FQJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C14	sing	1.74Å	1.74Å
CL2	C8	sing	1.74Å	1.72Å
C11	C14	doub	1.38Å	1.38Å	Aromatic
C11	C8	sing	1.38Å	1.38Å	Aromatic
C14	C16	sing	1.39Å	1.38Å	Aromatic
C8	C7	doub	1.40Å	1.39Å	Aromatic
C16	C10	doub	1.38Å	1.38Å	Aromatic
C7	C10	sing	1.40Å	1.39Å	Aromatic
C7	C6	sing	1.48Å	1.51Å
O13	C6	doub	1.22Å	1.23Å
C6	N5	sing	1.35Å	1.36Å
N5	C1	sing	1.39Å	1.38Å
C1	C4	doub	1.36Å	1.36Å	Aromatic
C1	N2	sing	1.36Å	1.38Å	Aromatic
C4	C9	sing	1.40Å	1.40Å	Aromatic
N2	C12	sing	1.40Å	1.43Å
N2	N3	sing	1.40Å	1.39Å	Aromatic
C9	N3	doub	1.31Å	1.33Å	Aromatic
C9	C18	sing	1.51Å	1.49Å
C12	C20	doub	1.39Å	1.39Å	Aromatic
C12	C19	sing	1.39Å	1.39Å	Aromatic
C20	C21	sing	1.38Å	1.38Å	Aromatic
C21	C23	doub	1.38Å	1.37Å	Aromatic
C19	C22	doub	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.38Å	1.38Å	Aromatic
C4	H24	sing	1.08Å	1.08Å
C10	H26	sing	1.08Å	1.08Å
C20	H33	sing	1.08Å	1.08Å
C21	H34	sing	1.08Å	1.08Å
C22	H35	sing	1.08Å	1.08Å
N5	H25	sing	0.97Å	1.00Å
C11	H27	sing	1.08Å	1.08Å
C16	H28	sing	1.08Å	1.08Å
C18	H31	sing	1.09Å	1.10Å
C18	H30	sing	1.09Å	1.10Å
C18	H29	sing	1.09Å	1.10Å
C19	H32	sing	1.08Å	1.08Å
C23	H36	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C14	C11	119.1°	119.9°
CL1	C14	C16	119.7°	119.9°
CL2	C8	C11	118.0°	120.1°
CL2	C8	C7	120.4°	120.1°
C14	C11	C8	118.9°	120.1°
C11	C14	C16	121.3°	120.3°
C14	C11	H27	120.6°	119.9°
C11	C8	C7	121.6°	119.8°
C8	C11	H27	120.5°	119.9°
C14	C16	C10	119.3°	120.2°
C14	C16	H28	120.4°	119.9°
C8	C7	C10	117.9°	119.7°
C8	C7	C6	122.5°	120.2°
C16	C10	C7	121.0°	119.9°
C16	C10	H26	119.5°	120.1°
C10	C16	H28	120.3°	119.9°
C10	C7	C6	119.5°	120.1°
C7	C10	H26	119.5°	120.1°
C7	C6	O13	122.0°	120.0°
C7	C6	N5	116.0°	120.0°
O13	C6	N5	121.9°	120.0°
C6	N5	C1	120.3°	120.0°
C6	N5	H25	119.9°	120.0°
N5	C1	C4	129.7°	126.3°
N5	C1	N2	124.6°	126.3°
C1	N5	H25	119.8°	120.0°
C4	C1	N2	105.6°	107.4°
C1	C4	C9	107.3°	107.9°
C1	C4	H24	126.3°	126.1°
C1	N2	C12	130.1°	126.1°
C1	N2	N3	111.1°	107.8°
C4	C9	N3	111.3°	108.5°
C4	C9	C18	128.3°	125.8°
C9	C4	H24	126.3°	126.0°
C12	N2	N3	118.6°	126.1°
N2	C12	C20	120.2°	120.1°
N2	C12	C19	120.2°	120.0°
N2	N3	C9	104.6°	108.4°
N3	C9	C18	120.4°	125.8°
C9	C18	H31	109.5°	109.4°
C9	C18	H30	109.5°	109.5°
C9	C18	H29	109.5°	109.5°
C20	C12	C19	119.6°	119.9°
C12	C20	C21	119.8°	119.9°
C12	C20	H33	120.1°	120.1°
C12	C19	C22	119.5°	119.9°
C12	C19	H32	120.2°	120.1°
C20	C21	C23	120.4°	120.1°
C21	C20	H33	120.1°	120.0°
C20	C21	H34	119.8°	120.0°
C21	C23	C22	120.0°	120.1°
C23	C21	H34	119.8°	119.9°
C21	C23	H36	120.0°	120.0°
C19	C22	C23	120.5°	120.1°
C19	C22	H35	119.7°	119.9°
C22	C19	H32	120.2°	120.1°
C23	C22	H35	119.8°	120.0°
C22	C23	H36	120.0°	119.9°
H31	C18	H30	109.5°	109.5°
H31	C18	H29	109.4°	109.5°
H30	C18	H29	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C14	C11	C16	179.9°	179.7°
CL1	C14	C11	C8	178.9°	180.0°
CL1	C14	C16	C10	179.4°	179.8°
CL1	C14	C11	H27	1.1°	0.3°
CL1	C14	C16	H28	0.6°	0.3°
CL2	C8	C11	C14	175.8°	180.0°
CL2	C8	C11	C7	177.5°	180.0°
CL2	C8	C7	C10	175.6°	180.0°
CL2	C8	C7	C6	9.4°	0.3°
CL2	C8	C11	H27	4.2°	0.3°
C14	C11	C8	H27	180.0°	179.8°
C14	C11	C8	C7	1.7°	0.0°
C11	C14	C16	C10	0.5°	0.5°
C11	C14	C16	H28	179.5°	180.0°
C8	C11	C14	C16	1.0°	0.2°
C11	C8	C7	C10	1.9°	0.0°
C11	C8	C7	C6	173.2°	179.7°
C14	C16	C10	H28	180.0°	179.5°
C14	C16	C10	C7	0.7°	0.5°
C14	C16	C10	H26	179.4°	179.4°
C16	C14	C11	H27	179.0°	180.0°
C8	C7	C10	C16	1.4°	0.2°
C8	C7	C10	C6	175.2°	179.7°
C8	C7	C6	O13	47.3°	0.3°
C8	C7	C6	N5	135.9°	179.7°
C8	C7	C10	H26	178.7°	179.7°
C7	C8	C11	H27	178.3°	179.8°
C16	C10	C7	H26	180.0°	179.9°
C16	C10	C7	C6	173.9°	180.0°
C10	C7	C6	O13	127.6°	180.0°
C10	C7	C6	N5	49.2°	0.0°
C7	C10	C16	H28	179.3°	180.0°
C7	C6	O13	N5	176.6°	180.0°
C7	C6	N5	C1	171.9°	180.0°
C6	C7	C10	H26	6.1°	0.0°
C7	C6	N5	H25	8.1°	0.0°
O13	C6	N5	C1	4.9°	0.0°
O13	C6	N5	H25	175.1°	180.0°
C6	N5	C1	H25	180.0°	180.0°
C6	N5	C1	C4	88.3°	0.0°
C6	N5	C1	N2	95.9°	179.9°
N5	C1	C4	N2	176.4°	180.0°
N5	C1	C4	C9	176.5°	180.0°
N5	C1	N2	C12	2.3°	0.0°
N5	C1	N2	N3	176.9°	180.0°
N5	C1	C4	H24	3.5°	0.0°
C1	C4	C9	H24	180.0°	179.9°
C4	C1	N2	C12	174.4°	180.0°
C4	C1	N2	N3	0.3°	0.1°
C1	C4	C9	N3	0.2°	0.0°
C1	C4	C9	C18	179.9°	180.0°
C4	C1	N5	H25	91.7°	180.0°
N2	C1	C4	C9	0.1°	0.1°
C1	N2	C12	N3	174.3°	179.9°
C1	N2	N3	C9	0.4°	0.0°
C1	N2	C12	C20	36.4°	145.0°
C1	N2	C12	C19	144.5°	35.0°
N2	C1	C4	H24	179.9°	180.0°
N2	C1	N5	H25	84.0°	0.1°
C4	C9	N3	N2	0.3°	0.0°
C4	C9	N3	C18	179.9°	180.0°
C4	C9	C18	H31	179.9°	90.0°
C4	C9	C18	H30	60.1°	150.0°
C4	C9	C18	H29	59.9°	30.0°
C12	N2	N3	C9	175.0°	180.0°
N2	C12	C20	C19	179.2°	180.0°
N2	C12	C20	C21	178.9°	180.0°
N2	C12	C19	C22	179.7°	179.9°
N2	C12	C20	H33	1.1°	0.3°
N2	C12	C19	H32	0.3°	0.0°
N2	N3	C9	C18	179.8°	180.0°
N3	N2	C12	C20	137.9°	35.0°
N3	N2	C12	C19	41.2°	145.0°
N3	C9	C4	H24	179.9°	180.0°
N3	C9	C18	H31	0.0°	90.0°
N3	C9	C18	H30	120.0°	30.0°
N3	C9	C18	H29	120.0°	150.0°
C18	C9	C4	H24	0.0°	0.0°
C9	C18	H31	H30	120.0°	120.0°
C9	C18	H31	H29	120.0°	120.0°
C9	C18	H30	H29	120.0°	120.0°
C12	C20	C21	H33	180.0°	179.7°
C12	C20	C21	C23	1.6°	0.3°
C20	C12	C19	C22	0.5°	0.1°
C12	C20	C21	H34	178.4°	179.7°
C20	C12	C19	H32	179.5°	180.0°
C19	C12	C20	C21	1.9°	0.0°
C12	C19	C22	H32	180.0°	179.9°
C12	C19	C22	C23	1.2°	0.2°
C19	C12	C20	H33	178.1°	179.7°
C12	C19	C22	H35	178.8°	180.0°
C20	C21	C23	H34	180.0°	179.9°
C20	C21	C23	C22	0.1°	0.6°
C20	C21	C23	H36	179.9°	179.9°
C21	C23	C22	C19	1.5°	0.5°
C21	C23	C22	H36	180.0°	179.5°
C23	C21	C20	H33	178.4°	180.0°
C21	C23	C22	H35	178.5°	179.7°
C19	C22	C23	H35	180.0°	179.8°
C19	C22	C23	H36	178.5°	180.0°
C22	C23	C21	H34	179.9°	179.5°
C23	C22	C19	H32	178.8°	179.7°
H26	C10	C16	H28	0.6°	0.1°
H33	C20	C21	H34	1.6°	0.1°
H34	C21	C23	H36	0.1°	0.0°
H35	C22	C19	H32	1.2°	0.1°
H35	C22	C23	H36	1.5°	0.1°
H31	C18	H30	H29	119.9°	120.1°

Release date:	2018-05-02
Definition date:	2018-04-13
Last modified:	2018-04-27
Release status:	REL
Processing site:	RCSB
Derived from:	6D1Y