C10 H10 . . . 107.93(102) no
C10 C11 H11A . . . 109.36(121) no
C10 C11 H11B . . . 109.47(132) no
H11A C11 H11B . . . 109.34(164) no
C10 C11 H11C . . . 109.62(117) no
H11A C11 H11C . . . 109.41(168) no
H11B C11 H11C . . . 109.62(164) no
C10 C12 H12A . . . 109.45(122) no
C10 C12 H12B . . . 109.44(119) no
H12A C12 H12B . . . 109.48(142) no
C10 C12 H12C . . . 109.41(122) no
H12A C12 H12C . . . 109.48(159) no
H12B C12 H12C . . . 109.55(161) no
O2 C13 O3 . . . 124.06(80) no
O2 C13 C8 . . . 118.10(75) no
O3 C13 C8 . . . 117.83(70) no
O4 C14 C15 . . . 120.79(71) no
O4 C14 C19 . . . 119.79(68) no
C15 C14 C19 . . . 119.33(87) no
C16 C15 C14 . . . 121.05(82) no
C16 C15 H15 . . . 119.46(87) no
C14 C15 H15 . . . 119.48(95) no
C15 C16 C17 . . . 119.92(82) no
C15 C16 H16 . . . 119.95(90) no
C17 C16 H16 . . . 120.13(110) no
C18 C17 C16 . . . 119.45(109) no
C18 C17 H17 . . . 120.25(95) no
C16 C17 H17 . . . 120.3(9) no
C17 C18 C19 . . . 122.37(86) no
C17 C18 H18 . . . 118.83(110) no
C19 C18 H18 . . . 118.81(86) no
C18 C19 C14 . . . 117.51(78) no
C18 C19 C20 . . . 119.27(80) no
C14 C19 C20 . . . 123.03(86) no
C19 C20 N2 . . . 107.34(74) no
C19 C20 H20A . . . 110.32(86) no
N2 C20 H20A . . . 110.24(78) no
C19 C20 H20B . . . 110.22(82) no
N2 C20 H20B . . . 110.21(81) no
H20A C20 H20B . . . 108.52(84) no
N2 C21 C22 . . . 113.94(71) no
N2 C21 C26 . . . 103.92(64) no
C22 C21 C26 . . . 116.87(70) no
N2 C21 H21 . . . 107.20(72) no
C22 C21 H21 . . . 107.18(75) no
C26 C21 H21 . . . 107.20(73) no
C23 C22 C21 . . . 117.86(85) no
C23 C22 H22A . . . 107.84(91) no
C21 C22 H22A . . . 107.81(76) no
C23 C22 H22B . . . 107.90(97) no
C21 C22 H22B . . . 107.84(78) no
H22A C22 H22B . . . 107.14(89) no
C24 C23 C22 . . . 127.31(120) no
C24 C23 C25 . . . 122.57(123) no
C22 C23 C25 . . . 108.87(105) no
C23 C24 H24A . . . 119.99(136) no
C23 C24 H24B . . . 119.99(146) no
H24A C24 H24B . . . 120.02(158) no
C23 C25 H25A . . . 109.42(136) no
C23 C25 H25B . . . 109.37(138) no
H25A C25 H25B . . . 109.25(152) no
C23 C25 H25C . . . 109.63(144) no
H25A C25 H25C . . . 109.65(162) no
H25B C25 H25C . . . 109.51(165) no
O5 C26 O6 . . . 124.57(79) no
O5 C26 C21 . . . 118.81(70) no
O6 C26 C21 . . . 116.57(68) no
O7 C27 C28 . . . 122.74(79) no
O7 C27 C32 . . . 117.25(75) no
C28 C27 C32 . . . 119.98(90) no
C29 C28 C27 . . . 120.72(91) no
C29 C28 H28 . . . 119.65(93) no
C27 C28 H28 . . . 119.63(104) no
C28 C29 C30 . . . 121.02(99) no
C28 C29 H29 . . . 119.42(113) no
C30 C29 H29 . . . 119.56(134) no
C29 C30 C31 . . . 118.22(122) no
C29 C30 H30 . . . 120.87(103) no
C31 C30 H30 . . . 120.91(108) no
C30 C31 C32 . . . 123.43(96) no
C30 C31 H31 . . . 118.32(121) no
C32 C31 H31 . . . 118.25(95) no
C27 C32 C31 . . . 116.31(81) no
C27 C32 C33 . . . 122.36(85) no
C31 C32 C33 . . . 121.07(83) no
N3 C33 C32 . . . 115.05(75) no
N3 C33 H33A . . . 108.43(75) no
C32 C33 H33A . . . 108.53(84) no
N3 C33 H33B . . . 108.49(75) no
C32 C33 H33B . . . 108.57(78) no
H33A C33 H33B . . . 107.53(84) no
N3 C34 C39 . . . 108.67(68) no
N3 C34 C35 . . . 111.79(81) no
C39 C34 C35 . . . 116.2(8) no
N3 C34 H34 . . . 106.53(78) no
C39 C34 H34 . . . 106.53(83) no
C35 C34 H34 . . . 106.54(87) no
C34 C35 C36 . . . 114.14(96) no
C34 C35 H35A . . . 108.75(98) no
C36 C35 H35A . . . 108.72(106) no
C34 C35 H35B . . . 108.65(94) no
C36 C35 H35B . . . 108.73(94) no
H35A C35 H35B . . . 107.66(110) no
C38 C36 C35 . . . 106.82(110) no
C38 C36 C37 . . . 115.53(127) no
C35 C36 C37 . . . 104.29(108) no
C38 C36 H36 . . . 109.98(122) no
C35 C36 H36 . . . 109.99(104) no
C37 C36 H36 . . . 109.97(118) no
C36 C37 H37A . . . 109.56(134) no
C36 C37 H37B . . . 109.47(129) no
H37A C37 H37B . . . 109.47(162) no
C36 C37 H37C . . . 109.46(137) no
H37A C37 H37C . . . 109.43(189) no
H37B C37 H37C . . . 109.44(172) no
C36 C38 H38A . . . 109.47(146) no
C36 C38 H38B . . . 109.39(126) no
H38A C38 H38B . . . 109.37(165) no
C36 C38 H38C . . . 109.51(122) no
H38A C38 H38C . . . 109.66(175) no
H38B C38 H38C . . . 109.43(172) no
O9 C39 O8 . . . 121.47(74) no
O9 C39 C34 . . . 118.86(74) no
O8 C39 C34 . . . 118.56(68) no
O10 C40 C41 . . . 121.76(72) no
O10 C40 C45 . . . 118.54(68) no
C41 C40 C45 . . . 119.69(80) no
C40 C41 C42 . . . 122.28(82) no
C40 C41 H41 . . . 118.84(94) no
C42 C41 H41 . . . 118.88(85) no
C43 C42 C41 . . . 118.94(80) no
C43 C42 H42 . . . 120.54(109) no
C41 C42 H42 . . . 120.52(90) no
C44 C43 C42 . . . 118.94(107) no
C44 C43 H43 . . . 120.52(95) no
C42 C43 H43 . . . 120.55(88) no
C43 C44 C45 . . . 123.20(85) no
C43 C44 H44 . . . 118.42(109) no
C45 C44 H44 . . . 118.38(84) no
C40 C45 C44 . . . 116.96(75) no
C40 C45 C46 . . . 121.91(77) no
C44 C45 C46 . . . 121.08(78) no
N4 C46 C45 . . . 108.89(71) no
N4 C46 H46A . . . 109.90(75) no
C45 C46 H46A . . . 109.91(80) no
N4 C46 H46B . . . 109.97(76) no
C45 C46 H46B . . . 109.85(84) no
H46A C46 H46B . . . 108.31(83) no
N4 C47 C52 . . . 105.73(69) no
N4 C47 C48 . . . 113.80(75) no
C52 C47 C48 . . . 113.39(73) no
N4 C47 H47 . . . 107.85(78) no
C52 C47 H47 . . . 107.88(74) no
C48 C47 H47 . . . 107.93(76) no
C49 C48 C47 . . . 113.51(85) no
C49 C48 H48A . . . 108.89(93) no
C47 C48 H48A . . . 108.82(84) no
C49 C48 H48B . . . 108.88(96) no
C47 C48 H48B . . . 108.87(83) no
H48A C48 H48B . . . 107.70(91) no
C50 C49 C48 . . . 130.20(115) no
C50 C49 C51 . . . 122.37(130) no
C48 C49 C51 . . . 107.39(100) no
C49 C50 H50A . . . 120.03(145) no
C49 C50 H50B . . . 119.94(140) no
H50A C50 H50B . . . 120.03(153) no
C49 C51 H51A . . . 109.34(147) no
C49 C51 H51B . . . 109.54(147) no
H51A C51 H51B . . . 109.47(166) no
C49 C51 H51C . . . 109.46(137) no
H51A C51 H51C . . . 109.38(163) no
H51B C51 H51C . . . 109.64(157) no
O11 C52 O12 . . . 123.14(85) no
O11 C52 C47 . . . 122.35(74) no
O12 C52 C47 . . . 114.23(74) no
O4 Cu1 O3 . . . 99.39(23) no
O4 Cu1 N1 . . . 176.33(25) no
O3 Cu1 N1 . . . 83.38(25) no
O4 Cu1 O1 . . . 81.35(23) no
O3 Cu1 O1 . . . 151.41(24) no
N1 Cu1 O1 . . . 95.06(25) no
O4 Cu1 O8 . . . 88.98(24) no
O3 Cu1 O8 . . . 109.41(24) no
N1 Cu1 O8 . . . 92.38(26) no
O1 Cu1 O8 . . . 99.18(24) no
O4 Cu1 Cu2 . . . 41.03(16) no
O3 Cu1 Cu2 . . . 135.30(17) no
N1 Cu1 Cu2 . . . 135.44(20) no
O1 Cu1 Cu2 . . . 40.46(16) no
O8 Cu1 Cu2 . . . 92.73(18) no
O6 Cu2 O1 . . . 96.67(26) no
O6 Cu2 O4 . . . 164.98(27) no
O1 Cu2 O4 . . . 81.83(23) no
O6 Cu2 N2 . . . 84.85(29) no
O1 Cu2 N2 . . . 165.71(27) no
O4 Cu2 N2 . . . 93.01(27) no
O6 Cu2 O11 . . 1_645 106.57(26) no
O1 Cu2 O11 . . 1_645 93.65(24) no
O4 Cu2 O11 . . 1_645 88.45(24) no
N2 Cu2 O11 . . 1_645 99.55(26) no
O6 Cu2 Cu1 . . . 135.30(21) no
O1 Cu2 Cu1 . . . 41.69(16) no
O4 Cu2 Cu1 . . . 40.29(16) no
N2 Cu2 Cu1 . . . 130.96(24) no
O11 Cu2 Cu1 1_645 . . 94.05(17) no
O9 Cu3 O10 . . . 99.98(23) no
O9 Cu3 O7 . . . 149.75(25) no
O10 Cu3 O7 . . . 82.73(23) no
O9 Cu3 N3 . . . 82.25(27) no
O10 Cu3 N3 . . . 177.09(27) no
O7 Cu3 N3 . . . 94.40(28) no
O9 Cu3 O2 . . 1_455 111.01(25) no
O10 Cu3 O2 . . 1_455 87.01(26) no
O7 Cu3 O2 . . 1_455 99.20(27) no
N3 Cu3 O2 . . 1_455 93.94(29) no
O9 Cu3 Cu4 . . . 135.57(17) no
O10 Cu3 Cu4 . . . 41.50(16) no
O7 Cu3 Cu4 . . . 41.37(20) no
N3 Cu3 Cu4 . . . 135.67(24) no
O2 Cu3 Cu4 1_455 . . 91.49(22) no
O12 Cu4 O7 . . . 96.65(29) no
O12 Cu4 N4 . . . 84.35(30) no
O7 Cu4 N4 . . . 167.45(27) no
O12 Cu4 O10 . . . 163.66(26) no
O7 Cu4 O10 . . . 83.20(24) no
N4 Cu4 O10 . . . 92.33(26) no
O12 Cu4 O5 . . 1_565 108.38(24) no
O7 Cu4 O5 . . 1_565 92.56(24) no
N4 Cu4 O5 . . 1_565 99.01(26) no
O10 Cu4 O5 . . 1_565 87.93(24) no
O12 Cu4 Cu3 . . . 134.94(21) no
O7 Cu4 Cu3 . . . 41.78(18) no
N4 Cu4 Cu3 . . . 131.92(21) no
O10 Cu4 Cu3 . . . 41.56(16) no
O5 Cu4 Cu3 1_565 . . 93.01(17) no
C8 N1 C7 . . . 115.62(65) no
C8 N1 Cu1 . . . 110.56(49) no
C7 N1 Cu1 . . . 114.42(49) no
C8 N1 H1 . . . 105.07(62) no
C7 N1 H1 . . . 104.97(61) no
Cu1 N1 H1 . . . 105.00(49) no
C20 N2 C21 . . . 116.45(69) no
C20 N2 Cu2 . . . 110.90(53) no
C21 N2 Cu2 . . . 105.14(54) no
C20 N2 H2A . . . 108.03(66) no
C21 N2 H2A . . . 107.98(70) no
Cu2 N2 H2A . . . 108.03(53) no
C34 N3 C33 . . . 115.13(69) no
C34 N3 Cu3 . . . 110.50(58) no
C33 N3 Cu3 . . . 114.95(53) no
C34 N3 H3A . . . 105.03(66) no
C33 N3 H3A . . . 105.05(70) no
Cu3 N3 H3A . . . 104.96(56) no
C46 N4 C47 . . . 117.01(68) no
C46 N4 Cu4 . . . 110.61(53) no
C47 N4 Cu4 . . . 104.60(51) no
C46 N4 H4A . . . 108.10(65) no
C47 N4 H4A . . . 108.08(66) no
Cu4 N4 H4A . . . 108.11(53) no
C1 O1 Cu2 . . . 127.86(49) no
C1 O1 Cu1 . . . 119.38(50) no
Cu2 O1 Cu1 . . . 97.84(25) no
C13 O2 Cu3 . . 1_655 135.05(62) no
C13 O3 Cu1 . . . 114.06(50) no
C14 O4 Cu1 . . . 129.22(46) no
C14 O4 Cu2 . . . 122.65(47) no
Cu1 O4 Cu2 . . . 98.68(25) no
C26 O5 Cu4 . . 1_545 146.07(56) no
C26 O6 Cu2 . . . 113.97(57) no
C27 O7 Cu4 . . . 127.08(49) no
C27 O7 Cu3 . . . 121.23(51) no
Cu4 O7 Cu3 . . . 96.84(29) no
C39 O8 Cu1 . . . 135.38(53) no
C39 O9 Cu3 . . . 114.12(50) no
C40 O10 Cu4 . . . 124.93(47) no
C40 O10 Cu3 . . . 129.34(46) no
Cu4 O10 Cu3 . . . 96.94(24) no
C52 O11 Cu2 . . 1_465 146.14(58) no
C52 O12 Cu4 . . . 114.92(58) no
