A1C90

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.40Å	1.38Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.39Å	1.39Å	Aromatic
C5	O1	sing	1.36Å	1.37Å
O1	C6	sing	1.43Å	1.42Å
C6	C7	sing	1.51Å	1.50Å
C7	O2	doub	1.21Å	1.25Å
C7	N2	sing	1.35Å	1.35Å
N2	C8	sing	1.47Å	1.47Å
C8	C9	sing	1.55Å	1.51Å
C9	C10	sing	1.55Å	1.50Å
C10	C11	sing	1.54Å	1.51Å
C5	C12	doub	1.39Å	1.39Å	Aromatic
C1	C12	sing	1.39Å	1.39Å	Aromatic
N2	C11	sing	1.47Å	1.47Å
C10	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C9	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
N1	H1	sing	0.97Å	1.00Å
N1	H2	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C2	121.5°	120.1°
N1	C1	C12	119.6°	120.0°
C1	N1	H1	109.5°	119.9°
C1	N1	H2	109.4°	120.0°
C1	C2	C3	120.4°	120.1°
C2	C1	C12	118.9°	119.9°
C1	C2	H3	119.8°	120.0°
C2	C3	C4	120.9°	120.1°
C3	C2	H3	119.8°	119.9°
C2	C3	H4	119.5°	120.0°
C3	C4	C5	118.8°	120.1°
C4	C3	H4	119.6°	120.0°
C3	C4	H5	120.6°	120.0°
C4	C5	O1	124.7°	120.0°
C4	C5	C12	120.8°	120.0°
C5	C4	H5	120.6°	119.9°
C5	O1	C6	118.2°	117.0°
O1	C5	C12	114.5°	120.0°
O1	C6	C7	111.3°	109.4°
O1	C6	H6	109.0°	109.5°
O1	C6	H7	109.0°	109.4°
C6	C7	O2	122.3°	120.0°
C6	C7	N2	116.5°	120.0°
C7	C6	H6	109.0°	109.5°
C7	C6	H7	109.0°	109.5°
O2	C7	N2	121.2°	120.0°
C7	N2	C8	124.4°	125.6°
C7	N2	C11	124.9°	125.6°
N2	C8	C9	102.5°	104.8°
C8	N2	C11	110.7°	108.7°
N2	C8	H8	111.2°	110.3°
N2	C8	H9	111.2°	110.5°
C8	C9	C10	103.0°	101.6°
C9	C8	H8	111.2°	110.4°
C9	C8	H9	111.2°	110.4°
C8	C9	H10	111.1°	111.0°
C8	C9	H11	111.1°	111.0°
C9	C10	C11	104.9°	102.9°
C9	C10	H12	110.6°	110.8°
C9	C10	H13	110.6°	110.9°
C10	C9	H10	111.1°	111.0°
C10	C9	H11	111.1°	111.0°
C10	C11	N2	103.6°	107.2°
C11	C10	H12	110.6°	110.7°
C11	C10	H13	110.6°	110.7°
C10	C11	H14	110.9°	109.9°
C10	C11	H15	110.9°	109.8°
C5	C12	C1	120.3°	119.9°
C5	C12	H16	119.9°	120.0°
C1	C12	H16	119.9°	120.1°
N2	C11	H14	110.9°	109.9°
N2	C11	H15	110.9°	110.0°
H12	C10	H13	109.5°	110.6°
H14	C11	H15	109.5°	109.8°
H6	C6	H7	109.5°	109.5°
H8	C8	H9	109.5°	110.3°
H10	C9	H11	109.5°	110.9°
H1	N1	H2	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C2	C12	179.5°	179.8°
N1	C1	C2	C3	179.7°	179.7°
N1	C1	C12	C5	179.9°	179.7°
N1	C1	C12	H16	0.2°	0.3°
N1	C1	C2	H3	0.3°	0.2°
C1	N1	H1	H2	120.0°	180.0°
C1	C2	C3	H3	180.0°	179.9°
C1	C2	C3	C4	0.5°	0.0°
C2	C1	C12	C5	0.4°	0.1°
C2	C1	C12	H16	179.7°	180.0°
C1	C2	C3	H4	179.5°	179.9°
C2	C1	N1	H1	180.0°	0.0°
C2	C1	N1	H2	60.0°	180.0°
C2	C3	C4	H4	180.0°	179.9°
C2	C3	C4	C5	0.2°	0.0°
C3	C2	C1	C12	0.8°	0.1°
C2	C3	C4	H5	179.8°	180.0°
C3	C4	C5	H5	180.0°	180.0°
C3	C4	C5	O1	179.8°	180.0°
C3	C4	C5	C12	0.7°	0.1°
C4	C3	C2	H3	179.5°	179.9°
C4	C5	O1	C12	179.6°	179.9°
C4	C5	O1	C6	13.6°	0.0°
C4	C5	C12	C1	0.4°	0.0°
C4	C5	C12	H16	179.6°	180.0°
C5	C4	C3	H4	179.8°	180.0°
C5	O1	C6	C7	178.0°	180.0°
O1	C5	C12	C1	180.0°	179.9°
O1	C5	C12	H16	0.0°	0.0°
O1	C5	C4	H5	0.2°	0.0°
C5	O1	C6	H6	57.8°	59.9°
C5	O1	C6	H7	61.7°	60.1°
O1	C6	C7	H6	120.3°	120.0°
O1	C6	C7	H7	120.3°	120.0°
O1	C6	C7	O2	11.6°	0.0°
O1	C6	C7	N2	170.1°	179.9°
C6	O1	C5	C12	166.9°	180.0°
O1	C6	H6	H7	119.2°	120.0°
C6	C7	O2	N2	178.2°	180.0°
C6	C7	N2	C8	163.2°	180.0°
C6	C7	N2	C11	19.1°	0.0°
C7	C6	H6	H7	119.1°	120.0°
O2	C7	N2	C8	18.6°	0.1°
O2	C7	N2	C11	159.2°	180.0°
O2	C7	C6	H6	131.9°	120.0°
O2	C7	C6	H7	108.7°	120.0°
C7	N2	C8	C11	178.0°	180.0°
C7	N2	C8	C9	158.6°	155.9°
C7	N2	C11	C10	178.2°	179.0°
C7	N2	C11	H14	59.1°	59.5°
C7	N2	C11	H15	62.7°	61.6°
N2	C7	C6	H6	49.9°	60.0°
N2	C7	C6	H7	69.6°	60.0°
C7	N2	C8	H8	82.5°	85.3°
C7	N2	C8	H9	39.7°	37.0°
N2	C8	C9	H8	118.9°	118.8°
N2	C8	C9	H9	118.9°	119.0°
N2	C8	C9	C10	37.2°	37.0°
C8	N2	C11	C10	0.2°	1.0°
C8	N2	C11	H14	118.9°	120.5°
C8	N2	C11	H15	119.2°	118.4°
N2	C8	H8	H9	123.3°	122.4°
N2	C8	C9	H10	156.2°	155.0°
N2	C8	C9	H11	81.8°	81.1°
C8	C9	C10	H10	119.0°	118.1°
C8	C9	C10	H11	119.0°	118.1°
C8	C9	C10	C11	38.1°	35.5°
C9	C8	N2	C11	23.4°	24.1°
C8	C9	C10	H12	81.2°	82.9°
C8	C9	C10	H13	157.3°	153.9°
C9	C8	H8	H9	123.2°	122.2°
C8	C9	H10	H11	123.0°	123.9°
C9	C10	C11	H12	119.3°	118.4°
C9	C10	C11	H13	119.3°	118.5°
C9	C10	C11	N2	23.5°	22.2°
C9	C10	H12	H13	122.1°	123.4°
C9	C10	C11	H14	142.6°	97.2°
C9	C10	C11	H15	95.5°	141.8°
C10	C9	C8	H8	81.7°	81.8°
C10	C9	C8	H9	156.1°	156.0°
C10	C9	H10	H11	123.0°	123.9°
C10	C11	N2	H14	119.1°	119.5°
C10	C11	N2	H15	119.1°	119.4°
C11	C10	H12	H13	122.1°	123.1°
C10	C11	H14	H15	122.8°	121.0°
C11	C10	C9	H10	157.0°	153.6°
C11	C10	C9	H11	80.9°	82.6°
C5	C12	C1	H16	180.0°	180.0°
C12	C5	C4	H5	179.3°	180.0°
C12	C1	C2	H3	179.2°	180.0°
C12	C1	N1	H1	0.5°	179.8°
C12	C1	N1	H2	120.5°	0.3°
N2	C11	C10	H12	95.7°	96.2°
N2	C11	C10	H13	142.8°	140.8°
N2	C11	H14	H15	122.7°	121.2°
C11	N2	C8	H8	95.5°	94.8°
C11	N2	C8	H9	142.2°	143.0°
H12	C10	C11	H14	23.3°	144.3°
H12	C10	C11	H15	145.2°	23.4°
H12	C10	C9	H10	37.8°	35.2°
H12	C10	C9	H11	159.9°	159.0°
H13	C10	C11	H14	98.2°	21.3°
H13	C10	C11	H15	23.7°	99.7°
H13	C10	C9	H10	83.7°	88.0°
H13	C10	C9	H11	38.4°	35.8°
H3	C2	C3	H4	0.5°	0.0°
H4	C3	C4	H5	0.2°	0.1°
H8	C8	C9	H10	37.3°	36.2°
H8	C8	C9	H11	159.3°	160.1°
H9	C8	C9	H10	85.0°	86.0°
H9	C8	C9	H11	37.1°	37.9°

Release date:	2026-03-18
Definition date:	2026-03-06
Last modified:	2026-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	13YU