311

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C20	sing	1.53Å	1.57Å
C13	N22	sing	1.47Å	1.49Å
C18	C9	doub	1.38Å	1.36Å	Aromatic
C18	C14	sing	1.39Å	1.39Å	Aromatic
C18	F24	sing	1.35Å	1.29Å
C17	C19	sing	1.48Å	1.49Å
C17	C6	doub	1.39Å	1.37Å	Aromatic
C17	N21	sing	1.33Å	1.39Å	Aromatic
C16	C15	sing	1.48Å	1.51Å	Aromatic
C16	C5	sing	1.40Å	1.38Å	Aromatic
C16	N21	doub	1.32Å	1.34Å	Aromatic
C15	C8	doub	1.39Å	1.45Å	Aromatic
C15	C9	sing	1.39Å	1.38Å	Aromatic
C19	N22	sing	1.35Å	1.36Å
C19	O23	doub	1.22Å	1.25Å
C20	C11	sing	1.53Å	1.54Å
C20	C2	sing	1.53Å	1.55Å
C20	C3	sing	1.53Å	1.56Å
C11	C10	sing	1.53Å	1.52Å
C12	C10	sing	1.53Å	1.54Å
C12	N22	sing	1.47Å	1.53Å
C1	C14	sing	1.51Å	1.53Å
C4	C5	doub	1.38Å	1.40Å	Aromatic
C4	C6	sing	1.39Å	1.43Å	Aromatic
C7	C8	sing	1.38Å	1.45Å	Aromatic
C7	C14	doub	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C2	H2B	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C3	H3B	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C20	C13	N22	106.9°	108.8°
C13	C20	C11	108.3°	109.3°
C13	C20	C2	111.1°	109.5°
C13	C20	C3	112.1°	109.5°
C20	C13	H13	110.3°	109.6°
C20	C13	H13A	110.9°	109.6°
C13	N22	C19	121.0°	120.7°
C13	N22	C12	114.2°	118.8°
N22	C13	H13	110.3°	109.6°
N22	C13	H13A	110.9°	109.6°
C9	C18	C14	128.1°	120.1°
C9	C18	F24	114.8°	120.0°
C18	C9	C15	118.7°	119.9°
C18	C9	H9	120.7°	120.1°
C14	C18	F24	117.0°	119.9°
C18	C14	C1	118.0°	119.9°
C18	C14	C7	118.0°	120.2°
C19	C17	C6	123.2°	119.7°
C19	C17	N21	113.8°	119.7°
C17	C19	N22	120.0°	120.0°
C17	C19	O23	114.3°	120.0°
C6	C17	N21	122.7°	120.6°
C17	C6	C4	116.9°	119.3°
C17	C6	H6	121.5°	120.3°
C17	N21	C16	120.0°	121.6°
C15	C16	C5	126.6°	119.6°
C15	C16	N21	113.1°	119.7°
C16	C15	C8	127.2°	120.1°
C16	C15	C9	118.1°	120.1°
C5	C16	N21	120.4°	120.7°
C16	C5	C4	120.4°	119.2°
C16	C5	H5	119.8°	120.4°
C8	C15	C9	114.6°	119.8°
C15	C8	C7	126.1°	119.9°
C15	C8	H8	117.0°	120.0°
C15	C9	H9	120.7°	120.1°
N22	C19	O23	125.4°	120.0°
C19	N22	C12	124.8°	120.6°
C11	C20	C2	107.5°	109.5°
C11	C20	C3	112.2°	109.5°
C20	C11	C10	109.7°	109.6°
C20	C11	H11	109.4°	109.5°
C20	C11	H11A	109.3°	109.5°
C2	C20	C3	105.6°	109.5°
C20	C2	H2	109.5°	109.4°
C20	C2	H2A	109.5°	109.5°
C20	C2	H2B	109.4°	109.5°
C20	C3	H3	109.5°	109.5°
C20	C3	H3A	109.5°	109.5°
C20	C3	H3B	109.5°	109.5°
C11	C10	C12	109.4°	109.3°
C10	C11	H11	109.4°	109.5°
C10	C11	H11A	109.3°	109.5°
C11	C10	H10	109.5°	109.5°
C11	C10	H10A	109.5°	109.5°
C10	C12	N22	108.2°	108.8°
C10	C12	H12	109.9°	109.7°
C10	C12	H12A	110.2°	109.6°
C12	C10	H10	109.5°	109.5°
C12	C10	H10A	109.5°	109.5°
N22	C12	H12	109.9°	109.6°
N22	C12	H12A	110.2°	109.5°
C1	C14	C7	124.0°	119.9°
C14	C1	H1	109.5°	109.5°
C14	C1	H1A	109.5°	109.4°
C14	C1	H1B	109.5°	109.5°
C5	C4	C6	119.5°	118.6°
C5	C4	H4	120.2°	120.7°
C4	C5	H5	119.8°	120.4°
C6	C4	H4	120.3°	120.7°
C4	C6	H6	121.6°	120.3°
C8	C7	C14	114.6°	120.2°
C8	C7	H7	122.7°	119.9°
C7	C8	H8	117.0°	120.0°
C14	C7	H7	122.7°	119.9°
H13	C13	H13A	107.5°	109.7°
H11	C11	H11A	109.7°	109.4°
H12	C12	H12A	108.5°	109.7°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
H2	C2	H2A	109.4°	109.4°
H2	C2	H2B	109.5°	109.5°
H2A	C2	H2B	109.5°	109.5°
H3	C3	H3A	109.4°	109.5°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.4°
H10	C10	H10A	109.4°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C20	C13	N22	H13	120.0°	119.8°
C20	C13	N22	H13A	121.0°	119.8°
C20	C13	N22	C19	121.2°	126.4°
C13	C20	C11	C2	120.0°	120.0°
C13	C20	C11	C3	124.2°	119.9°
C13	C20	C2	C3	121.7°	120.1°
C13	C20	C11	C10	62.7°	61.3°
C20	C13	N22	C12	60.3°	53.6°
C20	C13	H13	H13A	121.0°	120.3°
C13	C20	C11	H11	57.3°	178.6°
C13	C20	C11	H11A	177.4°	58.7°
C13	C20	C2	H2	11.1°	60.0°
C13	C20	C2	H2A	131.0°	180.0°
C13	C20	C2	H2B	108.9°	60.0°
C13	C20	C3	H3	134.7°	60.0°
C13	C20	C3	H3A	14.7°	180.0°
C13	C20	C3	H3B	105.2°	60.0°
C13	N22	C19	C17	177.9°	0.3°
C13	N22	C19	C12	178.4°	180.0°
C13	N22	C19	O23	8.4°	179.7°
N22	C13	C20	C11	60.0°	54.6°
N22	C13	C20	C2	57.8°	174.6°
N22	C13	C20	C3	175.7°	65.3°
C13	N22	C12	C10	59.1°	53.5°
N22	C13	H13	H13A	121.1°	120.4°
C13	N22	C12	H12	60.9°	173.4°
C13	N22	C12	H12A	179.6°	66.2°
C9	C18	C14	F24	177.4°	179.7°
C18	C9	C15	C16	178.8°	180.0°
C18	C9	C15	C8	1.7°	0.0°
C18	C9	C15	H9	180.0°	180.0°
C9	C18	C14	C1	177.7°	180.0°
C9	C18	C14	C7	1.0°	0.0°
C14	C18	C9	C15	1.7°	0.0°
C18	C14	C1	C7	178.6°	180.0°
C18	C14	C7	C8	0.4°	0.0°
C18	C14	C1	H1	119.7°	90.0°
C18	C14	C1	H1A	120.3°	150.0°
C18	C14	C1	H1B	0.3°	30.0°
C18	C14	C7	H7	179.6°	180.0°
C14	C18	C9	H9	178.3°	180.0°
F24	C18	C9	C15	179.1°	179.7°
F24	C18	C14	C1	0.4°	0.3°
F24	C18	C14	C7	178.3°	179.7°
F24	C18	C9	H9	0.9°	0.3°
C19	C17	C6	N21	172.8°	179.7°
C19	C17	N21	C16	177.6°	180.0°
C17	C19	N22	O23	173.7°	180.0°
C17	C19	N22	C12	3.7°	179.7°
C19	C17	C6	C4	178.5°	180.0°
C19	C17	C6	H6	1.5°	0.0°
C6	C17	N21	C16	4.2°	0.3°
C6	C17	C19	N22	122.6°	157.8°
C6	C17	C19	O23	51.8°	22.3°
C17	C6	C4	C5	4.5°	0.0°
C17	C6	C4	H6	180.0°	180.0°
C17	C6	C4	H4	175.5°	179.8°
C17	N21	C16	C15	179.4°	180.0°
C17	N21	C16	C5	1.3°	0.0°
N21	C17	C19	N22	64.1°	22.5°
N21	C17	C19	O23	121.6°	157.5°
N21	C17	C6	C4	5.7°	0.3°
N21	C17	C6	H6	174.3°	179.8°
C15	C16	C5	N21	179.2°	180.0°
C16	C15	C8	C9	176.8°	179.9°
C15	C16	C5	C4	179.5°	179.7°
C16	C15	C8	C7	178.2°	180.0°
C15	C16	C5	H5	0.5°	0.0°
C16	C15	C8	H8	1.8°	0.0°
C16	C15	C9	H9	1.2°	0.1°
C5	C16	C15	C8	27.8°	180.0°
C5	C16	C15	C9	148.9°	0.0°
C16	C5	C4	H5	180.0°	179.7°
C16	C5	C4	C6	2.0°	0.3°
C16	C5	C4	H4	178.0°	180.0°
N21	C16	C15	C8	153.0°	0.0°
N21	C16	C15	C9	30.3°	180.0°
N21	C16	C5	C4	0.3°	0.3°
N21	C16	C5	H5	179.7°	180.0°
C15	C8	C7	H8	180.0°	180.0°
C15	C8	C7	C14	0.8°	0.0°
C15	C8	C7	H7	179.2°	180.0°
C8	C15	C9	H9	178.3°	180.0°
C9	C15	C8	C7	1.4°	0.0°
C9	C15	C8	H8	178.6°	179.9°
C19	N22	C12	C10	122.5°	126.4°
C19	N22	C13	H13	1.2°	113.8°
C19	N22	C13	H13A	117.8°	6.6°
C19	N22	C12	H12	117.6°	6.5°
C19	N22	C12	H12A	2.0°	113.8°
O23	C19	N22	C12	170.0°	0.3°
C11	C20	C2	C3	120.0°	120.1°
C20	C11	C10	H11	120.0°	120.1°
C20	C11	C10	H11A	119.9°	120.0°
C20	C11	C10	C12	61.4°	61.3°
C11	C20	C13	H13	180.0°	65.2°
C11	C20	C13	H13A	61.0°	174.4°
C20	C11	H11	H11A	119.9°	119.9°
C11	C20	C2	H2	107.2°	59.8°
C11	C20	C2	H2A	12.8°	60.1°
C11	C20	C2	H2B	132.8°	179.8°
C11	C20	C3	H3	12.7°	179.8°
C11	C20	C3	H3A	107.3°	60.2°
C11	C20	C3	H3B	132.7°	59.8°
C20	C11	C10	H10	178.6°	58.6°
C20	C11	C10	H10A	58.6°	178.7°
C2	C20	C11	C10	57.4°	178.7°
C2	C20	C13	H13	62.2°	54.8°
C2	C20	C13	H13A	178.8°	65.6°
C2	C20	C11	H11	177.4°	58.6°
C2	C20	C11	H11A	62.5°	61.3°
C20	C2	H2	H2A	120.0°	120.0°
C20	C2	H2	H2B	120.0°	120.0°
C20	C2	H2A	H2B	120.0°	120.1°
C2	C20	C3	H3	104.2°	60.1°
C2	C20	C3	H3A	135.8°	59.9°
C2	C20	C3	H3B	15.8°	179.9°
C3	C20	C11	C10	173.1°	58.6°
C3	C20	C13	H13	55.7°	174.9°
C3	C20	C13	H13A	63.3°	54.5°
C3	C20	C11	H11	66.9°	61.5°
C3	C20	C11	H11A	53.2°	178.7°
C3	C20	C2	H2	132.8°	179.9°
C3	C20	C2	H2A	107.2°	60.0°
C3	C20	C2	H2B	12.8°	60.1°
C20	C3	H3	H3A	120.0°	120.0°
C20	C3	H3	H3B	120.0°	120.0°
C20	C3	H3A	H3B	120.0°	120.0°
C11	C10	C12	H10	120.0°	120.0°
C11	C10	C12	H10A	120.1°	120.0°
C11	C10	C12	N22	57.0°	54.6°
C10	C11	H11	H11A	119.9°	119.9°
C11	C10	C12	H12	63.0°	174.4°
C11	C10	C12	H12A	177.5°	65.1°
C11	C10	H10	H10A	120.1°	120.1°
C10	C12	N22	H12	120.0°	119.9°
C10	C12	N22	H12A	120.5°	119.7°
C12	C10	C11	H11	58.6°	178.6°
C12	C10	C11	H11A	178.7°	58.7°
C10	C12	H12	H12A	120.5°	120.4°
C12	C10	H10	H10A	120.0°	120.0°
C12	N22	C13	H13	179.7°	66.2°
C12	N22	C13	H13A	60.7°	173.4°
N22	C12	H12	H12A	120.5°	120.3°
N22	C12	C10	H10	177.0°	65.4°
N22	C12	C10	H10A	63.0°	174.5°
C1	C14	C7	C8	178.2°	180.0°
C14	C1	H1	H1A	120.0°	120.0°
C14	C1	H1	H1B	120.0°	120.0°
C14	C1	H1A	H1B	120.0°	120.0°
C1	C14	C7	H7	1.8°	0.0°
C5	C4	C6	H4	180.0°	179.7°
C5	C4	C6	H6	175.5°	180.0°
C6	C4	C5	H5	178.0°	180.0°
C8	C7	C14	H7	180.0°	180.0°
C7	C14	C1	H1	58.9°	89.9°
C7	C14	C1	H1A	61.1°	30.0°
C7	C14	C1	H1B	178.9°	150.0°
C14	C7	C8	H8	179.3°	179.9°
H11	C11	C10	H10	61.4°	61.5°
H11	C11	C10	H10A	178.7°	58.6°
H11A	C11	C10	H10	58.7°	178.6°
H11A	C11	C10	H10A	61.2°	61.2°
H12	C12	C10	H10	57.0°	54.5°
H12	C12	C10	H10A	177.0°	65.6°
H12A	C12	C10	H10	62.5°	174.9°
H12A	C12	C10	H10A	57.5°	54.8°
H1	C1	H1A	H1B	120.0°	120.0°
H2	C2	H2A	H2B	120.0°	120.0°
H3	C3	H3A	H3B	120.0°	120.0°
H4	C4	C5	H5	2.0°	0.3°
H4	C4	C6	H6	4.5°	0.2°
H7	C7	C8	H8	0.8°	0.0°

Definition date:	2008-04-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB