CUF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	0.00Å	1.36Å
C1	C2	doub	0.00Å	1.39Å	Aromatic
C1	C6	sing	0.00Å	1.49Å	Aromatic
F1	C11	sing	0.00Å	1.35Å
N1	C7	doub	0.00Å	1.26Å
N1	C8	sing	0.00Å	1.40Å
C2	C3	sing	0.00Å	1.39Å	Aromatic
C2	H1	sing	0.00Å	1.08Å
F2	C10	sing	0.00Å	1.35Å
N2	C13	sing	0.00Å	1.41Å
N2	C14	doub	0.00Å	1.26Å
O2	C20	sing	0.00Å	1.37Å
C3	O3	sing	0.00Å	1.36Å
C3	C4	doub	0.00Å	1.39Å	Aromatic
N3	C22	sing	0.00Å	1.47Å
N3	C23	sing	0.00Å	1.48Å
N3	C27	sing	0.00Å	1.48Å
O3	C21	sing	0.00Å	1.43Å
C4	C5	sing	0.00Å	1.39Å	Aromatic
C4	H2	sing	0.00Å	1.08Å
N4	C29	sing	0.00Å	1.48Å
N4	C30	sing	0.00Å	1.48Å
N4	C34	sing	0.00Å	1.48Å
O4	C18	sing	0.00Å	1.37Å
O4	C28	sing	0.00Å	1.43Å
C5	C6	doub	0.00Å	1.39Å	Aromatic
C5	H3	sing	0.00Å	1.08Å
C6	C7	sing	0.00Å	1.48Å
C7	H4	sing	0.00Å	1.08Å
C8	C9	doub	0.00Å	1.38Å	Aromatic
C8	C13	sing	0.00Å	1.39Å	Aromatic
C9	C10	sing	0.00Å	1.39Å	Aromatic
C9	H5	sing	0.00Å	1.08Å
C10	C11	doub	0.00Å	1.40Å	Aromatic
C11	C12	sing	0.00Å	1.40Å	Aromatic
C12	C13	doub	0.00Å	1.39Å	Aromatic
C12	H6	sing	0.00Å	1.08Å
C14	C15	sing	0.00Å	1.49Å
C14	H7	sing	0.00Å	1.08Å
C15	C16	doub	0.00Å	1.39Å	Aromatic
C15	C20	sing	0.00Å	1.49Å	Aromatic
C16	C17	sing	0.00Å	1.39Å	Aromatic
C16	H8	sing	0.00Å	1.08Å
C17	C18	doub	0.00Å	1.39Å	Aromatic
C17	H9	sing	0.00Å	1.08Å
C18	C19	sing	0.00Å	1.39Å	Aromatic
C19	C20	doub	0.00Å	1.39Å	Aromatic
C19	H10	sing	0.00Å	1.08Å
C21	C22	sing	0.00Å	1.53Å
C21	H11	sing	0.00Å	1.10Å
C21	H12	sing	0.00Å	1.10Å
C22	H13	sing	0.00Å	1.10Å
C22	H14	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.53Å
C23	H15	sing	0.00Å	1.10Å
C23	H16	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.52Å
C24	H17	sing	0.00Å	1.10Å
C24	H18	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.51Å
C25	H19	sing	0.00Å	1.10Å
C25	H20	sing	0.00Å	1.10Å
C26	C27	sing	0.00Å	1.51Å
C26	H21	sing	0.00Å	1.10Å
C26	H22	sing	0.00Å	1.10Å
C27	H23	sing	0.00Å	1.10Å
C27	H24	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.53Å
C28	H25	sing	0.00Å	1.10Å
C28	H26	sing	0.00Å	1.10Å
C29	H27	sing	0.00Å	1.10Å
C29	H28	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.55Å
C30	H29	sing	0.00Å	1.10Å
C30	H30	sing	0.00Å	1.10Å
C31	C32	sing	0.00Å	1.53Å
C31	H31	sing	0.00Å	1.10Å
C31	H32	sing	0.00Å	1.10Å
C32	C33	sing	0.00Å	1.54Å
C32	H33	sing	0.00Å	1.10Å
C32	H34	sing	0.00Å	1.10Å
C33	C34	sing	0.00Å	1.55Å
C33	H35	sing	0.00Å	1.10Å
C33	H36	sing	0.00Å	1.10Å
C34	H37	sing	0.00Å	1.10Å
C34	H38	sing	0.00Å	1.10Å
O2	CU1	sing	0.00Å	2.00Å
O1	CU1	sing	0.00Å	2.00Å
N1	CU1	sing	0.00Å	1.98Å
N2	CU1	sing	0.00Å	2.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	118.3°	90.0°
O1	C1	C6	123.1°	90.0°
C1	O1	CU1	123.9°	90.0°
C2	C1	C6	118.5°	90.0°
C1	C2	C3	120.5°	90.0°
C1	C2	H1	119.8°	90.0°
C1	C6	C5	118.5°	90.0°
C1	C6	C7	124.0°	90.0°
F1	C11	C10	120.0°	90.0°
F1	C11	C12	120.1°	90.0°
C7	N1	C8	119.9°	90.0°
N1	C7	C6	126.4°	90.0°
N1	C7	H4	116.8°	90.0°
C7	N1	CU1	125.4°	90.0°
N1	C8	C9	122.0°	90.0°
N1	C8	C13	116.9°	90.0°
C8	N1	CU1	112.1°	90.0°
C3	C2	H1	119.7°	90.0°
C2	C3	O3	120.1°	90.0°
C2	C3	C4	121.0°	90.0°
F2	C10	C9	119.2°	90.0°
F2	C10	C11	120.5°	90.0°
C13	N2	C14	120.3°	90.0°
N2	C13	C8	116.1°	90.0°
N2	C13	C12	123.1°	90.0°
C13	N2	CU1	111.7°	90.0°
N2	C14	C15	126.0°	90.0°
N2	C14	H7	117.0°	90.0°
C14	N2	CU1	126.0°	90.0°
O2	C20	C15	123.5°	90.0°
O2	C20	C19	117.8°	90.0°
C20	O2	CU1	124.5°	90.0°
O3	C3	C4	118.8°	90.0°
C3	O3	C21	118.7°	90.0°
C3	C4	C5	120.7°	90.0°
C3	C4	H2	119.6°	90.0°
C22	N3	C23	109.4°	90.0°
C22	N3	C27	109.2°	90.0°
N3	C22	C21	109.4°	90.0°
N3	C22	H13	109.5°	90.0°
N3	C22	H14	109.5°	90.0°
C23	N3	C27	110.1°	90.0°
N3	C23	C24	109.9°	90.0°
N3	C23	H15	109.4°	90.0°
N3	C23	H16	109.4°	90.0°
N3	C27	C26	110.3°	90.0°
N3	C27	H23	109.2°	90.0°
N3	C27	H24	109.2°	90.0°
O3	C21	C22	109.8°	90.0°
O3	C21	H11	109.4°	90.0°
O3	C21	H12	109.4°	90.0°
C5	C4	H2	119.6°	90.0°
C4	C5	C6	120.8°	90.0°
C4	C5	H3	119.6°	90.0°
C29	N4	C30	109.2°	90.0°
C29	N4	C34	109.6°	90.0°
N4	C29	C28	107.6°	90.0°
N4	C29	H27	110.1°	90.0°
N4	C29	H28	110.1°	90.0°
C30	N4	C34	109.6°	90.0°
N4	C30	C31	110.4°	90.0°
N4	C30	H29	109.2°	90.0°
N4	C30	H30	109.1°	90.0°
N4	C34	C33	109.3°	90.0°
N4	C34	H37	109.5°	90.0°
N4	C34	H38	109.5°	90.0°
C18	O4	C28	120.1°	90.0°
O4	C18	C17	119.9°	90.0°
O4	C18	C19	119.6°	90.0°
O4	C28	C29	109.2°	90.0°
O4	C28	H25	109.6°	90.0°
O4	C28	H26	109.6°	90.0°
C6	C5	H3	119.6°	90.0°
C5	C6	C7	117.5°	90.0°
C6	C7	H4	116.8°	90.0°
C9	C8	C13	120.6°	90.0°
C8	C9	C10	119.4°	90.0°
C8	C9	H5	120.3°	90.0°
C8	C13	C12	120.6°	90.0°
C10	C9	H5	120.3°	90.0°
C9	C10	C11	120.3°	90.0°
C10	C11	C12	119.9°	90.0°
C11	C12	C13	119.1°	90.0°
C11	C12	H6	120.4°	90.0°
C13	C12	H6	120.5°	90.0°
C15	C14	H7	117.0°	90.0°
C14	C15	C16	117.9°	90.0°
C14	C15	C20	124.1°	90.0°
C16	C15	C20	118.1°	90.0°
C15	C16	C17	121.0°	90.0°
C15	C16	H8	119.5°	90.0°
C15	C20	C19	118.7°	90.0°
C17	C16	H8	119.5°	90.0°
C16	C17	C18	120.7°	90.0°
C16	C17	H9	119.6°	90.0°
C18	C17	H9	119.7°	90.0°
C17	C18	C19	120.5°	90.0°
C18	C19	C20	121.0°	90.0°
C18	C19	H10	119.5°	90.0°
C20	C19	H10	119.5°	90.0°
C22	C21	H11	109.4°	90.0°
C22	C21	H12	109.4°	90.0°
C21	C22	H13	109.5°	90.0°
C21	C22	H14	109.5°	90.0°
H11	C21	H12	109.6°	90.0°
H13	C22	H14	109.5°	90.0°
C24	C23	H15	109.4°	90.0°
C24	C23	H16	109.3°	90.0°
C23	C24	C25	109.5°	90.0°
C23	C24	H17	109.5°	90.0°
C23	C24	H18	109.5°	90.0°
H15	C23	H16	109.6°	90.0°
C25	C24	H17	109.5°	90.0°
C25	C24	H18	109.5°	90.0°
C24	C25	C26	110.6°	90.0°
C24	C25	H19	109.1°	90.0°
C24	C25	H20	109.1°	90.0°
H17	C24	H18	109.4°	90.0°
C26	C25	H19	109.1°	90.0°
C26	C25	H20	109.1°	90.0°
C25	C26	C27	110.7°	90.0°
C25	C26	H21	109.1°	90.0°
C25	C26	H22	109.0°	90.0°
H19	C25	H20	109.8°	90.0°
C27	C26	H21	109.0°	90.0°
C27	C26	H22	109.1°	90.0°
C26	C27	H23	109.2°	90.0°
C26	C27	H24	109.2°	90.0°
H21	C26	H22	109.9°	90.0°
H23	C27	H24	109.7°	90.0°
C29	C28	H25	109.5°	90.0°
C29	C28	H26	109.6°	90.0°
C28	C29	H27	110.1°	90.0°
C28	C29	H28	110.1°	90.0°
H25	C28	H26	109.4°	90.0°
H27	C29	H28	108.9°	90.0°
C31	C30	H29	109.1°	90.0°
C31	C30	H30	109.2°	90.0°
C30	C31	C32	111.0°	90.0°
C30	C31	H31	109.0°	90.0°
C30	C31	H32	109.0°	90.0°
H29	C30	H30	109.8°	90.0°
C32	C31	H31	109.0°	90.0°
C32	C31	H32	109.0°	90.0°
C31	C32	C33	110.1°	90.0°
C31	C32	H33	109.2°	90.0°
C31	C32	H34	109.2°	90.0°
H31	C31	H32	110.0°	90.0°
C33	C32	H33	109.2°	90.0°
C33	C32	H34	109.3°	90.0°
C32	C33	C34	111.9°	90.0°
C32	C33	H35	108.7°	90.0°
C32	C33	H36	108.7°	90.0°
H33	C32	H34	109.7°	90.0°
C34	C33	H35	108.6°	90.0°
C34	C33	H36	108.6°	90.0°
C33	C34	H37	109.6°	90.0°
C33	C34	H38	109.5°	90.0°
H35	C33	H36	110.3°	90.0°
H37	C34	H38	109.4°	90.0°
O2	CU1	O1	86.8°	90.0°
O2	CU1	N1	176.9°	90.0°
O2	CU1	N2	94.7°	90.0°
O1	CU1	N1	95.2°	90.0°
O1	CU1	N2	176.9°	90.0°
N1	CU1	N2	83.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C6	175.6°	90.0°
O1	C1	C2	C3	176.6°	90.0°
O1	C1	C2	H1	3.4°	90.0°
O1	C1	C6	C5	176.8°	90.0°
O1	C1	C6	C7	5.5°	90.0°
C1	O1	CU1	O2	165.8°	90.0°
C1	O1	CU1	N1	11.8°	90.0°
C1	O1	CU1	N2	46.6°	90.0°
C1	C2	C3	H1	180.0°	90.0°
C1	C2	C3	O3	179.3°	90.0°
C1	C2	C3	C4	0.1°	90.0°
C2	C1	C6	C5	1.4°	90.0°
C2	C1	C6	C7	179.1°	90.0°
C2	C1	O1	CU1	175.0°	90.0°
C1	C6	C7	N1	8.2°	90.0°
C6	C1	C2	C3	1.0°	90.0°
C6	C1	C2	H1	179.0°	90.0°
C1	C6	C5	C4	0.8°	90.0°
C1	C6	C5	C7	177.8°	90.0°
C1	C6	C5	H3	179.2°	90.0°
C1	C6	C7	H4	171.8°	90.0°
C6	C1	O1	CU1	9.7°	90.0°
F1	C11	C10	F2	0.4°	90.0°
F1	C11	C10	C9	179.9°	90.0°
F1	C11	C10	C12	179.7°	90.0°
F1	C11	C12	C13	177.9°	90.0°
F1	C11	C12	H6	2.1°	90.0°
C7	N1	C8	CU1	162.7°	90.0°
N1	C7	C6	C5	174.1°	90.0°
N1	C7	C6	H4	180.0°	90.0°
C7	N1	C8	C9	8.7°	90.0°
C7	N1	C8	C13	163.2°	90.0°
C7	N1	CU1	O2	115.8°	90.0°
C7	N1	CU1	O1	14.3°	90.0°
C7	N1	CU1	N2	163.0°	90.0°
N1	C8	C13	N2	1.3°	90.0°
C8	N1	C7	C6	174.8°	90.0°
C8	N1	C7	H4	5.2°	90.0°
N1	C8	C9	C13	171.6°	90.0°
N1	C8	C9	C10	174.5°	90.0°
N1	C8	C9	H5	5.5°	90.0°
N1	C8	C13	C12	172.7°	90.0°
C8	N1	CU1	O2	45.8°	90.0°
C8	N1	CU1	O1	175.8°	90.0°
C8	N1	CU1	N2	1.5°	90.0°
C2	C3	O3	C4	179.2°	90.0°
C2	C3	O3	C21	158.5°	90.0°
C2	C3	C4	C5	0.7°	90.0°
C2	C3	C4	H2	179.3°	90.0°
H1	C2	C3	O3	0.8°	90.0°
H1	C2	C3	C4	179.9°	90.0°
F2	C10	C9	C8	177.3°	90.0°
F2	C10	C9	C11	179.8°	90.0°
F2	C10	C9	H5	2.7°	90.0°
F2	C10	C11	C12	179.9°	90.0°
C13	N2	C14	CU1	162.7°	90.0°
N2	C13	C8	C9	173.3°	90.0°
N2	C13	C8	C12	174.1°	90.0°
N2	C13	C12	C11	175.6°	90.0°
N2	C13	C12	H6	4.5°	90.0°
C13	N2	C14	C15	175.1°	90.0°
C13	N2	C14	H7	4.9°	90.0°
C13	N2	CU1	O2	175.6°	90.0°
C13	N2	CU1	O1	56.6°	90.0°
C13	N2	CU1	N1	2.1°	90.0°
C14	N2	C13	C8	167.5°	90.0°
C14	N2	C13	C12	6.4°	90.0°
N2	C14	C15	H7	180.0°	90.0°
N2	C14	C15	C16	174.8°	90.0°
N2	C14	C15	C20	6.1°	90.0°
C14	N2	CU1	O2	11.7°	90.0°
C14	N2	CU1	O1	107.3°	90.0°
C14	N2	CU1	N1	166.1°	90.0°
O2	C20	C15	C14	1.8°	90.0°
O2	C20	C15	C16	179.1°	90.0°
O2	C20	C15	C19	178.8°	90.0°
O2	C20	C19	C18	179.0°	90.0°
O2	C20	C19	H10	1.0°	90.0°
C20	O2	CU1	O1	169.6°	90.0°
C20	O2	CU1	N1	39.3°	90.0°
C20	O2	CU1	N2	7.6°	90.0°
O3	C3	C4	C5	179.9°	90.0°
O3	C3	C4	H2	0.1°	90.0°
C3	O3	C21	C22	128.7°	90.0°
C3	O3	C21	H11	8.7°	90.0°
C3	O3	C21	H12	111.3°	90.0°
C4	C3	O3	C21	20.7°	90.0°
C3	C4	C5	H2	180.0°	90.0°
C3	C4	C5	C6	0.2°	90.0°
C3	C4	C5	H3	179.8°	90.0°
C22	N3	C23	C27	120.1°	90.0°
N3	C22	C21	O3	136.9°	90.0°
N3	C22	C21	H13	120.0°	90.0°
N3	C22	C21	H14	120.0°	90.0°
N3	C22	C21	H11	103.1°	90.0°
N3	C22	C21	H12	16.9°	90.0°
N3	C22	H13	H14	120.0°	90.0°
C22	N3	C23	C24	178.2°	90.0°
C22	N3	C23	H15	61.7°	90.0°
C22	N3	C23	H16	58.2°	90.0°
C22	N3	C27	C26	179.3°	90.0°
C22	N3	C27	H23	59.4°	90.0°
C22	N3	C27	H24	60.7°	90.0°
C23	N3	C22	C21	76.2°	90.0°
C23	N3	C22	H13	43.8°	90.0°
C23	N3	C22	H14	163.8°	90.0°
N3	C23	C24	H15	120.0°	90.0°
N3	C23	C24	H16	120.0°	90.0°
N3	C23	H15	H16	119.8°	90.0°
N3	C23	C24	C25	59.1°	90.0°
N3	C23	C24	H17	179.0°	90.0°
N3	C23	C24	H18	61.0°	90.0°
C23	N3	C27	C26	60.5°	90.0°
C23	N3	C27	H23	179.5°	90.0°
C23	N3	C27	H24	59.5°	90.0°
C27	N3	C22	C21	163.2°	90.0°
C27	N3	C22	H13	76.8°	90.0°
C27	N3	C22	H14	43.2°	90.0°
C27	N3	C23	C24	61.7°	90.0°
C27	N3	C23	H15	58.3°	90.0°
C27	N3	C23	H16	178.3°	90.0°
N3	C27	C26	C25	57.0°	90.0°
N3	C27	C26	H23	120.0°	90.0°
N3	C27	C26	H24	120.0°	90.0°
N3	C27	C26	H21	177.0°	90.0°
N3	C27	C26	H22	63.0°	90.0°
N3	C27	H23	H24	119.7°	90.0°
O3	C21	C22	H11	120.0°	90.0°
O3	C21	C22	H12	120.0°	90.0°
O3	C21	H11	H12	119.9°	90.0°
O3	C21	C22	H13	103.1°	90.0°
O3	C21	C22	H14	16.9°	90.0°
C4	C5	C6	H3	180.0°	90.0°
C4	C5	C6	C7	178.7°	90.0°
H2	C4	C5	C6	179.8°	90.0°
H2	C4	C5	H3	0.2°	90.0°
C29	N4	C30	C34	120.1°	90.0°
N4	C29	C28	O4	122.4°	90.0°
N4	C29	C28	H27	120.0°	90.0°
N4	C29	C28	H28	120.0°	90.0°
N4	C29	C28	H25	117.6°	90.0°
N4	C29	C28	H26	2.4°	90.0°
N4	C29	H27	H28	120.7°	90.0°
C29	N4	C30	C31	176.2°	90.0°
C29	N4	C30	H29	56.2°	90.0°
C29	N4	C30	H30	63.8°	90.0°
C29	N4	C34	C33	177.3°	90.0°
C29	N4	C34	H37	62.7°	90.0°
C29	N4	C34	H38	57.3°	90.0°
C30	N4	C29	C28	39.9°	90.0°
C30	N4	C29	H27	159.9°	90.0°
C30	N4	C29	H28	80.1°	90.0°
N4	C30	C31	H29	120.0°	90.0°
N4	C30	C31	H30	120.0°	90.0°
N4	C30	H29	H30	119.6°	90.0°
N4	C30	C31	C32	57.6°	90.0°
N4	C30	C31	H31	62.4°	90.0°
N4	C30	C31	H32	177.6°	90.0°
C30	N4	C34	C33	63.0°	90.0°
C30	N4	C34	H37	57.1°	90.0°
C30	N4	C34	H38	177.0°	90.0°
C34	N4	C29	C28	160.0°	90.0°
C34	N4	C29	H27	80.0°	90.0°
C34	N4	C29	H28	40.0°	90.0°
C34	N4	C30	C31	63.7°	90.0°
C34	N4	C30	H29	176.3°	90.0°
C34	N4	C30	H30	56.3°	90.0°
N4	C34	C33	C32	57.4°	90.0°
N4	C34	C33	H37	120.0°	90.0°
N4	C34	C33	H38	120.0°	90.0°
N4	C34	C33	H35	62.5°	90.0°
N4	C34	C33	H36	177.5°	90.0°
N4	C34	H37	H38	120.1°	90.0°
O4	C18	C17	C16	179.5°	90.0°
O4	C18	C17	C19	179.7°	90.0°
O4	C18	C17	H9	0.5°	90.0°
O4	C18	C19	C20	179.7°	90.0°
O4	C18	C19	H10	0.3°	90.0°
C18	O4	C28	C29	143.8°	90.0°
C18	O4	C28	H25	23.8°	90.0°
C18	O4	C28	H26	96.2°	90.0°
C28	O4	C18	C17	43.1°	90.0°
C28	O4	C18	C19	137.1°	90.0°
O4	C28	C29	H25	120.0°	90.0°
O4	C28	C29	H26	120.0°	90.0°
O4	C28	H25	H26	120.1°	90.0°
O4	C28	C29	H27	117.6°	90.0°
O4	C28	C29	H28	2.5°	90.0°
C5	C6	C7	H4	5.9°	90.0°
H3	C5	C6	C7	1.3°	90.0°
C6	C7	N1	CU1	14.6°	90.0°
H4	C7	N1	CU1	165.4°	90.0°
C8	C9	C10	H5	180.0°	90.0°
C8	C9	C10	C11	2.5°	90.0°
C9	C8	C13	C12	0.7°	90.0°
C9	C8	N1	CU1	171.4°	90.0°
C13	C8	C9	C10	3.0°	90.0°
C13	C8	C9	H5	177.0°	90.0°
C8	C13	C12	C11	1.9°	90.0°
C8	C13	C12	H6	178.1°	90.0°
C13	C8	N1	CU1	0.5°	90.0°
C8	C13	N2	CU1	2.5°	90.0°
C9	C10	C11	C12	0.2°	90.0°
H5	C9	C10	C11	177.5°	90.0°
C10	C11	C12	C13	2.4°	90.0°
C10	C11	C12	H6	177.7°	90.0°
C11	C12	C13	H6	180.0°	90.0°
C12	C13	N2	CU1	171.4°	90.0°
C14	C15	C16	C20	179.2°	90.0°
C14	C15	C16	C17	179.6°	90.0°
C14	C15	C16	H8	0.4°	90.0°
C14	C15	C20	C19	179.4°	90.0°
C15	C14	N2	CU1	12.4°	90.0°
H7	C14	C15	C16	5.2°	90.0°
H7	C14	C15	C20	173.9°	90.0°
H7	C14	N2	CU1	167.6°	90.0°
C15	C16	C17	H8	180.0°	90.0°
C15	C16	C17	C18	0.4°	90.0°
C15	C16	C17	H9	179.6°	90.0°
C16	C15	C20	C19	0.3°	90.0°
C20	C15	C16	C17	0.4°	90.0°
C20	C15	C16	H8	179.6°	90.0°
C15	C20	C19	C18	0.1°	90.0°
C15	C20	C19	H10	179.9°	90.0°
C15	C20	O2	CU1	4.6°	90.0°
C16	C17	C18	H9	180.0°	90.0°
C16	C17	C18	C19	0.2°	90.0°
H8	C16	C17	C18	179.6°	90.0°
H8	C16	C17	H9	0.4°	90.0°
C17	C18	C19	C20	0.1°	90.0°
C17	C18	C19	H10	179.9°	90.0°
H9	C17	C18	C19	179.8°	90.0°
C18	C19	C20	H10	180.0°	90.0°
C19	C20	O2	CU1	176.6°	90.0°
C22	C21	H11	H12	119.9°	90.0°
C21	C22	H13	H14	120.0°	90.0°
H11	C21	C22	H13	16.9°	90.0°
H11	C21	C22	H14	136.9°	90.0°
H12	C21	C22	H13	136.9°	90.0°
H12	C21	C22	H14	103.1°	90.0°
C24	C23	H15	H16	119.8°	90.0°
C23	C24	C25	H17	120.0°	90.0°
C23	C24	C25	H18	120.0°	90.0°
C23	C24	H17	H18	120.0°	90.0°
C23	C24	C25	C26	55.7°	90.0°
C23	C24	C25	H19	64.3°	90.0°
C23	C24	C25	H20	175.7°	90.0°
H15	C23	C24	C25	61.0°	90.0°
H15	C23	C24	H17	59.0°	90.0°
H15	C23	C24	H18	179.0°	90.0°
H16	C23	C24	C25	179.1°	90.0°
H16	C23	C24	H17	60.9°	90.0°
H16	C23	C24	H18	59.0°	90.0°
C25	C24	H17	H18	120.0°	90.0°
C24	C25	C26	H19	120.0°	90.0°
C24	C25	C26	H20	120.0°	90.0°
C24	C25	H19	H20	119.5°	90.0°
C24	C25	C26	C27	55.0°	90.0°
C24	C25	C26	H21	175.0°	90.0°
C24	C25	C26	H22	65.0°	90.0°
H17	C24	C25	C26	175.7°	90.0°
H17	C24	C25	H19	55.7°	90.0°
H17	C24	C25	H20	64.3°	90.0°
H18	C24	C25	C26	64.3°	90.0°
H18	C24	C25	H19	175.7°	90.0°
H18	C24	C25	H20	55.7°	90.0°
C26	C25	H19	H20	119.5°	90.0°
C25	C26	C27	H21	120.0°	90.0°
C25	C26	C27	H22	120.0°	90.0°
C25	C26	H21	H22	119.5°	90.0°
C25	C26	C27	H23	176.9°	90.0°
C25	C26	C27	H24	63.0°	90.0°
H19	C25	C26	C27	65.0°	90.0°
H19	C25	C26	H21	55.0°	90.0°
H19	C25	C26	H22	175.0°	90.0°
H20	C25	C26	C27	175.0°	90.0°
H20	C25	C26	H21	65.0°	90.0°
H20	C25	C26	H22	55.0°	90.0°
C27	C26	H21	H22	119.5°	90.0°
C26	C27	H23	H24	119.7°	90.0°
H21	C26	C27	H23	63.1°	90.0°
H21	C26	C27	H24	57.0°	90.0°
H22	C26	C27	H23	56.9°	90.0°
H22	C26	C27	H24	177.0°	90.0°
C29	C28	H25	H26	120.1°	90.0°
C28	C29	H27	H28	120.8°	90.0°
H25	C28	C29	H27	2.4°	90.0°
H25	C28	C29	H28	122.4°	90.0°
H26	C28	C29	H27	122.4°	90.0°
H26	C28	C29	H28	117.5°	90.0°
C31	C30	H29	H30	119.6°	90.0°
C30	C31	C32	H31	120.0°	90.0°
C30	C31	C32	H32	120.0°	90.0°
C30	C31	H31	H32	119.4°	90.0°
C30	C31	C32	C33	50.9°	90.0°
C30	C31	C32	H33	170.9°	90.0°
C30	C31	C32	H34	69.1°	90.0°
H29	C30	C31	C32	177.6°	90.0°
H29	C30	C31	H31	57.6°	90.0°
H29	C30	C31	H32	62.4°	90.0°
H30	C30	C31	C32	62.4°	90.0°
H30	C30	C31	H31	177.6°	90.0°
H30	C30	C31	H32	57.6°	90.0°
C32	C31	H31	H32	119.4°	90.0°
C31	C32	C33	H33	120.0°	90.0°
C31	C32	C33	H34	120.0°	90.0°
C31	C32	H33	H34	119.7°	90.0°
C31	C32	C33	C34	51.3°	90.0°
C31	C32	C33	H35	68.6°	90.0°
C31	C32	C33	H36	171.3°	90.0°
H31	C31	C32	C33	69.1°	90.0°
H31	C31	C32	H33	50.9°	90.0°
H31	C31	C32	H34	170.9°	90.0°
H32	C31	C32	C33	170.9°	90.0°
H32	C31	C32	H33	69.1°	90.0°
H32	C31	C32	H34	50.9°	90.0°
C33	C32	H33	H34	119.8°	90.0°
C32	C33	C34	H35	120.0°	90.0°
C32	C33	C34	H36	120.0°	90.0°
C32	C33	H35	H36	119.0°	90.0°
C32	C33	C34	H37	62.6°	90.0°
C32	C33	C34	H38	177.5°	90.0°
H33	C32	C33	C34	171.3°	90.0°
H33	C32	C33	H35	51.4°	90.0°
H33	C32	C33	H36	68.7°	90.0°
H34	C32	C33	C34	68.6°	90.0°
H34	C32	C33	H35	171.4°	90.0°
H34	C32	C33	H36	51.4°	90.0°
C34	C33	H35	H36	119.0°	90.0°
C33	C34	H37	H38	120.1°	90.0°
H35	C33	C34	H37	177.5°	90.0°
H35	C33	C34	H38	57.5°	90.0°
H36	C33	C34	H37	57.5°	90.0°
H36	C33	C34	H38	62.5°	90.0°
O2	CU1	O1	N1	177.6°	90.0°
O2	CU1	O1	N2	119.2°	90.0°
O2	CU1	N1	N2	47.2°	90.0°
O1	CU1	N1	N2	177.3°	90.0°

Definition date:	2011-03-03
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	3QSC