0C9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O25	C11	doub	1.21Å	1.20Å
O26	C11	sing	1.35Å	1.34Å
C11	C06	sing	1.47Å	1.36Å
C19	C18	doub	1.39Å	1.42Å	Aromatic
C19	C20	sing	1.38Å	1.42Å	Aromatic
C18	C17	sing	1.38Å	1.42Å	Aromatic
C06	C05	doub	1.40Å	1.42Å	Aromatic
C06	C07	sing	1.40Å	1.43Å	Aromatic
C05	C10	sing	1.38Å	1.43Å	Aromatic
C20	C21	doub	1.40Å	1.44Å	Aromatic
C07	C08	doub	1.38Å	1.42Å	Aromatic
C17	C16	doub	1.39Å	1.44Å	Aromatic
C10	C09	doub	1.39Å	1.44Å	Aromatic
C21	C16	sing	1.40Å	1.46Å	Aromatic
C21	C22	sing	1.47Å	1.39Å
C16	N04	sing	1.39Å	1.32Å
C08	C09	sing	1.39Å	1.42Å	Aromatic
C22	O24	doub	1.21Å	1.36Å
C22	O23	sing	1.35Å	1.22Å
C09	N01	sing	1.39Å	1.31Å
N04	C13	sing	1.39Å	1.32Å
N02	C13	doub	1.33Å	1.39Å	Aromatic
N02	C12	sing	1.32Å	1.37Å	Aromatic
N01	C12	sing	1.39Å	1.29Å
C13	C14	sing	1.40Å	1.40Å	Aromatic
C12	N03	doub	1.32Å	1.36Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
N03	C15	sing	1.32Å	1.36Å	Aromatic
N01	H1	sing	0.97Å	1.00Å
N04	H2	sing	0.97Å	1.00Å
C05	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
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
O23	H13	sing	0.97Å	0.95Å
O26	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O25	C11	O26	119.4°	120.0°
O25	C11	C06	119.5°	120.0°
O26	C11	C06	121.0°	120.0°
C11	O26	H14	109.5°	117.1°
C11	C06	C05	120.5°	120.1°
C11	C06	C07	119.9°	120.1°
C18	C19	C20	120.3°	120.4°
C19	C18	C17	120.3°	120.4°
C19	C18	H10	119.9°	119.8°
C18	C19	H11	119.9°	119.8°
C19	C20	C21	120.8°	119.9°
C20	C19	H11	119.8°	119.9°
C19	C20	H12	119.7°	120.1°
C18	C17	C16	121.0°	120.1°
C18	C17	H9	119.5°	120.0°
C17	C18	H10	119.9°	119.8°
C05	C06	C07	119.6°	119.8°
C06	C05	C10	119.7°	119.9°
C06	C05	H3	120.1°	120.0°
C06	C07	C08	120.6°	119.9°
C06	C07	H4	119.7°	120.0°
C05	C10	C09	120.8°	120.1°
C10	C05	H3	120.1°	120.1°
C05	C10	H6	119.6°	119.9°
C20	C21	C16	119.1°	119.6°
C20	C21	C22	118.9°	120.2°
C21	C20	H12	119.6°	120.0°
C07	C08	C09	120.5°	120.1°
C08	C07	H4	119.7°	120.1°
C07	C08	H5	119.7°	119.9°
C17	C16	C21	118.6°	119.6°
C17	C16	N04	121.5°	120.2°
C16	C17	H9	119.5°	120.0°
C10	C09	C08	118.8°	120.2°
C10	C09	N01	122.5°	119.9°
C09	C10	H6	119.6°	120.0°
C16	C21	C22	121.9°	120.2°
C21	C16	N04	119.8°	120.2°
C21	C22	O24	120.1°	120.0°
C21	C22	O23	120.2°	120.0°
C16	N04	C13	127.2°	120.0°
C16	N04	H2	116.4°	120.0°
C08	C09	N01	118.7°	119.9°
C09	C08	H5	119.8°	120.0°
O24	C22	O23	119.8°	120.0°
C22	O23	H13	109.5°	117.0°
C09	N01	C12	128.3°	120.1°
C09	N01	H1	115.9°	120.0°
N04	C13	N02	121.0°	120.5°
N04	C13	C14	116.5°	120.5°
C13	N04	H2	116.4°	120.0°
C13	N02	C12	116.8°	120.6°
N02	C13	C14	122.5°	119.0°
N02	C12	N01	120.2°	119.2°
N02	C12	N03	124.3°	121.6°
N01	C12	N03	115.5°	119.2°
C12	N01	H1	115.9°	119.9°
C13	C14	C15	115.4°	118.5°
C13	C14	H7	122.3°	120.7°
C12	N03	C15	116.5°	120.9°
C14	C15	N03	124.4°	119.3°
C15	C14	H7	122.3°	120.8°
C14	C15	H8	117.8°	120.4°
N03	C15	H8	117.8°	120.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	C11	O26	C06	179.2°	180.0°
O25	C11	C06	C05	51.5°	0.0°
O25	C11	C06	C07	128.2°	180.0°
O25	C11	O26	H14	0.0°	0.0°
O26	C11	C06	C05	129.3°	180.0°
O26	C11	C06	C07	51.0°	0.0°
C11	C06	C05	C07	179.6°	180.0°
C11	C06	C05	C10	179.4°	180.0°
C11	C06	C07	C08	179.5°	180.0°
C11	C06	C05	H3	0.6°	0.3°
C11	C06	C07	H4	0.6°	0.0°
C06	C11	O26	H14	179.2°	179.9°
C18	C19	C20	H11	180.0°	180.0°
C19	C18	C17	H10	180.0°	179.9°
C18	C19	C20	C21	0.2°	0.3°
C19	C18	C17	C16	0.1°	0.0°
C19	C18	C17	H9	179.9°	180.0°
C18	C19	C20	H12	179.8°	180.0°
C20	C19	C18	C17	0.1°	0.0°
C19	C20	C21	H12	180.0°	179.7°
C19	C20	C21	C16	0.1°	0.6°
C19	C20	C21	C22	179.9°	180.0°
C20	C19	C18	H10	179.9°	179.9°
C18	C17	C16	H9	180.0°	180.0°
C18	C17	C16	C21	0.2°	0.3°
C18	C17	C16	N04	179.9°	180.0°
C17	C18	C19	H11	179.9°	180.0°
C06	C05	C10	H3	180.0°	179.7°
C05	C06	C07	C08	0.2°	0.0°
C06	C05	C10	C09	0.2°	0.1°
C05	C06	C07	H4	179.8°	180.0°
C06	C05	C10	H6	179.8°	179.7°
C07	C06	C05	C10	0.3°	0.0°
C06	C07	C08	H4	180.0°	180.0°
C06	C07	C08	C09	0.0°	0.0°
C07	C06	C05	H3	179.7°	179.7°
C06	C07	C08	H5	180.0°	180.0°
C05	C10	C09	H6	180.0°	179.8°
C05	C10	C09	C08	0.0°	0.1°
C05	C10	C09	N01	178.6°	180.0°
C20	C21	C16	C17	0.1°	0.6°
C20	C21	C16	C22	179.8°	179.4°
C20	C21	C16	N04	179.8°	179.7°
C20	C21	C22	O24	68.7°	175.4°
C20	C21	C22	O23	110.5°	4.6°
C21	C20	C19	H11	179.8°	179.7°
C07	C08	C09	C10	0.1°	0.1°
C07	C08	C09	H5	180.0°	180.0°
C07	C08	C09	N01	178.6°	180.0°
C17	C16	C21	N04	179.7°	179.8°
C17	C16	C21	C22	179.7°	180.0°
C17	C16	N04	C13	43.1°	101.5°
C17	C16	N04	H2	136.9°	78.5°
C16	C17	C18	H10	179.9°	179.9°
C10	C09	C08	N01	178.7°	179.9°
C10	C09	N01	C12	57.2°	33.8°
C10	C09	N01	H1	122.9°	145.9°
C09	C10	C05	H3	179.8°	179.7°
C10	C09	C08	H5	179.9°	180.0°
C16	C21	C22	O24	111.5°	4.0°
C16	C21	C22	O23	69.3°	176.0°
C21	C16	N04	C13	137.2°	78.3°
C21	C16	N04	H2	42.8°	101.8°
C21	C16	C17	H9	179.8°	179.7°
C16	C21	C20	H12	179.9°	179.7°
C22	C21	C16	N04	0.0°	0.2°
C21	C22	O24	O23	179.2°	180.0°
C22	C21	C20	H12	0.1°	0.3°
C21	C22	O23	H13	179.2°	180.0°
C16	N04	C13	H2	180.0°	180.0°
C16	N04	C13	N02	7.2°	174.6°
C16	N04	C13	C14	172.8°	5.5°
N04	C16	C17	H9	0.1°	0.0°
C08	C09	N01	C12	124.2°	146.1°
C08	C09	N01	H1	55.8°	34.2°
C09	C08	C07	H4	180.0°	179.9°
C08	C09	C10	H6	180.0°	179.7°
O24	C22	O23	H13	0.0°	0.1°
C09	N01	C12	N02	34.7°	175.3°
C09	N01	C12	H1	180.0°	179.7°
C09	N01	C12	N03	145.9°	4.7°
N01	C09	C08	H5	1.4°	0.1°
N01	C09	C10	H6	1.3°	0.2°
N04	C13	N02	C14	179.9°	179.9°
N04	C13	N02	C12	179.8°	180.0°
N04	C13	C14	C15	180.0°	180.0°
N04	C13	C14	H7	0.1°	0.1°
C13	N02	C12	N01	179.7°	180.0°
C13	N02	C12	N03	0.2°	0.1°
N02	C13	C14	C15	0.0°	0.1°
N02	C13	N04	H2	172.8°	5.4°
N02	C13	C14	H7	180.0°	180.0°
N02	C12	N01	N03	179.5°	180.0°
C12	N02	C13	C14	0.1°	0.1°
N02	C12	N03	C15	0.1°	0.1°
N02	C12	N01	H1	145.4°	4.4°
N01	C12	N03	C15	179.6°	180.0°
C13	C14	C15	H7	180.0°	179.9°
C13	C14	C15	N03	0.1°	0.1°
C14	C13	N04	H2	7.2°	174.5°
C13	C14	C15	H8	179.9°	180.0°
C12	N03	C15	C14	0.1°	0.1°
N03	C12	N01	H1	34.1°	175.6°
C12	N03	C15	H8	180.0°	180.0°
C14	C15	N03	H8	180.0°	179.9°
N03	C15	C14	H7	179.9°	180.0°
H3	C05	C10	H6	0.2°	0.0°
H4	C07	C08	H5	0.0°	0.0°
H7	C14	C15	H8	0.1°	0.1°
H9	C17	C18	H10	0.1°	0.1°
H10	C18	C19	H11	0.1°	0.1°
H11	C19	C20	H12	0.2°	0.0°

Definition date:	2011-12-02
Last modified:	2012-01-20
Release status:	REL
Processing site:	RCSB
Derived from:	3UP7