9RP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C21	C19	doub	1.38Å	1.39Å	Aromatic
C21	C20	sing	1.38Å	1.39Å	Aromatic
C19	C17	sing	1.38Å	1.38Å	Aromatic
C20	C18	doub	1.38Å	1.39Å	Aromatic
C17	C11	doub	1.39Å	1.39Å	Aromatic
C18	C11	sing	1.39Å	1.39Å	Aromatic
C11	N3	sing	1.40Å	1.39Å
N3	C2	sing	1.36Å	1.35Å	Aromatic
N3	N5	sing	1.40Å	1.41Å	Aromatic
O12	C2	sing	1.36Å	1.35Å
C2	C1	doub	1.38Å	1.38Å	Aromatic
N5	C7	doub	1.31Å	1.31Å	Aromatic
C1	C7	sing	1.41Å	1.41Å	Aromatic
C1	C4	sing	1.48Å	1.47Å
N6	C4	sing	1.38Å	1.37Å	Aromatic
N6	C10	sing	1.37Å	1.37Å	Aromatic
C4	C8	doub	1.36Å	1.36Å	Aromatic
C10	C14	doub	1.39Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.41Å	Aromatic
C14	C16	sing	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.46Å	1.46Å	Aromatic
C9	C15	doub	1.39Å	1.39Å	Aromatic
C16	N13	doub	1.32Å	1.32Å	Aromatic
C15	N13	sing	1.32Å	1.32Å	Aromatic
C7	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.08Å	1.08Å
C21	H6	sing	1.08Å	1.08Å
N6	H8	sing	0.97Å	1.00Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C19	H12	sing	1.08Å	1.08Å
O12	H7	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C21	C20	120.0°	120.1°
C21	C19	C17	120.8°	120.1°
C19	C21	H6	120.0°	120.0°
C21	C19	H12	119.6°	120.0°
C21	C20	C18	119.3°	120.1°
C21	C20	H5	120.4°	120.0°
C20	C21	H6	120.0°	119.9°
C19	C17	C11	119.3°	120.0°
C19	C17	H4	120.4°	120.0°
C17	C19	H12	119.6°	120.0°
C20	C18	C11	120.3°	119.9°
C18	C20	H5	120.4°	119.9°
C20	C18	H11	119.8°	120.1°
C17	C11	C18	120.3°	119.9°
C17	C11	N3	120.8°	120.1°
C11	C17	H4	120.4°	120.0°
C18	C11	N3	118.9°	120.1°
C11	C18	H11	119.9°	120.0°
C11	N3	C2	125.8°	125.9°
C11	N3	N5	126.2°	125.9°
C2	N3	N5	107.9°	108.2°
N3	C2	O12	124.7°	126.4°
N3	C2	C1	108.2°	107.2°
N3	N5	C7	108.6°	109.0°
O12	C2	C1	127.1°	126.5°
C2	O12	H7	109.5°	114.0°
C2	C1	C7	106.7°	107.3°
C2	C1	C4	124.8°	126.4°
N5	C7	C1	108.5°	108.4°
N5	C7	H1	125.7°	125.8°
C7	C1	C4	128.5°	126.3°
C1	C7	H1	125.7°	125.8°
C1	C4	N6	123.4°	125.3°
C1	C4	C8	127.9°	125.2°
C4	N6	C10	110.7°	109.9°
N6	C4	C8	108.6°	109.6°
C4	N6	H8	124.7°	125.1°
N6	C10	C14	134.0°	134.4°
N6	C10	C9	107.5°	107.5°
C10	N6	H8	124.6°	125.1°
C4	C8	C9	107.5°	106.9°
C4	C8	H2	126.2°	126.5°
C14	C10	C9	118.6°	118.1°
C10	C14	C16	119.0°	118.9°
C10	C14	H9	120.5°	120.5°
C10	C9	C8	105.6°	106.2°
C10	C9	C15	118.5°	119.1°
C14	C16	N13	121.0°	121.5°
C16	C14	H9	120.5°	120.6°
C14	C16	H10	119.5°	119.2°
C8	C9	C15	135.9°	134.7°
C9	C8	H2	126.3°	126.6°
C9	C15	N13	120.3°	120.1°
C9	C15	H3	119.8°	120.0°
C16	N13	C15	122.6°	122.2°
N13	C16	H10	119.5°	119.3°
N13	C15	H3	119.8°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C21	C20	H6	180.0°	179.5°
C21	C19	C17	H12	180.0°	179.5°
C19	C21	C20	C18	0.1°	0.8°
C21	C19	C17	C11	1.2°	0.0°
C21	C19	C17	H4	178.9°	179.7°
C19	C21	C20	H5	179.9°	179.8°
C20	C21	C19	C17	0.3°	0.5°
C21	C20	C18	H5	180.0°	179.4°
C21	C20	C18	C11	0.7°	0.5°
C21	C20	C18	H11	179.3°	179.4°
C20	C21	C19	H12	179.7°	180.0°
C19	C17	C11	H4	180.0°	179.7°
C19	C17	C11	C18	1.8°	0.3°
C19	C17	C11	N3	179.9°	179.7°
C17	C19	C21	H6	179.7°	180.0°
C20	C18	C11	C17	1.5°	0.0°
C20	C18	C11	H11	180.0°	180.0°
C20	C18	C11	N3	179.9°	180.0°
C18	C20	C21	H6	179.9°	179.7°
C17	C11	C18	N3	178.4°	180.0°
C17	C11	N3	C2	42.9°	145.0°
C17	C11	N3	N5	140.0°	35.4°
C17	C11	C18	H11	178.5°	180.0°
C11	C17	C19	H12	178.8°	179.5°
C18	C11	N3	C2	135.5°	35.0°
C18	C11	N3	N5	41.6°	144.6°
C18	C11	C17	H4	178.3°	180.0°
C11	C18	C20	H5	179.3°	180.0°
C11	N3	C2	N5	177.6°	179.7°
C11	N3	C2	O12	2.8°	0.3°
C11	N3	C2	C1	176.7°	179.7°
C11	N3	N5	C7	176.5°	179.7°
N3	C11	C17	H4	0.1°	0.0°
N3	C11	C18	H11	0.1°	0.0°
N3	C2	O12	C1	179.4°	180.0°
C2	N3	N5	C7	1.1°	0.0°
N3	C2	C1	C7	0.4°	0.1°
N3	C2	C1	C4	178.5°	180.0°
N3	C2	O12	H7	180.0°	90.0°
N5	N3	C2	O12	179.6°	180.0°
N5	N3	C2	C1	0.9°	0.1°
N3	N5	C7	C1	0.8°	0.0°
N3	N5	C7	H1	179.2°	179.9°
O12	C2	C1	C7	179.9°	180.0°
O12	C2	C1	C4	1.0°	0.0°
C2	C1	C7	N5	0.3°	0.0°
C2	C1	C7	C4	178.8°	179.9°
C2	C1	C4	N6	2.8°	140.3°
C2	C1	C4	C8	174.9°	40.0°
C2	C1	C7	H1	179.7°	180.0°
C1	C2	O12	H7	0.6°	90.0°
N5	C7	C1	H1	180.0°	179.9°
N5	C7	C1	C4	179.1°	180.0°
C7	C1	C4	N6	178.6°	39.7°
C7	C1	C4	C8	3.7°	140.1°
C1	C4	N6	C8	178.1°	179.8°
C1	C4	N6	C10	178.9°	179.7°
C1	C4	C8	C9	178.7°	180.0°
C4	C1	C7	H1	0.9°	0.1°
C1	C4	C8	H2	1.3°	0.1°
C1	C4	N6	H8	1.1°	0.3°
C4	N6	C10	H8	180.0°	180.0°
C4	N6	C10	C14	179.1°	179.7°
C4	N6	C10	C9	0.6°	0.3°
N6	C4	C8	C9	0.7°	0.2°
N6	C4	C8	H2	179.3°	179.7°
C10	N6	C4	C8	0.8°	0.0°
N6	C10	C14	C9	179.7°	179.4°
N6	C10	C14	C16	179.8°	179.3°
N6	C10	C9	C8	0.2°	0.4°
N6	C10	C9	C15	179.8°	179.9°
N6	C10	C14	H9	0.2°	0.6°
C4	C8	C9	C10	0.3°	0.4°
C4	C8	C9	H2	180.0°	179.9°
C4	C8	C9	C15	179.2°	180.0°
C8	C4	N6	H8	179.2°	179.9°
C10	C14	C16	H9	180.0°	179.9°
C14	C10	C9	C8	179.6°	180.0°
C14	C10	C9	C15	0.1°	0.4°
C10	C14	C16	N13	0.2°	0.5°
C14	C10	N6	H8	0.9°	0.2°
C10	C14	C16	H10	179.8°	180.0°
C9	C10	C14	C16	0.5°	0.1°
C10	C9	C8	C15	179.6°	179.6°
C10	C9	C15	N13	0.7°	0.5°
C10	C9	C8	H2	179.7°	179.6°
C10	C9	C15	H3	179.2°	179.5°
C9	C10	N6	H8	179.4°	179.7°
C9	C10	C14	H9	179.5°	180.0°
C14	C16	N13	H10	180.0°	179.4°
C14	C16	N13	C15	0.7°	0.5°
C8	C9	C15	N13	179.7°	180.0°
C8	C9	C15	H3	0.3°	0.1°
C9	C15	N13	C16	1.1°	0.1°
C9	C15	N13	H3	180.0°	180.0°
C15	C9	C8	H2	0.8°	0.1°
C16	N13	C15	H3	178.9°	179.9°
N13	C16	C14	H9	179.8°	179.6°
C15	N13	C16	H10	179.3°	179.9°
H4	C17	C19	H12	1.2°	0.2°
H5	C20	C21	H6	0.1°	0.3°
H5	C20	C18	H11	0.7°	0.0°
H6	C21	C19	H12	0.3°	0.5°
H9	C14	C16	H10	0.2°	0.2°

Release date:	2017-06-21
Definition date:	2017-06-06
Last modified:	2017-06-16
Release status:	REL
Processing site:	RCSB
Derived from:	5PB2