A1BDN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.22Å	1.23Å
C	N	sing	1.35Å	1.34Å
N	C1	sing	1.46Å	1.47Å
C1	C2	sing	1.54Å	1.53Å
C2	C3	sing	1.55Å	1.52Å
C3	C4	sing	1.54Å	1.47Å
C4	C5	sing	1.54Å	1.53Å
C5	C1	sing	1.54Å	1.54Å
C1	N1	sing	1.46Å	1.46Å
N1	C6	sing	1.39Å	1.39Å
C6	C7	sing	1.38Å	1.39Å	Aromatic
C7	C8	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.39Å	1.38Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C11	C	sing	1.47Å	1.47Å
C6	C11	doub	1.41Å	1.41Å	Aromatic
N1	H9	sing	0.97Å	1.00Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C5	H8	sing	1.09Å	1.10Å
C7	H10	sing	1.08Å	1.08Å
C8	H11	sing	1.08Å	1.08Å
C10	H13	sing	1.08Å	1.08Å
N	H	sing	0.97Å	1.00Å
C2	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C9	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	N	121.6°	120.4°
O	C	C11	122.6°	120.3°
C	N	C1	124.8°	121.0°
N	C	C11	115.8°	119.3°
C	N	H	117.6°	119.6°
N	C1	C2	110.9°	110.1°
N	C1	C5	112.4°	110.4°
N	C1	N1	107.2°	111.4°
C1	N	H	117.6°	119.4°
C1	C2	C3	105.1°	102.7°
C2	C1	C5	105.8°	104.7°
C2	C1	N1	110.4°	109.8°
C1	C2	H1	110.6°	110.7°
C1	C2	H2	110.5°	110.8°
C2	C3	C4	104.8°	104.2°
C3	C2	H1	110.6°	110.7°
C3	C2	H2	110.6°	110.8°
C2	C3	H4	110.6°	110.4°
C2	C3	H3	110.6°	110.5°
C3	C4	C5	105.0°	106.6°
C3	C4	H5	110.6°	110.0°
C3	C4	H6	110.6°	110.1°
C4	C3	H4	110.6°	110.5°
C4	C3	H3	110.6°	110.5°
C4	C5	C1	105.3°	106.5°
C5	C4	H5	110.6°	110.0°
C5	C4	H6	110.6°	110.1°
C4	C5	H7	110.5°	110.0°
C4	C5	H8	110.5°	110.1°
C5	C1	N1	110.2°	110.1°
C1	C5	H7	110.5°	110.1°
C1	C5	H8	110.5°	110.1°
C1	N1	C6	119.3°	118.5°
C1	N1	H9	107.0°	120.7°
N1	C6	C7	121.4°	121.8°
N1	C6	C11	119.0°	118.2°
C6	N1	H9	107.0°	120.8°
C6	C7	C8	119.8°	119.6°
C7	C6	C11	119.5°	120.0°
C6	C7	H10	120.1°	120.1°
C7	C8	C9	120.5°	120.6°
C8	C7	H10	120.1°	120.2°
C7	C8	H11	119.7°	119.7°
C8	C9	C10	120.5°	120.6°
C9	C8	H11	119.7°	119.7°
C8	C9	H12	119.7°	119.7°
C9	C10	C11	119.9°	119.5°
C9	C10	H13	120.0°	120.3°
C10	C9	H12	119.7°	119.7°
C10	C11	C	121.0°	121.6°
C10	C11	C6	119.6°	119.7°
C11	C10	H13	120.0°	120.2°
C	C11	C6	119.4°	118.7°
H5	C4	H6	109.5°	110.0°
H7	C5	H8	109.5°	110.1°
H1	C2	H2	109.4°	110.8°
H4	C3	H3	109.4°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	N	C11	179.0°	179.3°
O	C	N	C1	162.3°	176.7°
O	C	C11	C10	2.8°	13.1°
O	C	C11	C6	177.7°	166.6°
O	C	N	H	17.7°	2.7°
C	N	C1	H	180.0°	179.4°
C	N	C1	C2	81.2°	92.1°
C	N	C1	C5	160.5°	152.7°
C	N	C1	N1	39.3°	30.0°
N	C	C11	C10	178.3°	167.6°
N	C	C11	C6	1.3°	12.7°
N	C1	C2	C5	122.1°	118.7°
N	C1	C2	N1	118.6°	123.1°
N	C1	C2	C3	135.6°	81.3°
N	C1	C5	C4	111.9°	95.4°
N	C1	C5	N1	119.5°	123.5°
N	C1	N1	C6	42.9°	42.5°
C1	N	C	C11	18.8°	4.0°
N	C1	N1	H9	164.3°	137.3°
N	C1	C5	H7	128.8°	145.4°
N	C1	C5	H8	7.4°	23.9°
N	C1	C2	H1	105.1°	160.4°
N	C1	C2	H2	16.2°	37.0°
C1	C2	C3	H1	119.3°	118.3°
C1	C2	C3	H2	119.3°	118.3°
C1	C2	C3	C4	32.1°	37.4°
C2	C1	C5	C4	9.2°	23.1°
C2	C1	C5	N1	119.4°	118.0°
C2	C1	N1	C6	78.0°	79.8°
C2	C1	N1	H9	43.4°	100.4°
C2	C1	C5	H7	110.1°	96.1°
C2	C1	C5	H8	128.6°	142.4°
C2	C1	N	H	98.7°	87.3°
C1	C2	H1	H2	122.0°	123.3°
C1	C2	C3	H4	87.1°	81.3°
C1	C2	C3	H3	151.4°	156.1°
C2	C3	C4	H4	119.3°	118.7°
C2	C3	C4	H3	119.3°	118.7°
C2	C3	C4	C5	38.2°	23.5°
C3	C2	C1	C5	13.4°	37.4°
C3	C2	C1	N1	105.8°	155.6°
C2	C3	C4	H5	157.5°	142.8°
C2	C3	C4	H6	81.0°	95.9°
C3	C2	H1	H2	122.0°	123.4°
C2	C3	H4	H3	122.2°	122.6°
C3	C4	C5	H5	119.3°	119.2°
C3	C4	C5	H6	119.3°	119.4°
C3	C4	C5	C1	29.5°	0.3°
C3	C4	H5	H6	122.1°	121.4°
C3	C4	C5	H7	89.9°	119.6°
C3	C4	C5	H8	148.8°	118.9°
C4	C3	C2	H1	151.5°	80.8°
C4	C3	C2	H2	87.2°	155.8°
C4	C3	H4	H3	122.1°	122.6°
C4	C5	C1	H7	119.3°	119.2°
C4	C5	C1	H8	119.3°	119.3°
C4	C5	C1	N1	128.6°	141.1°
C5	C4	H5	H6	122.1°	121.4°
C4	C5	H7	H8	122.0°	121.5°
C5	C4	C3	H4	81.0°	95.2°
C5	C4	C3	H3	157.5°	142.2°
C5	C1	N1	C6	165.4°	165.4°
C5	C1	N1	H9	73.2°	14.5°
C1	C5	C4	H5	148.8°	119.6°
C1	C5	C4	H6	89.8°	119.0°
C1	C5	H7	H8	121.9°	121.5°
C5	C1	N	H	19.5°	27.9°
C5	C1	C2	H1	132.8°	80.9°
C5	C1	C2	H2	105.9°	155.8°
C1	N1	C6	H9	121.4°	179.8°
C1	N1	C6	C7	153.2°	152.0°
C1	N1	C6	C11	28.6°	28.1°
N1	C1	C5	H7	9.3°	21.9°
N1	C1	C5	H8	112.0°	99.6°
N1	C1	N	H	140.7°	150.6°
N1	C1	C2	H1	13.5°	37.3°
N1	C1	C2	H2	134.8°	86.1°
N1	C6	C7	C11	178.2°	179.9°
N1	C6	C7	C8	177.1°	179.9°
N1	C6	C11	C10	176.5°	179.9°
N1	C6	C11	C	4.0°	0.4°
N1	C6	C7	H10	2.9°	0.0°
C6	C7	C8	H10	180.0°	180.0°
C6	C7	C8	C9	0.2°	0.0°
C7	C6	C11	C10	1.8°	0.2°
C7	C6	C11	C	177.7°	179.6°
C7	C6	N1	H9	31.8°	28.2°
C6	C7	C8	H11	179.8°	180.0°
C7	C8	C9	H11	180.0°	180.0°
C7	C8	C9	C10	0.8°	0.1°
C8	C7	C6	C11	1.1°	0.1°
C7	C8	C9	H12	179.2°	180.0°
C8	C9	C10	H12	180.0°	179.9°
C8	C9	C10	C11	0.1°	0.0°
C9	C8	C7	H10	179.8°	180.0°
C8	C9	C10	H13	179.9°	179.9°
C9	C10	C11	H13	180.0°	180.0°
C9	C10	C11	C	178.3°	179.6°
C9	C10	C11	C6	1.2°	0.1°
C10	C9	C8	H11	179.2°	179.9°
C10	C11	C	C6	179.5°	179.8°
C11	C10	C9	H12	179.9°	180.0°
C	C11	C10	H13	1.7°	0.3°
C11	C	N	H	161.3°	176.6°
C11	C6	N1	H9	150.0°	151.7°
C11	C6	C7	H10	178.9°	179.9°
C6	C11	C10	H13	178.8°	179.9°
H5	C4	C5	H7	29.4°	121.2°
H5	C4	C5	H8	91.9°	0.3°
H5	C4	C3	H4	38.3°	24.1°
H5	C4	C3	H3	83.2°	98.6°
H6	C4	C5	H7	150.8°	0.2°
H6	C4	C5	H8	29.5°	121.7°
H6	C4	C3	H4	159.7°	145.5°
H6	C4	C3	H3	38.3°	22.8°
H10	C7	C8	H11	0.2°	0.0°
H11	C8	C9	H12	0.8°	0.0°
H13	C10	C9	H12	0.1°	0.0°
H1	C2	C3	H4	32.2°	160.5°
H1	C2	C3	H3	89.3°	37.9°
H2	C2	C3	H4	153.5°	37.1°
H2	C2	C3	H3	32.1°	85.5°

Release date:	2024-10-30
Definition date:	2024-10-15
Last modified:	2024-10-25
Release status:	REL
Processing site:	RCSB
Derived from:	7HL7