RK5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C13	sing	1.39Å	1.34Å
C13	N2	doub	1.33Å	1.35Å	Aromatic
C13	C12	sing	1.39Å	1.40Å	Aromatic
N2	C14	sing	1.33Å	1.35Å	Aromatic
C12	C11	doub	1.40Å	1.39Å	Aromatic
C4	C3	sing	1.51Å	1.50Å
C14	N3	sing	1.39Å	1.32Å
C14	C15	doub	1.39Å	1.41Å	Aromatic
C11	C15	sing	1.40Å	1.39Å	Aromatic
C11	C7	sing	1.48Å	1.49Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.38Å	Aromatic
C7	C8	sing	1.40Å	1.42Å	Aromatic
C3	C5	sing	1.47Å	1.44Å	Aromatic
C3	C2	doub	1.34Å	1.36Å	Aromatic
C5	C10	doub	1.41Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C2	O1	sing	1.34Å	1.38Å	Aromatic
C8	C9	doub	1.38Å	1.37Å	Aromatic
C10	O1	sing	1.35Å	1.37Å	Aromatic
C10	C9	sing	1.39Å	1.37Å	Aromatic
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
N1	H11	sing	0.97Å	1.00Å
N1	H12	sing	0.97Å	1.00Å
N3	H13	sing	0.97Å	1.00Å
N3	H14	sing	0.97Å	1.00Å
C15	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C13	N2	119.2°	119.6°
N1	C13	C12	118.9°	119.6°
C13	N1	H11	109.5°	120.0°
C13	N1	H12	109.4°	120.0°
N2	C13	C12	121.9°	120.8°
C13	N2	C14	117.5°	121.8°
C13	C12	C11	120.8°	119.2°
C13	C12	H10	119.6°	120.4°
N2	C14	N3	117.5°	119.7°
N2	C14	C15	123.1°	120.8°
C12	C11	C15	117.3°	118.3°
C12	C11	C7	119.6°	120.9°
C11	C12	H10	119.6°	120.4°
C4	C3	C5	125.4°	126.9°
C4	C3	C2	128.4°	126.9°
C3	C4	H4	109.5°	109.4°
C3	C4	H5	109.5°	109.5°
C3	C4	H6	109.5°	109.5°
N3	C14	C15	119.4°	119.6°
C14	N3	H13	109.5°	120.0°
C14	N3	H14	109.5°	120.0°
C14	C15	C11	119.0°	119.2°
C14	C15	H15	120.5°	120.4°
C15	C11	C7	122.5°	120.8°
C11	C15	H15	120.5°	120.4°
C11	C7	C6	119.5°	119.9°
C11	C7	C8	121.3°	120.0°
C7	C6	C5	119.0°	119.5°
C6	C7	C8	118.9°	120.1°
C7	C6	H7	120.5°	120.3°
C6	C5	C3	134.4°	134.3°
C6	C5	C10	119.1°	120.2°
C5	C6	H7	120.5°	120.2°
C7	C8	C9	122.7°	120.5°
C7	C8	H8	118.6°	119.7°
C5	C3	C2	106.2°	106.2°
C3	C5	C10	106.4°	105.5°
C3	C2	C1	131.3°	124.9°
C3	C2	O1	111.0°	110.2°
C5	C10	O1	110.0°	107.2°
C5	C10	C9	124.5°	119.6°
C1	C2	O1	117.7°	124.9°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	O1	C10	106.4°	110.9°
C8	C9	C10	115.6°	120.1°
C9	C8	H8	118.6°	119.7°
C8	C9	H9	122.2°	120.0°
O1	C10	C9	125.6°	133.3°
C10	C9	H9	122.2°	119.9°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C4	H5	109.4°	109.5°
H4	C4	H6	109.4°	109.5°
H5	C4	H6	109.5°	109.4°
H11	N1	H12	109.5°	120.0°
H13	N3	H14	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C13	N2	C12	177.9°	180.0°
N1	C13	N2	C14	178.0°	180.0°
N1	C13	C12	C11	177.6°	180.0°
N1	C13	C12	H10	2.3°	0.0°
C13	N1	H11	H12	120.0°	179.9°
N2	C13	C12	C11	0.2°	0.0°
C13	N2	C14	N3	177.2°	179.9°
C13	N2	C14	C15	3.1°	0.0°
N2	C13	C12	H10	179.8°	180.0°
N2	C13	N1	H11	0.0°	0.1°
N2	C13	N1	H12	120.0°	179.9°
C12	C13	N2	C14	4.1°	0.0°
C13	C12	C11	H10	180.0°	180.0°
C13	C12	C11	C15	5.6°	0.0°
C13	C12	C11	C7	176.7°	179.7°
C12	C13	N1	H11	178.0°	179.9°
C12	C13	N1	H12	57.9°	0.1°
N2	C14	N3	C15	179.6°	179.9°
N2	C14	C15	C11	2.3°	0.1°
N2	C14	N3	H13	0.0°	0.1°
N2	C14	N3	H14	120.0°	179.9°
N2	C14	C15	H15	177.7°	179.7°
C12	C11	C15	C14	6.5°	0.0°
C12	C11	C15	C7	170.9°	179.7°
C12	C11	C7	C6	8.2°	0.2°
C12	C11	C7	C8	178.2°	179.8°
C12	C11	C15	H15	173.5°	179.7°
C4	C3	C5	C6	0.5°	0.1°
C4	C3	C5	C2	179.3°	180.0°
C4	C3	C5	C10	179.4°	180.0°
C4	C3	C2	C1	0.5°	0.0°
C4	C3	C2	O1	179.2°	179.7°
C3	C4	H4	H5	120.0°	120.0°
C3	C4	H4	H6	120.0°	120.0°
C3	C4	H5	H6	120.0°	120.0°
N3	C14	C15	C11	177.3°	180.0°
C14	N3	H13	H14	120.0°	179.8°
N3	C14	C15	H15	2.7°	0.2°
C14	C15	C11	H15	180.0°	179.8°
C14	C15	C11	C7	177.3°	179.8°
C15	C14	N3	H13	179.7°	180.0°
C15	C14	N3	H14	60.4°	0.2°
C15	C11	C7	C6	162.5°	180.0°
C15	C11	C7	C8	11.1°	0.0°
C15	C11	C12	H10	174.4°	180.0°
C11	C7	C6	C8	173.7°	180.0°
C11	C7	C6	C5	176.2°	180.0°
C11	C7	C8	C9	174.9°	180.0°
C11	C7	C6	H7	3.8°	0.1°
C11	C7	C8	H8	5.1°	0.0°
C7	C11	C12	H10	3.3°	0.2°
C7	C11	C15	H15	2.7°	0.0°
C7	C6	C5	H7	180.0°	179.9°
C7	C6	C5	C3	178.0°	179.9°
C7	C6	C5	C10	2.1°	0.0°
C6	C7	C8	C9	1.3°	0.0°
C6	C7	C8	H8	178.7°	180.0°
C5	C6	C7	C8	2.5°	0.0°
C6	C5	C3	C10	179.9°	179.9°
C6	C5	C3	C2	179.8°	179.9°
C6	C5	C10	O1	179.7°	179.8°
C6	C5	C10	C9	0.5°	0.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.2°	0.0°
C8	C7	C6	H7	177.5°	179.9°
C7	C8	C9	H9	179.8°	180.0°
C5	C3	C2	C1	178.8°	179.9°
C5	C3	C2	O1	0.1°	0.3°
C3	C5	C10	O1	0.3°	0.3°
C3	C5	C10	C9	179.6°	179.9°
C5	C3	C4	H4	90.4°	90.0°
C5	C3	C4	H5	149.6°	150.0°
C5	C3	C4	H6	29.6°	30.0°
C3	C5	C6	H7	2.0°	0.0°
C2	C3	C5	C10	0.1°	0.0°
C3	C2	C1	O1	178.6°	179.6°
C3	C2	O1	C10	0.2°	0.5°
C3	C2	C1	H1	178.6°	179.7°
C3	C2	C1	H2	58.6°	59.7°
C3	C2	C1	H3	61.3°	60.3°
C2	C3	C4	H4	90.5°	90.0°
C2	C3	C4	H5	29.5°	30.0°
C2	C3	C4	H6	149.6°	150.0°
C5	C10	O1	C2	0.3°	0.5°
C5	C10	C9	C8	0.6°	0.0°
C5	C10	O1	C9	179.8°	179.7°
C10	C5	C6	H7	177.9°	179.9°
C5	C10	C9	H9	179.4°	180.0°
C1	C2	O1	C10	179.1°	179.8°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C2	O1	C10	C9	179.5°	179.8°
O1	C2	C1	H1	0.0°	0.1°
O1	C2	C1	H2	120.0°	119.9°
O1	C2	C1	H3	120.0°	120.1°
C8	C9	C10	O1	179.1°	179.7°
C8	C9	C10	H9	180.0°	180.0°
O1	C10	C9	H9	0.9°	0.3°
C10	C9	C8	H8	179.8°	180.0°
H1	C1	H2	H3	120.0°	120.0°
H4	C4	H5	H6	119.9°	120.0°
H8	C8	C9	H9	0.2°	0.0°

Release date:	2021-05-26
Definition date:	2020-09-30
Last modified:	2021-05-21
Release status:	REL
Processing site:	PDBE
Derived from:	7AKF