A1JZT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.51Å
C2	C3	sing	1.53Å	1.50Å
C3	C4	sing	1.53Å	1.52Å
C4	C5	sing	1.51Å	1.49Å
C5	C6	doub	1.35Å	1.36Å	Aromatic
C6	N7	sing	1.35Å	1.34Å	Aromatic
N7	C8	sing	1.46Å	1.46Å
C8	C9	sing	1.51Å	1.51Å
C9	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.39Å	1.39Å	Aromatic
C12	O13	sing	1.36Å	1.39Å
O13	C14	sing	1.36Å	1.39Å
C14	C15	doub	1.39Å	1.39Å	Aromatic
C15	C16	sing	1.37Å	1.38Å	Aromatic
C16	C17	doub	1.40Å	1.40Å	Aromatic
C17	C18	sing	1.47Å	1.47Å
C18	O19	doub	1.21Å	1.21Å
C17	C20	sing	1.40Å	1.39Å	Aromatic
C20	C21	doub	1.37Å	1.38Å	Aromatic
C12	C22	sing	1.39Å	1.40Å	Aromatic
C22	O23	sing	1.36Å	1.36Å
C22	C24	doub	1.39Å	1.38Å	Aromatic
N7	N25	sing	1.29Å	1.34Å	Aromatic
N25	N26	doub	1.29Å	1.31Å	Aromatic
N26	C5	sing	1.34Å	1.36Å	Aromatic
C24	C9	sing	1.38Å	1.39Å	Aromatic
C21	C14	sing	1.39Å	1.39Å	Aromatic
C4	H4A	sing	1.09Å	1.10Å
C4	H4B	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å
C10	H10	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C1	H1B	sing	1.09Å	1.10Å
C1	H1C	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
O23	H23	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	114.1°	109.4°
C2	C1	H1B	109.5°	109.4°
C2	C1	H1C	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C1	C2	H2B	108.3°	109.5°
C1	C2	H2A	108.3°	109.5°
C2	C3	C4	116.1°	109.5°
C3	C2	H2B	108.3°	109.5°
C3	C2	H2A	108.3°	109.5°
C2	C3	H3B	107.8°	109.5°
C2	C3	H3A	107.8°	109.4°
C3	C4	C5	113.9°	109.5°
C3	C4	H4A	108.4°	109.5°
C3	C4	H4B	108.4°	109.4°
C4	C3	H3B	107.8°	109.5°
C4	C3	H3A	107.8°	109.4°
C4	C5	C6	130.7°	126.8°
C4	C5	N26	121.2°	126.7°
C5	C4	H4A	108.4°	109.5°
C5	C4	H4B	108.4°	109.4°
C5	C6	N7	104.9°	106.2°
C6	C5	N26	108.1°	106.5°
C5	C6	H6	127.6°	126.9°
C6	N7	C8	129.1°	125.9°
C6	N7	N25	111.0°	108.2°
N7	C6	H6	127.6°	126.9°
N7	C8	C9	111.0°	109.5°
C8	N7	N25	119.9°	125.9°
N7	C8	H8A	109.1°	109.5°
N7	C8	H8B	109.1°	109.5°
C8	C9	C10	121.0°	119.9°
C8	C9	C24	120.0°	120.0°
C9	C8	H8A	109.1°	109.4°
C9	C8	H8B	109.1°	109.5°
C9	C10	C11	121.2°	120.2°
C10	C9	C24	119.0°	120.1°
C9	C10	H10	119.4°	119.9°
C10	C11	C12	119.3°	120.0°
C11	C10	H10	119.4°	119.9°
C10	C11	H11	120.4°	120.0°
C11	C12	O13	123.7°	120.1°
C11	C12	C22	120.1°	119.9°
C12	C11	H11	120.3°	120.0°
C12	O13	C14	121.1°	118.0°
O13	C12	C22	116.2°	120.0°
O13	C14	C15	121.9°	119.9°
O13	C14	C21	117.2°	119.9°
C14	C15	C16	119.6°	120.1°
C15	C14	C21	120.1°	120.2°
C14	C15	H15	120.2°	120.0°
C15	C16	C17	121.3°	119.9°
C16	C15	H15	120.2°	119.9°
C15	C16	H16	119.3°	120.1°
C16	C17	C18	120.5°	120.1°
C16	C17	C20	118.1°	119.8°
C17	C16	H16	119.4°	120.1°
C17	C18	O19	124.8°	120.0°
C18	C17	C20	121.3°	120.1°
C17	C18	H18	117.6°	120.0°
O19	C18	H18	117.6°	120.0°
C17	C20	C21	121.1°	119.9°
C17	C20	H20	119.5°	120.0°
C20	C21	C14	119.7°	120.1°
C21	C20	H20	119.5°	120.1°
C20	C21	H21	120.1°	120.0°
C12	C22	O23	120.0°	120.1°
C12	C22	C24	119.7°	119.8°
O23	C22	C24	120.3°	120.1°
C22	O23	H23	109.5°	114.1°
C22	C24	C9	120.7°	120.0°
C22	C24	H24	119.7°	120.0°
N7	N25	N26	106.9°	110.2°
N25	N26	C5	109.2°	108.9°
C9	C24	H24	119.7°	120.0°
C14	C21	H21	120.1°	119.9°
H4A	C4	H4B	109.5°	109.5°
H8A	C8	H8B	109.5°	109.4°
H1B	C1	H1C	109.5°	109.5°
H1B	C1	H1A	109.4°	109.5°
H1C	C1	H1A	109.5°	109.4°
H2B	C2	H2A	109.5°	109.5°
H3B	C3	H3A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H2B	120.7°	120.0°
C1	C2	C3	H2A	120.6°	120.0°
C1	C2	C3	C4	158.5°	180.0°
C2	C1	H1B	H1C	120.0°	120.0°
C2	C1	H1B	H1A	120.0°	120.0°
C2	C1	H1C	H1A	120.0°	120.0°
C1	C2	H2B	H2A	117.9°	120.0°
C1	C2	C3	H3B	80.5°	60.0°
C1	C2	C3	H3A	37.5°	60.0°
C2	C3	C4	H3B	121.0°	120.1°
C2	C3	C4	H3A	120.9°	119.9°
C2	C3	C4	C5	50.6°	180.0°
C2	C3	C4	H4A	171.3°	59.9°
C2	C3	C4	H4B	70.0°	60.1°
C3	C2	C1	H1B	180.0°	180.0°
C3	C2	C1	H1C	60.0°	60.0°
C3	C2	C1	H1A	60.0°	60.0°
C3	C2	H2B	H2A	117.9°	120.0°
C2	C3	H3B	H3A	116.9°	120.0°
C3	C4	C5	H4A	120.6°	120.1°
C3	C4	C5	H4B	120.7°	119.9°
C3	C4	C5	C6	47.9°	125.0°
C3	C4	C5	N26	130.9°	55.4°
C3	C4	H4A	H4B	118.0°	120.0°
C4	C3	C2	H2B	37.8°	60.0°
C4	C3	C2	H2A	80.8°	60.0°
C4	C3	H3B	H3A	117.0°	120.0°
C4	C5	C6	N26	179.0°	179.6°
C4	C5	C6	N7	178.9°	179.9°
C4	C5	N26	N25	179.1°	179.9°
C5	C4	H4A	H4B	118.0°	120.0°
C4	C5	C6	H6	1.1°	0.2°
C5	C4	C3	H3B	70.3°	59.9°
C5	C4	C3	H3A	171.6°	60.1°
C5	C6	N7	H6	180.0°	179.9°
C5	C6	N7	C8	179.9°	180.0°
C5	C6	N7	N25	0.2°	0.1°
C6	C5	N26	N25	0.0°	0.5°
C6	C5	C4	H4A	72.7°	114.9°
C6	C5	C4	H4B	168.6°	5.1°
C6	N7	C8	N25	179.9°	180.0°
C6	N7	C8	C9	89.0°	125.0°
C6	N7	N25	N26	0.2°	0.2°
N7	C6	C5	N26	0.1°	0.3°
C6	N7	C8	H8A	150.8°	115.0°
C6	N7	C8	H8B	31.3°	5.0°
N7	C8	C9	H8A	120.2°	120.0°
N7	C8	C9	H8B	120.2°	120.1°
N7	C8	C9	C10	71.9°	90.0°
C8	N7	N25	N26	179.9°	179.8°
N7	C8	C9	C24	107.6°	89.9°
C8	N7	C6	H6	0.1°	0.1°
N7	C8	H8A	H8B	119.3°	120.0°
C8	C9	C10	C24	179.5°	179.9°
C8	C9	C10	C11	179.7°	180.0°
C8	C9	C24	C22	179.4°	179.5°
C9	C8	N7	N25	90.9°	55.0°
C9	C8	H8A	H8B	119.3°	120.0°
C8	C9	C10	H10	0.3°	0.4°
C8	C9	C24	H24	0.6°	0.6°
C9	C10	C11	H10	180.0°	179.7°
C9	C10	C11	C12	0.5°	0.3°
C10	C9	C24	C22	0.1°	0.4°
C10	C9	C8	H8A	48.4°	150.0°
C10	C9	C8	H8B	167.9°	30.1°
C10	C9	C24	H24	179.9°	179.5°
C9	C10	C11	H11	179.5°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	O13	179.3°	180.0°
C10	C11	C12	C22	0.4°	0.0°
C11	C10	C9	C24	0.2°	0.1°
C11	C12	O13	C22	179.8°	180.0°
C11	C12	O13	C14	79.8°	0.5°
C11	C12	C22	O23	178.9°	179.7°
C11	C12	C22	C24	0.1°	0.5°
C12	C11	C10	H10	179.5°	180.0°
C12	O13	C14	C15	2.0°	89.9°
O13	C12	C22	O23	1.4°	0.3°
O13	C12	C22	C24	179.7°	179.6°
C12	O13	C14	C21	168.5°	90.1°
O13	C12	C11	H11	0.7°	0.0°
O13	C14	C15	C21	170.2°	180.0°
O13	C14	C15	C16	169.1°	179.9°
O13	C14	C21	C20	169.4°	179.4°
C14	O13	C12	C22	100.0°	179.5°
O13	C14	C15	H15	10.9°	0.3°
O13	C14	C21	H21	10.6°	0.3°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	C17	0.4°	0.2°
C15	C14	C21	C20	1.2°	0.6°
C15	C14	C21	H21	178.8°	179.7°
C14	C15	C16	H16	179.6°	179.7°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	177.1°	180.0°
C15	C16	C17	C20	0.2°	0.0°
C16	C15	C14	C21	1.1°	0.1°
C16	C17	C18	C20	177.2°	180.0°
C16	C17	C18	O19	180.0°	0.0°
C16	C17	C20	C21	0.1°	0.6°
C17	C16	C15	H15	179.6°	180.0°
C16	C17	C20	H20	179.9°	180.0°
C16	C17	C18	H18	0.0°	180.0°
C17	C18	O19	H18	180.0°	180.0°
C18	C17	C20	C21	177.2°	179.5°
C18	C17	C20	H20	2.8°	0.0°
C18	C17	C16	H16	2.9°	0.1°
O19	C18	C17	C20	2.8°	180.0°
C17	C20	C21	H20	180.0°	179.4°
C17	C20	C21	C14	0.6°	0.8°
C17	C20	C21	H21	179.4°	180.0°
C20	C17	C16	H16	179.8°	180.0°
C20	C17	C18	H18	177.2°	0.0°
C20	C21	C14	H21	180.0°	179.1°
C12	C22	O23	C24	178.9°	179.2°
C12	C22	C24	C9	0.2°	0.7°
C12	C22	C24	H24	179.8°	179.2°
C22	C12	C11	H11	179.6°	180.0°
C12	C22	O23	H23	180.0°	89.2°
O23	C22	C24	C9	179.1°	179.9°
O23	C22	C24	H24	0.9°	0.1°
C22	C24	C9	H24	180.0°	179.9°
C24	C22	O23	H23	1.1°	90.0°
N7	N25	N26	C5	0.1°	0.4°
N25	N7	C6	H6	179.8°	179.9°
N25	N7	C8	H8A	29.3°	65.0°
N25	N7	C8	H8B	148.8°	175.0°
N26	C5	C4	H4A	108.4°	64.7°
N26	C5	C4	H4B	10.3°	175.3°
N26	C5	C6	H6	179.9°	179.8°
C24	C9	C8	H8A	132.1°	30.1°
C24	C9	C8	H8B	12.6°	150.0°
C24	C9	C10	H10	179.8°	179.8°
C21	C14	C15	H15	178.9°	179.7°
C14	C21	C20	H20	179.4°	179.7°
H4A	C4	C3	H3B	50.3°	180.0°
H4A	C4	C3	H3A	67.8°	60.0°
H4B	C4	C3	H3B	169.0°	60.0°
H4B	C4	C3	H3A	50.9°	180.0°
H10	C10	C11	H11	0.5°	0.0°
H15	C15	C16	H16	0.4°	0.1°
H20	C20	C21	H21	0.6°	0.6°
H1B	C1	H1C	H1A	120.0°	120.0°
H1B	C1	C2	H2B	59.4°	60.0°
H1B	C1	C2	H2A	59.3°	60.0°
H1C	C1	C2	H2B	60.7°	60.0°
H1C	C1	C2	H2A	179.3°	180.0°
H1A	C1	C2	H2B	179.3°	180.0°
H1A	C1	C2	H2A	60.7°	60.0°
H2B	C2	C3	H3B	158.8°	60.0°
H2B	C2	C3	H3A	83.1°	180.0°
H2A	C2	C3	H3B	40.1°	180.0°
H2A	C2	C3	H3A	158.2°	60.0°

Release date:	2026-07-15
Definition date:	2026-02-12
Last modified:	2026-07-10
Release status:	REL
Processing site:	PDBE
Derived from:	28LL