A1HZ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.39Å	1.40Å	Aromatic
C8	C7	doub	1.40Å	1.40Å	Aromatic
C12	C7	sing	1.40Å	1.40Å	Aromatic
C12	O2	sing	1.36Å	1.37Å
C7	C6	sing	1.48Å	1.47Å
C13	O2	sing	1.43Å	1.43Å
C6	C5	sing	1.52Å	1.50Å
C6	N2	doub	1.29Å	1.28Å
C5	C4	sing	1.54Å	1.53Å
O4	C14	doub	1.21Å	1.22Å
C14	N1	sing	1.34Å	1.37Å
C14	C4	sing	1.50Å	1.53Å
N2	O3	sing	1.42Å	1.42Å
N1	C1	sing	1.34Å	1.38Å
C4	O3	sing	1.43Å	1.47Å
C4	C3	sing	1.52Å	1.52Å
C1	O1	doub	1.21Å	1.22Å
C1	C2	sing	1.51Å	1.50Å
C2	C3	sing	1.53Å	1.52Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C3	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
N1	H13	sing	0.97Å	1.00Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	120.8°	120.4°
C10	C9	C8	119.6°	120.3°
C9	C10	H4	119.6°	119.8°
C10	C9	H11	120.2°	119.8°
C10	C11	C12	120.3°	120.1°
C11	C10	H4	119.6°	119.8°
C10	C11	H12	119.8°	119.9°
C9	C8	C7	121.0°	119.9°
C9	C8	H3	119.5°	120.1°
C8	C9	H11	120.2°	119.9°
C11	C12	C7	119.7°	119.7°
C11	C12	O2	124.1°	120.1°
C12	C11	H12	119.8°	120.0°
C8	C7	C12	118.6°	119.7°
C8	C7	C6	120.0°	120.2°
C7	C8	H3	119.5°	120.1°
C7	C12	O2	116.2°	120.2°
C12	C7	C6	121.4°	120.2°
C12	O2	C13	118.7°	117.0°
C7	C6	C5	124.6°	125.9°
C7	C6	N2	121.9°	125.9°
O2	C13	H5	109.5°	109.5°
O2	C13	H6	109.5°	109.5°
O2	C13	H7	109.5°	109.5°
C5	C6	N2	113.5°	108.3°
C6	C5	C4	101.6°	102.4°
C6	C5	H1	111.4°	110.9°
C6	C5	H2	111.4°	111.0°
C6	N2	O3	109.7°	112.9°
C5	C4	C14	111.6°	110.7°
C5	C4	O3	103.6°	102.6°
C5	C4	C3	113.2°	110.5°
C4	C5	H1	111.4°	110.8°
C4	C5	H2	111.4°	110.8°
O4	C14	N1	121.1°	119.6°
O4	C14	C4	121.1°	119.4°
N1	C14	C4	117.8°	121.0°
C14	N1	C1	127.5°	122.3°
C14	N1	H13	116.2°	118.8°
C14	C4	O3	110.4°	111.1°
C14	C4	C3	110.6°	110.8°
N2	O3	C4	109.6°	107.4°
N1	C1	O1	120.8°	119.2°
N1	C1	C2	117.0°	121.7°
C1	N1	H13	116.2°	118.9°
O3	C4	C3	107.1°	110.9°
C4	C3	C2	113.0°	108.7°
C4	C3	H9	108.6°	109.6°
C4	C3	H10	108.6°	109.5°
O1	C1	C2	122.1°	119.1°
C1	C2	C3	113.7°	109.3°
C1	C2	H14	108.4°	109.5°
C1	C2	H15	108.4°	109.5°
C2	C3	H9	108.6°	109.6°
C2	C3	H10	108.6°	109.7°
C3	C2	H14	108.4°	109.5°
C3	C2	H15	108.4°	109.5°
H1	C5	H2	109.4°	110.7°
H5	C13	H6	109.5°	109.4°
H5	C13	H7	109.5°	109.5°
H6	C13	H7	109.5°	109.5°
H9	C3	H10	109.5°	109.6°
H14	C2	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H4	180.0°	179.8°
C10	C9	C8	H11	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.2°
C10	C9	C8	C7	0.1°	0.1°
C10	C9	C8	H3	179.9°	180.0°
C9	C10	C11	H12	179.8°	180.0°
C11	C10	C9	C8	0.3°	0.2°
C10	C11	C12	H12	180.0°	179.8°
C10	C11	C12	C7	0.1°	0.0°
C10	C11	C12	O2	179.3°	180.0°
C11	C10	C9	H11	179.8°	179.8°
C9	C8	C7	H3	180.0°	180.0°
C9	C8	C7	C12	0.2°	0.3°
C9	C8	C7	C6	179.8°	180.0°
C8	C9	C10	H4	179.8°	180.0°
C11	C12	C7	C8	0.3°	0.2°
C11	C12	C7	O2	179.2°	180.0°
C11	C12	C7	C6	179.8°	180.0°
C11	C12	O2	C13	21.5°	0.0°
C12	C11	C10	H4	179.8°	180.0°
C8	C7	C12	C6	179.6°	179.7°
C8	C7	C12	O2	179.5°	179.8°
C8	C7	C6	C5	5.7°	0.0°
C8	C7	C6	N2	173.6°	180.0°
C7	C8	C9	H11	179.9°	180.0°
C7	C12	O2	C13	159.3°	180.0°
C12	C7	C6	C5	174.8°	179.7°
C12	C7	C6	N2	5.9°	0.3°
C12	C7	C8	H3	179.8°	179.8°
C7	C12	C11	H12	179.9°	179.8°
O2	C12	C7	C6	1.0°	0.0°
C12	O2	C13	H5	180.0°	60.0°
C12	O2	C13	H6	60.0°	60.0°
C12	O2	C13	H7	60.0°	180.0°
O2	C12	C11	H12	0.7°	0.2°
C7	C6	C5	N2	179.3°	180.0°
C7	C6	C5	C4	166.6°	165.2°
C7	C6	N2	O3	173.2°	179.7°
C7	C6	C5	H1	74.6°	47.0°
C7	C6	C5	H2	47.9°	76.5°
C6	C7	C8	H3	0.3°	0.1°
O2	C13	H5	H6	120.0°	120.0°
O2	C13	H5	H7	120.0°	120.0°
O2	C13	H6	H7	120.0°	120.0°
C6	C5	C4	H1	118.7°	118.2°
C6	C5	C4	H2	118.7°	118.4°
C6	C5	C4	C14	105.4°	95.1°
C5	C6	N2	O3	6.1°	0.3°
C6	C5	C4	O3	13.4°	23.5°
C6	C5	C4	C3	129.0°	141.7°
C6	C5	H1	H2	123.6°	123.6°
N2	C6	C5	C4	12.7°	14.8°
C6	N2	O3	C4	3.6°	16.8°
N2	C6	C5	H1	106.1°	133.0°
N2	C6	C5	H2	131.4°	103.5°
C5	C4	C14	O4	80.1°	29.6°
C5	C4	C14	N1	97.4°	150.3°
C5	C4	C14	O3	114.7°	113.3°
C5	C4	C14	C3	127.0°	123.0°
C5	C4	O3	N2	11.2°	24.6°
C5	C4	O3	C3	119.9°	118.0°
C5	C4	C3	C2	76.7°	176.7°
C4	C5	H1	H2	123.7°	123.4°
C5	C4	C3	H9	162.8°	63.5°
C5	C4	C3	H10	43.9°	56.8°
O4	C14	N1	C4	177.4°	180.0°
O4	C14	N1	C1	175.5°	179.9°
O4	C14	C4	O3	34.6°	83.7°
O4	C14	C4	C3	152.9°	152.6°
O4	C14	N1	H13	4.5°	0.1°
C14	N1	C1	H13	180.0°	180.0°
N1	C14	C4	O3	147.9°	96.4°
N1	C14	C4	C3	29.6°	27.4°
C14	N1	C1	O1	177.2°	178.4°
C14	N1	C1	C2	3.8°	1.6°
C14	C4	O3	N2	108.5°	93.7°
C4	C14	N1	C1	7.0°	0.1°
C14	C4	O3	C3	120.5°	123.7°
C14	C4	C3	C2	49.5°	53.6°
C14	C4	C5	H1	135.9°	23.1°
C14	C4	C5	H2	13.3°	146.4°
C14	C4	C3	H9	71.0°	173.4°
C14	C4	C3	H10	170.0°	66.3°
C4	C14	N1	H13	172.9°	179.9°
N2	O3	C4	C3	131.0°	142.6°
N1	C1	O1	C2	179.0°	179.9°
N1	C1	C2	C3	24.1°	29.7°
N1	C1	C2	H14	96.5°	90.2°
N1	C1	C2	H15	144.7°	149.6°
O3	C4	C3	C2	169.8°	70.3°
O3	C4	C5	H1	105.4°	141.7°
O3	C4	C5	H2	132.1°	94.9°
O3	C4	C3	H9	49.3°	49.5°
O3	C4	C3	H10	69.7°	169.8°
C4	C3	C2	C1	47.7°	54.2°
C4	C3	C2	H9	120.5°	119.8°
C4	C3	C2	H10	120.5°	119.7°
C3	C4	C5	H1	10.2°	100.0°
C3	C4	C5	H2	112.3°	23.3°
C4	C3	H9	H10	118.4°	120.3°
C4	C3	C2	H14	72.9°	65.7°
C4	C3	C2	H15	168.4°	174.2°
O1	C1	C2	C3	156.9°	150.3°
O1	C1	N1	H13	2.8°	1.6°
O1	C1	C2	H14	82.5°	89.8°
O1	C1	C2	H15	36.3°	30.3°
C1	C2	C3	H14	120.6°	119.9°
C1	C2	C3	H15	120.6°	120.0°
C1	C2	C3	H9	72.8°	174.0°
C1	C2	C3	H10	168.2°	65.6°
C2	C1	N1	H13	176.2°	178.4°
C1	C2	H14	H15	118.1°	120.1°
C2	C3	H9	H10	118.4°	120.5°
C3	C2	H14	H15	118.1°	120.1°
H3	C8	C9	H11	0.1°	0.0°
H4	C10	C9	H11	0.2°	0.1°
H4	C10	C11	H12	0.1°	0.2°
H5	C13	H6	H7	120.0°	120.0°
H9	C3	C2	H14	166.6°	54.0°
H9	C3	C2	H15	47.8°	66.1°
H10	C3	C2	H14	47.6°	174.5°
H10	C3	C2	H15	71.2°	54.4°

Release date:	2024-04-10
Definition date:	2023-12-13
Last modified:	2024-04-05
Release status:	REL
Processing site:	PDBE
Derived from:	8RDS