7RI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C03	doub	1.22Å	1.19Å
C01	N02	sing	1.47Å	1.45Å
N05	C04	doub	1.32Å	1.32Å	Aromatic
N05	N06	sing	1.28Å	1.36Å	Aromatic
C03	N02	sing	1.35Å	1.44Å
C03	C04	sing	1.47Å	1.52Å
C04	C10	sing	1.47Å	1.42Å	Aromatic
N06	C07	sing	1.37Å	1.37Å	Aromatic
C07	C10	doub	1.41Å	1.37Å	Aromatic
C07	C08	sing	1.39Å	1.42Å	Aromatic
C10	C11	sing	1.39Å	1.41Å	Aromatic
C08	C09	doub	1.37Å	1.38Å	Aromatic
C11	C12	doub	1.37Å	1.40Å	Aromatic
C09	C12	sing	1.39Å	1.39Å	Aromatic
C12	BR	sing	1.89Å	1.94Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C08	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
N02	H7	sing	0.97Å	1.00Å
N06	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C03	N02	121.0°	120.0°
O14	C03	C04	122.0°	120.0°
C01	N02	C03	119.4°	120.0°
N02	C01	H1	109.5°	109.4°
N02	C01	H2	109.5°	109.5°
N02	C01	H3	109.5°	109.4°
C01	N02	H7	120.3°	120.0°
C04	N05	N06	108.7°	112.0°
N05	C04	C03	122.8°	126.8°
N05	C04	C10	108.6°	106.4°
N05	N06	C07	108.7°	111.2°
N05	N06	H8	125.7°	124.4°
N02	C03	C04	116.9°	120.0°
C03	N02	H7	120.3°	120.0°
C03	C04	C10	128.6°	126.9°
C04	C10	C07	105.8°	104.4°
C04	C10	C11	133.9°	135.5°
N06	C07	C10	108.2°	106.0°
N06	C07	C08	131.9°	134.7°
C07	N06	H8	125.7°	124.4°
C10	C07	C08	119.9°	119.2°
C07	C10	C11	120.3°	120.1°
C07	C08	C09	120.0°	119.8°
C07	C08	H4	120.0°	120.1°
C10	C11	C12	119.5°	119.5°
C10	C11	H6	120.2°	120.3°
C08	C09	C12	120.2°	120.9°
C09	C08	H4	120.0°	120.1°
C08	C09	H5	119.9°	119.6°
C11	C12	C09	120.1°	120.5°
C11	C12	BR	120.4°	119.7°
C12	C11	H6	120.2°	120.2°
C09	C12	BR	119.5°	119.8°
C12	C09	H5	119.9°	119.6°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C03	N02	C01	0.9°	0.1°
O14	C03	C04	N05	168.9°	180.0°
O14	C03	N02	C04	178.4°	180.0°
O14	C03	C04	C10	10.4°	0.0°
O14	C03	N02	H7	179.1°	180.0°
C01	N02	C03	H7	180.0°	179.9°
C01	N02	C03	C04	179.3°	180.0°
N02	C01	H1	H2	120.0°	120.0°
N02	C01	H1	H3	120.0°	119.9°
N02	C01	H2	H3	120.0°	120.0°
N05	C04	C03	N02	9.5°	0.0°
N05	C04	C03	C10	179.3°	180.0°
C04	N05	N06	C07	0.2°	0.1°
N05	C04	C10	C07	0.0°	0.3°
N05	C04	C10	C11	179.9°	180.0°
C04	N05	N06	H8	179.7°	180.0°
N06	N05	C04	C03	179.6°	179.8°
N06	N05	C04	C10	0.2°	0.2°
N05	N06	C07	H8	180.0°	179.9°
N05	N06	C07	C10	0.2°	0.1°
N05	N06	C07	C08	179.9°	179.9°
N02	C03	C04	C10	171.2°	180.0°
C03	N02	C01	H1	180.0°	180.0°
C03	N02	C01	H2	60.0°	59.9°
C03	N02	C01	H3	60.0°	60.1°
C03	C04	C10	C07	179.4°	179.8°
C03	C04	C10	C11	0.5°	0.0°
C04	C03	N02	H7	0.7°	0.0°
C04	C10	C07	N06	0.1°	0.2°
C04	C10	C07	C11	179.9°	179.8°
C04	C10	C07	C08	180.0°	179.8°
C04	C10	C11	C12	179.9°	179.7°
C04	C10	C11	H6	0.1°	0.0°
N06	C07	C10	C08	179.9°	180.0°
N06	C07	C10	C11	179.9°	180.0°
N06	C07	C08	C09	179.6°	180.0°
N06	C07	C08	H4	0.4°	0.0°
C10	C07	C08	C09	0.2°	0.0°
C07	C10	C11	C12	0.1°	0.0°
C10	C07	C08	H4	179.8°	179.9°
C07	C10	C11	H6	179.8°	179.8°
C10	C07	N06	H8	179.8°	179.8°
C08	C07	C10	C11	0.1°	0.0°
C07	C08	C09	H4	180.0°	179.9°
C07	C08	C09	C12	0.4°	0.0°
C07	C08	C09	H5	179.5°	180.0°
C08	C07	N06	H8	0.1°	0.2°
C10	C11	C12	H6	180.0°	179.7°
C10	C11	C12	C09	0.1°	0.0°
C10	C11	C12	BR	179.7°	180.0°
C08	C09	C12	C11	0.4°	0.0°
C08	C09	C12	H5	180.0°	180.0°
C08	C09	C12	BR	180.0°	180.0°
C11	C12	C09	BR	179.6°	180.0°
C11	C12	C09	H5	179.6°	180.0°
C12	C09	C08	H4	179.6°	179.9°
C09	C12	C11	H6	180.0°	179.7°
BR	C12	C09	H5	0.0°	0.0°
BR	C12	C11	H6	0.3°	0.3°
H1	C01	H2	H3	120.0°	120.0°
H1	C01	N02	H7	0.0°	0.1°
H2	C01	N02	H7	120.1°	120.0°
H3	C01	N02	H7	120.0°	120.0°
H4	C08	C09	H5	0.4°	0.1°

Release date:	2021-10-20
Definition date:	2021-08-23
Last modified:	2021-10-15
Release status:	REL
Processing site:	PDBE
Derived from:	7PJ9