6H4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	N02	sing	1.47Å	1.28Å
C05	N02	sing	1.47Å	1.39Å
C05	C06	sing	1.53Å	1.54Å
N02	C03	sing	1.47Å	1.35Å
C06	N07	sing	1.47Å	1.46Å
C03	C04	sing	1.53Å	1.55Å
C04	N07	sing	1.47Å	1.46Å
N07	C08	sing	1.40Å	1.50Å
C26	C25	doub	1.38Å	1.40Å	Aromatic
C26	C27	sing	1.39Å	1.42Å	Aromatic
C08	C09	doub	1.39Å	1.38Å	Aromatic
C08	C11	sing	1.39Å	1.40Å	Aromatic
C25	C24	sing	1.38Å	1.42Å	Aromatic
C09	C10	sing	1.38Å	1.42Å	Aromatic
O32	C29	doub	1.22Å	1.17Å
C30	C29	sing	1.47Å	1.53Å
C30	C31	doub	1.33Å	1.60Å
C29	N28	sing	1.35Å	1.46Å
C11	C12	doub	1.38Å	1.40Å	Aromatic
N28	C27	sing	1.40Å	1.46Å
C10	C13	doub	1.39Å	1.39Å	Aromatic
C27	C22	doub	1.39Å	1.44Å	Aromatic
C24	C23	doub	1.38Å	1.43Å	Aromatic
C12	C13	sing	1.39Å	1.41Å	Aromatic
C13	N14	sing	1.40Å	1.49Å
C22	C23	sing	1.39Å	1.39Å	Aromatic
C22	O21	sing	1.36Å	1.42Å
N14	C15	sing	1.39Å	1.44Å
N33	C15	doub	1.33Å	1.31Å	Aromatic
N33	C20	sing	1.33Å	1.32Å	Aromatic
C15	N16	sing	1.32Å	1.34Å	Aromatic
O21	C20	sing	1.36Å	1.41Å
C20	C18	doub	1.39Å	1.41Å	Aromatic
N16	C17	doub	1.32Å	1.32Å	Aromatic
C18	C17	sing	1.38Å	1.37Å	Aromatic
C18	CL19	sing	1.74Å	1.78Å
C10	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C17	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C03	H9	sing	1.09Å	1.10Å
C03	H10	sing	1.09Å	1.10Å
C04	H11	sing	1.09Å	1.10Å
C04	H12	sing	1.09Å	1.10Å
C05	H13	sing	1.09Å	1.10Å
C05	H14	sing	1.09Å	1.10Å
C06	H15	sing	1.09Å	1.10Å
C06	H16	sing	1.09Å	1.10Å
C09	H17	sing	1.08Å	1.08Å
N14	H18	sing	0.97Å	1.00Å
C23	H19	sing	1.08Å	1.08Å
C24	H20	sing	1.08Å	1.08Å
C25	H21	sing	1.08Å	1.08Å
C26	H22	sing	1.08Å	1.08Å
N28	H23	sing	0.97Å	1.00Å
C30	H24	sing	1.08Å	1.08Å
C31	H26	sing	1.08Å	1.08Å
C31	H27	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	N02	C05	109.4°	111.0°
C01	N02	C03	110.2°	111.0°
N02	C01	H5	109.5°	109.5°
N02	C01	H6	109.5°	109.5°
N02	C01	H7	109.5°	109.5°
N02	C05	C06	112.4°	109.4°
C05	N02	C03	111.0°	110.9°
N02	C05	H13	108.8°	109.5°
N02	C05	H14	108.8°	109.5°
C05	C06	N07	115.3°	109.4°
C06	C05	H13	108.7°	109.5°
C06	C05	H14	108.7°	109.5°
C05	C06	H15	108.0°	109.5°
C05	C06	H16	108.0°	109.4°
N02	C03	C04	111.2°	109.3°
N02	C03	H9	109.0°	109.5°
N02	C03	H10	109.1°	109.5°
C06	N07	C04	113.1°	110.9°
C06	N07	C08	119.0°	111.0°
N07	C06	H15	108.0°	109.5°
N07	C06	H16	108.0°	109.5°
C03	C04	N07	115.9°	109.4°
C04	C03	H9	109.0°	109.5°
C04	C03	H10	109.0°	109.5°
C03	C04	H11	107.8°	109.5°
C03	C04	H12	107.8°	109.5°
C04	N07	C08	119.2°	111.0°
N07	C04	H11	107.9°	109.5°
N07	C04	H12	107.9°	109.5°
N07	C08	C09	119.5°	120.0°
N07	C08	C11	119.9°	120.0°
C25	C26	C27	120.2°	120.0°
C26	C25	C24	120.2°	120.2°
C26	C25	H21	119.9°	119.9°
C25	C26	H22	119.9°	120.0°
C26	C27	N28	119.3°	120.1°
C26	C27	C22	119.8°	119.8°
C27	C26	H22	119.8°	120.0°
C09	C08	C11	120.6°	120.0°
C08	C09	C10	119.8°	120.0°
C08	C09	H17	120.1°	120.0°
C08	C11	C12	119.5°	120.0°
C08	C11	H2	120.3°	120.0°
C25	C24	C23	119.7°	120.2°
C25	C24	H20	120.2°	119.9°
C24	C25	H21	119.9°	119.9°
C09	C10	C13	120.3°	120.0°
C09	C10	H1	119.9°	120.0°
C10	C09	H17	120.1°	120.0°
O32	C29	C30	119.6°	120.0°
O32	C29	N28	120.4°	120.0°
C29	C30	C31	111.4°	120.0°
C30	C29	N28	120.0°	120.0°
C29	C30	H24	124.3°	120.0°
C31	C30	H24	124.3°	120.0°
C30	C31	H26	120.0°	120.0°
C30	C31	H27	120.0°	120.0°
C29	N28	C27	121.1°	120.0°
C29	N28	H23	119.5°	120.0°
C11	C12	C13	120.5°	120.0°
C12	C11	H2	120.3°	120.1°
C11	C12	H3	119.8°	120.0°
N28	C27	C22	120.9°	120.1°
C27	N28	H23	119.5°	120.0°
C10	C13	C12	119.4°	120.0°
C10	C13	N14	121.3°	120.0°
C13	C10	H1	119.9°	120.0°
C27	C22	C23	119.7°	119.9°
C27	C22	O21	119.5°	120.1°
C24	C23	C22	120.4°	120.0°
C24	C23	H19	119.8°	120.0°
C23	C24	H20	120.2°	119.9°
C12	C13	N14	119.3°	120.0°
C13	C12	H3	119.7°	120.0°
C13	N14	C15	126.4°	120.0°
C13	N14	H18	116.8°	120.0°
C23	C22	O21	120.7°	120.0°
C22	C23	H19	119.8°	120.0°
C22	O21	C20	115.1°	118.0°
N14	C15	N33	121.8°	119.1°
N14	C15	N16	117.5°	119.2°
C15	N14	H18	116.8°	120.0°
C15	N33	C20	120.7°	120.6°
N33	C15	N16	120.7°	121.7°
N33	C20	O21	122.1°	120.4°
N33	C20	C18	119.4°	119.1°
C15	N16	C17	122.3°	120.9°
O21	C20	C18	118.4°	120.5°
C20	C18	C17	118.6°	118.5°
C20	C18	CL19	121.1°	120.7°
N16	C17	C18	118.2°	119.3°
N16	C17	H4	120.9°	120.4°
C17	C18	CL19	120.2°	120.8°
C18	C17	H4	120.9°	120.4°
H5	C01	H6	109.4°	109.5°
H5	C01	H7	109.4°	109.5°
H6	C01	H7	109.5°	109.4°
H9	C03	H10	109.5°	109.5°
H11	C04	H12	109.5°	109.5°
H13	C05	H14	109.4°	109.5°
H15	C06	H16	109.5°	109.6°
H26	C31	H27	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	N02	C05	C03	121.7°	123.9°
C01	N02	C05	C06	177.1°	64.6°
C01	N02	C03	C04	175.9°	64.6°
N02	C01	H5	H6	120.0°	120.0°
N02	C01	H5	H7	120.0°	120.0°
N02	C01	H6	H7	120.0°	120.0°
C01	N02	C03	H9	63.8°	55.4°
C01	N02	C03	H10	55.7°	175.5°
C01	N02	C05	H13	56.6°	175.5°
C01	N02	C05	H14	62.5°	55.4°
N02	C05	C06	H13	120.5°	120.0°
N02	C05	C06	H14	120.4°	120.0°
N02	C05	C06	N07	10.6°	58.3°
C05	N02	C03	C04	62.8°	59.3°
C05	N02	C01	H5	180.0°	63.8°
C05	N02	C01	H6	60.0°	56.2°
C05	N02	C01	H7	60.0°	176.2°
C05	N02	C03	H9	57.5°	179.3°
C05	N02	C03	H10	177.0°	60.6°
N02	C05	H13	H14	118.7°	120.1°
N02	C05	C06	H15	110.2°	178.3°
N02	C05	C06	H16	131.5°	61.6°
C06	C05	N02	C03	61.2°	59.3°
C05	C06	N07	H15	120.8°	120.0°
C05	C06	N07	H16	120.9°	119.9°
C05	C06	N07	C04	33.3°	59.3°
C05	C06	N07	C08	179.2°	176.8°
C06	C05	H13	H14	118.7°	120.1°
C05	C06	H15	H16	117.3°	120.0°
N02	C03	C04	H9	120.3°	119.9°
N02	C03	C04	H10	120.3°	119.9°
N02	C03	C04	N07	15.1°	58.4°
C03	N02	C01	H5	57.8°	60.0°
C03	N02	C01	H6	62.2°	180.0°
C03	N02	C01	H7	177.8°	60.0°
N02	C03	H9	H10	119.2°	120.0°
N02	C03	C04	H11	136.0°	61.6°
N02	C03	C04	H12	105.8°	178.4°
C03	N02	C05	H13	178.4°	60.6°
C03	N02	C05	H14	59.3°	179.3°
C06	N07	C04	C03	31.5°	59.3°
C06	N07	C04	C08	147.5°	123.9°
C06	N07	C08	C09	29.5°	56.2°
C06	N07	C08	C11	150.2°	124.4°
C06	N07	C04	H11	89.4°	60.7°
C06	N07	C04	H12	152.5°	179.3°
N07	C06	C05	H13	131.1°	61.6°
N07	C06	C05	H14	109.8°	178.3°
N07	C06	H15	H16	117.4°	120.1°
C03	C04	N07	H11	120.9°	120.0°
C03	C04	N07	H12	120.9°	119.9°
C03	C04	N07	C08	179.0°	176.8°
C04	C03	H9	H10	119.2°	120.1°
C03	C04	H11	H12	117.1°	120.0°
C04	N07	C08	C09	175.0°	180.0°
C04	N07	C08	C11	4.7°	0.5°
N07	C04	C03	H9	105.2°	178.3°
N07	C04	C03	H10	135.4°	61.5°
N07	C04	H11	H12	117.1°	120.1°
C04	N07	C06	H15	154.1°	179.3°
C04	N07	C06	H16	87.6°	60.6°
N07	C08	C09	C11	179.7°	179.5°
N07	C08	C09	C10	180.0°	180.0°
N07	C08	C11	C12	180.0°	179.8°
N07	C08	C11	H2	0.0°	0.2°
C08	N07	C04	H11	58.1°	63.2°
C08	N07	C04	H12	60.1°	56.8°
C08	N07	C06	H15	58.3°	56.8°
C08	N07	C06	H16	60.0°	63.3°
N07	C08	C09	H17	0.0°	0.0°
C25	C26	C27	H22	180.0°	179.8°
C26	C25	C24	H21	180.0°	180.0°
C25	C26	C27	N28	179.7°	180.0°
C25	C26	C27	C22	1.0°	0.5°
C26	C25	C24	C23	0.1°	0.0°
C26	C25	C24	H20	179.9°	180.0°
C27	C26	C25	C24	0.2°	0.2°
C26	C27	N28	C29	52.6°	33.8°
C26	C27	N28	C22	178.7°	179.5°
C26	C27	C22	C23	1.6°	0.5°
C26	C27	C22	O21	179.1°	179.8°
C27	C26	C25	H21	179.7°	179.8°
C26	C27	N28	H23	127.4°	146.3°
C08	C09	C10	H17	180.0°	180.0°
C09	C08	C11	C12	0.3°	0.8°
C08	C09	C10	C13	0.2°	0.1°
C08	C09	C10	H1	179.8°	179.8°
C09	C08	C11	H2	179.7°	179.7°
C11	C08	C09	C10	0.3°	0.5°
C08	C11	C12	H2	180.0°	179.5°
C08	C11	C12	C13	0.1°	0.5°
C08	C11	C12	H3	179.9°	180.0°
C11	C08	C09	H17	179.7°	179.5°
C25	C24	C23	H20	180.0°	180.0°
C25	C24	C23	C22	0.8°	0.1°
C25	C24	C23	H19	179.2°	180.0°
C24	C25	C26	H22	179.8°	180.0°
C09	C10	C13	H1	180.0°	179.8°
C09	C10	C13	C12	0.6°	0.2°
C09	C10	C13	N14	179.6°	179.8°
O32	C29	C30	N28	180.0°	180.0°
O32	C29	C30	C31	139.7°	0.0°
O32	C29	N28	C27	0.4°	5.8°
O32	C29	N28	H23	179.6°	174.1°
O32	C29	C30	H24	40.3°	180.0°
C29	C30	C31	H24	180.0°	180.0°
C30	C29	N28	C27	179.6°	174.2°
C30	C29	N28	H23	0.4°	5.9°
C29	C30	C31	H26	180.0°	0.0°
C29	C30	C31	H27	0.0°	180.0°
C31	C30	C29	N28	40.3°	180.0°
C30	C31	H26	H27	180.0°	180.0°
C29	N28	C27	H23	180.0°	179.9°
C29	N28	C27	C22	128.7°	146.7°
N28	C29	C30	H24	139.7°	0.0°
C11	C12	C13	C10	0.6°	0.1°
C11	C12	C13	H3	180.0°	179.5°
C11	C12	C13	N14	179.5°	180.0°
N28	C27	C22	C23	179.7°	180.0°
N28	C27	C22	O21	2.2°	0.3°
N28	C27	C26	H22	0.3°	0.2°
C10	C13	C12	N14	179.0°	179.9°
C10	C13	N14	C15	20.3°	144.5°
C10	C13	C12	H3	179.4°	179.5°
C13	C10	C09	H17	179.8°	180.0°
C10	C13	N14	H18	159.7°	35.4°
C27	C22	C23	C24	1.5°	0.3°
C27	C22	C23	O21	177.4°	179.7°
C27	C22	O21	C20	105.3°	80.0°
C27	C22	C23	H19	178.5°	179.8°
C22	C27	C26	H22	179.0°	179.7°
C22	C27	N28	H23	51.3°	33.2°
C24	C23	C22	H19	180.0°	179.9°
C24	C23	C22	O21	178.9°	180.0°
C23	C24	C25	H21	179.9°	180.0°
C12	C13	N14	C15	160.8°	35.4°
C12	C13	C10	H1	179.4°	180.0°
C13	C12	C11	H2	179.9°	180.0°
C12	C13	N14	H18	19.2°	144.6°
C13	N14	C15	H18	180.0°	180.0°
C13	N14	C15	N33	3.4°	176.3°
C13	N14	C15	N16	176.6°	4.0°
N14	C13	C10	H1	0.5°	0.1°
N14	C13	C12	H3	0.5°	0.5°
C23	C22	O21	C20	77.3°	99.7°
C22	C23	C24	H20	179.2°	180.0°
C22	O21	C20	N33	21.5°	4.4°
C22	O21	C20	C18	159.1°	174.9°
O21	C22	C23	H19	1.1°	0.1°
N14	C15	N33	N16	179.9°	179.7°
N14	C15	N33	C20	179.9°	179.7°
N14	C15	N16	C17	179.9°	179.9°
C15	N33	C20	O21	179.6°	179.8°
C15	N33	C20	C18	0.2°	0.4°
N33	C15	N16	C17	0.2°	0.2°
N33	C15	N14	H18	176.6°	3.7°
C20	N33	C15	N16	0.2°	0.0°
N33	C20	O21	C18	179.4°	179.3°
N33	C20	C18	C17	0.3°	0.7°
N33	C20	C18	CL19	179.9°	179.7°
C15	N16	C17	C18	0.2°	0.1°
C15	N16	C17	H4	179.7°	180.0°
N16	C15	N14	H18	3.4°	176.0°
O21	C20	C18	C17	179.7°	180.0°
O21	C20	C18	CL19	0.5°	0.4°
C20	C18	C17	N16	0.3°	0.5°
C20	C18	C17	CL19	179.8°	179.6°
C20	C18	C17	H4	179.7°	179.6°
N16	C17	C18	H4	180.0°	179.9°
N16	C17	C18	CL19	179.9°	179.9°
CL19	C18	C17	H4	0.1°	0.0°
H1	C10	C09	H17	0.2°	0.2°
H2	C11	C12	H3	0.1°	0.5°
H5	C01	H6	H7	119.9°	120.0°
H9	C03	C04	H11	15.8°	58.3°
H9	C03	C04	H12	133.9°	61.7°
H10	C03	C04	H11	103.7°	178.5°
H10	C03	C04	H12	14.4°	58.4°
H13	C05	C06	H15	10.2°	58.4°
H13	C05	C06	H16	108.0°	178.5°
H14	C05	C06	H15	129.3°	61.7°
H14	C05	C06	H16	11.1°	58.4°
H19	C23	C24	H20	0.8°	0.1°
H20	C24	C25	H21	0.1°	0.1°
H21	C25	C26	H22	0.3°	0.0°
H24	C30	C31	H26	0.0°	180.0°
H24	C30	C31	H27	180.0°	0.0°

Release date:	2017-02-15
Definition date:	2016-04-08
Last modified:	2017-02-10
Release status:	REL
Processing site:	RCSB
Derived from:	5J8I