I9Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.48Å
C1	N3	sing	1.34Å	1.39Å	Aromatic
C1	C6	doub	1.34Å	1.42Å	Aromatic
C2	C25	sing	1.53Å	1.54Å
N3	C4	doub	1.31Å	1.33Å	Aromatic
C4	O5	sing	1.34Å	1.42Å	Aromatic
C4	C7	sing	1.48Å	1.43Å
O5	C6	sing	1.35Å	1.40Å	Aromatic
C6	C8	sing	1.51Å	1.49Å
C7	C9	doub	1.40Å	1.40Å	Aromatic
C7	C13	sing	1.40Å	1.40Å	Aromatic
C9	C10	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C12	C13	doub	1.38Å	1.40Å	Aromatic
C14	C15	doub	1.39Å	1.41Å	Aromatic
C14	C19	sing	1.39Å	1.40Å	Aromatic
C14	C20	sing	1.48Å	1.45Å
C15	C16	sing	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.38Å	1.40Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	Aromatic
C18	C19	doub	1.38Å	1.40Å	Aromatic
C20	C21	doub	1.36Å	1.42Å	Aromatic
C20	N24	sing	1.35Å	1.39Å	Aromatic
C21	N22	sing	1.37Å	1.41Å	Aromatic
N22	C23	sing	1.35Å	1.41Å	Aromatic
N22	C26	sing	1.47Å	1.44Å
C23	N24	doub	1.30Å	1.35Å	Aromatic
C23	C25	sing	1.51Å	1.49Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C16	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C18	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
C25	H10	sing	1.09Å	1.10Å
C25	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C26	H13	sing	1.09Å	1.10Å
C26	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
C8	H18	sing	1.09Å	1.10Å
C8	H19	sing	1.09Å	1.10Å
C9	H20	sing	1.08Å	1.08Å
C12	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	N3	120.4°	126.1°
C2	C1	C6	129.1°	126.1°
C1	C2	C25	108.0°	109.5°
C1	C2	H15	109.8°	109.5°
C1	C2	H16	109.8°	109.5°
N3	C1	C6	110.5°	107.9°
C1	N3	C4	104.0°	108.6°
C1	C6	O5	107.4°	107.3°
C1	C6	C8	136.0°	126.4°
C2	C25	C23	107.5°	109.5°
C2	C25	H10	110.0°	109.5°
C2	C25	H11	109.9°	109.5°
C25	C2	H15	109.8°	109.5°
C25	C2	H16	109.9°	109.5°
N3	C4	O5	115.1°	108.6°
N3	C4	C7	129.1°	125.7°
O5	C4	C7	115.8°	125.7°
C4	O5	C6	102.9°	107.6°
C4	C7	C9	117.6°	120.2°
C4	C7	C13	119.8°	120.1°
O5	C6	C8	116.6°	126.3°
C6	C8	H17	109.5°	109.5°
C6	C8	H18	109.5°	109.4°
C6	C8	H19	109.5°	109.5°
C9	C7	C13	122.6°	119.7°
C7	C9	C10	118.2°	119.8°
C7	C9	H20	120.9°	120.1°
C7	C13	C12	118.2°	119.8°
C7	C13	H3	120.9°	120.1°
C9	C10	C11	120.7°	120.1°
C9	C10	H1	119.7°	119.9°
C10	C9	H20	120.9°	120.1°
C10	C11	C12	120.0°	120.3°
C11	C10	H1	119.6°	120.0°
C10	C11	H2	120.0°	119.8°
C11	C12	C13	120.4°	120.2°
C12	C11	H2	120.0°	119.9°
C11	C12	H21	119.8°	119.9°
C12	C13	H3	120.9°	120.1°
C13	C12	H21	119.8°	119.9°
C15	C14	C19	119.6°	119.8°
C15	C14	C20	119.6°	120.1°
C14	C15	C16	120.1°	119.9°
C14	C15	H4	119.9°	120.1°
C19	C14	C20	120.8°	120.1°
C14	C19	C18	119.7°	119.8°
C14	C19	H8	120.2°	120.1°
C14	C20	C21	130.2°	126.1°
C14	C20	N24	120.3°	126.1°
C15	C16	C17	120.5°	120.1°
C16	C15	H4	119.9°	120.1°
C15	C16	H5	119.7°	120.0°
C16	C17	C18	118.9°	120.2°
C17	C16	H5	119.7°	119.9°
C16	C17	H6	120.6°	119.9°
C17	C18	C19	121.2°	120.1°
C18	C17	H6	120.6°	119.9°
C17	C18	H7	119.4°	119.9°
C19	C18	H7	119.4°	119.9°
C18	C19	H8	120.2°	120.1°
C21	C20	N24	109.5°	107.8°
C20	C21	N22	106.1°	106.6°
C20	C21	H9	126.9°	126.7°
C20	N24	C23	106.4°	109.2°
C21	N22	C23	106.4°	107.5°
C21	N22	C26	128.8°	126.3°
N22	C21	H9	127.0°	126.7°
C23	N22	C26	124.8°	126.3°
N22	C23	N24	111.5°	109.0°
N22	C23	C25	124.4°	125.5°
N22	C26	H12	109.5°	109.5°
N22	C26	H13	109.5°	109.5°
N22	C26	H14	109.4°	109.5°
N24	C23	C25	124.2°	125.5°
C23	C25	H10	110.0°	109.5°
C23	C25	H11	110.0°	109.5°
H10	C25	H11	109.5°	109.5°
H12	C26	H13	109.5°	109.4°
H12	C26	H14	109.5°	109.4°
H13	C26	H14	109.5°	109.5°
H15	C2	H16	109.5°	109.5°
H17	C8	H18	109.5°	109.5°
H17	C8	H19	109.4°	109.5°
H18	C8	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	N3	C6	178.9°	179.8°
C1	C2	C25	H15	119.8°	120.0°
C1	C2	C25	H16	119.8°	120.0°
C2	C1	N3	C4	179.3°	180.0°
C2	C1	C6	O5	178.9°	179.9°
C2	C1	C6	C8	2.0°	0.1°
C1	C2	C25	C23	161.1°	180.0°
C1	C2	C25	H10	41.4°	60.0°
C1	C2	C25	H11	79.2°	60.0°
C1	C2	H15	H16	120.7°	120.0°
N3	C1	C2	C25	92.8°	90.0°
C1	N3	C4	O5	0.5°	0.0°
C1	N3	C4	C7	179.2°	180.0°
N3	C1	C6	O5	0.0°	0.4°
N3	C1	C6	C8	179.1°	179.7°
N3	C1	C2	H15	27.0°	30.0°
N3	C1	C2	H16	147.5°	150.0°
C6	C1	C2	C25	86.0°	90.3°
C6	C1	N3	C4	0.3°	0.2°
C1	C6	O5	C4	0.2°	0.4°
C1	C6	O5	C8	179.3°	179.9°
C6	C1	C2	H15	154.2°	149.7°
C6	C1	C2	H16	33.8°	29.8°
C1	C6	C8	H17	179.0°	90.0°
C1	C6	C8	H18	60.9°	150.0°
C1	C6	C8	H19	59.1°	30.0°
C2	C25	C23	N22	119.5°	90.0°
C2	C25	C23	N24	59.9°	90.0°
C2	C25	C23	H10	119.7°	120.0°
C2	C25	C23	H11	119.7°	120.0°
C2	C25	H10	H11	120.9°	120.0°
C25	C2	H15	H16	120.7°	120.0°
N3	C4	O5	C7	178.8°	180.0°
N3	C4	O5	C6	0.5°	0.2°
N3	C4	C7	C9	11.0°	180.0°
N3	C4	C7	C13	170.2°	0.5°
C4	O5	C6	C8	179.1°	179.7°
O5	C4	C7	C9	167.7°	0.0°
O5	C4	C7	C13	11.1°	179.4°
C7	C4	O5	C6	179.3°	179.8°
C4	C7	C9	C13	178.8°	179.4°
C4	C7	C9	C10	179.6°	180.0°
C4	C7	C13	C12	179.1°	179.7°
C4	C7	C13	H3	0.9°	0.6°
C4	C7	C9	H20	0.5°	0.0°
O5	C6	C8	H17	0.0°	89.9°
O5	C6	C8	H18	120.0°	30.1°
O5	C6	C8	H19	120.0°	150.1°
C6	C8	H17	H18	120.0°	119.9°
C6	C8	H17	H19	120.0°	120.0°
C6	C8	H18	H19	120.0°	120.0°
C7	C9	C10	H20	180.0°	180.0°
C7	C9	C10	C11	1.1°	0.0°
C9	C7	C13	C12	0.4°	0.9°
C7	C9	C10	H1	178.9°	179.7°
C9	C7	C13	H3	179.6°	180.0°
C13	C7	C9	C10	0.8°	0.6°
C7	C13	C12	C11	0.3°	0.5°
C7	C13	C12	H3	180.0°	179.1°
C13	C7	C9	H20	179.2°	179.5°
C7	C13	C12	H21	179.7°	179.4°
C9	C10	C11	H1	180.0°	179.6°
C9	C10	C11	C12	1.1°	0.4°
C9	C10	C11	H2	178.9°	179.8°
C10	C11	C12	H2	180.0°	179.8°
C10	C11	C12	C13	0.7°	0.1°
C11	C10	C9	H20	178.9°	179.9°
C10	C11	C12	H21	179.3°	180.0°
C11	C12	C13	H21	180.0°	179.9°
C12	C11	C10	H1	178.9°	180.0°
C11	C12	C13	H3	179.7°	179.6°
C13	C12	C11	H2	179.3°	179.9°
C15	C14	C19	C20	179.0°	179.4°
C14	C15	C16	H4	180.0°	179.7°
C14	C15	C16	C17	0.5°	0.3°
C15	C14	C19	C18	0.6°	0.5°
C15	C14	C20	C21	174.2°	180.0°
C15	C14	C20	N24	3.6°	0.3°
C14	C15	C16	H5	179.5°	179.8°
C15	C14	C19	H8	179.5°	179.7°
C19	C14	C15	C16	1.1°	0.6°
C14	C19	C18	C17	0.6°	0.3°
C14	C19	C18	H8	180.0°	179.7°
C19	C14	C20	C21	6.9°	0.5°
C19	C14	C20	N24	175.3°	179.1°
C19	C14	C15	H4	178.8°	179.7°
C14	C19	C18	H7	179.4°	179.7°
C20	C14	C15	C16	179.9°	180.0°
C20	C14	C19	C18	179.5°	180.0°
C14	C20	C21	N24	178.0°	179.7°
C14	C20	C21	N22	174.8°	179.8°
C14	C20	N24	C23	175.1°	179.8°
C20	C14	C15	H4	0.1°	0.3°
C20	C14	C19	H8	0.5°	0.3°
C14	C20	C21	H9	5.2°	0.3°
C15	C16	C17	H5	180.0°	179.9°
C15	C16	C17	C18	0.7°	0.0°
C15	C16	C17	H6	179.3°	180.0°
C16	C17	C18	H6	180.0°	180.0°
C16	C17	C18	C19	1.3°	0.0°
C17	C16	C15	H4	179.5°	180.0°
C16	C17	C18	H7	178.7°	179.9°
C17	C18	C19	H7	180.0°	180.0°
C18	C17	C16	H5	179.3°	180.0°
C17	C18	C19	H8	179.3°	180.0°
C19	C18	C17	H6	178.8°	180.0°
C20	C21	N22	H9	180.0°	179.9°
C20	C21	N22	C23	2.0°	0.0°
C20	C21	N22	C26	179.4°	180.0°
C21	C20	N24	C23	3.1°	0.0°
N24	C20	C21	N22	3.2°	0.1°
C20	N24	C23	N22	1.9°	0.0°
C20	N24	C23	C25	177.6°	180.0°
N24	C20	C21	H9	176.8°	180.0°
C21	N22	C23	C26	178.7°	179.9°
C21	N22	C23	N24	0.1°	0.0°
C21	N22	C23	C25	179.6°	179.9°
C21	N22	C26	H12	180.0°	90.0°
C21	N22	C26	H13	60.0°	150.0°
C21	N22	C26	H14	60.0°	29.9°
N22	C23	N24	C25	179.5°	180.0°
C23	N22	C21	H9	178.0°	180.0°
N22	C23	C25	H10	0.2°	30.0°
N22	C23	C25	H11	120.8°	150.0°
C23	N22	C26	H12	1.6°	90.0°
C23	N22	C26	H13	118.4°	29.9°
C23	N22	C26	H14	121.6°	150.0°
C26	N22	C23	N24	178.8°	179.9°
C26	N22	C23	C25	1.7°	0.0°
C26	N22	C21	H9	0.7°	0.1°
N22	C26	H12	H13	120.0°	120.0°
N22	C26	H12	H14	120.0°	120.0°
N22	C26	H13	H14	120.0°	120.1°
N24	C23	C25	H10	179.6°	150.0°
N24	C23	C25	H11	59.8°	30.1°
C23	C25	H10	H11	120.9°	120.0°
C23	C25	C2	H15	79.2°	60.0°
C23	C25	C2	H16	41.3°	60.0°
H1	C10	C11	H2	1.1°	0.2°
H1	C10	C9	H20	1.1°	0.3°
H2	C11	C12	H21	0.7°	0.2°
H3	C13	C12	H21	0.3°	0.3°
H4	C15	C16	H5	0.5°	0.0°
H5	C16	C17	H6	0.7°	0.1°
H6	C17	C18	H7	1.2°	0.0°
H7	C18	C19	H8	0.7°	0.1°
H10	C25	C2	H15	161.1°	180.0°
H10	C25	C2	H16	78.4°	60.0°
H11	C25	C2	H15	40.5°	60.0°
H11	C25	C2	H16	161.0°	NaN°
H12	C26	H13	H14	120.0°	120.0°
H17	C8	H18	H19	119.9°	120.1°

Release date:	2022-10-12
Definition date:	2022-01-25
Last modified:	2022-10-07
Release status:	REL
Processing site:	RCSB
Derived from:	5SDU