A1A9D

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C2	sing	1.55Å	1.50Å
C3	C4	sing	1.55Å	1.53Å
C2	C1	sing	1.53Å	1.51Å
C2	C11	sing	1.54Å	1.55Å
O1	C12	sing	1.43Å	1.40Å
C12	C11	sing	1.53Å	1.57Å
C11	N1	sing	1.48Å	1.48Å
C4	N1	sing	1.49Å	1.47Å
N1	C5	sing	1.38Å	1.43Å
C5	N2	doub	1.33Å	1.37Å	Aromatic
C5	C8	sing	1.40Å	1.44Å	Aromatic
C9	C8	sing	1.46Å	1.45Å	Aromatic
C9	C10	doub	1.34Å	1.38Å	Aromatic
N2	C6	sing	1.32Å	1.39Å	Aromatic
C8	C7	doub	1.41Å	1.41Å	Aromatic
C10	N4	sing	1.37Å	1.42Å	Aromatic
C6	N3	doub	1.32Å	1.33Å	Aromatic
C7	N4	sing	1.37Å	1.41Å	Aromatic
C7	N3	sing	1.33Å	1.37Å	Aromatic
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C6	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
C12	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C10	H12	sing	1.08Å	1.08Å
C11	H2	sing	1.09Å	1.10Å
C2	H1	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
N4	H13	sing	0.97Å	1.00Å
O1	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C3	C4	100.3°	102.9°
C3	C2	C1	107.7°	110.3°
C3	C2	C11	105.1°	105.2°
C2	C3	H6	111.7°	110.7°
C2	C3	H7	111.7°	110.7°
C3	C2	H1	111.5°	110.3°
C3	C4	N1	108.1°	103.2°
C4	C3	H6	111.7°	110.7°
C4	C3	H7	111.7°	110.7°
C3	C4	H9	109.8°	110.7°
C3	C4	H8	109.8°	110.6°
C1	C2	C11	110.1°	110.3°
C2	C1	H3	109.5°	109.5°
C2	C1	H4	109.5°	109.5°
C2	C1	H5	109.5°	109.5°
C1	C2	H1	111.3°	110.3°
C2	C11	C12	111.8°	110.0°
C2	C11	N1	105.5°	107.1°
C2	C11	H2	109.2°	110.1°
C11	C2	H1	110.8°	110.4°
O1	C12	C11	111.0°	109.5°
O1	C12	H14	109.1°	109.4°
O1	C12	H15	109.1°	109.5°
C12	O1	H16	109.5°	114.0°
C12	C11	N1	111.3°	109.9°
C11	C12	H14	109.1°	109.5°
C11	C12	H15	109.1°	109.5°
C12	C11	H2	108.9°	109.9°
C11	N1	C4	106.6°	105.8°
C11	N1	C5	124.3°	111.0°
N1	C11	H2	110.1°	109.8°
C4	N1	C5	122.2°	111.0°
N1	C4	H9	109.8°	110.7°
N1	C4	H8	109.8°	110.6°
N1	C5	N2	120.0°	120.9°
N1	C5	C8	122.0°	120.8°
N2	C5	C8	118.0°	118.3°
C5	N2	C6	120.8°	121.1°
C5	C8	C9	141.4°	135.1°
C5	C8	C7	114.0°	118.7°
C8	C9	C10	109.5°	106.8°
C9	C8	C7	104.6°	106.2°
C8	C9	H11	125.2°	126.6°
C9	C10	N4	108.7°	109.8°
C10	C9	H11	125.3°	126.6°
C9	C10	H12	125.6°	125.1°
N2	C6	N3	126.3°	122.7°
N2	C6	H10	116.8°	118.7°
C8	C7	N4	110.6°	107.2°
C8	C7	N3	129.6°	118.5°
C10	N4	C7	106.6°	110.0°
N4	C10	H12	125.6°	125.1°
C10	N4	H13	126.7°	125.0°
C6	N3	C7	111.3°	120.7°
N3	C6	H10	116.8°	118.6°
N4	C7	N3	119.8°	134.3°
C7	N4	H13	126.7°	125.0°
H6	C3	H7	109.5°	110.8°
H14	C12	H15	109.5°	109.5°
H3	C1	H4	109.5°	109.4°
H3	C1	H5	109.5°	109.4°
H4	C1	H5	109.4°	109.5°
H9	C4	H8	109.5°	110.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C3	C4	H6	118.5°	118.3°
C2	C3	C4	H7	118.5°	118.4°
C3	C2	C1	C11	114.1°	115.7°
C3	C2	C1	H1	122.6°	122.0°
C3	C2	C11	H1	120.6°	118.9°
C3	C2	C11	C12	94.4°	120.6°
C3	C2	C11	N1	26.8°	1.2°
C2	C3	C4	N1	35.1°	37.4°
C2	C3	H6	H7	124.3°	123.3°
C3	C2	C1	H3	180.0°	61.4°
C3	C2	C1	H4	60.0°	178.6°
C3	C2	C1	H5	60.0°	58.5°
C3	C2	C11	H2	145.0°	118.2°
C2	C3	C4	H9	154.9°	155.8°
C2	C3	C4	H8	84.7°	81.0°
C4	C3	C2	C1	80.7°	97.0°
C4	C3	C2	C11	36.7°	21.9°
C3	C4	N1	C11	19.2°	39.1°
C3	C4	N1	H9	119.8°	118.5°
C3	C4	N1	H8	119.8°	118.4°
C3	C4	N1	C5	171.1°	159.7°
C4	C3	H6	H7	124.3°	123.3°
C4	C3	C2	H1	156.8°	141.0°
C3	C4	H9	H8	120.7°	123.1°
C1	C2	C11	H1	123.6°	122.1°
C1	C2	C11	C12	149.8°	120.5°
C1	C2	C11	N1	89.0°	120.1°
C1	C2	C3	H6	160.8°	144.7°
C1	C2	C3	H7	37.8°	21.4°
C2	C1	H3	H4	120.0°	120.0°
C2	C1	H3	H5	120.0°	120.0°
C2	C1	H4	H5	120.0°	120.1°
C1	C2	C11	H2	29.3°	0.7°
C2	C11	C12	O1	61.1°	175.9°
C2	C11	C12	N1	117.8°	117.6°
C2	C11	C12	H2	120.7°	121.4°
C2	C11	N1	H2	117.7°	119.5°
C2	C11	N1	C4	4.4°	25.3°
C2	C11	N1	C5	146.6°	145.8°
C11	C2	C3	H6	81.8°	96.4°
C11	C2	C3	H7	155.2°	140.3°
C2	C11	C12	H14	178.7°	56.0°
C2	C11	C12	H15	59.2°	64.0°
C11	C2	C1	H3	65.9°	177.2°
C11	C2	C1	H4	54.1°	62.8°
C11	C2	C1	H5	174.1°	57.2°
O1	C12	C11	H14	120.3°	120.0°
O1	C12	C11	H15	120.2°	120.1°
O1	C12	C11	N1	178.8°	66.4°
O1	C12	H14	H15	119.3°	120.0°
O1	C12	C11	H2	59.7°	54.6°
C12	C11	N1	H2	120.8°	121.0°
C12	C11	N1	C4	117.1°	144.7°
C12	C11	N1	C5	91.8°	94.7°
C11	C12	H14	H15	119.3°	120.0°
C12	C11	C2	H1	26.2°	1.6°
C11	C12	O1	H16	180.0°	180.0°
C11	N1	C4	C5	151.8°	120.6°
C11	N1	C5	N2	13.2°	0.0°
C11	N1	C5	C8	166.4°	180.0°
N1	C11	C12	H14	60.9°	173.6°
N1	C11	C12	H15	58.6°	53.6°
N1	C11	C2	H1	147.4°	117.7°
C11	N1	C4	H9	139.0°	157.6°
C11	N1	C4	H8	100.6°	79.2°
C4	N1	C5	N2	160.0°	117.4°
C4	N1	C5	C8	19.6°	62.6°
N1	C4	C3	H6	83.4°	81.0°
N1	C4	C3	H7	153.6°	155.7°
C4	N1	C11	H2	122.1°	94.3°
N1	C4	H9	H8	120.6°	123.1°
N1	C5	N2	C8	179.6°	180.0°
N1	C5	C8	C9	1.2°	0.0°
N1	C5	N2	C6	179.8°	180.0°
N1	C5	C8	C7	179.9°	180.0°
C5	N1	C11	H2	29.0°	26.3°
C5	N1	C4	H9	69.1°	81.8°
C5	N1	C4	H8	51.3°	41.3°
N2	C5	C8	C9	179.2°	180.0°
N2	C5	C8	C7	0.5°	0.0°
C5	N2	C6	N3	0.8°	0.0°
C5	N2	C6	H10	179.2°	180.0°
C5	C8	C9	C7	178.8°	180.0°
C5	C8	C9	C10	179.3°	180.0°
C8	C5	N2	C6	0.6°	0.0°
C5	C8	C7	N4	179.6°	180.0°
C5	C8	C7	N3	0.7°	0.0°
C5	C8	C9	H11	0.7°	0.0°
C8	C9	C10	H11	180.0°	180.0°
C8	C9	C10	N4	0.4°	0.0°
C9	C8	C7	N4	0.5°	0.0°
C9	C8	C7	N3	179.9°	180.0°
C8	C9	C10	H12	179.5°	180.0°
C10	C9	C8	C7	0.6°	0.0°
C9	C10	N4	H12	180.0°	180.0°
C9	C10	N4	C7	0.2°	0.0°
C9	C10	N4	H13	179.8°	180.0°
N2	C6	N3	H10	180.0°	180.0°
N2	C6	N3	C7	0.8°	0.0°
C8	C7	N4	C10	0.2°	0.0°
C8	C7	N3	C6	0.8°	0.0°
C8	C7	N4	N3	179.7°	180.0°
C7	C8	C9	H11	179.4°	180.0°
C8	C7	N4	H13	179.8°	180.0°
C10	N4	C7	H13	180.0°	180.0°
C10	N4	C7	N3	179.9°	180.0°
N4	C10	C9	H11	179.5°	180.0°
C6	N3	C7	N4	179.5°	180.0°
C7	N4	C10	H12	179.8°	180.0°
C7	N3	C6	H10	179.2°	180.0°
N3	C7	N4	H13	0.1°	0.0°
H6	C3	C2	H1	38.3°	22.7°
H6	C3	C4	H9	36.4°	37.5°
H6	C3	C4	H8	156.9°	160.7°
H7	C3	C2	H1	84.7°	100.7°
H7	C3	C4	H9	86.6°	85.8°
H7	C3	C4	H8	33.8°	37.4°
H11	C9	C10	H12	0.5°	0.0°
H14	C12	C11	H2	60.6°	65.4°
H14	C12	O1	H16	59.8°	60.0°
H15	C12	C11	H2	179.9°	174.6°
H15	C12	O1	H16	59.8°	60.0°
H3	C1	H4	H5	120.0°	119.9°
H3	C1	C2	H1	57.4°	60.6°
H4	C1	C2	H1	177.5°	59.4°
H5	C1	C2	H1	62.6°	179.5°
H12	C10	N4	H13	0.2°	0.1°
H2	C11	C2	H1	94.4°	122.9°

Release date:	2025-06-11
Definition date:	2024-09-23
Last modified:	2025-06-06
Release status:	REL
Processing site:	RCSB
Derived from:	7HE1