IAZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	doub	1.35Å	1.37Å	Aromatic
C17	C18	sing	1.41Å	1.41Å	Aromatic
C16	O2	sing	1.34Å	1.37Å	Aromatic
C18	C15	doub	1.35Å	1.34Å	Aromatic
O2	C15	sing	1.34Å	1.36Å	Aromatic
C15	C14	sing	1.51Å	1.48Å
C14	N3	sing	1.46Å	1.45Å
N3	C7	sing	1.38Å	1.35Å
C7	N1	sing	1.37Å	1.32Å	Aromatic
C7	N2	doub	1.31Å	1.35Å	Aromatic
N1	C5	sing	1.39Å	1.39Å	Aromatic
N2	C6	sing	1.36Å	1.38Å	Aromatic
C5	C6	doub	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
C6	C1	sing	1.40Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.38Å	Aromatic
C1	C2	doub	1.38Å	1.37Å	Aromatic
C3	C2	sing	1.39Å	1.40Å	Aromatic
C3	O1	sing	1.36Å	1.39Å
O1	C8	sing	1.36Å	1.39Å
C8	C9	doub	1.39Å	1.38Å	Aromatic
C8	C13	sing	1.39Å	1.38Å	Aromatic
C9	C10	sing	1.38Å	1.38Å	Aromatic
C13	C12	doub	1.38Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.37Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
N3	H2	sing	0.97Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C17	H6	sing	1.08Å	1.08Å
C1	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.08Å	1.08Å
C18	H13	sing	1.08Å	1.08Å
C2	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C18	106.1°	106.8°
C17	C16	O2	109.4°	108.4°
C16	C17	H6	126.9°	126.6°
C17	C16	H12	125.3°	125.8°
C17	C18	C15	107.2°	106.8°
C18	C17	H6	126.9°	126.6°
C17	C18	H13	126.4°	126.6°
C16	O2	C15	106.8°	109.5°
O2	C16	H12	125.3°	125.8°
C18	C15	O2	110.5°	108.4°
C18	C15	C14	133.1°	125.7°
C15	C18	H13	126.4°	126.6°
O2	C15	C14	116.3°	125.9°
C15	C14	N3	111.9°	109.5°
C15	C14	H10	108.9°	109.5°
C15	C14	H11	108.8°	109.4°
C14	N3	C7	120.0°	120.0°
C14	N3	H2	106.8°	120.0°
N3	C14	H10	108.8°	109.5°
N3	C14	H11	108.9°	109.5°
N3	C7	N1	122.6°	125.1°
N3	C7	N2	123.1°	125.0°
C7	N3	H2	106.8°	120.0°
N1	C7	N2	114.3°	109.9°
C7	N1	C5	103.9°	107.2°
C7	N1	H1	128.1°	126.4°
C7	N2	C6	106.1°	109.6°
N1	C5	C6	110.2°	106.2°
N1	C5	C4	129.5°	133.8°
C5	N1	H1	128.1°	126.4°
N2	C6	C5	105.5°	107.1°
N2	C6	C1	132.6°	133.3°
C6	C5	C4	120.3°	120.0°
C5	C6	C1	121.9°	119.6°
C5	C4	C3	117.7°	119.8°
C5	C4	H3	121.2°	120.1°
C6	C1	C2	117.1°	119.8°
C6	C1	H7	121.4°	120.1°
C4	C3	C2	121.3°	120.3°
C4	C3	O1	117.8°	119.9°
C3	C4	H3	121.2°	120.1°
C1	C2	C3	121.7°	120.5°
C2	C1	H7	121.5°	120.1°
C1	C2	H14	119.1°	119.8°
C2	C3	O1	120.9°	119.8°
C3	C2	H14	119.1°	119.8°
C3	O1	C8	126.0°	118.0°
O1	C8	C9	123.7°	120.1°
O1	C8	C13	115.4°	120.0°
C9	C8	C13	120.9°	119.9°
C8	C9	C10	119.0°	120.0°
C8	C9	H15	120.5°	120.0°
C8	C13	C12	119.3°	119.9°
C8	C13	H5	120.3°	120.0°
C9	C10	C11	120.6°	120.0°
C9	C10	H4	119.7°	120.0°
C10	C9	H15	120.5°	120.0°
C13	C12	C11	120.3°	120.1°
C12	C13	H5	120.3°	120.1°
C13	C12	H9	119.8°	120.0°
C10	C11	C12	119.9°	120.2°
C11	C10	H4	119.7°	120.0°
C10	C11	H8	120.1°	119.9°
C12	C11	H8	120.0°	119.9°
C11	C12	H9	119.9°	120.0°
H10	C14	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C18	H6	180.0°	179.9°
C17	C16	O2	H12	180.0°	179.9°
C16	C17	C18	C15	0.3°	0.2°
C17	C16	O2	C15	0.0°	0.1°
C16	C17	C18	H13	179.7°	179.8°
C18	C17	C16	O2	0.2°	0.0°
C17	C18	C15	H13	180.0°	180.0°
C17	C18	C15	O2	0.3°	0.2°
C17	C18	C15	C14	179.7°	180.0°
C18	C17	C16	H12	179.8°	179.9°
C16	O2	C15	C18	0.2°	0.2°
C16	O2	C15	C14	179.7°	179.9°
O2	C16	C17	H6	179.8°	180.0°
C18	C15	O2	C14	179.5°	179.7°
C18	C15	C14	N3	86.8°	90.0°
C15	C18	C17	H6	179.7°	179.9°
C18	C15	C14	H10	33.5°	30.1°
C18	C15	C14	H11	152.8°	150.0°
O2	C15	C14	N3	93.9°	90.3°
O2	C15	C14	H10	145.8°	149.6°
O2	C15	C14	H11	26.5°	29.7°
C15	O2	C16	H12	180.0°	179.8°
O2	C15	C18	H13	179.6°	179.7°
C15	C14	N3	H10	120.4°	120.1°
C15	C14	N3	H11	120.4°	119.9°
C15	C14	N3	C7	171.5°	180.0°
C15	C14	N3	H2	67.0°	0.1°
C15	C14	H10	H11	118.9°	119.9°
C14	C15	C18	H13	0.3°	0.0°
C14	N3	C7	H2	121.5°	179.9°
C14	N3	C7	N1	32.9°	0.1°
C14	N3	C7	N2	147.0°	179.5°
N3	C14	H10	H11	118.9°	120.0°
N3	C7	N1	N2	180.0°	179.5°
N3	C7	N1	C5	180.0°	180.0°
N3	C7	N2	C6	180.0°	180.0°
N3	C7	N1	H1	0.0°	0.2°
C7	N3	C14	H10	51.1°	59.9°
C7	N3	C14	H11	68.2°	60.1°
C7	N1	C5	H1	180.0°	179.8°
N1	C7	N2	C6	0.0°	0.4°
C7	N1	C5	C6	0.0°	0.3°
C7	N1	C5	C4	179.9°	179.8°
N1	C7	N3	H2	154.4°	180.0°
N2	C7	N1	C5	0.0°	0.4°
C7	N2	C6	C5	0.1°	0.3°
C7	N2	C6	C1	179.9°	179.8°
N2	C7	N1	H1	180.0°	179.8°
N2	C7	N3	H2	25.5°	0.5°
N1	C5	C6	N2	0.0°	0.0°
N1	C5	C6	C4	179.9°	179.9°
N1	C5	C6	C1	179.9°	180.0°
N1	C5	C4	C3	179.9°	180.0°
N1	C5	C4	H3	0.1°	0.1°
N2	C6	C5	C1	180.0°	180.0°
N2	C6	C5	C4	179.9°	179.9°
N2	C6	C1	C2	179.8°	180.0°
N2	C6	C1	H7	0.2°	0.1°
C6	C5	C4	C3	0.3°	0.1°
C5	C6	C1	C2	0.2°	0.0°
C6	C5	N1	H1	180.0°	180.0°
C6	C5	C4	H3	179.7°	180.0°
C5	C6	C1	H7	179.7°	180.0°
C4	C5	C6	C1	0.1°	0.0°
C5	C4	C3	H3	180.0°	179.9°
C5	C4	C3	C2	0.5°	0.1°
C5	C4	C3	O1	179.9°	180.0°
C4	C5	N1	H1	0.1°	0.0°
C6	C1	C2	H7	180.0°	180.0°
C6	C1	C2	C3	0.4°	0.0°
C6	C1	C2	H14	179.5°	180.0°
C4	C3	C2	C1	0.6°	0.1°
C4	C3	C2	O1	179.4°	179.9°
C4	C3	O1	C8	134.1°	90.0°
C4	C3	C2	H14	179.4°	180.0°
C1	C2	C3	H14	180.0°	179.9°
C1	C2	C3	O1	180.0°	180.0°
C2	C3	O1	C8	46.4°	90.1°
C2	C3	C4	H3	179.5°	180.0°
C3	C2	C1	H7	179.5°	179.9°
C3	O1	C8	C9	22.0°	0.6°
C3	O1	C8	C13	158.2°	179.2°
O1	C3	C4	H3	0.1°	0.1°
O1	C3	C2	H14	0.0°	0.1°
O1	C8	C9	C13	179.8°	179.8°
O1	C8	C9	C10	179.8°	179.7°
O1	C8	C13	C12	179.7°	179.8°
O1	C8	C13	H5	0.2°	0.3°
O1	C8	C9	H15	0.2°	0.2°
C8	C9	C10	H15	180.0°	179.9°
C9	C8	C13	C12	0.1°	0.0°
C8	C9	C10	C11	0.1°	0.1°
C8	C9	C10	H4	179.9°	179.9°
C9	C8	C13	H5	180.0°	179.9°
C13	C8	C9	C10	0.0°	0.1°
C8	C13	C12	H5	180.0°	179.9°
C8	C13	C12	C11	0.1°	0.0°
C8	C13	C12	H9	179.9°	180.0°
C13	C8	C9	H15	180.0°	180.0°
C9	C10	C11	H4	180.0°	180.0°
C9	C10	C11	C12	0.1°	0.0°
C9	C10	C11	H8	179.9°	180.0°
C13	C12	C11	C10	0.0°	0.0°
C13	C12	C11	H9	180.0°	179.9°
C13	C12	C11	H8	180.0°	180.0°
C10	C11	C12	H8	180.0°	180.0°
C10	C11	C12	H9	180.0°	180.0°
C11	C10	C9	H15	179.9°	180.0°
C12	C11	C10	H4	179.9°	180.0°
C11	C12	C13	H5	179.9°	180.0°
H2	N3	C14	H10	172.6°	120.0°
H2	N3	C14	H11	53.3°	120.0°
H4	C10	C11	H8	0.1°	0.0°
H4	C10	C9	H15	0.1°	0.1°
H5	C13	C12	H9	0.1°	0.1°
H6	C17	C16	H12	0.2°	0.2°
H6	C17	C18	H13	0.4°	0.1°
H7	C1	C2	H14	0.5°	0.0°
H8	C11	C12	H9	0.0°	0.1°

Release date:	2022-08-31
Definition date:	2022-03-04
Last modified:	2022-08-26
Release status:	REL
Processing site:	PDBE
Derived from:	7Z2N