7U8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	N9	sing	1.36Å	1.32Å	Aromatic
C8	C7	doub	1.36Å	1.38Å	Aromatic
N9	C5	sing	1.38Å	1.33Å	Aromatic
C11	N12	sing	1.37Å	1.32Å	Aromatic
C11	C10	doub	1.35Å	1.39Å	Aromatic
N12	C13	sing	1.38Å	1.35Å	Aromatic
O2	C1	sing	1.43Å	1.41Å
O2	C3	sing	1.35Å	1.41Å
C10	C7	sing	1.48Å	1.54Å
C10	C18	sing	1.47Å	1.42Å	Aromatic
C7	C6	sing	1.42Å	1.40Å	Aromatic
C13	C14	doub	1.39Å	1.40Å	Aromatic
C13	C18	sing	1.41Å	1.38Å	Aromatic
C5	C3	sing	1.41Å	1.52Å
C5	C6	doub	1.39Å	1.41Å	Aromatic
C3	O4	doub	1.22Å	1.18Å
C14	C15	sing	1.38Å	1.37Å	Aromatic
C18	C17	doub	1.39Å	1.41Å	Aromatic
C6	C21	sing	1.48Å	1.56Å
C15	CL2	sing	1.74Å	1.76Å
C15	C16	doub	1.39Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C16	CL1	sing	1.74Å	1.79Å
C21	C22	doub	1.36Å	1.39Å	Aromatic
C21	C25	sing	1.47Å	1.43Å	Aromatic
C22	N23	sing	1.36Å	1.33Å	Aromatic
C26	C25	doub	1.39Å	1.42Å	Aromatic
C26	C27	sing	1.38Å	1.39Å	Aromatic
C25	C24	sing	1.41Å	1.38Å	Aromatic
N23	C24	sing	1.38Å	1.37Å	Aromatic
CL3	C27	sing	1.74Å	1.79Å
C27	C28	doub	1.39Å	1.39Å	Aromatic
C24	C29	doub	1.39Å	1.42Å	Aromatic
C28	C29	sing	1.38Å	1.39Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.08Å	1.08Å
C22	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C26	H9	sing	1.08Å	1.08Å
C28	H10	sing	1.08Å	1.08Å
C29	H11	sing	1.08Å	1.08Å
N9	H12	sing	0.97Å	1.00Å
N12	H13	sing	0.97Å	1.00Å
N23	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N9	C8	C7	110.6°	109.1°
C8	N9	C5	107.5°	109.1°
N9	C8	H8	124.7°	125.4°
C8	N9	H12	126.3°	125.4°
C8	C7	C10	112.7°	126.2°
C8	C7	C6	107.3°	107.6°
C7	C8	H8	124.7°	125.5°
N9	C5	C3	118.3°	126.3°
N9	C5	C6	110.7°	107.5°
C5	N9	H12	126.2°	125.5°
N12	C11	C10	109.8°	109.8°
C11	N12	C13	109.0°	110.0°
N12	C11	H1	125.1°	125.1°
C11	N12	H13	125.5°	125.0°
C11	C10	C7	117.6°	126.6°
C11	C10	C18	106.1°	106.7°
C10	C11	H1	125.1°	125.2°
N12	C13	C14	128.6°	133.2°
N12	C13	C18	110.0°	107.4°
C13	N12	H13	125.5°	124.9°
C1	O2	C3	114.7°	117.0°
O2	C1	H5	109.5°	109.5°
O2	C1	H6	109.5°	109.5°
O2	C1	H7	109.5°	109.5°
O2	C3	C5	118.1°	120.0°
O2	C3	O4	122.4°	120.0°
C7	C10	C18	136.2°	126.6°
C10	C7	C6	140.0°	126.2°
C10	C18	C13	105.2°	106.1°
C10	C18	C17	135.9°	133.9°
C7	C6	C5	103.8°	106.7°
C7	C6	C21	130.6°	126.6°
C14	C13	C18	121.4°	119.4°
C13	C14	C15	118.8°	119.9°
C13	C14	H2	120.6°	120.0°
C13	C18	C17	118.9°	120.0°
C3	C5	C6	130.9°	126.2°
C5	C3	O4	119.5°	120.0°
C5	C6	C21	125.6°	126.7°
C14	C15	CL2	116.4°	119.7°
C14	C15	C16	121.6°	120.6°
C15	C14	H2	120.6°	120.1°
C18	C17	C16	120.2°	119.7°
C18	C17	H3	119.9°	120.2°
C6	C21	C22	125.1°	126.7°
C6	C21	C25	129.8°	126.7°
CL2	C15	C16	122.0°	119.7°
C15	C16	C17	119.0°	120.3°
C15	C16	CL1	121.9°	119.8°
C17	C16	CL1	119.1°	119.8°
C16	C17	H3	119.9°	120.1°
C22	C21	C25	105.0°	106.6°
C21	C22	N23	110.1°	109.7°
C21	C22	H4	124.9°	125.2°
C21	C25	C26	135.3°	133.9°
C21	C25	C24	107.2°	106.0°
C22	N23	C24	109.3°	110.2°
N23	C22	H4	125.0°	125.1°
C22	N23	H14	125.3°	125.0°
C25	C26	C27	122.3°	119.6°
C26	C25	C24	117.4°	120.1°
C25	C26	H9	118.9°	120.2°
C26	C27	CL3	120.3°	119.8°
C26	C27	C28	119.6°	120.3°
C27	C26	H9	118.9°	120.2°
C25	C24	N23	108.3°	107.4°
C25	C24	C29	120.9°	119.4°
N23	C24	C29	130.8°	133.2°
C24	N23	H14	125.3°	124.8°
CL3	C27	C28	120.1°	119.8°
C27	C28	C29	119.2°	120.6°
C27	C28	H10	120.4°	119.7°
C24	C29	C28	120.6°	119.9°
C24	C29	H11	119.7°	120.0°
C29	C28	H10	120.4°	119.7°
C28	C29	H11	119.7°	120.0°
H5	C1	H6	109.4°	109.4°
H5	C1	H7	109.5°	109.4°
H6	C1	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N9	C8	C7	H8	180.0°	179.6°
C8	N9	C5	H12	180.0°	179.6°
N9	C8	C7	C10	179.7°	179.8°
N9	C8	C7	C6	0.8°	0.3°
C8	N9	C5	C3	178.5°	179.9°
C8	N9	C5	C6	0.2°	0.4°
C7	C8	N9	C5	0.4°	0.4°
C8	C7	C10	C11	29.4°	65.3°
C8	C7	C10	C6	178.4°	179.9°
C8	C7	C10	C18	147.2°	115.1°
C8	C7	C6	C5	0.9°	0.0°
C8	C7	C6	C21	179.2°	179.9°
C7	C8	N9	H12	179.7°	179.9°
N9	C5	C3	O2	44.7°	0.3°
N9	C5	C6	C7	0.7°	0.2°
N9	C5	C3	C6	177.9°	179.7°
N9	C5	C3	O4	136.3°	179.6°
N9	C5	C6	C21	179.2°	179.8°
C5	N9	C8	H8	179.6°	180.0°
N12	C11	C10	H1	180.0°	180.0°
C11	N12	C13	H13	180.0°	179.8°
N12	C11	C10	C7	178.5°	180.0°
N12	C11	C10	C18	0.9°	0.3°
C11	N12	C13	C14	179.8°	179.8°
C11	N12	C13	C18	0.0°	0.0°
C10	C11	N12	C13	0.6°	0.1°
C11	C10	C7	C18	176.6°	179.7°
C11	C10	C7	C6	149.0°	114.7°
C11	C10	C18	C13	0.9°	0.3°
C11	C10	C18	C17	179.6°	179.8°
C10	C11	N12	H13	179.4°	180.0°
N12	C13	C18	C10	0.5°	0.2°
N12	C13	C14	C18	179.8°	179.8°
N12	C13	C14	C15	180.0°	179.8°
N12	C13	C18	C17	179.8°	179.8°
C13	N12	C11	H1	179.4°	179.8°
N12	C13	C14	H2	0.0°	0.2°
C1	O2	C3	C5	51.8°	180.0°
C1	O2	C3	O4	127.2°	0.0°
O2	C1	H5	H6	120.0°	120.0°
O2	C1	H5	H7	120.0°	120.0°
O2	C1	H6	H7	120.0°	120.1°
O2	C3	C5	O4	179.0°	179.9°
O2	C3	C5	C6	133.3°	180.0°
C3	O2	C1	H5	180.0°	60.0°
C3	O2	C1	H6	60.0°	180.0°
C3	O2	C1	H7	60.0°	60.0°
C7	C10	C18	C13	177.7°	180.0°
C10	C7	C6	C5	179.3°	179.9°
C7	C10	C18	C17	2.7°	0.0°
C10	C7	C6	C21	2.3°	0.0°
C7	C10	C11	H1	1.5°	0.0°
C10	C7	C8	H8	0.3°	0.2°
C18	C10	C7	C6	34.4°	65.0°
C10	C18	C13	C14	179.6°	180.0°
C10	C18	C13	C17	179.7°	180.0°
C10	C18	C17	C16	179.3°	180.0°
C18	C10	C11	H1	179.1°	179.7°
C10	C18	C17	H3	0.8°	0.0°
C7	C6	C5	C3	178.7°	179.9°
C7	C6	C5	C21	178.5°	180.0°
C7	C6	C21	C22	29.7°	90.0°
C7	C6	C21	C25	153.2°	90.3°
C6	C7	C8	H8	179.2°	179.9°
C13	C14	C15	H2	180.0°	180.0°
C14	C13	C18	C17	0.0°	0.0°
C13	C14	C15	CL2	179.8°	180.0°
C13	C14	C15	C16	0.2°	0.0°
C14	C13	N12	H13	0.2°	0.0°
C18	C13	C14	C15	0.2°	0.0°
C13	C18	C17	C16	0.3°	0.0°
C18	C13	C14	H2	179.8°	180.0°
C13	C18	C17	H3	179.7°	180.0°
C18	C13	N12	H13	180.0°	179.8°
C3	C5	C6	C21	2.8°	0.1°
C3	C5	N9	H12	1.4°	0.2°
C6	C5	C3	O4	45.8°	0.0°
C5	C6	C21	C22	148.4°	90.1°
C5	C6	C21	C25	28.7°	89.7°
C6	C5	N9	H12	179.8°	180.0°
C14	C15	CL2	C16	179.5°	180.0°
C14	C15	C16	C17	0.0°	0.0°
C14	C15	C16	CL1	179.7°	180.0°
C18	C17	C16	C15	0.3°	0.0°
C18	C17	C16	H3	180.0°	180.0°
C18	C17	C16	CL1	179.5°	180.0°
C6	C21	C22	C25	177.7°	179.8°
C6	C21	C22	N23	179.0°	179.7°
C6	C21	C25	C26	2.6°	0.3°
C6	C21	C25	C24	178.7°	179.7°
C6	C21	C22	H4	1.0°	0.2°
CL2	C15	C16	C17	179.5°	180.0°
CL2	C15	C16	CL1	0.8°	0.0°
CL2	C15	C14	H2	0.3°	0.0°
C15	C16	C17	CL1	179.7°	180.0°
C16	C15	C14	H2	179.8°	180.0°
C15	C16	C17	H3	179.7°	180.0°
CL1	C16	C17	H3	0.6°	0.0°
C21	C22	N23	H4	180.0°	179.9°
C22	C21	C25	C26	179.8°	180.0°
C22	C21	C25	C24	1.2°	0.0°
C21	C22	N23	C24	1.0°	0.1°
C21	C22	N23	H14	179.0°	180.0°
C25	C21	C22	N23	1.3°	0.1°
C21	C25	C26	C24	178.6°	180.0°
C21	C25	C26	C27	179.5°	180.0°
C21	C25	C24	N23	0.6°	0.0°
C21	C25	C24	C29	179.6°	180.0°
C25	C21	C22	H4	178.7°	180.0°
C21	C25	C26	H9	0.5°	0.0°
C22	N23	C24	C25	0.2°	0.0°
C22	N23	C24	H14	180.0°	179.9°
C22	N23	C24	C29	179.6°	180.0°
C25	C26	C27	H9	180.0°	179.9°
C26	C25	C24	N23	179.6°	180.0°
C25	C26	C27	CL3	179.7°	180.0°
C25	C26	C27	C28	0.9°	0.1°
C26	C25	C24	C29	0.6°	0.0°
C27	C26	C25	C24	0.9°	0.0°
C26	C27	CL3	C28	178.8°	179.9°
C26	C27	C28	C29	0.6°	0.1°
C26	C27	C28	H10	179.4°	180.0°
C25	C24	N23	C29	179.8°	180.0°
C25	C24	C29	C28	0.4°	0.0°
C24	C25	C26	H9	179.1°	180.0°
C25	C24	C29	H11	179.6°	180.0°
C25	C24	N23	H14	179.8°	180.0°
N23	C24	C29	C28	179.9°	180.0°
C24	N23	C22	H4	179.1°	180.0°
N23	C24	C29	H11	0.1°	0.0°
CL3	C27	C28	C29	179.4°	180.0°
CL3	C27	C26	H9	0.3°	0.1°
CL3	C27	C28	H10	0.6°	0.1°
C27	C28	C29	C24	0.4°	0.1°
C27	C28	C29	H10	180.0°	179.9°
C28	C27	C26	H9	179.1°	180.0°
C27	C28	C29	H11	179.6°	180.0°
C24	C29	C28	H11	180.0°	180.0°
C24	C29	C28	H10	179.6°	180.0°
C29	C24	N23	H14	0.4°	0.0°
H1	C11	N12	H13	0.6°	0.0°
H4	C22	N23	H14	1.0°	0.1°
H5	C1	H6	H7	120.0°	119.9°
H8	C8	N9	H12	0.3°	0.3°
H10	C28	C29	H11	0.4°	0.0°

Release date:	2022-03-02
Definition date:	2021-10-26
Last modified:	2022-02-25
Release status:	REL
Processing site:	PDBJ
Derived from:	7VRG