A1HZ3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.40Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C7	C12	sing	1.40Å	1.40Å	Aromatic
C7	C6	sing	1.48Å	1.47Å
C12	N2	sing	1.48Å	1.45Å
C6	C5	sing	1.52Å	1.50Å
C6	N3	doub	1.29Å	1.29Å
O5	C13	doub	1.21Å	1.24Å
C5	C4	sing	1.54Å	1.52Å
N2	O2	sing	1.22Å	1.22Å
N2	O3	doub	1.22Å	1.22Å
C13	N1	sing	1.34Å	1.38Å
C13	C4	sing	1.50Å	1.49Å
N3	O4	sing	1.42Å	1.42Å
N1	C1	sing	1.34Å	1.38Å
C4	O4	sing	1.43Å	1.49Å
C4	C3	sing	1.52Å	1.53Å
C1	O1	doub	1.21Å	1.21Å
C1	C2	sing	1.50Å	1.49Å
C2	C3	sing	1.53Å	1.54Å
N1	H1	sing	0.97Å	1.00Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	120.2°	120.2°
C9	C10	C11	120.8°	120.3°
C9	C10	H9	119.6°	119.9°
C10	C9	H10	119.9°	119.9°
C9	C8	C7	119.8°	119.8°
C8	C9	H10	119.9°	119.9°
C9	C8	H11	120.1°	120.1°
C10	C11	C12	119.6°	120.1°
C10	C11	H8	120.2°	119.9°
C11	C10	H9	119.6°	119.8°
C8	C7	C12	119.6°	119.7°
C8	C7	C6	119.3°	120.2°
C7	C8	H11	120.1°	120.1°
C11	C12	C7	119.8°	119.9°
C11	C12	N2	117.2°	120.1°
C12	C11	H8	120.2°	120.0°
C12	C7	C6	120.9°	120.2°
C7	C12	N2	123.0°	120.0°
C7	C6	C5	122.5°	125.8°
C7	C6	N3	123.2°	125.9°
C12	N2	O2	118.1°	119.9°
C12	N2	O3	118.7°	120.1°
C5	C6	N3	114.3°	108.2°
C6	C5	C4	102.2°	102.4°
C6	C5	H6	111.3°	110.8°
C6	C5	H7	111.2°	110.8°
C6	N3	O4	109.3°	112.9°
O5	C13	N1	121.9°	119.5°
O5	C13	C4	120.3°	119.5°
C5	C4	C13	109.1°	110.7°
C5	C4	O4	104.1°	102.6°
C5	C4	C3	111.8°	110.5°
C4	C5	H6	111.3°	110.8°
C4	C5	H7	111.3°	110.8°
O2	N2	O3	123.1°	120.0°
N1	C13	C4	117.5°	121.0°
C13	N1	C1	127.0°	122.3°
C13	N1	H1	116.5°	118.8°
C13	C4	O4	110.6°	111.1°
C13	C4	C3	110.2°	110.8°
N3	O4	C4	109.6°	107.4°
N1	C1	O1	120.0°	119.1°
N1	C1	C2	117.2°	121.8°
C1	N1	H1	116.5°	118.9°
O4	C4	C3	110.9°	110.9°
C4	C3	C2	111.4°	108.6°
C4	C3	H2	109.0°	109.6°
C4	C3	H3	109.0°	109.6°
O1	C1	C2	122.6°	119.1°
C1	C2	C3	112.8°	109.4°
C1	C2	H4	108.6°	109.4°
C1	C2	H5	108.6°	109.7°
C2	C3	H2	109.0°	109.6°
C2	C3	H3	109.0°	109.7°
C3	C2	H4	108.6°	109.5°
C3	C2	H5	108.6°	109.5°
H2	C3	H3	109.5°	109.6°
H4	C2	H5	109.5°	109.5°
H6	C5	H7	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H10	180.0°	179.7°
C9	C10	C11	H9	180.0°	179.9°
C10	C9	C8	C7	1.2°	0.6°
C9	C10	C11	C12	0.6°	0.1°
C9	C10	C11	H8	179.4°	179.9°
C10	C9	C8	H11	178.8°	180.0°
C8	C9	C10	C11	0.0°	0.4°
C9	C8	C7	H11	180.0°	179.4°
C9	C8	C7	C12	3.0°	0.6°
C9	C8	C7	C6	177.5°	179.8°
C8	C9	C10	H9	180.0°	179.7°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	C7	2.5°	0.0°
C10	C11	C12	N2	178.8°	179.9°
C11	C10	C9	H10	180.0°	179.9°
C8	C7	C12	C11	3.7°	0.3°
C8	C7	C12	C6	174.4°	179.7°
C8	C7	C12	N2	177.7°	179.7°
C8	C7	C6	C5	71.6°	113.0°
C8	C7	C6	N3	109.7°	66.9°
C7	C8	C9	H10	178.8°	179.7°
C11	C12	C7	N2	178.6°	180.0°
C11	C12	C7	C6	178.1°	180.0°
C11	C12	N2	O2	16.7°	6.9°
C11	C12	N2	O3	160.1°	173.1°
C12	C11	C10	H9	179.4°	180.0°
C12	C7	C6	C5	102.9°	67.3°
C12	C7	C6	N3	75.9°	112.7°
C7	C12	N2	O2	161.9°	173.1°
C7	C12	N2	O3	21.2°	6.8°
C7	C12	C11	H8	177.5°	180.0°
C12	C7	C8	H11	176.9°	180.0°
C6	C7	C12	N2	3.3°	0.0°
C7	C6	C5	N3	178.9°	180.0°
C7	C6	C5	C4	174.8°	165.2°
C7	C6	N3	O4	178.2°	179.7°
C7	C6	C5	H6	66.3°	47.0°
C7	C6	C5	H7	56.0°	76.6°
C6	C7	C8	H11	2.4°	0.3°
C12	N2	O2	O3	176.7°	179.9°
N2	C12	C11	H8	1.2°	0.0°
C6	C5	C4	H6	118.8°	118.2°
C6	C5	C4	H7	118.8°	118.2°
C6	C5	C4	C13	111.4°	95.3°
C5	C6	N3	O4	3.0°	0.3°
C6	C5	C4	O4	6.7°	23.4°
C6	C5	C4	C3	126.4°	141.6°
C6	C5	H6	H7	123.3°	123.6°
N3	C6	C5	C4	6.3°	14.7°
C6	N3	O4	C4	1.9°	16.7°
N3	C6	C5	H6	112.5°	132.9°
N3	C6	C5	H7	125.2°	103.5°
O5	C13	C4	C5	85.5°	29.5°
O5	C13	N1	C4	174.2°	179.7°
O5	C13	N1	C1	178.1°	179.7°
O5	C13	C4	O4	28.4°	83.8°
O5	C13	C4	C3	151.4°	152.5°
O5	C13	N1	H1	1.9°	0.1°
C5	C4	C13	N1	88.7°	150.8°
C5	C4	C13	O4	113.9°	113.3°
C5	C4	C13	C3	123.1°	122.9°
C5	C4	O4	N3	5.6°	24.5°
C5	C4	O4	C3	120.3°	117.9°
C5	C4	C3	C2	66.9°	176.8°
C5	C4	C3	H2	172.8°	63.5°
C5	C4	C3	H3	53.4°	56.9°
C4	C5	H6	H7	123.4°	123.5°
C13	N1	C1	H1	180.0°	179.9°
N1	C13	C4	O4	157.4°	95.9°
N1	C13	C4	C3	34.3°	27.9°
C13	N1	C1	O1	174.6°	178.3°
C13	N1	C1	C2	1.1°	1.7°
C13	C4	O4	N3	111.4°	93.8°
C4	C13	N1	C1	7.7°	0.6°
C13	C4	O4	C3	122.6°	123.8°
C13	C4	C3	C2	54.6°	53.7°
C4	C13	N1	H1	172.3°	179.6°
C13	C4	C3	H2	65.7°	173.5°
C13	C4	C3	H3	174.9°	66.1°
C13	C4	C5	H6	129.7°	23.0°
C13	C4	C5	H7	7.4°	146.5°
N3	O4	C4	C3	125.9°	142.4°
N1	C1	O1	C2	175.4°	180.0°
N1	C1	C2	C3	22.2°	29.5°
N1	C1	C2	H4	98.3°	90.3°
N1	C1	C2	H5	142.7°	149.6°
O4	C4	C3	C2	177.4°	70.2°
O4	C4	C3	H2	57.2°	49.6°
O4	C4	C3	H3	62.3°	169.9°
O4	C4	C5	H6	112.2°	141.6°
O4	C4	C5	H7	125.5°	94.8°
C4	C3	C2	C1	49.1°	54.0°
C4	C3	C2	H2	120.3°	119.8°
C4	C3	C2	H3	120.3°	119.8°
C4	C3	H2	H3	119.1°	120.3°
C4	C3	C2	H4	71.4°	65.8°
C4	C3	C2	H5	169.6°	174.2°
C3	C4	C5	H6	7.6°	100.2°
C3	C4	C5	H7	114.8°	23.4°
O1	C1	C2	C3	153.4°	150.5°
O1	C1	N1	H1	5.4°	1.6°
O1	C1	C2	H4	86.2°	89.6°
O1	C1	C2	H5	32.9°	30.4°
C1	C2	C3	H4	120.5°	119.8°
C1	C2	C3	H5	120.5°	120.2°
C2	C1	N1	H1	178.9°	178.4°
C1	C2	C3	H2	71.2°	173.8°
C1	C2	C3	H3	169.4°	65.7°
C1	C2	H4	H5	118.5°	120.2°
C2	C3	H2	H3	119.1°	120.5°
C3	C2	H4	H5	118.5°	120.0°
H2	C3	C2	H4	168.4°	54.0°
H2	C3	C2	H5	49.3°	66.0°
H3	C3	C2	H4	48.9°	174.5°
H3	C3	C2	H5	70.1°	54.4°
H8	C11	C10	H9	0.6°	0.0°
H9	C10	C9	H10	0.0°	0.0°
H10	C9	C8	H11	1.2°	0.3°

Release date:	2024-04-10
Definition date:	2023-12-12
Last modified:	2024-04-05
Release status:	REL
Processing site:	PDBE
Derived from:	8RDR