R7B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N3	sing	1.34Å	1.38Å	Aromatic
C5	C6	doub	1.35Å	1.35Å	Aromatic
N3	C4	doub	1.32Å	1.33Å	Aromatic
C6	N1	sing	1.37Å	1.37Å	Aromatic
C9	C8	sing	1.53Å	1.53Å
C9	C10	sing	1.53Å	1.52Å
C4	N1	sing	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.47Å	1.41Å
C8	C7	sing	1.53Å	1.53Å
C7	C3	sing	1.51Å	1.52Å
C7	C12	sing	1.53Å	1.53Å
N1	C1	sing	1.34Å	1.38Å
C10	C11	sing	1.53Å	1.52Å
C11	C12	sing	1.53Å	1.53Å
C3	C2	doub	1.35Å	1.36Å
C1	O1	doub	1.22Å	1.21Å
C1	N2	sing	1.34Å	1.36Å
C2	N2	sing	1.38Å	1.37Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
N2	H14	sing	0.97Å	1.00Å
C2	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C5	C6	111.6°	108.7°
C5	N3	C4	105.3°	109.3°
N3	C5	H1	124.2°	125.7°
C5	C6	N1	105.7°	107.1°
C6	C5	H1	124.2°	125.7°
C5	C6	H2	127.1°	126.5°
N3	C4	N1	110.3°	108.2°
N3	C4	C3	129.1°	133.2°
C6	N1	C4	107.0°	106.7°
C6	N1	C1	132.3°	133.3°
N1	C6	H2	127.1°	126.4°
C8	C9	C10	111.7°	109.5°
C9	C8	C7	112.5°	109.5°
C9	C8	H6	108.7°	109.5°
C9	C8	H7	108.7°	109.5°
C8	C9	H8	108.9°	109.4°
C8	C9	H9	108.9°	109.5°
C9	C10	C11	110.5°	109.4°
C10	C9	H8	109.0°	109.5°
C10	C9	H9	108.9°	109.5°
C9	C10	H10	109.2°	109.5°
C9	C10	H11	109.2°	109.5°
N1	C4	C3	120.5°	118.6°
C4	N1	C1	120.7°	120.0°
C4	C3	C7	120.8°	120.8°
C4	C3	C2	117.9°	118.4°
C8	C7	C3	111.7°	109.5°
C8	C7	C12	109.2°	109.5°
C8	C7	H5	106.9°	109.4°
C7	C8	H6	108.7°	109.4°
C7	C8	H7	108.7°	109.4°
C3	C7	C12	114.7°	109.5°
C7	C3	C2	121.2°	120.9°
C3	C7	H5	107.0°	109.5°
C7	C12	C11	110.5°	109.5°
C12	C7	H5	106.9°	109.5°
C7	C12	H12	109.2°	109.5°
C7	C12	H13	109.2°	109.5°
N1	C1	O1	123.2°	119.3°
N1	C1	N2	116.9°	121.5°
C10	C11	C12	110.1°	109.4°
C10	C11	H3	109.3°	109.5°
C10	C11	H4	109.3°	109.5°
C11	C10	H10	109.2°	109.4°
C11	C10	H11	109.2°	109.5°
C12	C11	H3	109.3°	109.4°
C12	C11	H4	109.3°	109.5°
C11	C12	H12	109.2°	109.5°
C11	C12	H13	109.2°	109.4°
C3	C2	N2	120.1°	120.0°
C3	C2	H15	120.0°	120.0°
O1	C1	N2	119.9°	119.3°
C1	N2	C2	123.8°	121.6°
C1	N2	H14	118.1°	119.2°
C2	N2	H14	118.1°	119.2°
N2	C2	H15	119.9°	120.0°
H3	C11	H4	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H8	C9	H9	109.4°	109.5°
H10	C10	H11	109.5°	109.5°
H12	C12	H13	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C5	C6	H1	180.0°	179.7°
N3	C5	C6	N1	0.2°	0.4°
C5	N3	C4	N1	0.0°	0.0°
C5	N3	C4	C3	179.3°	179.7°
N3	C5	C6	H2	179.8°	180.0°
C6	C5	N3	C4	0.1°	0.3°
C5	C6	N1	H2	180.0°	179.6°
C5	C6	N1	C4	0.2°	0.4°
C5	C6	N1	C1	179.8°	179.6°
N3	C4	N1	C6	0.1°	0.3°
N3	C4	N1	C3	179.3°	179.7°
N3	C4	C3	C7	0.9°	0.4°
N3	C4	N1	C1	179.8°	179.8°
N3	C4	C3	C2	178.4°	179.7°
C4	N3	C5	H1	179.9°	180.0°
C6	N1	C4	C1	179.7°	180.0°
C6	N1	C4	C3	179.4°	180.0°
C6	N1	C1	O1	0.2°	0.0°
C6	N1	C1	N2	179.3°	180.0°
N1	C6	C5	H1	179.9°	179.8°
C8	C9	C10	H8	120.3°	119.9°
C8	C9	C10	H9	120.4°	120.0°
C9	C8	C7	H6	120.5°	120.0°
C9	C8	C7	H7	120.4°	120.0°
C9	C8	C7	C3	177.6°	180.0°
C9	C8	C7	C12	54.5°	60.0°
C8	C9	C10	C11	54.8°	60.1°
C9	C8	C7	H5	60.8°	60.0°
C9	C8	H6	H7	118.6°	120.1°
C8	C9	H8	H9	119.0°	120.0°
C8	C9	C10	H10	65.3°	180.0°
C8	C9	C10	H11	175.0°	60.0°
C10	C9	C8	C7	53.6°	60.0°
C9	C10	C11	H10	120.1°	120.0°
C9	C10	C11	H11	120.2°	120.1°
C9	C10	C11	C12	58.5°	60.1°
C9	C10	C11	H3	178.5°	180.0°
C9	C10	C11	H4	61.6°	59.9°
C10	C9	C8	H6	174.1°	59.9°
C10	C9	C8	H7	66.9°	180.0°
C10	C9	H8	H9	119.0°	120.1°
C9	C10	H10	H11	119.6°	120.1°
N1	C4	C3	C7	178.3°	180.0°
N1	C4	C3	C2	0.7°	0.0°
C4	N1	C1	O1	179.8°	180.0°
C4	N1	C1	N2	1.1°	0.0°
C4	N1	C6	H2	179.8°	180.0°
C4	C3	C7	C8	84.4°	60.0°
C4	C3	C7	C2	177.4°	180.0°
C4	C3	C7	C12	150.7°	60.0°
C3	C4	N1	C1	0.9°	0.0°
C4	C3	C2	N2	2.1°	0.0°
C4	C3	C7	H5	32.3°	180.0°
C4	C3	C2	H15	177.9°	180.0°
C8	C7	C3	C12	124.9°	120.0°
C8	C7	C3	H5	116.7°	120.0°
C8	C7	C12	H5	115.3°	120.0°
C8	C7	C12	C11	57.8°	60.0°
C8	C7	C3	C2	93.1°	120.0°
C7	C8	H6	H7	118.6°	119.9°
C7	C8	C9	H8	174.0°	180.0°
C7	C8	C9	H9	66.7°	60.0°
C8	C7	C12	H12	178.0°	60.0°
C8	C7	C12	H13	62.3°	179.9°
C3	C7	C12	H5	118.5°	120.0°
C3	C7	C12	C11	175.9°	180.0°
C7	C3	C2	N2	179.6°	180.0°
C3	C7	C8	H6	57.2°	60.0°
C3	C7	C8	H7	61.9°	59.9°
C3	C7	C12	H12	55.7°	60.1°
C3	C7	C12	H13	64.0°	60.0°
C7	C3	C2	H15	0.4°	0.0°
C7	C12	C11	C10	60.8°	60.0°
C7	C12	C11	H12	120.2°	120.0°
C7	C12	C11	H13	120.2°	120.0°
C12	C7	C3	C2	31.9°	120.0°
C7	C12	C11	H3	179.2°	180.0°
C7	C12	C11	H4	59.4°	60.0°
C12	C7	C8	H6	174.9°	60.0°
C12	C7	C8	H7	66.0°	180.0°
C7	C12	H12	H13	119.5°	120.1°
N1	C1	O1	N2	179.1°	180.0°
N1	C1	N2	C2	0.2°	0.0°
C1	N1	C6	H2	0.2°	0.0°
N1	C1	N2	H14	179.8°	180.0°
C10	C11	C12	H3	120.1°	120.0°
C10	C11	C12	H4	120.1°	120.0°
C10	C11	H3	H4	119.7°	120.1°
C11	C10	C9	H8	175.1°	180.0°
C11	C10	C9	H9	65.5°	59.9°
C11	C10	H10	H11	119.6°	120.0°
C10	C11	C12	H12	179.1°	60.0°
C10	C11	C12	H13	59.4°	180.0°
C12	C11	H3	H4	119.7°	120.0°
C11	C12	C7	H5	57.4°	60.0°
C12	C11	C10	H10	61.7°	180.0°
C12	C11	C10	H11	178.6°	60.0°
C11	C12	H12	H13	119.5°	120.0°
C3	C2	N2	C1	1.9°	0.0°
C3	C2	N2	H15	180.0°	180.0°
C2	C3	C7	H5	150.3°	0.0°
C3	C2	N2	H14	178.1°	180.0°
O1	C1	N2	C2	178.9°	180.0°
O1	C1	N2	H14	1.1°	0.0°
C1	N2	C2	H14	180.0°	179.9°
C1	N2	C2	H15	178.1°	180.0°
H1	C5	C6	H2	0.1°	0.2°
H3	C11	C10	H10	58.4°	60.1°
H3	C11	C10	H11	61.3°	59.9°
H3	C11	C12	H12	59.0°	60.0°
H3	C11	C12	H13	60.7°	60.0°
H4	C11	C10	H10	178.2°	60.0°
H4	C11	C10	H11	58.5°	180.0°
H4	C11	C12	H12	60.8°	180.0°
H4	C11	C12	H13	179.5°	60.0°
H5	C7	C8	H6	59.6°	180.0°
H5	C7	C8	H7	178.7°	60.0°
H5	C7	C12	H12	62.7°	180.0°
H5	C7	C12	H13	177.6°	60.0°
H6	C8	C9	H8	65.6°	60.0°
H6	C8	C9	H9	53.7°	180.0°
H7	C8	C9	H8	53.5°	60.1°
H7	C8	C9	H9	172.8°	59.9°
H8	C9	C10	H10	55.0°	60.1°
H8	C9	C10	H11	64.7°	60.0°
H9	C9	C10	H10	174.3°	60.0°
H9	C9	C10	H11	54.6°	180.0°
H14	N2	C2	H15	1.9°	0.1°

Release date:	2021-03-24
Definition date:	2020-09-14
Last modified:	2021-03-19
Release status:	REL
Processing site:	PDBE
Derived from:	7ACK