A1CRA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	C06	doub	1.38Å	1.44Å	Aromatic
C05	C04	sing	1.38Å	1.43Å	Aromatic
C06	C07	sing	1.39Å	1.39Å	Aromatic
C03	C04	sing	1.51Å	1.57Å
C03	C02	sing	1.53Å	1.61Å
C04	C09	doub	1.38Å	1.42Å	Aromatic
C07	O11	sing	1.36Å	1.46Å
C07	C08	doub	1.39Å	1.36Å	Aromatic
N01	C02	sing	1.47Å	1.48Å
C09	C08	sing	1.38Å	1.41Å	Aromatic
C08	I10	sing	2.09Å	2.08Å
N01	H1	sing	1.01Å	1.00Å
N01	H2	sing	1.01Å	1.00Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C05	H8	sing	1.08Å	1.08Å
C06	H9	sing	1.08Å	1.08Å
C09	H10	sing	1.08Å	1.08Å
O11	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C05	C04	120.6°	120.0°
C05	C06	C07	117.7°	120.0°
C06	C05	H8	119.7°	120.0°
C05	C06	H9	121.1°	120.0°
C05	C04	C03	119.8°	119.9°
C05	C04	C09	117.8°	120.1°
C04	C05	H8	119.7°	120.0°
C06	C07	O11	117.4°	120.1°
C06	C07	C08	123.7°	119.9°
C07	C06	H9	121.2°	120.0°
C04	C03	C02	118.1°	109.5°
C03	C04	C09	122.4°	120.0°
C04	C03	H6	107.3°	109.5°
C04	C03	H7	107.3°	109.5°
C03	C02	N01	114.2°	109.5°
C03	C02	H4	108.3°	109.4°
C03	C02	H5	108.3°	109.5°
C02	C03	H6	107.3°	109.5°
C02	C03	H7	107.3°	109.5°
C04	C09	C08	121.0°	120.1°
C04	C09	H10	119.5°	120.0°
O11	C07	C08	118.9°	120.0°
C07	O11	H11	109.5°	114.0°
C07	C08	C09	119.2°	119.9°
C07	C08	I10	123.8°	120.0°
C02	N01	H1	109.5°	111.0°
C02	N01	H2	109.5°	111.0°
N01	C02	H4	108.3°	109.5°
N01	C02	H5	108.3°	109.5°
C09	C08	I10	117.0°	120.1°
C08	C09	H10	119.5°	119.9°
H1	N01	H2	109.5°	111.0°
H4	C02	H5	109.5°	109.5°
H6	C03	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C05	C04	H8	180.0°	180.0°
C05	C06	C07	H9	180.0°	180.0°
C06	C05	C04	C03	179.6°	180.0°
C06	C05	C04	C09	0.2°	0.3°
C05	C06	C07	O11	179.7°	180.0°
C05	C06	C07	C08	0.7°	0.0°
C04	C05	C06	C07	0.3°	0.0°
C05	C04	C03	C09	179.3°	179.7°
C05	C04	C03	C02	179.7°	89.7°
C05	C04	C09	C08	0.4°	0.5°
C05	C04	C03	H6	58.5°	150.3°
C05	C04	C03	H7	59.1°	30.3°
C04	C05	C06	H9	179.7°	180.0°
C05	C04	C09	H10	179.5°	179.7°
C06	C07	O11	C08	179.6°	179.9°
C06	C07	C08	C09	0.5°	0.3°
C06	C07	C08	I10	179.6°	180.0°
C07	C06	C05	H8	179.7°	180.0°
C06	C07	O11	H11	180.0°	90.0°
C04	C03	C02	H6	121.2°	120.0°
C04	C03	C02	H7	121.2°	120.0°
C04	C03	C02	N01	125.9°	180.0°
C03	C04	C09	C08	179.8°	179.8°
C04	C03	C02	H4	5.2°	60.0°
C04	C03	C02	H5	113.4°	60.0°
C04	C03	H6	H7	116.1°	120.0°
C03	C04	C05	H8	0.4°	0.0°
C03	C04	C09	H10	0.2°	0.0°
C02	C03	C04	C09	0.4°	90.0°
C03	C02	N01	H4	120.7°	120.0°
C03	C02	N01	H5	120.7°	120.0°
C03	C02	N01	H1	180.0°	180.0°
C03	C02	N01	H2	60.0°	56.1°
C03	C02	H4	H5	117.8°	120.0°
C02	C03	H6	H7	116.1°	120.0°
C04	C09	C08	C07	0.1°	0.5°
C04	C09	C08	H10	180.0°	179.9°
C04	C09	C08	I10	179.8°	179.7°
C09	C04	C03	H6	120.8°	30.0°
C09	C04	C03	H7	121.7°	150.0°
C09	C04	C05	H8	179.8°	179.7°
O11	C07	C08	C09	179.9°	179.8°
O11	C07	C08	I10	0.1°	0.0°
O11	C07	C06	H9	0.2°	0.1°
C07	C08	C09	I10	179.9°	179.8°
C08	C07	C06	H9	179.3°	180.0°
C07	C08	C09	H10	179.9°	179.7°
C08	C07	O11	H11	0.4°	90.0°
C02	N01	H1	H2	120.0°	124.0°
N01	C02	H4	H5	117.9°	120.0°
N01	C02	C03	H6	112.9°	60.0°
N01	C02	C03	H7	4.7°	60.0°
I10	C08	C09	H10	0.2°	0.1°
H1	N01	C02	H4	59.3°	60.0°
H1	N01	C02	H5	59.3°	60.0°
H2	N01	C02	H4	179.3°	63.9°
H2	N01	C02	H5	60.7°	176.1°
H4	C02	C03	H6	126.4°	180.0°
H4	C02	C03	H7	116.0°	60.0°
H5	C02	C03	H6	7.8°	60.0°
H5	C02	C03	H7	125.4°	180.0°
H8	C05	C06	H9	0.3°	0.0°

Release date:	2025-10-22
Definition date:	2025-08-26
Last modified:	2025-10-17
Release status:	REL
Processing site:	RCSB
Derived from:	7IBA