A1BFW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.46Å
N1	C2	sing	1.35Å	1.35Å	Aromatic
C2	C3	doub	1.35Å	1.36Å	Aromatic
C3	C4	sing	1.42Å	1.40Å	Aromatic
C4	N2	doub	1.32Å	1.34Å	Aromatic
C4	C5	sing	1.48Å	1.48Å
C5	O1	doub	1.22Å	1.24Å
C5	N3	sing	1.35Å	1.33Å
N3	C6	sing	1.47Å	1.45Å
C6	C7	sing	1.53Å	1.50Å
C7	C8	sing	1.54Å	1.51Å
C8	C9	sing	1.55Å	1.50Å
C9	C10	sing	1.55Å	1.50Å
C10	O2	sing	1.44Å	1.43Å
N1	N2	sing	1.28Å	1.36Å	Aromatic
C7	O2	sing	1.44Å	1.37Å
N3	H6	sing	0.97Å	1.00Å
C6	H8	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	129.4°	124.9°
C1	N1	N2	119.9°	124.8°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.4°	109.4°
N1	C1	H1	109.5°	109.5°
N1	C2	C3	107.2°	107.2°
C2	N1	N2	110.7°	110.3°
N1	C2	H4	126.4°	126.4°
C2	C3	C4	106.3°	105.5°
C3	C2	H4	126.4°	126.4°
C2	C3	H5	126.8°	127.3°
C3	C4	N2	109.6°	107.0°
C3	C4	C5	129.1°	126.5°
C4	C3	H5	126.8°	127.2°
N2	C4	C5	121.3°	126.5°
C4	N2	N1	106.1°	110.0°
C4	C5	O1	121.3°	120.0°
C4	C5	N3	115.8°	120.0°
O1	C5	N3	122.8°	120.0°
C5	N3	C6	122.1°	120.0°
C5	N3	H6	118.9°	120.0°
N3	C6	C7	112.0°	109.4°
C6	N3	H6	119.0°	120.0°
N3	C6	H8	108.8°	109.5°
N3	C6	H7	108.8°	109.5°
C6	C7	C8	130.4°	109.9°
C6	C7	O2	112.6°	109.8°
C7	C6	H8	108.9°	109.4°
C7	C6	H7	108.8°	109.5°
C6	C7	H9	99.4°	109.9°
C7	C8	C9	102.1°	104.2°
C8	C7	O2	108.5°	107.3°
C8	C7	H9	99.4°	109.9°
C7	C8	H10	111.3°	110.5°
C7	C8	H11	111.3°	110.5°
C8	C9	C10	104.7°	102.1°
C9	C8	H10	111.3°	110.5°
C9	C8	H11	111.3°	110.5°
C8	C9	H12	110.6°	110.9°
C8	C9	H13	110.7°	111.0°
C9	C10	O2	107.7°	103.5°
C9	C10	H14	109.9°	110.6°
C9	C10	H15	109.9°	110.8°
C10	C9	H12	110.7°	110.9°
C10	C9	H13	110.7°	110.9°
C10	O2	C7	103.7°	107.0°
O2	C10	H14	109.9°	110.6°
O2	C10	H15	109.9°	110.6°
O2	C7	H9	100.3°	110.1°
H8	C6	H7	109.5°	109.5°
H10	C8	H11	109.5°	110.6°
H14	C10	H15	109.5°	110.6°
H2	C1	H3	109.5°	109.5°
H2	C1	H1	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H12	C9	H13	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	N2	179.8°	179.8°
C1	N1	C2	C3	179.7°	179.8°
C1	N1	N2	C4	179.9°	179.8°
N1	C1	H2	H3	120.0°	120.0°
N1	C1	H2	H1	120.0°	120.0°
N1	C1	H3	H1	120.0°	120.0°
C1	N1	C2	H4	0.4°	0.2°
N1	C2	C3	H4	180.0°	180.0°
N1	C2	C3	C4	0.2°	0.0°
C2	N1	N2	C4	0.1°	0.0°
C2	N1	C1	H2	179.8°	89.9°
C2	N1	C1	H3	60.2°	150.0°
C2	N1	C1	H1	59.7°	30.0°
N1	C2	C3	H5	179.8°	180.0°
C2	C3	C4	H5	180.0°	180.0°
C2	C3	C4	N2	0.3°	0.0°
C2	C3	C4	C5	179.5°	180.0°
C3	C2	N1	N2	0.1°	0.0°
C3	C4	N2	C5	179.3°	180.0°
C3	C4	C5	O1	22.7°	0.0°
C3	C4	C5	N3	160.9°	180.0°
C3	C4	N2	N1	0.2°	0.0°
C4	C3	C2	H4	179.7°	180.0°
N2	C4	C5	O1	156.4°	180.0°
N2	C4	C5	N3	20.0°	0.0°
N2	C4	C3	H5	179.7°	180.0°
C4	C5	O1	N3	176.2°	180.0°
C4	C5	N3	C6	166.3°	180.0°
C5	C4	N2	N1	179.5°	180.0°
C4	C5	N3	H6	13.8°	0.0°
C5	C4	C3	H5	0.5°	0.0°
O1	C5	N3	C6	10.1°	0.0°
O1	C5	N3	H6	169.9°	180.0°
C5	N3	C6	H6	180.0°	180.0°
C5	N3	C6	C7	116.3°	180.0°
C5	N3	C6	H8	123.3°	60.0°
C5	N3	C6	H7	4.1°	60.0°
N3	C6	C7	H8	120.4°	119.9°
N3	C6	C7	H7	120.4°	120.0°
N3	C6	C7	C8	166.9°	180.0°
N3	C6	C7	O2	49.4°	62.2°
N3	C6	H8	H7	118.8°	120.0°
N3	C6	C7	H9	56.0°	59.0°
C6	C7	C8	O2	144.8°	119.3°
C6	C7	C8	H9	111.0°	121.0°
C6	C7	C8	C9	117.0°	121.4°
C6	C7	O2	C10	113.9°	145.9°
C6	C7	O2	H9	104.8°	121.1°
C7	C6	N3	H6	63.7°	0.0°
C7	C6	H8	H7	118.9°	120.1°
C6	C7	C8	H10	124.2°	119.9°
C6	C7	C8	H11	1.8°	2.8°
C7	C8	C9	H10	118.8°	118.7°
C7	C8	C9	H11	118.8°	118.6°
C7	C8	C9	C10	6.7°	20.9°
C8	C7	O2	C10	37.6°	26.5°
C8	C7	O2	H9	103.6°	119.5°
C8	C7	C6	H8	46.5°	60.1°
C8	C7	C6	H7	72.7°	60.0°
C7	C8	H10	H11	123.5°	122.6°
C7	C8	C9	H12	126.0°	139.0°
C7	C8	C9	H13	112.6°	97.3°
C8	C9	C10	H12	119.2°	118.1°
C8	C9	C10	H13	119.2°	118.3°
C8	C9	C10	O2	15.0°	37.1°
C9	C8	C7	O2	27.8°	2.1°
C9	C8	C7	H9	132.0°	117.6°
C9	C8	H10	H11	123.4°	122.6°
C8	C9	C10	H14	134.7°	81.4°
C8	C9	C10	H15	104.7°	155.6°
C8	C9	H12	H13	122.2°	123.7°
C9	C10	O2	H14	119.7°	118.5°
C9	C10	O2	H15	119.8°	118.7°
C9	C10	O2	C7	32.5°	40.1°
C10	C9	C8	H10	112.1°	97.8°
C10	C9	C8	H11	125.5°	139.5°
C9	C10	H14	H15	120.8°	123.1°
C10	C9	H12	H13	122.2°	123.6°
C10	O2	C7	H9	141.2°	93.0°
O2	C10	H14	H15	120.8°	122.9°
O2	C10	C9	H12	104.2°	155.2°
O2	C10	C9	H13	134.2°	81.2°
N2	N1	C1	H2	0.0°	90.3°
N2	N1	C1	H3	120.0°	29.8°
N2	N1	C1	H1	120.0°	149.7°
N2	N1	C2	H4	179.9°	180.0°
O2	C7	C6	H8	169.8°	177.8°
O2	C7	C6	H7	70.9°	57.8°
O2	C7	C8	H10	91.0°	120.8°
O2	C7	C8	H11	146.5°	116.6°
C7	O2	C10	H14	152.2°	78.4°
C7	O2	C10	H15	87.2°	158.8°
H6	N3	C6	H8	56.7°	120.0°
H6	N3	C6	H7	175.9°	120.0°
H8	C6	C7	H9	64.4°	61.0°
H7	C6	C7	H9	176.3°	179.0°
H9	C7	C8	H10	13.2°	1.1°
H9	C7	C8	H11	109.2°	123.8°
H10	C8	C9	H12	7.1°	20.4°
H10	C8	C9	H13	128.6°	144.0°
H11	C8	C9	H12	115.3°	102.3°
H11	C8	C9	H13	6.2°	21.3°
H14	C10	C9	H12	15.5°	36.7°
H14	C10	C9	H13	106.0°	160.3°
H15	C10	C9	H12	136.0°	86.2°
H15	C10	C9	H13	14.5°	37.4°
H2	C1	H3	H1	120.0°	120.0°
H4	C2	C3	H5	0.3°	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:	7HNH