A1JLI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	N12	sing	1.47Å	0.00Å
C11	C10	sing	1.51Å	0.00Å
C13	N12	sing	1.47Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C17	C14	sing	1.54Å	0.00Å
C17	C16	sing	1.54Å	0.00Å
C28	C27	doub	1.39Å	0.00Å	Aromatic
C28	C29	sing	1.39Å	0.00Å	Aromatic
C9	C10	doub	1.34Å	0.00Å	Aromatic
C9	C8	sing	1.46Å	0.00Å	Aromatic
C10	N18	sing	1.37Å	0.00Å	Aromatic
C27	C26	sing	1.38Å	0.00Å	Aromatic
C29	C30	doub	1.40Å	0.00Å	Aromatic
C14	C15	sing	1.54Å	0.00Å
C16	C15	sing	1.54Å	0.00Å
C8	C7	doub	1.39Å	0.00Å	Aromatic
C8	C19	sing	1.41Å	0.00Å	Aromatic
N18	C19	sing	1.38Å	0.00Å	Aromatic
C7	C6	sing	1.37Å	0.00Å	Aromatic
C26	N25	doub	1.33Å	0.00Å	Aromatic
C30	N25	sing	1.34Å	0.00Å	Aromatic
C30	N31	sing	1.36Å	0.00Å
C19	C20	doub	1.39Å	0.00Å	Aromatic
N25	C23	sing	1.37Å	0.00Å
N31	C21	doub	1.30Å	0.00Å
C6	C5	doub	1.39Å	0.00Å	Aromatic
C20	C5	sing	1.38Å	0.00Å	Aromatic
C5	C4	sing	1.51Å	0.00Å
C23	O24	doub	1.21Å	0.00Å
C23	C22	sing	1.51Å	0.00Å
C21	C22	sing	1.51Å	0.00Å
C21	C2	sing	1.48Å	0.00Å
N3	C4	sing	1.47Å	0.00Å
N3	C2	sing	1.35Å	0.00Å
C2	O1	doub	1.22Å	0.00Å
N3	H3	sing	0.97Å	0.00Å
C4	H4B	sing	1.09Å	0.00Å
C4	H4A	sing	1.09Å	0.00Å
C6	H6	sing	1.08Å	0.00Å
C7	H7	sing	1.08Å	0.00Å
C9	H9	sing	1.08Å	0.00Å
C11	H11B	sing	1.09Å	0.00Å
C11	H11A	sing	1.09Å	0.00Å
N12	H12A	sing	1.01Å	0.00Å
C13	H13A	sing	1.09Å	0.00Å
C13	H13B	sing	1.09Å	0.00Å
C14	H14	sing	1.09Å	0.00Å
C15	H15A	sing	1.09Å	0.00Å
C15	H15B	sing	1.09Å	0.00Å
C16	H16B	sing	1.09Å	0.00Å
C16	H16A	sing	1.09Å	0.00Å
C17	H17B	sing	1.09Å	0.00Å
C17	H17A	sing	1.09Å	0.00Å
N18	H18	sing	0.97Å	0.00Å
C20	H20	sing	1.08Å	0.00Å
C22	H22	sing	1.09Å	0.00Å
C22	H1	sing	1.09Å	0.00Å
C26	H26	sing	1.08Å	0.00Å
C27	H27	sing	1.08Å	0.00Å
C28	H28	sing	1.08Å	0.00Å
C29	H29	sing	1.08Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	C11	C10	90.0°	109.5°
C11	N12	C13	90.0°	111.0°
N12	C11	H11B	90.0°	109.4°
N12	C11	H11A	90.0°	109.5°
C11	N12	H12A	90.0°	111.0°
C11	C10	C9	90.0°	125.0°
C11	C10	N18	90.0°	125.0°
C10	C11	H11B	90.0°	109.5°
C10	C11	H11A	90.0°	109.5°
N12	C13	C14	90.0°	109.5°
C13	N12	H12A	90.0°	111.1°
N12	C13	H13A	90.0°	109.5°
N12	C13	H13B	90.0°	109.5°
C13	C14	C17	90.0°	113.6°
C13	C14	C15	90.0°	113.6°
C14	C13	H13A	90.0°	109.4°
C14	C13	H13B	90.0°	109.4°
C13	C14	H14	90.0°	112.8°
C14	C17	C16	90.0°	87.1°
C17	C14	C15	90.0°	87.1°
C17	C14	H14	90.0°	113.7°
C14	C17	H17B	90.0°	113.6°
C14	C17	H17A	90.0°	113.5°
C17	C16	C15	90.0°	87.1°
C17	C16	H16B	90.0°	113.6°
C17	C16	H16A	90.0°	113.7°
C16	C17	H17B	90.0°	113.7°
C16	C17	H17A	90.0°	113.6°
C27	C28	C29	90.0°	118.8°
C28	C27	C26	90.0°	119.4°
C28	C27	H27	90.0°	120.3°
C27	C28	H28	90.0°	120.6°
C28	C29	C30	90.0°	119.4°
C29	C28	H28	90.0°	120.6°
C28	C29	H29	90.0°	120.3°
C10	C9	C8	90.0°	107.0°
C9	C10	N18	90.0°	110.0°
C10	C9	H9	90.0°	126.5°
C9	C8	C7	90.0°	134.1°
C9	C8	C19	90.0°	106.0°
C8	C9	H9	90.0°	126.5°
C10	N18	C19	90.0°	109.8°
C10	N18	H18	90.0°	125.1°
C27	C26	N25	90.0°	121.0°
C27	C26	H26	90.0°	119.5°
C26	C27	H27	90.0°	120.3°
C29	C30	N25	90.0°	119.9°
C29	C30	N31	90.0°	119.3°
C30	C29	H29	90.0°	120.3°
C14	C15	C16	90.0°	87.1°
C15	C14	H14	90.0°	113.6°
C14	C15	H15A	90.0°	113.6°
C14	C15	H15B	90.0°	113.6°
C16	C15	H15A	90.0°	113.6°
C16	C15	H15B	90.0°	113.7°
C15	C16	H16B	90.0°	113.6°
C15	C16	H16A	90.0°	113.6°
C7	C8	C19	90.0°	119.9°
C8	C7	C6	90.0°	119.8°
C8	C7	H7	90.0°	120.1°
C8	C19	N18	90.0°	107.2°
C8	C19	C20	90.0°	119.3°
N18	C19	C20	90.0°	133.5°
C19	N18	H18	90.0°	125.0°
C7	C6	C5	90.0°	120.5°
C7	C6	H6	90.0°	119.7°
C6	C7	H7	90.0°	120.1°
C26	N25	C30	90.0°	121.5°
C26	N25	C23	90.0°	119.6°
N25	C26	H26	90.0°	119.5°
N25	C30	N31	90.0°	120.8°
C30	N25	C23	90.0°	118.9°
C30	N31	C21	90.0°	122.4°
C19	C20	C5	90.0°	119.8°
C19	C20	H20	90.0°	120.2°
N25	C23	O24	90.0°	121.4°
N25	C23	C22	90.0°	117.3°
N31	C21	C22	90.0°	120.1°
N31	C21	C2	90.0°	120.0°
C6	C5	C20	90.0°	120.7°
C6	C5	C4	90.0°	119.6°
C5	C6	H6	90.0°	119.8°
C20	C5	C4	90.0°	119.7°
C5	C20	H20	90.0°	120.1°
C5	C4	N3	90.0°	109.5°
C5	C4	H4B	90.0°	109.5°
C5	C4	H4A	90.0°	109.5°
O24	C23	C22	90.0°	121.4°
C23	C22	C21	90.0°	107.8°
C23	C22	H22	90.0°	109.8°
C23	C22	H1	90.0°	109.8°
C22	C21	C2	90.0°	120.0°
C21	C22	H22	90.0°	109.8°
C21	C22	H1	90.0°	109.8°
C21	C2	N3	90.0°	120.0°
C21	C2	O1	90.0°	120.0°
C4	N3	C2	90.0°	120.0°
C4	N3	H3	90.0°	120.0°
N3	C4	H4B	90.0°	109.5°
N3	C4	H4A	90.0°	109.5°
N3	C2	O1	90.0°	120.0°
C2	N3	H3	90.0°	120.0°
H4B	C4	H4A	90.0°	109.5°
H11B	C11	H11A	90.0°	109.5°
H13A	C13	H13B	90.0°	109.5°
H15A	C15	H15B	90.0°	112.8°
H16B	C16	H16A	90.0°	112.8°
H17B	C17	H17A	90.0°	112.9°
H22	C22	H1	90.0°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C11	C10	H11B	90.0°	120.0°
N12	C11	C10	H11A	90.0°	120.0°
C11	N12	C13	H12A	90.0°	123.9°
C11	N12	C13	C14	90.0°	180.0°
N12	C11	C10	C9	90.0°	95.0°
N12	C11	C10	N18	90.0°	85.0°
N12	C11	H11B	H11A	90.0°	120.0°
C11	N12	C13	H13A	90.0°	60.0°
C11	N12	C13	H13B	90.0°	60.0°
C10	C11	N12	C13	90.0°	180.0°
C11	C10	C9	N18	90.0°	180.0°
C11	C10	C9	C8	90.0°	179.9°
C11	C10	N18	C19	90.0°	180.0°
C11	C10	C9	H9	90.0°	0.0°
C10	C11	H11B	H11A	90.0°	120.0°
C10	C11	N12	H12A	90.0°	56.1°
C11	C10	N18	H18	90.0°	0.1°
N12	C13	C14	H13A	90.0°	120.0°
N12	C13	C14	H13B	90.0°	120.0°
N12	C13	C14	C17	90.0°	87.5°
N12	C13	C14	C15	90.0°	175.0°
C13	N12	C11	H11B	90.0°	60.0°
C13	N12	C11	H11A	90.0°	60.0°
N12	C13	H13A	H13B	90.0°	120.1°
N12	C13	C14	H14	90.0°	43.8°
C13	C14	C17	C15	90.0°	114.6°
C13	C14	C17	H14	90.0°	130.9°
C13	C14	C17	C16	90.0°	140.0°
C13	C14	C15	H14	90.0°	130.8°
C13	C14	C15	C16	90.0°	140.0°
C14	C13	N12	H12A	90.0°	56.1°
C14	C13	H13A	H13B	90.0°	120.0°
C13	C14	C15	H15A	90.0°	25.5°
C13	C14	C15	H15B	90.0°	105.4°
C13	C14	C17	H17B	90.0°	105.4°
C13	C14	C17	H17A	90.0°	25.4°
C14	C17	C16	H17B	90.0°	114.6°
C14	C17	C16	H17A	90.0°	114.5°
C17	C14	C15	H14	90.0°	114.6°
C14	C17	C16	C15	90.0°	25.4°
C17	C14	C13	H13A	90.0°	32.5°
C17	C14	C13	H13B	90.0°	152.5°
C17	C14	C15	H15A	90.0°	89.1°
C17	C14	C15	H15B	90.0°	140.0°
C14	C17	C16	H16B	90.0°	140.0°
C14	C17	C16	H16A	90.0°	89.2°
C14	C17	H17B	H17A	90.0°	131.2°
C17	C16	C15	H16B	90.0°	114.5°
C17	C16	C15	H16A	90.0°	114.6°
C16	C17	C14	H14	90.0°	89.1°
C17	C16	C15	H15A	90.0°	89.2°
C17	C16	C15	H15B	90.0°	140.0°
C17	C16	H16B	H16A	90.0°	131.3°
C16	C17	H17B	H17A	90.0°	131.3°
C27	C28	C29	H28	90.0°	179.9°
C28	C27	C26	H27	90.0°	180.0°
C27	C28	C29	C30	90.0°	0.0°
C28	C27	C26	N25	90.0°	0.1°
C28	C27	C26	H26	90.0°	180.0°
C27	C28	C29	H29	90.0°	180.0°
C29	C28	C27	C26	90.0°	0.2°
C28	C29	C30	H29	90.0°	180.0°
C28	C29	C30	N25	90.0°	0.3°
C28	C29	C30	N31	90.0°	179.1°
C29	C28	C27	H27	90.0°	179.8°
C10	C9	C8	H9	90.0°	180.0°
C10	C9	C8	C7	90.0°	179.9°
C10	C9	C8	C19	90.0°	0.0°
C9	C10	N18	C19	90.0°	0.0°
C9	C10	C11	H11B	90.0°	145.1°
C9	C10	C11	H11A	90.0°	25.0°
C9	C10	N18	H18	90.0°	180.0°
C8	C9	C10	N18	90.0°	0.0°
C9	C8	C7	C19	90.0°	179.9°
C9	C8	C19	N18	90.0°	0.1°
C9	C8	C7	C6	90.0°	180.0°
C9	C8	C19	C20	90.0°	179.8°
C9	C8	C7	H7	90.0°	0.1°
C10	N18	C19	C8	90.0°	0.0°
C10	N18	C19	H18	90.0°	180.0°
C10	N18	C19	C20	90.0°	179.7°
N18	C10	C9	H9	90.0°	180.0°
N18	C10	C11	H11B	90.0°	35.0°
N18	C10	C11	H11A	90.0°	155.0°
C27	C26	N25	H26	90.0°	180.0°
C27	C26	N25	C30	90.0°	0.3°
C27	C26	N25	C23	90.0°	179.7°
C26	C27	C28	H28	90.0°	179.9°
C29	C30	N25	C26	90.0°	0.5°
C29	C30	N25	N31	90.0°	179.4°
C29	C30	N25	C23	90.0°	179.5°
C29	C30	N31	C21	90.0°	163.9°
C30	C29	C28	H28	90.0°	179.9°
C14	C15	C16	H15A	90.0°	114.6°
C14	C15	C16	H15B	90.0°	114.6°
C15	C14	C13	H13A	90.0°	65.0°
C15	C14	C13	H13B	90.0°	55.0°
C14	C15	H15A	H15B	90.0°	131.2°
C14	C15	C16	H16B	90.0°	140.0°
C14	C15	C16	H16A	90.0°	89.2°
C15	C14	C17	H17B	90.0°	140.0°
C15	C14	C17	H17A	90.0°	89.1°
C16	C15	C14	H14	90.0°	89.2°
C16	C15	H15A	H15B	90.0°	131.2°
C15	C16	H16B	H16A	90.0°	131.2°
C15	C16	C17	H17B	90.0°	140.0°
C15	C16	C17	H17A	90.0°	89.1°
C7	C8	C19	N18	90.0°	180.0°
C8	C7	C6	H7	90.0°	179.9°
C7	C8	C19	C20	90.0°	0.3°
C8	C7	C6	C5	90.0°	0.0°
C8	C7	C6	H6	90.0°	180.0°
C7	C8	C9	H9	90.0°	0.1°
C8	C19	N18	C20	90.0°	179.6°
C19	C8	C7	C6	90.0°	0.1°
C8	C19	C20	C5	90.0°	0.5°
C19	C8	C7	H7	90.0°	180.0°
C19	C8	C9	H9	90.0°	180.0°
C8	C19	N18	H18	90.0°	180.0°
C8	C19	C20	H20	90.0°	179.9°
N18	C19	C20	C5	90.0°	179.9°
N18	C19	C20	H20	90.0°	0.3°
C7	C6	C5	H6	90.0°	180.0°
C7	C6	C5	C20	90.0°	0.3°
C7	C6	C5	C4	90.0°	180.0°
C26	N25	C30	C23	90.0°	179.9°
C26	N25	C30	N31	90.0°	179.0°
C26	N25	C23	O24	90.0°	28.8°
C26	N25	C23	C22	90.0°	151.2°
N25	C26	C27	H27	90.0°	180.0°
N25	C30	N31	C21	90.0°	16.7°
C30	N25	C23	O24	90.0°	151.3°
C30	N25	C23	C22	90.0°	28.7°
C30	N25	C26	H26	90.0°	179.7°
N25	C30	C29	H29	90.0°	179.6°
N31	C30	N25	C23	90.0°	1.1°
C30	N31	C21	C22	90.0°	0.3°
C30	N31	C21	C2	90.0°	179.9°
N31	C30	C29	H29	90.0°	0.9°
C19	C20	C5	C6	90.0°	0.5°
C19	C20	C5	H20	90.0°	179.6°
C19	C20	C5	C4	90.0°	179.8°
C20	C19	N18	H18	90.0°	0.3°
N25	C23	O24	C22	90.0°	180.0°
N25	C23	C22	C21	90.0°	40.2°
N25	C23	C22	H22	90.0°	79.4°
N25	C23	C22	H1	90.0°	159.8°
C23	N25	C26	H26	90.0°	0.4°
N31	C21	C22	C23	90.0°	26.1°
N31	C21	C22	C2	90.0°	179.7°
N31	C21	C2	N3	90.0°	0.6°
N31	C21	C2	O1	90.0°	179.7°
N31	C21	C22	H22	90.0°	93.5°
N31	C21	C22	H1	90.0°	145.7°
C6	C5	C20	C4	90.0°	179.7°
C6	C5	C4	N3	90.0°	90.0°
C6	C5	C4	H4B	90.0°	30.0°
C6	C5	C4	H4A	90.0°	150.0°
C5	C6	C7	H7	90.0°	180.0°
C6	C5	C20	H20	90.0°	179.9°
C20	C5	C4	N3	90.0°	90.2°
C20	C5	C4	H4B	90.0°	149.8°
C20	C5	C4	H4A	90.0°	29.7°
C20	C5	C6	H6	90.0°	179.8°
C5	C4	N3	H4B	90.0°	120.0°
C5	C4	N3	H4A	90.0°	120.0°
C5	C4	N3	C2	90.0°	180.0°
C5	C4	N3	H3	90.0°	0.1°
C5	C4	H4B	H4A	90.0°	120.0°
C4	C5	C6	H6	90.0°	0.0°
C4	C5	C20	H20	90.0°	0.2°
O24	C23	C22	C21	90.0°	139.8°
O24	C23	C22	H22	90.0°	100.6°
O24	C23	C22	H1	90.0°	20.2°
C23	C22	C21	H22	90.0°	119.6°
C23	C22	C21	H1	90.0°	119.6°
C23	C22	C21	C2	90.0°	153.6°
C23	C22	H22	H1	90.0°	120.8°
C22	C21	C2	N3	90.0°	179.7°
C22	C21	C2	O1	90.0°	0.0°
C21	C22	H22	H1	90.0°	120.8°
C21	C2	N3	C4	90.0°	179.8°
C21	C2	N3	O1	90.0°	179.8°
C21	C2	N3	H3	90.0°	0.3°
C2	C21	C22	H22	90.0°	86.8°
C2	C21	C22	H1	90.0°	34.0°
C4	N3	C2	H3	90.0°	179.9°
C4	N3	C2	O1	90.0°	0.0°
N3	C4	H4B	H4A	90.0°	120.0°
C2	N3	C4	H4B	90.0°	60.0°
C2	N3	C4	H4A	90.0°	60.0°
O1	C2	N3	H3	90.0°	179.9°
H3	N3	C4	H4B	90.0°	120.0°
H3	N3	C4	H4A	90.0°	120.1°
H6	C6	C7	H7	90.0°	0.0°
H11B	C11	N12	H12A	90.0°	176.0°
H11A	C11	N12	H12A	90.0°	64.0°
H12A	N12	C13	H13A	90.0°	176.0°
H12A	N12	C13	H13B	90.0°	63.9°
H13A	C13	C14	H14	90.0°	163.8°
H13B	C13	C14	H14	90.0°	76.2°
H14	C14	C15	H15A	90.0°	156.2°
H14	C14	C15	H15B	90.0°	25.4°
H14	C14	C17	H17B	90.0°	25.5°
H14	C14	C17	H17A	90.0°	156.3°
H15A	C15	C16	H16B	90.0°	25.4°
H15A	C15	C16	H16A	90.0°	156.2°
H15B	C15	C16	H16B	90.0°	105.5°
H15B	C15	C16	H16A	90.0°	25.4°
H16B	C16	C17	H17B	90.0°	105.5°
H16B	C16	C17	H17A	90.0°	25.5°
H16A	C16	C17	H17B	90.0°	25.4°
H16A	C16	C17	H17A	90.0°	156.4°
H26	C26	C27	H27	90.0°	0.0°
H27	C27	C28	H28	90.0°	0.1°
H28	C28	C29	H29	90.0°	0.1°

Release date:	2026-06-24
Definition date:	2025-07-23
Last modified:	2026-06-19
Release status:	REL
Processing site:	PDBE