0BZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C08	C07	doub	1.38Å	1.39Å	Aromatic
C08	C09	sing	1.39Å	1.39Å	Aromatic
N01	C09	sing	1.39Å	1.43Å
N01	C12	sing	1.39Å	1.43Å
C07	C06	sing	1.40Å	1.39Å	Aromatic
N03	C12	doub	1.32Å	1.34Å	Aromatic
N03	C15	sing	1.32Å	1.34Å	Aromatic
C09	C10	doub	1.39Å	1.39Å	Aromatic
O26	C11	doub	1.22Å	1.26Å
C12	N02	sing	1.32Å	1.34Å	Aromatic
C06	C11	sing	1.47Å	1.49Å
C06	C05	doub	1.40Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C10	C05	sing	1.38Å	1.39Å	Aromatic
C11	O25	sing	1.35Å	1.26Å
N02	C13	doub	1.33Å	1.35Å	Aromatic
C14	C13	sing	1.40Å	1.39Å	Aromatic
C13	N04	sing	1.39Å	1.43Å
F24	C21	sing	1.35Å	1.33Å
C21	C20	doub	1.38Å	1.39Å	Aromatic
C21	C16	sing	1.39Å	1.39Å	Aromatic
N04	C16	sing	1.40Å	1.43Å
C20	C19	sing	1.38Å	1.39Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C19	C18	doub	1.38Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.39Å	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
O25	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C07	C08	C09	120.4°	120.1°
C08	C07	C06	119.7°	119.9°
C08	C07	H4	120.1°	120.0°
C07	C08	H5	119.8°	120.0°
C08	C09	N01	118.4°	119.9°
C08	C09	C10	119.8°	120.2°
C09	C08	H5	119.8°	120.0°
C09	N01	C12	125.6°	120.0°
N01	C09	C10	121.7°	119.9°
C09	N01	H1	117.2°	120.1°
N01	C12	N03	117.7°	119.2°
N01	C12	N02	120.5°	119.1°
C12	N01	H1	117.2°	120.0°
C07	C06	C11	119.3°	120.1°
C07	C06	C05	120.1°	119.9°
C06	C07	H4	120.1°	120.0°
C12	N03	C15	120.7°	120.9°
N03	C12	N02	121.8°	121.7°
N03	C15	C14	118.5°	119.3°
N03	C15	H8	120.8°	120.4°
C09	C10	C05	119.9°	120.0°
C09	C10	H6	120.0°	119.9°
O26	C11	C06	119.8°	120.0°
O26	C11	O25	120.5°	120.0°
C12	N02	C13	120.6°	120.6°
C11	C06	C05	120.6°	120.1°
C06	C11	O25	119.7°	120.0°
C06	C05	C10	120.0°	119.9°
C06	C05	H3	120.0°	120.1°
C15	C14	C13	119.9°	118.5°
C15	C14	H7	120.0°	120.8°
C14	C15	H8	120.7°	120.3°
C10	C05	H3	120.0°	120.0°
C05	C10	H6	120.0°	120.0°
C11	O25	H13	109.5°	117.0°
N02	C13	C14	118.5°	119.0°
N02	C13	N04	120.7°	120.5°
C14	C13	N04	120.8°	120.5°
C13	C14	H7	120.0°	120.7°
C13	N04	C16	120.0°	120.0°
C13	N04	H2	120.0°	120.1°
F24	C21	C20	119.8°	120.0°
F24	C21	C16	120.0°	120.1°
C20	C21	C16	120.1°	119.9°
C21	C20	C19	119.9°	120.0°
C21	C20	H12	120.0°	120.0°
C21	C16	N04	120.0°	120.1°
C21	C16	C17	120.0°	119.9°
N04	C16	C17	119.9°	120.1°
C16	N04	H2	120.0°	120.0°
C20	C19	C18	119.9°	120.2°
C20	C19	H11	120.1°	119.9°
C19	C20	H12	120.0°	120.0°
C16	C17	C18	119.9°	120.0°
C16	C17	H9	120.0°	120.1°
C19	C18	C17	120.1°	120.1°
C19	C18	H10	120.0°	120.0°
C18	C19	H11	120.0°	119.9°
C18	C17	H9	120.0°	120.0°
C17	C18	H10	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C07	C08	C09	H5	180.0°	179.9°
C07	C08	C09	N01	179.2°	180.0°
C08	C07	C06	H4	180.0°	179.9°
C07	C08	C09	C10	0.7°	0.3°
C08	C07	C06	C11	179.7°	180.0°
C08	C07	C06	C05	0.1°	0.1°
C08	C09	N01	C10	178.5°	179.7°
C08	C09	N01	C12	153.9°	146.2°
C09	C08	C07	C06	0.5°	0.0°
C08	C09	C10	C05	0.4°	0.5°
C08	C09	N01	H1	26.2°	33.5°
C09	C08	C07	H4	179.5°	180.0°
C08	C09	C10	H6	179.6°	179.7°
C09	N01	C12	H1	180.0°	179.7°
C09	N01	C12	N03	172.2°	5.2°
C09	N01	C12	N02	8.3°	174.8°
N01	C09	C10	C05	178.9°	179.8°
N01	C09	C08	H5	0.8°	0.1°
N01	C09	C10	H6	1.1°	0.0°
N01	C12	N03	N02	179.5°	179.9°
N01	C12	N03	C15	180.0°	180.0°
C12	N01	C09	C10	27.6°	34.1°
N01	C12	N02	C13	180.0°	180.0°
C07	C06	C11	O26	56.0°	180.0°
C07	C06	C11	C05	179.7°	179.9°
C07	C06	C05	C10	0.2°	0.2°
C07	C06	C11	O25	123.5°	0.1°
C07	C06	C05	H3	179.8°	180.0°
C06	C07	C08	H5	179.6°	179.9°
C12	N03	C15	C14	0.2°	0.0°
N03	C12	N02	C13	0.4°	0.0°
N03	C12	N01	H1	7.9°	174.5°
C12	N03	C15	H8	179.8°	180.0°
C15	N03	C12	N02	0.4°	0.1°
N03	C15	C14	H8	180.0°	179.9°
N03	C15	C14	C13	0.0°	0.0°
N03	C15	C14	H7	180.0°	180.0°
C09	C10	C05	C06	0.0°	0.5°
C09	C10	C05	H6	180.0°	179.7°
C10	C09	N01	H1	152.4°	146.2°
C09	C10	C05	H3	180.0°	179.7°
C10	C09	C08	H5	179.4°	179.8°
O26	C11	C06	O25	179.6°	179.9°
O26	C11	C06	C05	124.3°	0.1°
O26	C11	O25	H13	0.0°	0.1°
C12	N02	C13	C14	0.2°	0.0°
C12	N02	C13	N04	179.6°	180.0°
N02	C12	N01	H1	171.7°	5.5°
C11	C06	C05	C10	179.5°	179.7°
C11	C06	C05	H3	0.5°	0.0°
C11	C06	C07	H4	0.3°	0.1°
C06	C11	O25	H13	179.6°	180.0°
C06	C05	C10	H3	180.0°	179.8°
C05	C06	C11	O25	56.1°	180.0°
C05	C06	C07	H4	179.9°	180.0°
C06	C05	C10	H6	180.0°	179.8°
C15	C14	C13	N02	0.0°	0.1°
C15	C14	C13	H7	180.0°	180.0°
C15	C14	C13	N04	179.8°	179.9°
N02	C13	C14	N04	179.8°	180.0°
N02	C13	N04	C16	27.7°	6.5°
N02	C13	N04	H2	152.3°	173.6°
N02	C13	C14	H7	180.0°	180.0°
C14	C13	N04	C16	152.5°	173.5°
C14	C13	N04	H2	27.5°	6.5°
C13	C14	C15	H8	180.0°	179.9°
C13	N04	C16	C21	94.3°	160.2°
C13	N04	C16	H2	180.0°	180.0°
C13	N04	C16	C17	85.5°	19.6°
N04	C13	C14	H7	0.2°	0.0°
F24	C21	C20	C16	180.0°	179.4°
F24	C21	C16	N04	0.0°	0.3°
F24	C21	C20	C19	179.9°	180.0°
F24	C21	C16	C17	179.8°	179.9°
F24	C21	C20	H12	0.1°	0.4°
C20	C21	C16	N04	180.0°	179.7°
C21	C20	C19	H12	180.0°	179.7°
C20	C21	C16	C17	0.2°	0.5°
C21	C20	C19	C18	0.1°	0.3°
C21	C20	C19	H11	179.9°	179.7°
C21	C16	N04	C17	179.8°	179.8°
C16	C21	C20	C19	0.1°	0.6°
C21	C16	C17	C18	0.3°	0.2°
C21	C16	N04	H2	85.7°	19.8°
C21	C16	C17	H9	179.7°	179.8°
C16	C21	C20	H12	179.9°	179.7°
N04	C16	C17	C18	179.9°	180.0°
N04	C16	C17	H9	0.1°	0.0°
C20	C19	C18	H11	180.0°	180.0°
C20	C19	C18	C17	0.1°	0.1°
C20	C19	C18	H10	179.9°	179.9°
C16	C17	C18	C19	0.2°	0.1°
C16	C17	C18	H9	180.0°	180.0°
C17	C16	N04	H2	94.5°	160.4°
C16	C17	C18	H10	179.7°	180.0°
C19	C18	C17	H10	180.0°	179.9°
C19	C18	C17	H9	179.8°	179.9°
C18	C19	C20	H12	179.9°	179.9°
C17	C18	C19	H11	179.9°	179.9°
H3	C05	C10	H6	0.0°	0.0°
H4	C07	C08	H5	0.4°	0.0°
H7	C14	C15	H8	0.0°	0.1°
H9	C17	C18	H10	0.3°	0.1°
H10	C18	C19	H11	0.1°	0.1°
H11	C19	C20	H12	0.1°	0.0°

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