KJN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N7	C6	sing	1.47Å	1.48Å
O5	C4	doub	1.21Å	1.23Å
C1	N2	sing	1.47Å	1.46Å
C4	C6	sing	1.51Å	1.52Å
C4	N2	sing	1.35Å	1.35Å
C6	C8	sing	1.53Å	1.52Å
N2	C3	sing	1.46Å	1.45Å
C8	C9	sing	1.53Å	1.50Å
C9	C10	sing	1.51Å	1.51Å
C10	C11	doub	1.38Å	1.39Å	Aromatic
C10	C15	sing	1.38Å	1.38Å	Aromatic
C11	C12	sing	1.38Å	1.37Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.37Å	Aromatic
C1	H22	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å
C1	H21	sing	1.09Å	1.10Å
C3	H23	sing	1.09Å	1.10Å
C3	H25	sing	1.09Å	1.10Å
C3	H24	sing	1.09Å	1.10Å
C6	H16	sing	1.09Å	1.10Å
C8	H27	sing	1.09Å	1.10Å
C8	H26	sing	1.09Å	1.10Å
C11	H30	sing	1.08Å	1.08Å
C12	H31	sing	1.08Å	1.08Å
C13	H32	sing	1.08Å	1.08Å
C14	H33	sing	1.08Å	1.08Å
C15	H34	sing	1.08Å	1.08Å
N7	H18	sing	1.01Å	1.00Å
N7	H17	sing	1.01Å	1.00Å
N7	H19	sing	1.01Å	1.00Å
C9	H29	sing	1.09Å	1.10Å
C9	H28	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N7	C6	C4	107.8°	109.5°
N7	C6	C8	110.4°	109.5°
N7	C6	H16	110.4°	109.5°
C6	N7	H18	109.5°	109.5°
C6	N7	H17	109.5°	109.5°
C6	N7	H19	109.4°	109.5°
O5	C4	C6	116.3°	120.0°
O5	C4	N2	122.9°	120.0°
C1	N2	C4	122.8°	120.0°
C1	N2	C3	114.0°	120.0°
N2	C1	H22	109.5°	109.4°
N2	C1	H20	109.5°	109.5°
N2	C1	H21	109.4°	109.5°
C6	C4	N2	120.8°	120.0°
C4	C6	C8	108.6°	109.5°
C4	C6	H16	109.8°	109.5°
C4	N2	C3	121.4°	120.0°
C6	C8	C9	115.6°	109.5°
C8	C6	H16	109.8°	109.5°
C6	C8	H27	107.9°	109.4°
C6	C8	H26	107.9°	109.4°
N2	C3	H23	109.5°	109.5°
N2	C3	H25	109.5°	109.5°
N2	C3	H24	109.5°	109.5°
C8	C9	C10	109.8°	109.5°
C9	C8	H27	107.9°	109.5°
C9	C8	H26	107.9°	109.5°
C8	C9	H29	109.4°	109.4°
C8	C9	H28	109.4°	109.5°
C9	C10	C11	120.7°	120.0°
C9	C10	C15	120.6°	120.0°
C10	C9	H29	109.4°	109.5°
C10	C9	H28	109.4°	109.4°
C11	C10	C15	118.6°	120.0°
C10	C11	C12	120.7°	120.0°
C10	C11	H30	119.7°	120.0°
C10	C15	C14	120.8°	120.0°
C10	C15	H34	119.6°	120.0°
C11	C12	C13	120.0°	120.0°
C12	C11	H30	119.7°	120.0°
C11	C12	H31	120.0°	120.0°
C15	C14	C13	119.9°	120.0°
C15	C14	H33	120.1°	120.0°
C14	C15	H34	119.6°	120.0°
C12	C13	C14	120.0°	120.0°
C13	C12	H31	120.0°	120.0°
C12	C13	H32	120.0°	120.0°
C14	C13	H32	120.0°	119.9°
C13	C14	H33	120.0°	120.0°
H22	C1	H20	109.4°	109.5°
H22	C1	H21	109.5°	109.4°
H20	C1	H21	109.5°	109.5°
H23	C3	H25	109.4°	109.5°
H23	C3	H24	109.5°	109.5°
H25	C3	H24	109.5°	109.5°
H27	C8	H26	109.4°	109.4°
H18	N7	H17	109.5°	109.4°
H18	N7	H19	109.5°	109.5°
H17	N7	H19	109.4°	109.5°
H29	C9	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N7	C6	C4	O5	40.5°	20.0°
N7	C6	C4	C8	119.6°	120.0°
N7	C6	C4	H16	120.3°	120.0°
N7	C6	C4	N2	139.7°	160.0°
N7	C6	C8	H16	121.9°	120.0°
N7	C6	C8	C9	83.3°	65.0°
N7	C6	C8	H27	155.7°	175.0°
N7	C6	C8	H26	37.6°	55.0°
C6	N7	H18	H17	120.0°	120.0°
C6	N7	H18	H19	120.0°	120.0°
C6	N7	H17	H19	119.9°	120.1°
O5	C4	N2	C1	5.4°	0.0°
O5	C4	C6	N2	179.9°	180.0°
O5	C4	C6	C8	79.1°	100.0°
O5	C4	N2	C3	169.5°	180.0°
O5	C4	C6	H16	160.7°	140.0°
C1	N2	C4	C6	174.7°	180.0°
C1	N2	C4	C3	164.1°	180.0°
N2	C1	H22	H20	120.0°	120.0°
N2	C1	H22	H21	120.0°	120.0°
N2	C1	H20	H21	120.0°	120.0°
C1	N2	C3	H23	180.0°	90.0°
C1	N2	C3	H25	60.0°	150.0°
C1	N2	C3	H24	60.0°	30.0°
C4	C6	C8	H16	120.2°	120.0°
C6	C4	N2	C3	10.6°	0.0°
C4	C6	C8	C9	158.7°	175.0°
C4	C6	C8	H27	37.8°	55.0°
C4	C6	C8	H26	80.4°	65.0°
C4	C6	N7	H18	180.0°	59.9°
C4	C6	N7	H17	60.0°	60.0°
C4	C6	N7	H19	60.0°	180.0°
N2	C4	C6	C8	100.7°	80.0°
C4	N2	C1	H22	180.0°	180.0°
C4	N2	C1	H20	60.0°	60.0°
C4	N2	C1	H21	60.0°	60.0°
C4	N2	C3	H23	14.6°	90.0°
C4	N2	C3	H25	105.4°	30.0°
C4	N2	C3	H24	134.6°	150.0°
N2	C4	C6	H16	19.4°	40.0°
C6	C8	C9	H27	120.9°	120.0°
C6	C8	C9	H26	120.9°	120.0°
C6	C8	C9	C10	169.3°	180.0°
C6	C8	H27	H26	117.2°	119.9°
C8	C6	N7	H18	61.5°	60.0°
C8	C6	N7	H17	58.5°	180.0°
C8	C6	N7	H19	178.4°	60.0°
C6	C8	C9	H29	70.6°	60.0°
C6	C8	C9	H28	49.3°	60.0°
C3	N2	C1	H22	14.8°	0.0°
C3	N2	C1	H20	105.2°	120.0°
C3	N2	C1	H21	134.8°	120.0°
N2	C3	H23	H25	120.0°	120.0°
N2	C3	H23	H24	120.0°	120.0°
N2	C3	H25	H24	120.0°	120.0°
C8	C9	C10	H29	120.0°	120.0°
C8	C9	C10	H28	120.1°	120.0°
C8	C9	C10	C11	85.2°	90.0°
C8	C9	C10	C15	91.6°	90.3°
C9	C8	C6	H16	38.6°	55.0°
C9	C8	H27	H26	117.2°	120.1°
C8	C9	H29	H28	119.9°	120.0°
C9	C10	C11	C15	176.8°	179.7°
C9	C10	C11	C12	178.1°	179.7°
C9	C10	C15	C14	178.5°	179.7°
C10	C9	C8	H27	48.4°	60.0°
C10	C9	C8	H26	69.8°	60.0°
C9	C10	C11	H30	1.9°	0.3°
C9	C10	C15	H34	1.5°	0.3°
C10	C9	H29	H28	119.9°	120.0°
C10	C11	C12	H30	180.0°	180.0°
C11	C10	C15	C14	1.6°	0.0°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	H31	179.6°	179.9°
C11	C10	C15	H34	178.3°	180.0°
C11	C10	C9	H29	34.8°	30.0°
C11	C10	C9	H28	154.8°	150.0°
C15	C10	C11	C12	1.3°	0.0°
C10	C15	C14	H34	180.0°	180.0°
C10	C15	C14	C13	1.1°	0.0°
C15	C10	C11	H30	178.7°	180.0°
C10	C15	C14	H33	178.9°	180.0°
C15	C10	C9	H29	148.4°	149.8°
C15	C10	C9	H28	28.5°	29.7°
C11	C12	C13	H31	180.0°	179.9°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	H32	179.9°	179.9°
C15	C14	C13	C12	0.2°	0.0°
C15	C14	C13	H33	180.0°	180.0°
C15	C14	C13	H32	179.8°	179.9°
C12	C13	C14	H32	180.0°	180.0°
C13	C12	C11	H30	179.6°	180.0°
C12	C13	C14	H33	179.8°	180.0°
C14	C13	C12	H31	179.9°	179.9°
C13	C14	C15	H34	178.8°	180.0°
H22	C1	H20	H21	120.0°	120.0°
H23	C3	H25	H24	120.0°	120.0°
H16	C6	C8	H27	82.4°	65.0°
H16	C6	C8	H26	159.5°	175.0°
H16	C6	N7	H18	60.1°	180.0°
H16	C6	N7	H17	179.9°	60.0°
H16	C6	N7	H19	60.0°	60.0°
H27	C8	C9	H29	168.5°	180.0°
H27	C8	C9	H28	71.6°	60.0°
H26	C8	C9	H29	50.3°	60.0°
H26	C8	C9	H28	170.2°	180.0°
H30	C11	C12	H31	0.4°	0.1°
H31	C12	C13	H32	0.1°	0.1°
H32	C13	C14	H33	0.2°	0.0°
H33	C14	C15	H34	1.2°	0.0°
H18	N7	H17	H19	120.0°	120.0°

Release date:	2022-09-21
Definition date:	2022-05-26
Last modified:	2022-09-16
Release status:	REL
Processing site:	PDBE
Derived from:	7ZZR