N9R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C14	doub	1.33Å	1.52Å
C14	C13	sing	1.47Å	1.51Å
C13	N2	sing	1.35Å	1.34Å
C13	O1	doub	1.22Å	1.22Å
N2	C12	sing	1.39Å	1.37Å
C12	N3	sing	1.33Å	1.35Å	Aromatic
C12	C11	doub	1.39Å	1.41Å	Aromatic
N3	C16	doub	1.32Å	1.35Å	Aromatic
C11	C10	sing	1.40Å	1.39Å	Aromatic
C16	N4	sing	1.32Å	1.35Å	Aromatic
C10	N4	doub	1.33Å	1.35Å	Aromatic
C10	C9	sing	1.48Å	1.49Å
C9	C8	doub	1.36Å	1.40Å	Aromatic
C9	C2	sing	1.47Å	1.39Å	Aromatic
C8	N1	sing	1.36Å	1.35Å	Aromatic
C2	C1	sing	1.39Å	1.41Å	Aromatic
C2	C3	doub	1.41Å	1.41Å	Aromatic
N1	C7	sing	1.46Å	1.48Å
N1	C3	sing	1.38Å	1.35Å	Aromatic
C1	C6	doub	1.37Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.40Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
N2	H13	sing	0.97Å	1.00Å
C11	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C1	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C14	C13	114.6°	120.0°
C14	C15	H8	120.0°	120.0°
C14	C15	H9	120.0°	120.0°
C15	C14	H11	122.7°	120.0°
C14	C13	N2	120.0°	120.0°
C14	C13	O1	117.0°	120.1°
C13	C14	H11	122.7°	120.0°
N2	C13	O1	123.0°	120.0°
C13	N2	C12	122.9°	120.0°
C13	N2	H13	118.5°	120.0°
N2	C12	N3	118.0°	120.4°
N2	C12	C11	123.6°	120.5°
C12	N2	H13	118.6°	119.9°
N3	C12	C11	118.4°	119.0°
C12	N3	C16	119.4°	121.0°
C12	C11	C10	120.3°	118.2°
C12	C11	H14	119.8°	120.8°
N3	C16	N4	123.5°	122.0°
N3	C16	H15	118.3°	119.0°
C11	C10	N4	119.2°	119.0°
C11	C10	C9	119.4°	120.5°
C10	C11	H14	119.8°	120.9°
C16	N4	C10	119.1°	120.8°
N4	C16	H15	118.3°	119.0°
N4	C10	C9	121.1°	120.5°
C10	C9	C8	128.3°	126.7°
C10	C9	C2	125.5°	126.7°
C8	C9	C2	105.9°	106.6°
C9	C8	N1	109.5°	109.8°
C9	C8	H7	125.3°	125.1°
C9	C2	C1	130.0°	134.0°
C9	C2	C3	107.3°	105.9°
C8	N1	C7	124.2°	124.9°
C8	N1	C3	109.0°	110.2°
N1	C8	H7	125.3°	125.1°
C1	C2	C3	122.7°	120.1°
C2	C1	C6	118.9°	119.7°
C2	C1	H16	120.5°	120.1°
C2	C3	N1	108.3°	107.4°
C2	C3	C4	117.8°	119.2°
C7	N1	C3	126.7°	124.9°
N1	C7	H4	109.5°	109.4°
N1	C7	H5	109.5°	109.5°
N1	C7	H6	109.5°	109.5°
N1	C3	C4	133.9°	133.3°
C1	C6	C5	119.0°	120.5°
C1	C6	H3	120.5°	119.7°
C6	C1	H16	120.5°	120.1°
C3	C4	C5	119.8°	119.8°
C3	C4	H1	120.1°	120.0°
C6	C5	C4	121.9°	120.7°
C6	C5	H2	119.1°	119.7°
C5	C6	H3	120.5°	119.8°
C5	C4	H1	120.2°	120.1°
C4	C5	H2	119.1°	119.7°
H4	C7	H5	109.4°	109.5°
H4	C7	H6	109.5°	109.5°
H5	C7	H6	109.5°	109.5°
H8	C15	H9	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C14	C13	H11	180.0°	179.9°
C15	C14	C13	N2	56.5°	180.0°
C15	C14	C13	O1	124.6°	0.1°
C14	C15	H8	H9	180.0°	180.0°
C14	C13	N2	O1	178.9°	179.9°
C14	C13	N2	C12	178.0°	174.9°
C13	C14	C15	H8	0.0°	179.9°
C13	C14	C15	H9	180.0°	0.0°
C14	C13	N2	H13	2.0°	5.0°
C13	N2	C12	H13	180.0°	179.9°
C13	N2	C12	N3	174.1°	5.1°
C13	N2	C12	C11	4.0°	174.9°
N2	C13	C14	H11	123.5°	0.1°
O1	C13	N2	C12	0.9°	5.1°
O1	C13	C14	H11	55.5°	180.0°
O1	C13	N2	H13	179.1°	174.9°
N2	C12	N3	C11	178.2°	180.0°
N2	C12	N3	C16	179.3°	180.0°
N2	C12	C11	C10	176.2°	180.0°
N2	C12	C11	H14	3.8°	0.0°
N3	C12	C11	C10	1.9°	0.0°
C12	N3	C16	N4	1.3°	0.1°
N3	C12	N2	H13	5.9°	174.9°
N3	C12	C11	H14	178.1°	179.9°
C12	N3	C16	H15	178.7°	180.0°
C11	C12	N3	C16	1.1°	0.1°
C12	C11	C10	H14	180.0°	179.9°
C12	C11	C10	N4	4.8°	0.1°
C12	C11	C10	C9	178.1°	179.9°
C11	C12	N2	H13	175.9°	5.0°
N3	C16	N4	H15	180.0°	180.0°
N3	C16	N4	C10	1.5°	0.0°
C11	C10	N4	C16	4.5°	0.1°
C11	C10	N4	C9	173.3°	179.9°
C11	C10	C9	C8	5.5°	0.1°
C11	C10	C9	C2	168.7°	179.9°
C16	N4	C10	C9	177.8°	180.0°
N4	C10	C9	C8	178.7°	180.0°
N4	C10	C9	C2	4.6°	0.1°
N4	C10	C11	H14	175.2°	180.0°
C10	N4	C16	H15	178.5°	179.9°
C10	C9	C8	C2	175.0°	180.0°
C10	C9	C8	N1	176.3°	179.9°
C10	C9	C2	C1	4.0°	0.0°
C10	C9	C2	C3	176.3°	179.7°
C10	C9	C8	H7	3.7°	0.1°
C9	C10	C11	H14	1.9°	0.1°
C9	C8	N1	H7	180.0°	180.0°
C8	C9	C2	C1	179.3°	180.0°
C8	C9	C2	C3	1.0°	0.2°
C9	C8	N1	C7	179.6°	180.0°
C9	C8	N1	C3	1.0°	0.2°
C2	C9	C8	N1	1.3°	0.0°
C9	C2	C1	C3	179.7°	179.7°
C9	C2	C3	N1	0.4°	0.3°
C9	C2	C1	C6	179.0°	180.0°
C9	C2	C3	C4	179.7°	179.8°
C2	C9	C8	H7	178.7°	180.0°
C9	C2	C1	H16	1.0°	0.0°
C8	N1	C3	C2	0.4°	0.3°
C8	N1	C7	C3	179.2°	179.7°
C8	N1	C3	C4	179.4°	179.8°
C8	N1	C7	H4	180.0°	89.7°
C8	N1	C7	H5	60.0°	30.3°
C8	N1	C7	H6	60.0°	150.3°
C1	C2	C3	N1	179.8°	179.8°
C2	C1	C6	H16	180.0°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C2	C1	C6	C5	0.7°	0.7°
C2	C1	C6	H3	179.3°	179.8°
C2	C3	N1	C7	179.7°	179.9°
C2	C3	N1	C4	179.8°	179.8°
C3	C2	C1	C6	0.6°	0.3°
C2	C3	C4	C5	0.5°	0.2°
C2	C3	C4	H1	179.5°	179.5°
C3	C2	C1	H16	179.4°	179.8°
C7	N1	C3	C4	0.1°	0.1°
N1	C7	H4	H5	120.0°	120.0°
N1	C7	H4	H6	120.0°	120.0°
N1	C7	H5	H6	120.0°	120.0°
C7	N1	C8	H7	0.4°	0.0°
N1	C3	C4	C5	179.7°	180.0°
N1	C3	C4	H1	0.3°	0.7°
C3	N1	C7	H4	0.8°	90.0°
C3	N1	C7	H5	120.7°	150.0°
C3	N1	C7	H6	119.3°	30.0°
C3	N1	C8	H7	178.9°	179.8°
C1	C6	C5	H3	180.0°	179.1°
C1	C6	C5	C4	0.2°	0.9°
C1	C6	C5	H2	179.8°	179.0°
C3	C4	C5	C6	0.4°	0.6°
C3	C4	C5	H1	180.0°	179.3°
C3	C4	C5	H2	179.6°	179.3°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	179.6°	179.9°
C5	C6	C1	H16	179.3°	179.3°
C4	C5	C6	H3	179.8°	180.0°
H1	C4	C5	H2	0.4°	0.0°
H2	C5	C6	H3	0.2°	0.1°
H3	C6	C1	H16	0.7°	0.2°
H4	C7	H5	H6	120.0°	120.0°
H8	C15	C14	H11	180.0°	0.0°
H9	C15	C14	H11	0.0°	179.9°

Release date:	2023-12-13
Definition date:	2023-01-11
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ
Derived from:	8HVA