0BY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O25	C11	doub	1.22Å	1.26Å
O26	C11	sing	1.35Å	1.27Å
C11	C06	sing	1.47Å	1.50Å
C06	C05	doub	1.40Å	1.40Å	Aromatic
C06	C07	sing	1.40Å	1.38Å	Aromatic
C05	C10	sing	1.38Å	1.40Å	Aromatic
C07	C08	doub	1.38Å	1.38Å	Aromatic
C10	C09	doub	1.39Å	1.40Å	Aromatic
C08	C09	sing	1.39Å	1.39Å	Aromatic
CL2	C21	sing	1.74Å	1.72Å
C09	N01	sing	1.39Å	1.44Å
N04	C16	sing	1.40Å	1.44Å
N04	C13	sing	1.39Å	1.43Å
C21	C16	doub	1.39Å	1.39Å	Aromatic
C21	C20	sing	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.39Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.38Å	Aromatic
N02	C13	doub	1.33Å	1.35Å	Aromatic
N02	C12	sing	1.32Å	1.34Å	Aromatic
C13	C14	sing	1.40Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
N01	C12	sing	1.39Å	1.43Å
C19	C18	sing	1.38Å	1.39Å	Aromatic
C12	N03	doub	1.32Å	1.33Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
N03	C15	sing	1.33Å	1.34Å	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
O26	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O25	C11	O26	120.1°	120.0°
O25	C11	C06	120.2°	120.0°
O26	C11	C06	119.7°	120.0°
C11	O26	H13	109.5°	117.0°
C11	C06	C05	123.3°	120.1°
C11	C06	C07	116.8°	120.1°
C05	C06	C07	119.9°	119.8°
C06	C05	C10	119.9°	120.0°
C06	C05	H3	120.1°	120.0°
C06	C07	C08	120.3°	119.9°
C06	C07	H4	119.8°	120.0°
C05	C10	C09	119.4°	120.1°
C10	C05	H3	120.1°	120.0°
C05	C10	H6	120.3°	120.0°
C07	C08	C09	120.9°	120.1°
C08	C07	H4	119.9°	120.0°
C07	C08	H5	119.6°	120.0°
C10	C09	C08	119.6°	120.1°
C10	C09	N01	124.5°	120.0°
C09	C10	H6	120.3°	119.9°
C08	C09	N01	115.8°	119.9°
C09	C08	H5	119.5°	119.9°
CL2	C21	C16	119.4°	120.0°
CL2	C21	C20	119.3°	120.0°
C09	N01	C12	124.7°	120.0°
C09	N01	H1	117.7°	119.9°
C16	N04	C13	122.3°	120.1°
N04	C16	C21	120.0°	120.1°
N04	C16	C17	120.7°	120.1°
C16	N04	H2	118.9°	120.0°
N04	C13	N02	121.0°	120.4°
N04	C13	C14	121.3°	120.5°
C13	N04	H2	118.8°	120.0°
C16	C21	C20	121.3°	119.9°
C21	C16	C17	119.3°	119.8°
C21	C20	C19	119.1°	120.1°
C21	C20	H12	120.4°	119.9°
C16	C17	C18	119.2°	120.0°
C16	C17	H9	120.4°	120.0°
C20	C19	C18	119.8°	120.2°
C20	C19	H11	120.1°	119.9°
C19	C20	H12	120.5°	120.0°
C13	N02	C12	121.0°	120.6°
N02	C13	C14	117.7°	119.0°
N02	C12	N01	120.8°	119.2°
N02	C12	N03	121.8°	121.7°
C13	C14	C15	120.4°	118.5°
C13	C14	H7	119.8°	120.7°
C17	C18	C19	121.2°	120.0°
C18	C17	H9	120.4°	120.0°
C17	C18	H10	119.4°	120.0°
N01	C12	N03	117.4°	119.2°
C12	N01	H1	117.7°	120.0°
C19	C18	H10	119.4°	120.0°
C18	C19	H11	120.1°	119.9°
C12	N03	C15	120.8°	120.9°
C14	C15	N03	118.3°	119.3°
C15	C14	H7	119.8°	120.8°
C14	C15	H8	120.8°	120.4°
N03	C15	H8	120.8°	120.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O25	C11	O26	C06	179.1°	180.0°
O25	C11	C06	C05	14.2°	0.0°
O25	C11	C06	C07	166.7°	180.0°
O25	C11	O26	H13	0.0°	0.0°
O26	C11	C06	C05	164.9°	180.0°
O26	C11	C06	C07	14.2°	0.0°
C11	C06	C05	C07	179.1°	180.0°
C11	C06	C05	C10	179.6°	180.0°
C11	C06	C07	C08	179.8°	179.9°
C11	C06	C05	H3	0.4°	0.2°
C11	C06	C07	H4	0.2°	0.0°
C06	C11	O26	H13	179.1°	180.0°
C06	C05	C10	H3	180.0°	179.8°
C05	C06	C07	C08	0.7°	0.1°
C06	C05	C10	C09	1.2°	0.1°
C05	C06	C07	H4	179.3°	179.9°
C06	C05	C10	H6	178.8°	179.7°
C07	C06	C05	C10	1.4°	0.1°
C06	C07	C08	H4	180.0°	179.9°
C06	C07	C08	C09	0.2°	0.2°
C07	C06	C05	H3	178.6°	179.8°
C06	C07	C08	H5	179.8°	180.0°
C05	C10	C09	H6	180.0°	179.7°
C05	C10	C09	C08	0.4°	0.1°
C05	C10	C09	N01	178.7°	179.9°
C07	C08	C09	C10	0.3°	0.2°
C07	C08	C09	H5	180.0°	179.8°
C07	C08	C09	N01	179.5°	179.9°
C10	C09	C08	N01	179.2°	179.9°
C10	C09	N01	C12	17.8°	34.0°
C10	C09	N01	H1	162.2°	145.7°
C09	C10	C05	H3	178.8°	179.8°
C10	C09	C08	H5	179.7°	180.0°
C08	C09	N01	C12	163.1°	145.9°
C08	C09	N01	H1	16.9°	34.4°
C09	C08	C07	H4	179.9°	179.9°
C08	C09	C10	H6	179.6°	179.6°
CL2	C21	C16	N04	0.9°	0.0°
CL2	C21	C16	C20	180.0°	179.7°
CL2	C21	C16	C17	179.2°	179.8°
CL2	C21	C20	C19	179.9°	179.7°
CL2	C21	C20	H12	0.1°	0.0°
C09	N01	C12	N02	7.1°	174.6°
C09	N01	C12	H1	180.0°	179.7°
C09	N01	C12	N03	173.0°	5.4°
N01	C09	C08	H5	0.5°	0.2°
N01	C09	C10	H6	1.3°	0.3°
C16	N04	C13	H2	180.0°	180.0°
N04	C16	C21	C17	178.3°	179.7°
N04	C16	C21	C20	179.0°	179.7°
C16	N04	C13	N02	175.4°	6.6°
C16	N04	C13	C14	4.7°	173.5°
N04	C16	C17	C18	179.6°	180.0°
N04	C16	C17	H9	0.4°	0.0°
C13	N04	C16	C21	126.6°	160.1°
C13	N04	C16	C17	55.2°	19.6°
N04	C13	N02	C14	180.0°	179.9°
N04	C13	N02	C12	179.9°	180.0°
N04	C13	C14	C15	180.0°	179.9°
N04	C13	C14	H7	0.0°	0.0°
C16	C21	C20	C19	0.0°	0.6°
C21	C16	C17	C18	1.3°	0.3°
C21	C16	N04	H2	53.4°	19.9°
C21	C16	C17	H9	178.7°	179.7°
C16	C21	C20	H12	180.0°	179.7°
C20	C21	C16	C17	0.7°	0.6°
C21	C20	C19	H12	180.0°	179.7°
C21	C20	C19	C18	0.1°	0.3°
C21	C20	C19	H11	179.9°	179.7°
C16	C17	C18	H9	180.0°	180.0°
C16	C17	C18	C19	1.2°	0.0°
C17	C16	N04	H2	124.8°	160.4°
C16	C17	C18	H10	178.8°	180.0°
C20	C19	C18	C17	0.5°	0.0°
C20	C19	C18	H11	180.0°	180.0°
C20	C19	C18	H10	179.5°	180.0°
C13	N02	C12	N01	179.8°	180.0°
C13	N02	C12	N03	0.0°	0.0°
N02	C13	C14	C15	0.0°	0.0°
N02	C13	N04	H2	4.6°	173.4°
N02	C13	C14	H7	180.0°	180.0°
C12	N02	C13	C14	0.1°	0.0°
N02	C12	N01	N03	179.8°	180.0°
N02	C12	N03	C15	0.1°	0.0°
N02	C12	N01	H1	172.9°	5.1°
C13	C14	C15	H7	180.0°	180.0°
C13	C14	C15	N03	0.1°	0.0°
C14	C13	N04	H2	175.4°	6.5°
C13	C14	C15	H8	179.9°	180.0°
C17	C18	C19	H10	180.0°	180.0°
C17	C18	C19	H11	179.5°	180.0°
N01	C12	N03	C15	179.9°	180.0°
C19	C18	C17	H9	178.7°	180.0°
C18	C19	C20	H12	179.9°	180.0°
C12	N03	C15	C14	0.2°	0.0°
N03	C12	N01	H1	6.9°	174.8°
C12	N03	C15	H8	179.9°	180.0°
C14	C15	N03	H8	180.0°	179.9°
N03	C15	C14	H7	179.9°	180.0°
H3	C05	C10	H6	1.2°	0.1°
H4	C07	C08	H5	0.1°	0.1°
H7	C14	C15	H8	0.1°	0.1°
H9	C17	C18	H10	1.2°	0.0°
H10	C18	C19	H11	0.5°	0.0°
H11	C19	C20	H12	0.1°	0.0°

Definition date:	2011-11-29
Last modified:	2012-01-23
Release status:	REL
Processing site:	RCSB
Derived from:	3UNK