8BZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C22	sing	1.43Å	1.43Å
C22	C21	sing	1.53Å	1.52Å
C21	N4	sing	1.46Å	1.46Å
C20	N4	sing	1.46Å	1.46Å
N4	C19	sing	1.35Å	1.34Å
O2	C19	doub	1.22Å	1.21Å
C19	C13	sing	1.48Å	1.50Å
C1	C2	sing	1.51Å	1.51Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C3	C4	sing	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.42Å	1.37Å	Aromatic
C13	C14	doub	1.36Å	1.39Å	Aromatic
C2	C7	sing	1.38Å	1.42Å	Aromatic
C12	C11	doub	1.36Å	1.37Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
C14	N2	sing	1.36Å	1.34Å	Aromatic
C11	N1	sing	1.40Å	1.35Å
C11	C15	sing	1.42Å	1.50Å	Aromatic
N1	C8	sing	1.46Å	1.45Å
C7	C6	doub	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
C5	C6	sing	1.39Å	1.39Å	Aromatic
N2	C15	sing	1.37Å	1.35Å	Aromatic
N2	C17	sing	1.37Å	1.34Å	Aromatic
C15	N3	doub	1.32Å	1.36Å	Aromatic
C6	O1	sing	1.36Å	1.38Å
C8	C9	sing	1.53Å	1.53Å
C17	C16	doub	1.35Å	1.37Å	Aromatic
N3	C16	sing	1.33Å	1.34Å	Aromatic
C9	C10	sing	1.53Å	1.52Å
C16	C18	sing	1.51Å	1.50Å
O1	C10	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.09Å	1.10Å
C21	H15	sing	1.09Å	1.10Å
C21	H16	sing	1.09Å	1.10Å
C22	H17	sing	1.09Å	1.10Å
C22	H18	sing	1.09Å	1.10Å
C3	H19	sing	1.08Å	1.08Å
C4	H20	sing	1.08Å	1.08Å
C5	H21	sing	1.08Å	1.08Å
C8	H22	sing	1.09Å	1.10Å
C9	H23	sing	1.09Å	1.10Å
C9	H24	sing	1.09Å	1.10Å
N1	H25	sing	0.97Å	1.00Å
O3	H26	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C22	C21	110.3°	109.5°
O3	C22	H17	109.3°	109.6°
O3	C22	H18	109.3°	109.5°
C22	O3	H26	109.5°	114.0°
C22	C21	N4	108.8°	109.5°
C22	C21	H15	109.6°	109.5°
C22	C21	H16	109.6°	109.5°
C21	C22	H17	109.3°	109.5°
C21	C22	H18	109.2°	109.4°
C21	N4	C20	112.5°	120.0°
C21	N4	C19	126.1°	120.0°
N4	C21	H15	109.6°	109.5°
N4	C21	H16	109.6°	109.5°
C20	N4	C19	121.4°	120.0°
N4	C20	H12	109.5°	109.5°
N4	C20	H13	109.4°	109.4°
N4	C20	H14	109.4°	109.5°
N4	C19	O2	120.9°	120.0°
N4	C19	C13	124.5°	120.0°
O2	C19	C13	114.5°	120.0°
C19	C13	C12	121.0°	120.0°
C19	C13	C14	118.8°	119.9°
C1	C2	C3	113.6°	119.8°
C1	C2	C7	126.4°	119.9°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C3	C4	121.7°	120.0°
C3	C2	C7	120.1°	120.3°
C2	C3	H19	119.1°	120.0°
C3	C4	C5	118.6°	120.0°
C4	C3	H19	119.2°	120.0°
C3	C4	H20	120.7°	120.0°
C12	C13	C14	120.1°	120.1°
C13	C12	C11	119.4°	119.5°
C13	C12	H6	120.3°	120.3°
C13	C14	N2	122.4°	120.6°
C13	C14	H7	118.8°	119.7°
C2	C7	C6	117.4°	119.8°
C2	C7	C8	126.5°	118.7°
C12	C11	N1	115.4°	120.3°
C12	C11	C15	119.3°	119.4°
C11	C12	H6	120.3°	120.2°
C4	C5	C6	120.9°	120.2°
C5	C4	H20	120.7°	120.0°
C4	C5	H21	119.5°	119.9°
C14	N2	C15	121.0°	120.7°
C14	N2	C17	129.7°	132.4°
N2	C14	H7	118.8°	119.7°
N1	C11	C15	125.3°	120.3°
C11	N1	C8	120.3°	120.0°
C11	N1	H25	106.7°	120.0°
C11	C15	N2	117.8°	119.8°
C11	C15	N3	133.8°	132.1°
N1	C8	C7	116.2°	109.5°
N1	C8	C9	106.8°	109.5°
N1	C8	H22	107.8°	109.4°
C8	N1	H25	106.7°	120.0°
C6	C7	C8	116.2°	121.4°
C7	C6	C5	121.4°	119.7°
C7	C6	O1	122.1°	121.8°
C7	C8	C9	111.6°	109.7°
C7	C8	H22	107.1°	109.4°
C5	C6	O1	116.5°	118.5°
C6	C5	H21	119.5°	119.9°
C15	N2	C17	109.3°	106.9°
N2	C15	N3	108.4°	108.1°
N2	C17	C16	105.9°	107.1°
N2	C17	H8	127.1°	126.4°
C15	N3	C16	106.3°	109.2°
C6	O1	C10	123.3°	117.8°
C8	C9	C10	108.8°	108.3°
C9	C8	H22	106.9°	109.4°
C8	C9	H23	109.6°	109.7°
C8	C9	H24	109.6°	109.6°
C17	C16	N3	110.1°	108.7°
C17	C16	C18	115.5°	125.7°
C16	C17	H8	127.1°	126.5°
N3	C16	C18	134.4°	125.7°
C9	C10	O1	105.8°	108.5°
C9	C10	H4	110.4°	109.7°
C9	C10	H5	110.4°	109.7°
C10	C9	H23	109.6°	109.7°
C10	C9	H24	109.6°	109.7°
C16	C18	H9	109.5°	109.5°
C16	C18	H10	109.5°	109.5°
C16	C18	H11	109.4°	109.5°
O1	C10	H4	110.4°	109.6°
O1	C10	H5	110.4°	109.6°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.4°	109.5°
H2	C1	H3	109.5°	109.5°
H4	C10	H5	109.5°	109.7°
H9	C18	H10	109.5°	109.5°
H9	C18	H11	109.5°	109.4°
H10	C18	H11	109.4°	109.5°
H12	C20	H13	109.4°	109.5°
H12	C20	H14	109.5°	109.5°
H13	C20	H14	109.5°	109.5°
H15	C21	H16	109.5°	109.4°
H17	C22	H18	109.4°	109.5°
H23	C9	H24	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C22	C21	H17	120.1°	120.1°
O3	C22	C21	H18	120.2°	119.9°
O3	C22	C21	N4	63.3°	65.0°
O3	C22	C21	H15	176.8°	175.0°
O3	C22	C21	H16	56.6°	55.1°
O3	C22	H17	H18	119.6°	120.0°
C22	C21	N4	H15	119.9°	120.0°
C22	C21	N4	H16	119.9°	120.0°
C22	C21	N4	C20	145.7°	90.0°
C22	C21	N4	C19	32.8°	90.0°
C22	C21	H15	H16	120.3°	120.0°
C21	C22	H17	H18	119.6°	119.9°
C21	C22	O3	H26	180.0°	180.0°
C21	N4	C20	C19	178.6°	179.9°
C21	N4	C19	O2	125.2°	5.2°
C21	N4	C19	C13	54.7°	174.9°
C21	N4	C20	H12	180.0°	95.2°
C21	N4	C20	H13	60.0°	144.8°
C21	N4	C20	H14	60.0°	24.9°
N4	C21	H15	H16	120.3°	120.0°
N4	C21	C22	H17	56.9°	175.0°
N4	C21	C22	H18	176.6°	55.0°
C20	N4	C19	O2	53.2°	174.9°
C20	N4	C19	C13	126.9°	5.1°
N4	C20	H12	H13	120.0°	120.0°
N4	C20	H12	H14	120.0°	120.0°
N4	C20	H13	H14	120.0°	120.0°
C20	N4	C21	H15	94.4°	29.9°
C20	N4	C21	H16	25.8°	149.9°
N4	C19	O2	C13	179.9°	180.0°
N4	C19	C13	C12	1.7°	104.7°
N4	C19	C13	C14	178.4°	75.3°
C19	N4	C20	H12	1.4°	84.8°
C19	N4	C20	H13	121.4°	35.2°
C19	N4	C20	H14	118.6°	155.2°
C19	N4	C21	H15	87.0°	150.0°
C19	N4	C21	H16	152.7°	30.0°
O2	C19	C13	C12	178.2°	75.3°
O2	C19	C13	C14	1.7°	104.8°
C19	C13	C12	C14	179.9°	180.0°
C19	C13	C12	C11	179.8°	180.0°
C19	C13	C14	N2	179.6°	180.0°
C19	C13	C12	H6	0.2°	0.0°
C19	C13	C14	H7	0.4°	0.0°
C1	C2	C3	C7	179.9°	180.0°
C1	C2	C3	C4	179.7°	179.9°
C1	C2	C7	C6	179.6°	179.8°
C1	C2	C7	C8	0.2°	0.5°
C2	C1	H1	H2	120.1°	120.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	119.9°
C1	C2	C3	H19	0.4°	0.1°
C2	C3	C4	H19	180.0°	180.0°
C2	C3	C4	C5	0.2°	0.1°
C3	C2	C7	C6	0.3°	0.2°
C3	C2	C7	C8	179.6°	179.6°
C3	C2	C1	H1	89.9°	90.0°
C3	C2	C1	H2	150.1°	30.1°
C3	C2	C1	H3	30.0°	150.0°
C2	C3	C4	H20	179.8°	179.9°
C4	C3	C2	C7	0.2°	0.0°
C3	C4	C5	H20	180.0°	180.0°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	H21	179.7°	180.0°
C13	C12	C11	H6	180.0°	179.9°
C12	C13	C14	N2	0.3°	0.0°
C13	C12	C11	N1	179.2°	180.0°
C13	C12	C11	C15	0.4°	0.3°
C12	C13	C14	H7	179.7°	180.0°
C14	C13	C12	C11	0.1°	0.0°
C13	C14	N2	H7	180.0°	179.9°
C13	C14	N2	C15	0.0°	0.3°
C13	C14	N2	C17	179.4°	180.0°
C14	C13	C12	H6	179.9°	179.9°
C2	C7	C8	N1	32.2°	42.3°
C2	C7	C6	C8	179.4°	179.7°
C2	C7	C6	C5	0.4°	0.2°
C2	C7	C6	O1	179.8°	179.7°
C2	C7	C8	C9	154.9°	162.4°
C7	C2	C1	H1	89.9°	90.0°
C7	C2	C1	H2	30.1°	150.0°
C7	C2	C1	H3	150.1°	30.0°
C7	C2	C3	H19	179.8°	180.0°
C2	C7	C8	H22	88.4°	77.6°
C12	C11	N1	C15	178.7°	179.7°
C12	C11	N1	C8	167.8°	0.3°
C12	C11	C15	N2	0.7°	0.6°
C12	C11	C15	N3	180.0°	179.7°
C12	C11	N1	H25	46.2°	179.7°
C4	C5	C6	C7	0.4°	0.1°
C4	C5	C6	H21	180.0°	179.9°
C4	C5	C6	O1	179.8°	179.8°
C5	C4	C3	H19	179.8°	179.9°
C14	N2	C15	C11	0.4°	0.6°
C14	N2	C15	C17	179.5°	179.8°
C14	N2	C15	N3	179.9°	179.6°
C14	N2	C17	C16	179.9°	179.2°
C14	N2	C17	H8	0.1°	0.7°
C11	N1	C8	H25	121.5°	180.0°
C11	N1	C8	C7	103.8°	155.0°
N1	C11	C15	N2	179.3°	179.7°
N1	C11	C15	N3	1.4°	0.0°
C11	N1	C8	C9	130.9°	84.8°
N1	C11	C12	H6	0.8°	0.1°
C11	N1	C8	H22	16.4°	35.2°
C15	C11	N1	C8	10.9°	180.0°
C11	C15	N2	N3	179.5°	179.8°
C11	C15	N2	C17	179.0°	179.6°
C11	C15	N3	C16	179.3°	180.0°
C15	C11	C12	H6	179.6°	179.8°
C15	C11	N1	H25	132.4°	0.0°
N1	C8	C7	C6	148.4°	138.0°
N1	C8	C7	C9	122.8°	120.1°
N1	C8	C7	H22	120.6°	119.8°
N1	C8	C9	H22	115.2°	119.9°
N1	C8	C9	C10	174.7°	168.3°
N1	C8	C9	H23	65.4°	72.0°
N1	C8	C9	H24	54.8°	48.6°
C7	C6	C5	O1	179.8°	179.9°
C6	C7	C8	C9	25.7°	17.9°
C7	C6	O1	C10	8.2°	17.2°
C7	C6	C5	H21	179.6°	179.9°
C6	C7	C8	H22	91.0°	102.2°
C8	C7	C6	C5	179.8°	179.5°
C8	C7	C6	O1	0.4°	0.6°
C7	C8	C9	H22	116.8°	120.0°
C7	C8	C9	C10	57.3°	48.1°
C7	C8	C9	H23	62.6°	167.9°
C7	C8	C9	H24	177.2°	71.5°
C7	C8	N1	H25	17.7°	25.0°
C5	C6	O1	C10	172.0°	162.9°
C6	C5	C4	H20	179.7°	179.9°
C15	N2	C17	C16	0.7°	0.5°
N2	C15	N3	C16	0.1°	0.3°
C15	N2	C14	H7	180.0°	179.7°
C15	N2	C17	H8	179.3°	179.5°
C17	N2	C15	N3	0.5°	0.2°
N2	C17	C16	H8	180.0°	180.0°
N2	C17	C16	N3	0.6°	0.7°
N2	C17	C16	C18	179.3°	180.0°
C17	N2	C14	H7	0.6°	0.0°
C15	N3	C16	C17	0.4°	0.6°
C15	N3	C16	C18	179.5°	179.9°
C6	O1	C10	C9	38.9°	49.1°
C6	O1	C10	H4	158.3°	168.9°
C6	O1	C10	H5	80.5°	70.6°
O1	C6	C5	H21	0.2°	0.3°
C8	C9	C10	H23	119.9°	119.7°
C8	C9	C10	H24	119.9°	119.7°
C8	C9	C10	O1	61.6°	64.6°
C8	C9	C10	H4	179.0°	175.6°
C8	C9	C10	H5	57.9°	55.1°
C8	C9	H23	H24	120.3°	120.5°
C9	C8	N1	H25	107.5°	95.2°
C17	C16	N3	C18	179.9°	179.3°
C17	C16	C18	H9	179.9°	90.0°
C17	C16	C18	H10	60.1°	150.0°
C17	C16	C18	H11	59.9°	29.9°
N3	C16	C17	H8	179.4°	179.4°
N3	C16	C18	H9	0.0°	90.7°
N3	C16	C18	H10	120.0°	29.2°
N3	C16	C18	H11	120.0°	149.3°
C9	C10	O1	H4	119.4°	119.8°
C9	C10	O1	H5	119.4°	119.8°
C9	C10	H4	H5	121.7°	120.6°
C10	C9	C8	H22	59.5°	71.9°
C10	C9	H23	H24	120.3°	120.6°
C18	C16	C17	H8	0.7°	0.0°
C16	C18	H9	H10	120.0°	120.0°
C16	C18	H9	H11	120.0°	120.0°
C16	C18	H10	H11	119.9°	120.0°
O1	C10	H4	H5	121.7°	120.4°
O1	C10	C9	H23	58.3°	175.6°
O1	C10	C9	H24	178.5°	55.0°
H1	C1	H2	H3	119.9°	120.1°
H4	C10	C9	H23	61.1°	55.9°
H4	C10	C9	H24	59.1°	64.7°
H5	C10	C9	H23	177.8°	64.6°
H5	C10	C9	H24	62.0°	174.7°
H9	C18	H10	H11	120.0°	120.0°
H12	C20	H13	H14	120.0°	120.0°
H15	C21	C22	H17	63.0°	54.9°
H15	C21	C22	H18	56.7°	65.0°
H16	C21	C22	H17	176.8°	65.0°
H16	C21	C22	H18	63.5°	175.0°
H17	C22	O3	H26	59.9°	60.0°
H18	C22	O3	H26	59.9°	60.1°
H19	C3	C4	H20	0.2°	0.1°
H20	C4	C5	H21	0.3°	0.0°
H22	C8	C9	H23	179.4°	47.9°
H22	C8	C9	H24	60.4°	168.4°
H22	C8	N1	H25	137.9°	144.9°

Release date:	2022-01-05
Definition date:	2021-12-03
Last modified:	2021-12-31
Release status:	REL
Processing site:	PDBJ
Derived from:	7W48