BZ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	O02	sing	1.43Å	1.41Å
O02	C03	sing	1.36Å	1.33Å
C25	C03	doub	1.39Å	1.41Å	Aromatic
C25	C24	sing	1.38Å	1.39Å	Aromatic
C03	C04	sing	1.39Å	1.38Å	Aromatic
N22	C21	sing	1.34Å	1.41Å	Aromatic
N22	C23	doub	1.31Å	1.35Å	Aromatic
C24	C06	doub	1.39Å	1.38Å	Aromatic
C21	C20	doub	1.35Å	1.38Å	Aromatic
C04	C05	doub	1.38Å	1.37Å	Aromatic
C23	N19	sing	1.35Å	1.41Å	Aromatic
C06	C05	sing	1.39Å	1.38Å	Aromatic
C06	C07	sing	1.48Å	1.45Å
C20	N19	sing	1.37Å	1.41Å	Aromatic
N19	C18	sing	1.47Å	1.46Å
C07	N08	doub	1.32Å	1.32Å	Aromatic
C07	C17	sing	1.41Å	1.42Å	Aromatic
N08	N09	sing	1.40Å	1.29Å	Aromatic
C17	C18	sing	1.51Å	1.50Å
C17	C16	doub	1.35Å	1.39Å	Aromatic
N09	C10	sing	1.40Å	1.43Å
N09	C16	sing	1.36Å	1.39Å	Aromatic
C15	C10	doub	1.39Å	1.36Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C10	C11	sing	1.39Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.37Å	Aromatic
C13	C12	sing	1.38Å	1.38Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.08Å	1.08Å
C05	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C15	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C18	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
C20	H14	sing	1.08Å	1.08Å
C21	H15	sing	1.08Å	1.08Å
C23	H16	sing	1.08Å	1.08Å
C24	H17	sing	1.08Å	1.08Å
C25	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	O02	C03	115.2°	117.0°
O02	C01	H1	109.5°	109.5°
O02	C01	H2	109.5°	109.5°
O02	C01	H3	109.5°	109.5°
O02	C03	C25	120.6°	119.9°
O02	C03	C04	118.9°	120.0°
C03	C25	C24	119.4°	120.1°
C25	C03	C04	120.5°	120.2°
C03	C25	H18	120.3°	120.0°
C25	C24	C06	119.2°	119.9°
C25	C24	H17	120.4°	120.1°
C24	C25	H18	120.3°	120.0°
C03	C04	C05	119.5°	120.1°
C03	C04	H4	120.3°	120.0°
C21	N22	C23	105.6°	109.3°
N22	C21	C20	110.6°	108.0°
N22	C21	H15	124.7°	125.9°
N22	C23	N19	111.1°	108.7°
N22	C23	H16	124.5°	125.6°
C24	C06	C05	121.2°	119.9°
C24	C06	C07	121.3°	120.1°
C06	C24	H17	120.4°	120.0°
C21	C20	N19	106.7°	106.8°
C21	C20	H14	126.7°	126.6°
C20	C21	H15	124.7°	126.0°
C04	C05	C06	120.3°	119.9°
C05	C04	H4	120.2°	120.0°
C04	C05	H5	119.9°	120.0°
C23	N19	C20	106.1°	107.2°
C23	N19	C18	126.1°	126.4°
N19	C23	H16	124.5°	125.7°
C05	C06	C07	117.5°	120.1°
C06	C05	H5	119.9°	120.1°
C06	C07	N08	118.4°	126.0°
C06	C07	C17	128.6°	126.0°
C20	N19	C18	127.8°	126.4°
N19	C20	H14	126.7°	126.6°
N19	C18	C17	117.9°	109.4°
N19	C18	H12	107.3°	109.5°
N19	C18	H13	107.3°	109.5°
N08	C07	C17	113.0°	108.0°
C07	N08	N09	104.0°	108.2°
C07	C17	C18	128.3°	126.0°
C07	C17	C16	103.8°	107.9°
N08	N09	C10	118.4°	126.0°
N08	N09	C16	115.7°	108.1°
C18	C17	C16	128.0°	126.1°
C17	C18	H12	107.3°	109.5°
C17	C18	H13	107.3°	109.4°
C17	C16	N09	103.5°	107.8°
C17	C16	H11	128.2°	126.1°
C10	N09	C16	125.8°	126.0°
N09	C10	C15	119.4°	120.1°
N09	C10	C11	116.0°	120.0°
N09	C16	H11	128.2°	126.1°
C10	C15	C14	116.5°	119.9°
C15	C10	C11	124.6°	119.9°
C10	C15	H10	121.8°	120.0°
C15	C14	C13	120.9°	120.0°
C15	C14	H9	119.5°	120.0°
C14	C15	H10	121.7°	120.0°
C10	C11	C12	118.0°	119.9°
C10	C11	H6	121.0°	120.1°
C14	C13	C12	121.1°	120.1°
C14	C13	H8	119.5°	119.9°
C13	C14	H9	119.5°	120.0°
C11	C12	C13	118.8°	120.1°
C12	C11	H6	121.0°	120.0°
C11	C12	H7	120.6°	119.9°
C13	C12	H7	120.6°	120.0°
C12	C13	H8	119.4°	119.9°
H1	C01	H2	109.4°	109.4°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H12	C18	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	O02	C03	C25	12.2°	0.3°
C01	O02	C03	C04	167.6°	180.0°
O02	C01	H1	H2	120.0°	119.9°
O02	C01	H1	H3	120.0°	120.0°
O02	C01	H2	H3	120.0°	120.0°
O02	C03	C25	C04	179.8°	179.7°
O02	C03	C25	C24	179.5°	179.7°
O02	C03	C04	C05	179.0°	179.7°
C03	O02	C01	H1	180.0°	60.0°
C03	O02	C01	H2	60.0°	60.0°
C03	O02	C01	H3	60.0°	180.0°
O02	C03	C04	H4	1.1°	0.3°
O02	C03	C25	H18	0.5°	0.3°
C03	C25	C24	H18	180.0°	180.0°
C03	C25	C24	C06	0.1°	0.0°
C25	C03	C04	C05	0.8°	0.0°
C25	C03	C04	H4	179.2°	180.0°
C03	C25	C24	H17	179.9°	180.0°
C24	C25	C03	C04	0.3°	0.0°
C25	C24	C06	H17	180.0°	179.9°
C25	C24	C06	C05	0.6°	0.1°
C25	C24	C06	C07	179.8°	180.0°
C03	C04	C05	H4	180.0°	180.0°
C03	C04	C05	C06	1.3°	0.0°
C03	C04	C05	H5	178.7°	179.9°
C04	C03	C25	H18	179.7°	180.0°
N22	C21	C20	H15	180.0°	180.0°
C21	N22	C23	N19	0.8°	0.4°
N22	C21	C20	N19	0.1°	0.0°
N22	C21	C20	H14	179.8°	179.7°
C21	N22	C23	H16	179.2°	180.0°
C23	N22	C21	C20	0.6°	0.3°
N22	C23	N19	H16	180.0°	179.6°
N22	C23	N19	C20	0.8°	0.4°
N22	C23	N19	C18	179.0°	179.6°
C23	N22	C21	H15	179.4°	179.8°
C24	C06	C05	C04	1.1°	0.1°
C24	C06	C05	C07	179.7°	179.9°
C24	C06	C07	N08	136.2°	136.8°
C24	C06	C07	C17	43.8°	42.9°
C24	C06	C05	H5	178.9°	180.0°
C06	C24	C25	H18	179.9°	180.0°
C21	C20	N19	C23	0.4°	0.2°
C21	C20	N19	H14	180.0°	179.7°
C21	C20	N19	C18	178.6°	179.7°
C04	C05	C06	H5	180.0°	179.9°
C04	C05	C06	C07	179.2°	180.0°
C23	N19	C20	C18	178.2°	180.0°
C23	N19	C18	C17	123.3°	84.5°
C23	N19	C18	H12	115.5°	155.5°
C23	N19	C18	H13	2.1°	35.4°
C23	N19	C20	H14	179.7°	180.0°
C05	C06	C07	N08	44.2°	43.3°
C05	C06	C07	C17	135.9°	137.0°
C06	C05	C04	H4	178.7°	180.0°
C05	C06	C24	H17	179.5°	180.0°
C06	C07	N08	C17	179.9°	179.8°
C06	C07	N08	N09	179.7°	180.0°
C06	C07	C17	C18	1.0°	0.1°
C06	C07	C17	C16	179.5°	180.0°
C07	C06	C05	H5	0.8°	0.1°
C07	C06	C24	H17	0.2°	0.1°
C20	N19	C18	C17	58.9°	95.5°
C20	N19	C18	H12	62.3°	24.5°
C20	N19	C18	H13	180.0°	144.6°
N19	C20	C21	H15	179.8°	180.0°
C20	N19	C23	H16	179.2°	180.0°
N19	C18	C17	C07	101.7°	80.5°
N19	C18	C17	H12	121.2°	120.0°
N19	C18	C17	H13	121.2°	120.0°
N19	C18	C17	C16	80.1°	99.6°
N19	C18	H12	H13	116.2°	120.0°
C18	N19	C20	H14	1.5°	0.0°
C18	N19	C23	H16	1.0°	0.0°
N08	C07	C17	C18	179.1°	179.7°
N08	C07	C17	C16	0.6°	0.2°
C07	N08	N09	C10	177.9°	179.9°
C07	N08	N09	C16	1.0°	0.2°
C17	C07	N08	N09	0.2°	0.3°
C07	C17	C18	C16	178.2°	179.9°
C07	C17	C16	N09	1.1°	0.1°
C07	C17	C16	H11	179.0°	179.9°
C07	C17	C18	H12	137.0°	39.5°
C07	C17	C18	H13	19.4°	159.5°
N08	N09	C16	C17	1.4°	0.1°
N08	N09	C10	C16	176.6°	179.7°
N08	N09	C10	C15	133.9°	179.7°
N08	N09	C10	C11	46.4°	0.1°
N08	N09	C16	H11	178.7°	179.9°
C18	C17	C16	N09	179.6°	179.9°
C18	C17	C16	H11	0.5°	0.2°
C17	C18	H12	H13	116.2°	120.0°
C17	C16	N09	C10	178.0°	179.8°
C17	C16	N09	H11	180.0°	180.0°
C16	C17	C18	H12	41.1°	140.4°
C16	C17	C18	H13	158.7°	20.4°
N09	C10	C15	C11	179.6°	179.6°
N09	C10	C15	C14	179.6°	179.8°
N09	C10	C11	C12	179.8°	179.7°
N09	C10	C11	H6	0.2°	0.4°
N09	C10	C15	H10	0.3°	0.4°
C10	N09	C16	H11	2.0°	0.2°
C16	N09	C10	C15	49.5°	0.6°
C16	N09	C10	C11	130.2°	179.7°
C10	C15	C14	H10	180.0°	179.8°
C10	C15	C14	C13	0.2°	0.1°
C15	C10	C11	C12	0.1°	0.1°
C15	C10	C11	H6	179.9°	180.0°
C10	C15	C14	H9	179.9°	179.9°
C14	C15	C10	C11	0.0°	0.1°
C15	C14	C13	H9	180.0°	179.9°
C15	C14	C13	C12	0.2°	0.1°
C15	C14	C13	H8	179.8°	180.0°
C10	C11	C12	H6	180.0°	179.9°
C10	C11	C12	C13	0.1°	0.0°
C10	C11	C12	H7	179.9°	179.9°
C11	C10	C15	H10	180.0°	179.9°
C14	C13	C12	C11	0.1°	0.0°
C14	C13	C12	H8	180.0°	180.0°
C14	C13	C12	H7	179.9°	179.9°
C13	C14	C15	H10	179.8°	180.0°
C11	C12	C13	H7	180.0°	179.9°
C11	C12	C13	H8	179.9°	179.9°
C13	C12	C11	H6	179.9°	179.9°
C12	C13	C14	H9	179.8°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H4	C04	C05	H5	1.3°	0.1°
H6	C11	C12	H7	0.1°	0.0°
H7	C12	C13	H8	0.1°	0.0°
H8	C13	C14	H9	0.2°	0.0°
H9	C14	C15	H10	0.1°	0.1°
H14	C20	C21	H15	0.2°	0.3°
H17	C24	C25	H18	0.1°	0.0°

Release date:	2018-03-28
Definition date:	2017-08-09
Last modified:	2018-03-23
Release status:	REL
Processing site:	EBI
Derived from:	5OP9