A1BFO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.50Å
C2	N1	sing	1.47Å	1.47Å
N1	C3	sing	1.47Å	1.47Å
C3	C4	sing	1.53Å	1.53Å
C4	C5	sing	1.53Å	1.52Å
C5	N2	sing	1.47Å	1.48Å
N2	C6	sing	1.47Å	1.47Å
C6	C7	sing	1.53Å	1.51Å
N2	C8	sing	1.39Å	1.40Å
C8	C9	doub	1.39Å	1.40Å	Aromatic
C9	C10	sing	1.38Å	1.37Å	Aromatic
C10	N3	doub	1.32Å	1.34Å	Aromatic
N3	C11	sing	1.32Å	1.34Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C3	C7	sing	1.53Å	1.53Å
C8	C12	sing	1.39Å	1.40Å	Aromatic
N1	H6	sing	1.01Å	1.00Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C10	H17	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C11	H18	sing	1.08Å	1.08Å
C12	H19	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C9	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N1	112.5°	109.5°
C2	C1	H3	109.5°	109.5°
C2	C1	H2	109.4°	109.4°
C2	C1	H1	109.5°	109.5°
C1	C2	H5	108.7°	109.5°
C1	C2	H4	108.7°	109.5°
C2	N1	C3	115.6°	111.0°
C2	N1	H6	107.9°	111.0°
N1	C2	H5	108.7°	109.4°
N1	C2	H4	108.7°	109.5°
N1	C3	C4	113.5°	109.6°
N1	C3	C7	110.6°	109.5°
C3	N1	H6	107.9°	111.0°
N1	C3	H7	107.6°	109.5°
C3	C4	C5	114.6°	109.3°
C4	C3	C7	110.8°	109.1°
C3	C4	H9	108.2°	109.5°
C3	C4	H8	108.2°	109.5°
C4	C3	H7	106.9°	109.5°
C4	C5	N2	111.3°	109.5°
C5	C4	H9	108.2°	109.5°
C5	C4	H8	108.2°	109.5°
C4	C5	H10	109.0°	109.4°
C4	C5	H11	109.0°	109.5°
C5	N2	C6	111.6°	111.2°
C5	N2	C8	124.9°	111.0°
N2	C5	H10	109.0°	109.4°
N2	C5	H11	109.0°	109.5°
N2	C6	C7	109.3°	109.6°
C6	N2	C8	123.5°	111.0°
N2	C6	H13	109.5°	109.5°
N2	C6	H12	109.5°	109.4°
C6	C7	C3	110.9°	109.3°
C7	C6	H13	109.5°	109.5°
C7	C6	H12	109.5°	109.4°
C6	C7	H15	109.1°	109.5°
C6	C7	H14	109.1°	109.5°
N2	C8	C9	120.5°	120.9°
N2	C8	C12	121.0°	120.8°
C8	C9	C10	118.1°	119.1°
C9	C8	C12	118.5°	118.3°
C8	C9	H16	120.9°	120.5°
C9	C10	N3	124.0°	120.9°
C9	C10	H17	118.0°	119.6°
C10	C9	H16	121.0°	120.5°
C10	N3	C11	117.3°	121.9°
N3	C10	H17	118.0°	119.6°
N3	C11	C12	123.8°	120.9°
N3	C11	H18	118.1°	119.6°
C11	C12	C8	118.3°	119.0°
C12	C11	H18	118.1°	119.6°
C11	C12	H19	120.9°	120.5°
C3	C7	H15	109.1°	109.5°
C3	C7	H14	109.1°	109.5°
C7	C3	H7	107.0°	109.5°
C8	C12	H19	120.8°	120.5°
H9	C4	H8	109.5°	109.5°
H10	C5	H11	109.4°	109.5°
H13	C6	H12	109.5°	109.5°
H15	C7	H14	109.5°	109.5°
H3	C1	H2	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H2	C1	H1	109.4°	109.5°
H5	C2	H4	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N1	H5	120.4°	120.0°
C1	C2	N1	H4	120.5°	120.0°
C1	C2	N1	C3	176.5°	180.0°
C1	C2	N1	H6	62.6°	56.0°
C2	C1	H3	H2	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C1	C2	H5	H4	118.6°	120.0°
C2	N1	C3	H6	120.9°	124.0°
C2	N1	C3	C4	160.5°	155.0°
C2	N1	C3	C7	74.3°	85.3°
N1	C2	C1	H3	180.0°	60.0°
N1	C2	C1	H2	60.0°	180.0°
N1	C2	C1	H1	60.0°	60.0°
N1	C2	H5	H4	118.6°	120.0°
C2	N1	C3	H7	42.3°	34.8°
N1	C3	C4	C7	125.1°	119.9°
N1	C3	C4	H7	118.5°	120.2°
N1	C3	C4	C5	79.6°	177.5°
N1	C3	C7	C6	74.7°	177.5°
N1	C3	C7	H7	117.0°	120.1°
N1	C3	C4	H9	159.7°	57.6°
N1	C3	C4	H8	41.2°	62.5°
N1	C3	C7	H15	165.1°	62.4°
N1	C3	C7	H14	45.5°	57.6°
C3	N1	C2	H5	56.1°	60.0°
C3	N1	C2	H4	63.0°	60.0°
C3	C4	C5	H9	120.8°	120.0°
C3	C4	C5	H8	120.7°	120.0°
C3	C4	C5	N2	47.2°	59.2°
C4	C3	C7	C6	52.0°	57.6°
C4	C3	C7	H7	116.3°	119.9°
C4	C3	N1	H6	39.6°	31.0°
C3	C4	H9	H8	117.7°	120.1°
C3	C4	C5	H10	167.5°	60.8°
C3	C4	C5	H11	73.1°	179.2°
C4	C3	C7	H15	68.2°	177.6°
C4	C3	C7	H14	172.3°	62.3°
C4	C5	N2	H10	120.3°	120.0°
C4	C5	N2	H11	120.3°	120.0°
C4	C5	N2	C6	55.8°	61.7°
C4	C5	N2	C8	123.3°	174.2°
C5	C4	C3	C7	45.6°	57.6°
C5	C4	H9	H8	117.7°	120.0°
C4	C5	H10	H11	119.2°	120.0°
C5	C4	C3	H7	161.9°	62.3°
C5	N2	C6	C8	179.2°	124.1°
C5	N2	C6	C7	63.3°	61.7°
C5	N2	C8	C9	146.0°	180.0°
C5	N2	C8	C12	34.6°	0.1°
N2	C5	C4	H9	73.6°	60.8°
N2	C5	C4	H8	168.0°	179.2°
N2	C5	H10	H11	119.1°	120.0°
C5	N2	C6	H13	176.7°	178.2°
C5	N2	C6	H12	56.6°	58.3°
N2	C6	C7	H13	120.0°	120.1°
N2	C6	C7	H12	120.0°	120.0°
C6	N2	C8	C9	33.1°	55.8°
N2	C6	C7	C3	61.3°	59.1°
C6	N2	C8	C12	146.4°	124.3°
C6	N2	C5	H10	176.1°	58.3°
C6	N2	C5	H11	64.5°	178.3°
N2	C6	H13	H12	120.1°	119.9°
N2	C6	C7	H15	58.9°	179.1°
N2	C6	C7	H14	178.5°	60.8°
C7	C6	N2	C8	115.8°	174.2°
C6	C7	C3	H15	120.2°	120.0°
C6	C7	C3	H14	120.2°	119.9°
C7	C6	H13	H12	120.1°	120.0°
C6	C7	H15	H14	119.3°	120.0°
C6	C7	C3	H7	168.3°	62.3°
N2	C8	C9	C12	179.4°	179.9°
N2	C8	C9	C10	179.9°	180.0°
N2	C8	C12	C11	179.8°	179.9°
C8	N2	C5	H10	3.0°	65.8°
C8	N2	C5	H11	116.3°	54.2°
C8	N2	C6	H13	4.1°	54.1°
C8	N2	C6	H12	124.2°	65.8°
N2	C8	C12	H19	0.2°	0.1°
N2	C8	C9	H16	0.0°	0.0°
C8	C9	C10	H16	180.0°	180.0°
C8	C9	C10	N3	0.0°	0.0°
C9	C8	C12	C11	0.3°	0.0°
C8	C9	C10	H17	180.0°	179.9°
C9	C8	C12	H19	179.7°	180.0°
C9	C10	N3	H17	180.0°	179.9°
C9	C10	N3	C11	0.6°	0.1°
C10	C9	C8	C12	0.5°	0.1°
C10	N3	C11	C12	0.8°	0.1°
C10	N3	C11	H18	179.2°	180.0°
N3	C10	C9	H16	180.0°	180.0°
N3	C11	C12	H18	180.0°	180.0°
N3	C11	C12	C8	0.4°	0.0°
C11	N3	C10	H17	179.3°	180.0°
N3	C11	C12	H19	179.6°	179.9°
C11	C12	C8	H19	180.0°	179.9°
C7	C3	N1	H6	164.8°	150.7°
C7	C3	C4	H9	75.2°	62.4°
C7	C3	C4	H8	166.4°	177.6°
C3	C7	C6	H13	178.7°	179.2°
C3	C7	C6	H12	58.7°	60.8°
C3	C7	H15	H14	119.4°	120.1°
C8	C12	C11	H18	179.6°	180.0°
C12	C8	C9	H16	179.5°	180.0°
H6	N1	C2	H5	177.0°	64.0°
H6	N1	C2	H4	57.9°	176.0°
H6	N1	C3	H7	78.6°	89.2°
H9	C4	C5	H10	46.7°	179.2°
H9	C4	C5	H11	166.1°	59.2°
H9	C4	C3	H7	41.2°	177.7°
H8	C4	C5	H10	71.7°	59.2°
H8	C4	C5	H11	47.7°	60.8°
H8	C4	C3	H7	77.3°	57.6°
H13	C6	C7	H15	61.0°	60.8°
H13	C6	C7	H14	58.5°	59.2°
H12	C6	C7	H15	178.9°	59.2°
H12	C6	C7	H14	61.6°	179.2°
H15	C7	C3	H7	48.1°	57.7°
H14	C7	C3	H7	71.5°	177.7°
H17	C10	C9	H16	0.0°	0.1°
H3	C1	H2	H1	120.0°	120.0°
H3	C1	C2	H5	59.5°	60.0°
H3	C1	C2	H4	59.5°	180.0°
H2	C1	C2	H5	60.5°	60.0°
H2	C1	C2	H4	179.5°	60.0°
H1	C1	C2	H5	179.6°	180.0°
H1	C1	C2	H4	60.5°	60.0°
H18	C11	C12	H19	0.4°	0.0°

Release date:	2024-11-27
Definition date:	2024-11-04
Last modified:	2024-11-22
Release status:	REL
Processing site:	RCSB
Derived from:	7HN1