9EI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	doub	1.39Å	1.41Å	Aromatic
C3	C4	sing	1.38Å	1.41Å	Aromatic
C2	C1	sing	1.36Å	1.39Å	Aromatic
N30	C10	sing	1.40Å	1.38Å
C4	N5	sing	1.40Å	1.39Å
C4	C21	doub	1.41Å	1.50Å	Aromatic
N5	C6	sing	1.35Å	1.37Å
C1	C22	doub	1.41Å	1.40Å	Aromatic
C10	C8	doub	1.39Å	1.41Å	Aromatic
C10	C12	sing	1.39Å	1.38Å	Aromatic
C8	C7	sing	1.40Å	1.41Å	Aromatic
C22	C21	sing	1.42Å	1.48Å	Aromatic
C22	C24	sing	1.41Å	1.39Å	Aromatic
C12	N13	doub	1.32Å	1.36Å	Aromatic
C21	C20	sing	1.40Å	1.42Å	Aromatic
C7	C6	sing	1.48Å	1.50Å
C7	C15	doub	1.40Å	1.41Å	Aromatic
C6	O18	doub	1.22Å	1.20Å
C24	C26	doub	1.36Å	1.41Å	Aromatic
C20	C28	doub	1.36Å	1.40Å	Aromatic
N13	C15	sing	1.32Å	1.34Å	Aromatic
C26	C28	sing	1.39Å	1.40Å	Aromatic
C8	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
N30	H6	sing	0.97Å	1.00Å
N30	H7	sing	0.97Å	1.00Å
C15	H8	sing	1.08Å	1.08Å
N5	H9	sing	0.97Å	1.00Å
C24	H10	sing	1.08Å	1.08Å
C26	H11	sing	1.08Å	1.08Å
C28	H12	sing	1.08Å	1.08Å
C20	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C3	C4	120.8°	120.7°
C3	C2	C1	120.5°	121.1°
C3	C2	H3	119.7°	119.4°
C2	C3	H4	119.6°	119.6°
C3	C4	N5	119.7°	120.3°
C3	C4	C21	120.1°	119.4°
C4	C3	H4	119.6°	119.7°
C2	C1	C22	122.8°	119.9°
C2	C1	H2	118.6°	120.0°
C1	C2	H3	119.7°	119.4°
N30	C10	C8	123.1°	120.4°
N30	C10	C12	119.2°	120.4°
C10	N30	H6	109.5°	120.0°
C10	N30	H7	109.5°	120.0°
N5	C4	C21	119.2°	120.3°
C4	N5	C6	124.8°	120.1°
C4	N5	H9	117.6°	120.0°
C4	C21	C22	116.0°	119.3°
C4	C21	C20	122.6°	121.2°
N5	C6	C7	114.0°	120.1°
N5	C6	O18	124.2°	120.0°
C6	N5	H9	117.6°	120.0°
C1	C22	C21	119.6°	119.5°
C1	C22	C24	122.3°	121.2°
C22	C1	H2	118.6°	120.1°
C8	C10	C12	117.7°	119.2°
C10	C8	C7	119.9°	118.2°
C10	C8	H1	120.0°	120.9°
C10	C12	N13	122.3°	121.0°
C10	C12	H5	118.9°	119.5°
C8	C7	C6	121.4°	120.6°
C8	C7	C15	118.9°	118.9°
C7	C8	H1	120.1°	120.9°
C21	C22	C24	118.1°	119.3°
C22	C21	C20	121.4°	119.4°
C22	C24	C26	118.3°	119.7°
C22	C24	H10	120.8°	120.2°
C12	N13	C15	121.1°	122.0°
N13	C12	H5	118.9°	119.6°
C21	C20	C28	118.7°	119.6°
C21	C20	H13	120.6°	120.2°
C6	C7	C15	119.6°	120.5°
C7	C6	O18	121.6°	120.0°
C7	C15	N13	119.9°	120.7°
C7	C15	H8	120.0°	119.6°
C24	C26	C28	124.4°	120.9°
C26	C24	H10	120.8°	120.1°
C24	C26	H11	117.8°	119.5°
C20	C28	C26	119.1°	121.0°
C20	C28	H12	120.5°	119.5°
C28	C20	H13	120.6°	120.2°
N13	C15	H8	120.1°	119.7°
C28	C26	H11	117.8°	119.5°
C26	C28	H12	120.4°	119.5°
H6	N30	H7	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C3	C4	H4	180.0°	180.0°
C3	C2	C1	H3	180.0°	179.7°
C2	C3	C4	N5	173.6°	180.0°
C2	C3	C4	C21	5.1°	0.3°
C3	C2	C1	C22	2.1°	0.3°
C3	C2	C1	H2	177.8°	180.0°
C4	C3	C2	C1	3.8°	0.0°
C3	C4	N5	C21	168.5°	179.7°
C3	C4	N5	C6	98.3°	24.9°
C3	C4	C21	C22	4.6°	0.3°
C3	C4	C21	C20	178.2°	179.7°
C4	C3	C2	H3	176.1°	179.7°
C3	C4	N5	H9	81.7°	155.1°
C2	C1	C22	H2	180.0°	179.7°
C2	C1	C22	C21	1.8°	0.3°
C2	C1	C22	C24	179.7°	180.0°
C1	C2	C3	H4	176.2°	180.0°
N30	C10	C8	C12	177.9°	179.9°
N30	C10	C8	C7	179.2°	180.0°
N30	C10	C12	N13	178.3°	179.9°
N30	C10	C8	H1	0.8°	0.1°
N30	C10	C12	H5	1.7°	0.1°
C10	N30	H6	H7	120.0°	179.9°
C4	N5	C6	H9	180.0°	180.0°
N5	C4	C21	C22	173.1°	180.0°
N5	C4	C21	C20	9.7°	0.0°
C4	N5	C6	C7	178.4°	174.5°
C4	N5	C6	O18	5.4°	5.5°
N5	C4	C3	H4	6.4°	0.0°
C21	C4	N5	C6	70.2°	154.8°
C4	C21	C22	C1	2.9°	0.0°
C4	C21	C22	C20	177.3°	179.9°
C4	C21	C22	C24	178.5°	179.7°
C4	C21	C20	C28	176.4°	179.9°
C21	C4	C3	H4	174.9°	179.7°
C21	C4	N5	H9	109.7°	25.2°
C4	C21	C20	H13	3.6°	0.1°
N5	C6	C7	C8	35.8°	179.8°
N5	C6	C7	O18	176.3°	179.9°
N5	C6	C7	C15	143.8°	0.0°
C1	C22	C21	C24	178.6°	179.7°
C1	C22	C21	C20	179.8°	180.0°
C1	C22	C24	C26	179.9°	180.0°
C22	C1	C2	H3	177.8°	180.0°
C1	C22	C24	H10	0.2°	0.0°
C10	C8	C7	H1	180.0°	180.0°
C8	C10	C12	N13	3.7°	0.0°
C10	C8	C7	C6	177.7°	180.0°
C10	C8	C7	C15	2.7°	0.2°
C8	C10	C12	H5	176.3°	180.0°
C8	C10	N30	H6	180.0°	0.1°
C8	C10	N30	H7	60.0°	180.0°
C12	C10	C8	C7	2.9°	0.1°
C10	C12	N13	H5	180.0°	180.0°
C10	C12	N13	C15	4.4°	0.3°
C12	C10	C8	H1	177.1°	180.0°
C12	C10	N30	H6	2.1°	180.0°
C12	C10	N30	H7	122.1°	0.1°
C8	C7	C6	C15	179.6°	179.8°
C8	C7	C6	O18	147.9°	0.3°
C8	C7	C15	N13	3.2°	0.5°
C8	C7	C15	H8	176.8°	179.7°
C21	C22	C24	C26	1.6°	0.2°
C22	C21	C20	C28	0.7°	0.1°
C21	C22	C1	H2	178.2°	180.0°
C21	C22	C24	H10	178.4°	179.7°
C22	C21	C20	H13	179.3°	180.0°
C24	C22	C21	C20	1.2°	0.3°
C22	C24	C26	H10	180.0°	180.0°
C22	C24	C26	C28	0.1°	0.0°
C24	C22	C1	H2	0.4°	0.3°
C22	C24	C26	H11	179.9°	180.0°
C12	N13	C15	C7	4.0°	0.6°
C12	N13	C15	H8	176.0°	179.6°
C21	C20	C28	H13	180.0°	179.9°
C21	C20	C28	C26	2.1°	0.1°
C21	C20	C28	H12	177.9°	179.9°
C6	C7	C15	N13	177.2°	179.7°
C6	C7	C8	H1	2.3°	0.0°
C6	C7	C15	H8	2.8°	0.1°
C7	C6	N5	H9	1.5°	5.5°
C15	C7	C6	O18	32.5°	179.9°
C7	C15	N13	H8	180.0°	179.8°
C15	C7	C8	H1	177.3°	179.7°
O18	C6	N5	H9	174.6°	174.5°
C24	C26	C28	C20	1.8°	0.2°
C24	C26	C28	H11	180.0°	180.0°
C24	C26	C28	H12	178.2°	180.0°
C20	C28	C26	H12	180.0°	179.8°
C20	C28	C26	H11	178.2°	179.8°
C15	N13	C12	H5	175.6°	179.7°
C28	C26	C24	H10	179.9°	180.0°
C26	C28	C20	H13	177.9°	179.7°
H2	C1	C2	H3	2.2°	0.3°
H3	C2	C3	H4	3.9°	0.3°
H10	C24	C26	H11	0.1°	0.0°
H11	C26	C28	H12	1.8°	0.0°
H12	C28	C20	H13	2.1°	0.1°

Release date:	2021-10-20
Definition date:	2021-10-08
Last modified:	2021-10-15
Release status:	REL
Processing site:	RCSB
Derived from:	7SGU