0BX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C19	doub	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C21	C16	doub	1.39Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
C16	N04	sing	1.40Å	1.43Å
N04	C13	sing	1.39Å	1.43Å
C14	C13	doub	1.40Å	1.40Å	Aromatic
C14	C15	sing	1.38Å	1.40Å	Aromatic
C13	N02	sing	1.33Å	1.34Å	Aromatic
C15	N03	doub	1.32Å	1.34Å	Aromatic
N02	C12	doub	1.32Å	1.33Å	Aromatic
C08	C07	doub	1.38Å	1.40Å	Aromatic
C08	C09	sing	1.39Å	1.40Å	Aromatic
C07	C06	sing	1.40Å	1.40Å	Aromatic
C12	N03	sing	1.32Å	1.34Å	Aromatic
C12	N01	sing	1.39Å	1.43Å
O23	C11	doub	1.21Å	1.26Å
C09	N01	sing	1.39Å	1.43Å
C09	C10	doub	1.39Å	1.38Å	Aromatic
C06	C11	sing	1.47Å	1.49Å
C06	C05	doub	1.40Å	1.38Å	Aromatic
C11	O22	sing	1.35Å	1.27Å
C10	C05	sing	1.38Å	1.38Å	Aromatic
C05	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C08	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
N01	H5	sing	0.97Å	1.00Å
C15	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
N04	H8	sing	0.97Å	1.00Å
C17	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C19	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å
O22	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C20	C21	121.8°	120.1°
C20	C19	C18	118.7°	120.2°
C20	C19	H11	120.6°	119.9°
C19	C20	H12	119.1°	120.0°
C20	C21	C16	119.0°	119.9°
C21	C20	H12	119.1°	120.0°
C20	C21	H13	120.5°	120.0°
C19	C18	C17	119.6°	120.1°
C19	C18	H10	120.2°	120.0°
C18	C19	H11	120.6°	119.9°
C21	C16	C17	119.5°	119.9°
C21	C16	N04	119.9°	120.1°
C16	C21	H13	120.5°	120.0°
C18	C17	C16	121.3°	119.9°
C18	C17	H9	119.4°	120.0°
C17	C18	H10	120.2°	120.0°
C17	C16	N04	120.6°	120.1°
C16	C17	H9	119.3°	120.1°
C16	N04	C13	125.3°	120.0°
C16	N04	H8	117.3°	120.0°
N04	C13	C14	123.4°	120.5°
N04	C13	N02	118.0°	120.5°
C13	N04	H8	117.3°	120.0°
C13	C14	C15	119.6°	118.5°
C14	C13	N02	118.6°	119.0°
C13	C14	H7	120.2°	120.8°
C14	C15	N03	118.2°	119.3°
C14	C15	H6	120.9°	120.4°
C15	C14	H7	120.2°	120.8°
C13	N02	C12	120.9°	120.6°
C15	N03	C12	121.2°	120.9°
N03	C15	H6	120.9°	120.4°
N02	C12	N03	121.5°	121.7°
N02	C12	N01	119.5°	119.2°
C07	C08	C09	119.9°	120.1°
C08	C07	C06	119.1°	119.9°
C07	C08	H3	120.0°	120.0°
C08	C07	H4	120.5°	120.0°
C08	C09	N01	124.8°	119.9°
C08	C09	C10	120.1°	120.1°
C09	C08	H3	120.0°	119.9°
C07	C06	C11	123.0°	120.1°
C07	C06	C05	120.1°	119.9°
C06	C07	H4	120.4°	120.1°
N03	C12	N01	119.0°	119.1°
C12	N01	C09	125.5°	120.0°
C12	N01	H5	117.2°	119.9°
O23	C11	C06	121.1°	120.0°
O23	C11	O22	120.2°	120.0°
N01	C09	C10	115.2°	119.9°
C09	N01	H5	117.2°	120.1°
C09	C10	C05	119.8°	120.1°
C09	C10	H2	120.1°	119.9°
C11	C06	C05	116.9°	120.1°
C06	C11	O22	118.7°	120.0°
C06	C05	C10	121.0°	119.9°
C06	C05	H1	119.5°	120.0°
C11	O22	H14	109.5°	117.0°
C10	C05	H1	119.5°	120.1°
C05	C10	H2	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C20	C21	H12	180.0°	179.7°
C20	C19	C18	H11	180.0°	180.0°
C19	C20	C21	C16	0.2°	0.5°
C20	C19	C18	C17	0.2°	0.0°
C20	C19	C18	H10	179.8°	180.0°
C19	C20	C21	H13	179.7°	180.0°
C21	C20	C19	C18	0.6°	0.3°
C20	C21	C16	H13	180.0°	179.5°
C20	C21	C16	C17	0.9°	0.5°
C20	C21	C16	N04	178.7°	179.7°
C21	C20	C19	H11	179.5°	179.7°
C19	C18	C17	H10	180.0°	180.0°
C19	C18	C17	C16	1.3°	0.0°
C19	C18	C17	H9	178.7°	180.0°
C18	C19	C20	H12	179.5°	180.0°
C21	C16	C17	C18	1.6°	0.2°
C21	C16	C17	N04	177.8°	179.8°
C21	C16	N04	C13	132.3°	32.9°
C21	C16	N04	H8	47.7°	147.1°
C21	C16	C17	H9	178.3°	179.8°
C16	C21	C20	H12	179.8°	179.7°
C18	C17	C16	H9	180.0°	180.0°
C18	C17	C16	N04	179.4°	180.0°
C17	C18	C19	H11	179.8°	180.0°
C17	C16	N04	C13	49.9°	147.3°
C17	C16	N04	H8	130.1°	32.7°
C16	C17	C18	H10	178.7°	180.0°
C17	C16	C21	H13	179.2°	180.0°
C16	N04	C13	H8	180.0°	180.0°
C16	N04	C13	C14	8.1°	174.2°
C16	N04	C13	N02	172.6°	5.6°
N04	C16	C17	H9	0.5°	0.0°
N04	C16	C21	H13	1.4°	0.2°
N04	C13	C14	N02	179.2°	179.8°
N04	C13	C14	C15	179.3°	180.0°
N04	C13	N02	C12	178.6°	179.8°
N04	C13	C14	H7	0.7°	0.2°
C13	C14	C15	H7	180.0°	179.8°
C13	C14	C15	N03	0.8°	0.0°
C14	C13	N02	C12	0.6°	0.4°
C13	C14	C15	H6	179.2°	180.0°
C14	C13	N04	H8	171.9°	5.8°
C15	C14	C13	N02	0.1°	0.2°
C14	C15	N03	H6	180.0°	179.9°
C14	C15	N03	C12	0.8°	0.0°
C13	N02	C12	N03	0.7°	0.5°
C13	N02	C12	N01	179.1°	179.8°
N02	C13	C14	H7	179.9°	180.0°
N02	C13	N04	H8	7.3°	174.4°
C15	N03	C12	N02	0.0°	0.2°
C15	N03	C12	N01	179.8°	180.0°
N03	C15	C14	H7	179.2°	179.7°
N02	C12	N03	N01	179.8°	179.8°
N02	C12	N01	C09	10.2°	175.1°
N02	C12	N01	H5	169.8°	4.9°
C07	C08	C09	H3	180.0°	179.4°
C08	C07	C06	H4	180.0°	179.4°
C07	C08	C09	N01	179.7°	179.7°
C07	C08	C09	C10	0.1°	0.3°
C08	C07	C06	C11	179.7°	179.7°
C08	C07	C06	C05	0.2°	0.6°
C09	C08	C07	C06	0.2°	0.6°
C08	C09	N01	C12	12.9°	34.1°
C08	C09	N01	C10	179.6°	180.0°
C08	C09	C10	C05	0.4°	0.0°
C08	C09	C10	H2	179.6°	180.0°
C09	C08	C07	H4	179.8°	180.0°
C08	C09	N01	H5	167.2°	145.9°
C07	C06	C11	O23	19.0°	179.7°
C07	C06	C11	C05	179.9°	179.7°
C07	C06	C11	O22	161.6°	0.3°
C07	C06	C05	C10	0.0°	0.3°
C07	C06	C05	H1	180.0°	179.7°
C06	C07	C08	H3	179.8°	180.0°
N03	C12	N01	C09	169.6°	5.1°
N03	C12	N01	H5	10.4°	174.9°
C12	N03	C15	H6	179.3°	180.0°
C12	N01	C09	H5	180.0°	180.0°
C12	N01	C09	C10	167.5°	145.9°
O23	C11	C06	O22	179.4°	180.0°
O23	C11	C06	C05	160.9°	0.0°
O23	C11	O22	H14	0.0°	0.0°
N01	C09	C10	C05	179.9°	180.0°
N01	C09	C10	H2	0.1°	0.0°
N01	C09	C08	H3	0.2°	0.3°
C09	C10	C05	C06	0.4°	0.0°
C09	C10	C05	H2	180.0°	180.0°
C09	C10	C05	H1	179.6°	180.0°
C10	C09	C08	H3	179.8°	179.7°
C10	C09	N01	H5	12.5°	34.1°
C11	C06	C05	C10	179.9°	180.0°
C11	C06	C05	H1	0.1°	0.0°
C11	C06	C07	H4	0.3°	0.3°
C06	C11	O22	H14	179.4°	180.0°
C05	C06	C11	O22	18.5°	180.0°
C06	C05	C10	H1	180.0°	179.9°
C06	C05	C10	H2	179.6°	180.0°
C05	C06	C07	H4	179.8°	180.0°
H1	C05	C10	H2	0.4°	0.1°
H3	C08	C07	H4	0.2°	0.6°
H6	C15	C14	H7	0.8°	0.2°
H9	C17	C18	H10	1.3°	0.0°
H10	C18	C19	H11	0.2°	0.0°
H11	C19	C20	H12	0.5°	0.0°
H12	C20	C21	H13	0.2°	0.3°

Definition date:	2011-11-29
Last modified:	2012-01-20
Release status:	REL
Processing site:	RCSB
Derived from:	3UNJ