A1BQB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.34Å
O	C	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.52Å
C1	C2	sing	1.54Å	1.55Å
C2	C3	sing	1.53Å	1.53Å
C3	C4	sing	1.53Å	1.52Å
C4	N1	sing	1.47Å	1.48Å
N1	C5	sing	1.35Å	1.35Å
C5	O1	doub	1.21Å	1.21Å
C6	C5	sing	1.51Å	1.53Å
C6	C7	sing	1.54Å	1.57Å
C7	C8	sing	1.54Å	1.52Å
C8	C9	sing	1.51Å	1.50Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.39Å	Aromatic
O2	C13	sing	1.36Å	1.36Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C9	C14	sing	1.38Å	1.39Å	Aromatic
C14	C6	sing	1.51Å	1.52Å
C15	N1	sing	1.47Å	1.46Å
C1	C15	sing	1.53Å	1.53Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C6	H1	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C15	H19	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C1	H	sing	1.09Å	1.10Å
N	H3	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
O2	H17	sing	0.97Å	0.95Å
C12	H16	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	O	123.1°	120.0°
N	C	C1	115.7°	120.0°
C	N	H3	120.0°	120.0°
C	N	H2	120.0°	120.0°
O	C	C1	121.2°	120.0°
C	C1	C2	111.4°	109.5°
C	C1	C15	109.0°	109.7°
C	C1	H	109.2°	109.5°
C1	C2	C3	109.3°	109.7°
C2	C1	C15	109.4°	109.3°
C1	C2	H5	109.5°	109.2°
C1	C2	H4	109.5°	109.5°
C2	C1	H	108.7°	109.5°
C2	C3	C4	110.4°	109.3°
C2	C3	H7	109.2°	109.5°
C2	C3	H6	109.2°	109.6°
C3	C2	H5	109.5°	109.5°
C3	C2	H4	109.5°	109.5°
C3	C4	N1	111.4°	108.8°
C3	C4	H9	109.0°	109.6°
C3	C4	H8	109.0°	109.7°
C4	C3	H7	109.3°	109.5°
C4	C3	H6	109.2°	109.5°
C4	N1	C5	125.9°	120.6°
C4	N1	C15	113.8°	118.8°
N1	C4	H9	109.0°	109.6°
N1	C4	H8	109.0°	109.6°
N1	C5	O1	121.3°	120.0°
N1	C5	C6	117.7°	120.0°
C5	N1	C15	120.0°	120.6°
O1	C5	C6	120.9°	120.0°
C5	C6	C7	111.1°	110.3°
C5	C6	C14	111.9°	110.3°
C5	C6	H1	110.7°	110.3°
C6	C7	C8	105.8°	102.4°
C7	C6	C14	101.7°	105.2°
C7	C6	H1	110.2°	110.3°
C6	C7	H10	110.4°	110.8°
C6	C7	H11	110.4°	110.8°
C7	C8	C9	102.8°	105.2°
C8	C7	H10	110.4°	110.8°
C8	C7	H11	110.4°	110.8°
C7	C8	H12	111.1°	110.3°
C7	C8	H13	111.1°	110.3°
C8	C9	C10	128.8°	130.3°
C8	C9	C14	110.9°	109.7°
C9	C8	H12	111.1°	110.3°
C9	C8	H13	111.1°	110.3°
C9	C10	C11	120.0°	120.3°
C10	C9	C14	120.3°	119.9°
C9	C10	H14	120.0°	119.9°
C10	C11	C12	120.1°	120.0°
C11	C10	H14	120.0°	119.8°
C10	C11	H15	120.0°	120.0°
C11	C12	C13	119.9°	119.8°
C11	C12	H16	120.1°	120.1°
C12	C11	H15	119.9°	120.0°
C12	C13	O2	121.2°	119.9°
C12	C13	C14	120.1°	120.1°
C13	C12	H16	120.0°	120.1°
O2	C13	C14	118.7°	120.0°
C13	O2	H17	109.5°	114.0°
C13	C14	C9	119.5°	119.8°
C13	C14	C6	129.7°	130.4°
C9	C14	C6	110.7°	109.8°
C14	C6	H1	110.9°	110.4°
N1	C15	C1	109.5°	108.7°
N1	C15	H19	109.4°	109.6°
N1	C15	H18	109.4°	109.6°
C1	C15	H19	109.5°	109.6°
C1	C15	H18	109.5°	109.7°
C15	C1	H	109.0°	109.3°
H9	C4	H8	109.5°	109.6°
H10	C7	H11	109.5°	110.9°
H12	C8	H13	109.5°	110.4°
H19	C15	H18	109.5°	109.6°
H7	C3	H6	109.5°	109.5°
H5	C2	H4	109.5°	109.5°
H3	N	H2	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	O	C1	178.5°	180.0°
N	C	C1	C2	114.2°	60.0°
N	C	C1	C15	125.0°	179.9°
N	C	C1	H	5.9°	60.1°
C	N	H3	H2	179.9°	179.9°
O	C	C1	C2	67.2°	120.0°
O	C	C1	C15	53.6°	0.0°
O	C	C1	H	172.7°	119.9°
O	C	N	H3	0.0°	180.0°
O	C	N	H2	180.0°	0.1°
C	C1	C2	C15	120.6°	120.2°
C	C1	C2	H	120.4°	120.1°
C	C1	C2	C3	178.9°	178.7°
C	C1	C15	N1	179.1°	174.6°
C	C1	C15	H	119.1°	120.1°
C	C1	C15	H19	59.1°	65.6°
C	C1	C15	H18	60.9°	54.8°
C	C1	C2	H5	61.1°	61.4°
C	C1	C2	H4	59.0°	58.5°
C1	C	N	H3	178.6°	0.0°
C1	C	N	H2	1.5°	180.0°
C1	C2	C3	H5	120.0°	119.8°
C1	C2	C3	H4	120.0°	120.2°
C1	C2	C3	C4	55.8°	61.1°
C2	C1	C15	N1	58.8°	54.5°
C2	C1	C15	H	118.8°	119.8°
C2	C1	C15	H19	178.8°	174.3°
C2	C1	C15	H18	61.2°	65.3°
C1	C2	C3	H7	64.4°	178.9°
C1	C2	C3	H6	175.9°	58.8°
C1	C2	H5	H4	120.1°	119.9°
C2	C3	C4	H7	120.1°	119.9°
C2	C3	C4	H6	120.1°	120.0°
C2	C3	C4	N1	54.1°	54.6°
C3	C2	C1	C15	58.3°	61.1°
C2	C3	C4	H9	174.4°	65.2°
C2	C3	C4	H8	66.2°	174.5°
C2	C3	H7	H6	119.5°	120.1°
C3	C2	H5	H4	120.1°	120.0°
C3	C2	C1	H	60.7°	58.6°
C3	C4	N1	H9	120.3°	119.8°
C3	C4	N1	H8	120.3°	119.9°
C3	C4	N1	C5	117.0°	126.4°
C3	C4	N1	C15	56.4°	53.9°
C3	C4	H9	H8	119.1°	120.4°
C4	C3	H7	H6	119.6°	120.0°
C4	C3	C2	H5	175.7°	58.6°
C4	C3	C2	H4	64.2°	178.7°
C4	N1	C5	C15	172.9°	179.7°
C4	N1	C5	O1	175.0°	175.2°
C4	N1	C5	C6	7.7°	4.8°
C4	N1	C15	C1	58.5°	53.9°
N1	C4	H9	H8	119.1°	120.3°
C4	N1	C15	H19	178.5°	173.6°
C4	N1	C15	H18	61.5°	66.0°
N1	C4	C3	H7	66.0°	174.6°
N1	C4	C3	H6	174.2°	65.4°
N1	C5	O1	C6	177.2°	179.9°
N1	C5	C6	C7	86.6°	85.2°
N1	C5	C6	C14	160.5°	159.1°
C5	N1	C15	C1	115.3°	126.4°
C5	N1	C4	H9	3.3°	113.8°
C5	N1	C4	H8	122.7°	6.5°
N1	C5	C6	H1	36.2°	36.9°
C5	N1	C15	H19	4.8°	6.6°
C5	N1	C15	H18	124.7°	113.7°
O1	C5	C6	C7	90.7°	94.9°
O1	C5	C6	C14	22.2°	20.8°
O1	C5	N1	C15	12.1°	4.5°
O1	C5	C6	H1	146.5°	143.0°
C5	C6	C7	C14	119.3°	118.9°
C5	C6	C7	H1	123.1°	122.1°
C5	C6	C7	C8	93.5°	145.3°
C5	C6	C14	C13	78.4°	43.9°
C5	C6	C14	C9	104.7°	136.0°
C5	C6	C14	H1	124.2°	122.2°
C6	C5	N1	C15	165.2°	175.5°
C5	C6	C7	H10	25.9°	27.0°
C5	C6	C7	H11	147.1°	96.6°
C6	C7	C8	H10	119.4°	118.2°
C6	C7	C8	H11	119.4°	118.2°
C6	C7	C8	C9	27.9°	26.4°
C7	C6	C14	C13	163.0°	162.7°
C7	C6	C14	C9	13.9°	17.2°
C7	C6	C14	H1	117.2°	119.0°
C6	C7	H10	H11	121.7°	123.5°
C6	C7	C8	H12	91.0°	145.2°
C6	C7	C8	H13	146.8°	92.6°
C7	C8	C9	H12	118.9°	118.8°
C7	C8	C9	H13	118.9°	118.9°
C7	C8	C9	C10	160.6°	162.8°
C7	C8	C9	C14	20.0°	17.2°
C8	C7	C6	C14	25.8°	26.4°
C8	C7	C6	H1	143.4°	92.6°
C8	C7	H10	H11	121.7°	123.5°
C7	C8	H12	H13	123.1°	122.1°
C8	C9	C10	C14	179.3°	179.9°
C8	C9	C10	C11	179.7°	180.0°
C8	C9	C14	C13	179.2°	180.0°
C8	C9	C14	C6	3.6°	0.0°
C9	C8	C7	H10	147.4°	91.8°
C9	C8	C7	H11	91.5°	144.6°
C9	C8	H12	H13	123.1°	122.2°
C8	C9	C10	H14	0.4°	0.0°
C9	C10	C11	H14	180.0°	180.0°
C9	C10	C11	C12	0.7°	0.0°
C10	C9	C14	C13	0.2°	0.1°
C10	C9	C14	C6	177.0°	180.0°
C10	C9	C8	H12	80.5°	44.0°
C10	C9	C8	H13	41.7°	78.3°
C9	C10	C11	H15	179.3°	180.0°
C10	C11	C12	H15	180.0°	180.0°
C10	C11	C12	C13	0.9°	0.0°
C11	C10	C9	C14	1.1°	0.0°
C10	C11	C12	H16	179.1°	179.9°
C11	C12	C13	H16	180.0°	179.9°
C11	C12	C13	O2	177.0°	180.0°
C11	C12	C13	C14	2.2°	0.1°
C12	C11	C10	H14	179.3°	180.0°
C12	C13	O2	C14	179.3°	179.9°
C12	C13	C14	C9	1.9°	0.1°
C12	C13	C14	C6	174.7°	180.0°
C12	C13	O2	H17	180.0°	84.9°
C13	C12	C11	H15	179.1°	180.0°
O2	C13	C14	C9	177.4°	180.0°
O2	C13	C14	C6	6.0°	0.1°
O2	C13	C12	H16	3.0°	0.1°
C13	C14	C9	C6	177.2°	179.9°
C13	C14	C6	H1	45.8°	78.3°
C14	C13	O2	H17	0.7°	95.1°
C14	C13	C12	H16	177.8°	179.9°
C9	C14	C6	H1	131.1°	101.8°
C14	C9	C8	H12	98.9°	136.1°
C14	C9	C8	H13	139.0°	101.7°
C14	C9	C10	H14	178.9°	180.0°
C14	C6	C7	H10	145.2°	91.9°
C14	C6	C7	H11	93.7°	144.5°
N1	C15	C1	H19	120.0°	119.8°
N1	C15	C1	H18	120.0°	119.8°
C15	N1	C4	H9	176.7°	65.9°
C15	N1	C4	H8	63.9°	173.8°
N1	C15	H19	H18	119.9°	120.3°
N1	C15	C1	H	60.0°	65.3°
C1	C15	H19	H18	120.0°	120.4°
C15	C1	C2	H5	178.3°	58.8°
C15	C1	C2	H4	61.6°	178.7°
H9	C4	C3	H7	54.3°	54.8°
H9	C4	C3	H6	65.5°	174.8°
H8	C4	C3	H7	173.7°	65.5°
H8	C4	C3	H6	53.9°	54.5°
H1	C6	C7	H10	97.2°	149.1°
H1	C6	C7	H11	24.0°	25.5°
H10	C7	C8	H12	28.4°	27.0°
H10	C7	C8	H13	93.7°	149.2°
H11	C7	C8	H12	149.6°	96.6°
H11	C7	C8	H13	27.4°	25.6°
H14	C10	C11	H15	0.7°	0.0°
H19	C15	C1	H	60.0°	54.5°
H18	C15	C1	H	180.0°	174.9°
H7	C3	C2	H5	55.6°	61.3°
H7	C3	C2	H4	175.7°	58.7°
H6	C3	C2	H5	64.1°	178.6°
H6	C3	C2	H4	55.9°	61.4°
H5	C2	C1	H	59.3°	178.5°
H4	C2	C1	H	179.4°	61.6°
H16	C12	C11	H15	0.9°	0.1°

Release date:	2025-02-26
Definition date:	2025-01-13
Last modified:	2025-02-21
Release status:	REL
Processing site:	RCSB
Derived from:	7HZ2