0C6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C05	C06	doub	1.38Å	1.39Å	Aromatic
C05	C04	sing	1.38Å	1.39Å	Aromatic
C06	C07	sing	1.39Å	1.39Å	Aromatic
C04	C03	doub	1.38Å	1.39Å	Aromatic
C07	N08	sing	1.40Å	1.45Å
C07	C02	doub	1.39Å	1.40Å	Aromatic
C03	C02	sing	1.38Å	1.38Å	Aromatic
N08	C09	sing	1.39Å	1.44Å
C02	CL1	sing	1.74Å	1.70Å
F11	C10	sing	1.35Å	1.36Å
C09	C10	doub	1.40Å	1.41Å	Aromatic
C09	N25	sing	1.33Å	1.34Å	Aromatic
C10	C12	sing	1.38Å	1.40Å	Aromatic
O22	C20	doub	1.22Å	1.27Å
N25	C14	doub	1.32Å	1.36Å	Aromatic
C18	C17	doub	1.38Å	1.39Å	Aromatic
C18	C19	sing	1.40Å	1.39Å	Aromatic
C17	C16	sing	1.39Å	1.40Å	Aromatic
C20	C19	sing	1.47Å	1.51Å
C20	O21	sing	1.35Å	1.25Å
C12	N13	doub	1.33Å	1.35Å	Aromatic
C19	C23	doub	1.40Å	1.40Å	Aromatic
C14	N13	sing	1.32Å	1.33Å	Aromatic
C14	N15	sing	1.39Å	1.43Å
C16	N15	sing	1.39Å	1.50Å
C16	C24	doub	1.39Å	1.39Å	Aromatic
C23	C24	sing	1.38Å	1.39Å	Aromatic
C03	H1	sing	1.08Å	1.08Å
C04	H2	sing	1.08Å	1.08Å
C05	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
N08	H5	sing	0.97Å	1.00Å
C12	H6	sing	1.08Å	1.08Å
N15	H7	sing	0.97Å	1.00Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
O21	H10	sing	0.97Å	0.95Å
C23	H11	sing	1.08Å	1.08Å
C24	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C05	C04	120.7°	120.1°
C05	C06	C07	120.0°	119.9°
C06	C05	H3	119.6°	120.0°
C05	C06	H4	120.0°	120.0°
C05	C04	C03	119.6°	120.2°
C05	C04	H2	120.2°	119.9°
C04	C05	H3	119.7°	119.9°
C06	C07	N08	118.9°	120.1°
C06	C07	C02	119.0°	119.9°
C07	C06	H4	120.0°	120.0°
C04	C03	C02	119.5°	120.0°
C04	C03	H1	120.3°	120.0°
C03	C04	H2	120.2°	119.9°
N08	C07	C02	122.1°	120.0°
C07	N08	C09	124.3°	120.0°
C07	N08	H5	117.9°	120.0°
C07	C02	C03	121.1°	119.9°
C07	C02	CL1	121.9°	120.1°
C03	C02	CL1	117.0°	120.0°
C02	C03	H1	120.2°	119.9°
N08	C09	C10	119.1°	120.5°
N08	C09	N25	121.5°	120.5°
C09	N08	H5	117.8°	120.0°
F11	C10	C09	121.4°	120.7°
F11	C10	C12	120.4°	120.8°
C10	C09	N25	119.4°	119.0°
C09	C10	C12	118.2°	118.5°
C09	N25	C14	119.9°	120.6°
C10	C12	N13	120.1°	119.2°
C10	C12	H6	120.0°	120.4°
O22	C20	C19	122.3°	120.0°
O22	C20	O21	119.2°	120.0°
N25	C14	N13	122.9°	121.7°
N25	C14	N15	121.4°	119.2°
C17	C18	C19	119.6°	119.9°
C18	C17	C16	120.7°	120.1°
C18	C17	H8	119.6°	119.9°
C17	C18	H9	120.2°	120.1°
C18	C19	C20	121.3°	120.1°
C18	C19	C23	119.6°	119.9°
C19	C18	H9	120.2°	120.0°
C17	C16	N15	121.6°	119.9°
C17	C16	C24	119.5°	120.1°
C16	C17	H8	119.6°	120.0°
C19	C20	O21	118.4°	120.0°
C20	C19	C23	119.1°	120.1°
C20	O21	H10	109.5°	117.0°
C12	N13	C14	119.5°	121.0°
N13	C12	H6	119.9°	120.4°
C19	C23	C24	120.8°	119.9°
C19	C23	H11	119.6°	120.0°
N13	C14	N15	115.7°	119.1°
C14	N15	C16	122.5°	120.1°
C14	N15	H7	118.7°	120.0°
N15	C16	C24	118.9°	119.9°
C16	N15	H7	118.8°	120.0°
C16	C24	C23	119.7°	120.1°
C16	C24	H12	120.1°	120.0°
C24	C23	H11	119.6°	120.1°
C23	C24	H12	120.2°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C05	C04	H3	180.0°	179.8°
C05	C06	C07	H4	180.0°	179.7°
C06	C05	C04	C03	0.0°	0.0°
C05	C06	C07	N08	179.7°	180.0°
C05	C06	C07	C02	0.9°	0.6°
C06	C05	C04	H2	180.0°	180.0°
C04	C05	C06	C07	0.3°	0.3°
C05	C04	C03	H2	180.0°	179.9°
C05	C04	C03	C02	0.4°	0.0°
C05	C04	C03	H1	179.6°	180.0°
C04	C05	C06	H4	179.7°	180.0°
C06	C07	N08	C02	178.7°	179.4°
C06	C07	C02	C03	1.3°	0.6°
C06	C07	N08	C09	82.8°	19.5°
C06	C07	C02	CL1	179.4°	179.7°
C07	C06	C05	H3	179.7°	180.0°
C06	C07	N08	H5	97.2°	160.4°
C04	C03	C02	C07	1.0°	0.3°
C04	C03	C02	H1	180.0°	180.0°
C04	C03	C02	CL1	179.3°	180.0°
C03	C04	C05	H3	180.0°	179.7°
N08	C07	C02	C03	180.0°	180.0°
C07	N08	C09	H5	180.0°	179.9°
N08	C07	C02	CL1	1.8°	0.3°
C07	N08	C09	C10	162.4°	173.9°
C07	N08	C09	N25	16.8°	6.5°
N08	C07	C06	H4	0.4°	0.3°
C07	C02	C03	CL1	178.2°	179.7°
C02	C07	N08	C09	98.5°	159.9°
C07	C02	C03	H1	178.9°	179.7°
C02	C07	C06	H4	179.1°	179.7°
C02	C07	N08	H5	81.5°	20.2°
C02	C03	C04	H2	179.6°	179.9°
N08	C09	C10	F11	0.3°	0.1°
N08	C09	C10	N25	179.3°	179.7°
N08	C09	C10	C12	179.9°	180.0°
N08	C09	N25	C14	179.4°	179.8°
CL1	C02	C03	H1	0.7°	0.0°
F11	C10	C09	C12	179.6°	179.9°
F11	C10	C09	N25	179.0°	179.8°
F11	C10	C12	N13	179.4°	180.0°
F11	C10	C12	H6	0.6°	0.0°
C10	C09	N25	C14	1.3°	0.6°
C09	C10	C12	N13	0.2°	0.1°
C10	C09	N08	H5	17.6°	6.0°
C09	C10	C12	H6	179.9°	180.0°
N25	C09	C10	C12	0.6°	0.3°
C09	N25	C14	N13	1.6°	0.6°
C09	N25	C14	N15	179.1°	179.8°
N25	C09	N08	H5	163.2°	173.6°
C10	C12	N13	H6	180.0°	180.0°
C10	C12	N13	C14	0.4°	0.0°
O22	C20	C19	C18	10.6°	0.0°
O22	C20	C19	O21	177.1°	180.0°
O22	C20	C19	C23	171.6°	180.0°
O22	C20	O21	H10	0.0°	0.0°
N25	C14	N13	C12	1.1°	0.3°
N25	C14	N13	N15	179.4°	179.7°
N25	C14	N15	C16	20.2°	174.8°
N25	C14	N15	H7	159.8°	5.3°
C17	C18	C19	H9	180.0°	180.0°
C18	C17	C16	H8	180.0°	180.0°
C17	C18	C19	C20	178.6°	180.0°
C17	C18	C19	C23	0.7°	0.0°
C18	C17	C16	N15	179.8°	180.0°
C18	C17	C16	C24	0.5°	0.3°
C19	C18	C17	C16	0.5°	0.0°
C18	C19	C20	C23	177.9°	180.0°
C18	C19	C20	O21	166.5°	180.0°
C18	C19	C23	C24	1.1°	0.2°
C19	C18	C17	H8	179.5°	180.0°
C18	C19	C23	H11	178.9°	180.0°
C17	C16	N15	C14	12.1°	143.4°
C17	C16	N15	C24	179.3°	179.7°
C17	C16	C24	C23	0.8°	0.6°
C17	C16	N15	H7	167.9°	36.6°
C16	C17	C18	H9	179.5°	179.9°
C17	C16	C24	H12	179.2°	179.7°
C20	C19	C23	C24	179.0°	179.7°
C20	C19	C18	H9	1.4°	0.1°
C19	C20	O21	H10	177.2°	180.0°
C20	C19	C23	H11	1.0°	0.1°
O21	C20	C19	C23	11.4°	0.0°
C12	N13	C14	N15	179.5°	179.9°
C19	C23	C24	C16	1.1°	0.6°
C19	C23	C24	H11	180.0°	179.8°
C23	C19	C18	H9	179.3°	180.0°
C19	C23	C24	H12	178.9°	179.8°
N13	C14	N15	C16	160.4°	4.9°
C14	N13	C12	H6	179.6°	180.0°
N13	C14	N15	H7	19.6°	175.1°
C14	N15	C16	H7	180.0°	180.0°
C14	N15	C16	C24	168.6°	36.3°
N15	C16	C24	C23	179.9°	179.7°
N15	C16	C17	H8	0.2°	0.0°
N15	C16	C24	H12	0.1°	0.1°
C16	C24	C23	H12	180.0°	179.7°
C24	C16	N15	H7	11.4°	143.8°
C24	C16	C17	H8	179.5°	179.7°
C16	C24	C23	H11	178.9°	179.7°
H1	C03	C04	H2	0.4°	0.0°
H2	C04	C05	H3	0.0°	0.2°
H3	C05	C06	H4	0.2°	0.2°
H8	C17	C18	H9	0.4°	0.0°
H11	C23	C24	H12	1.1°	0.0°

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