L9G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.36Å	1.38Å	Aromatic
C1	C2	sing	1.41Å	1.53Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	N8	doub	1.33Å	1.33Å	Aromatic
C2	N3	sing	1.37Å	1.33Å	Aromatic
C4	N3	sing	1.36Å	1.47Å	Aromatic
N3	C7	sing	1.37Å	1.38Å	Aromatic
C5	C4	doub	1.35Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C6	C5	sing	1.40Å	1.38Å	Aromatic
C10	C5	sing	1.51Å	1.50Å
C6	H6	sing	1.08Å	1.08Å
N9	C7	doub	1.32Å	1.28Å	Aromatic
C7	C20	sing	1.48Å	1.49Å	Aromatic
N8	N9	sing	1.29Å	1.37Å	Aromatic
C11	C10	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C12	C11	sing	1.51Å	1.50Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C17	C12	doub	1.38Å	1.39Å	Aromatic
C12	C13	sing	1.39Å	1.38Å	Aromatic
C14	C13	doub	1.38Å	1.37Å	Aromatic
C13	F18	sing	1.35Å	1.34Å
C15	C14	sing	1.38Å	1.37Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
F19	C15	sing	1.35Å	1.34Å
C16	C15	doub	1.38Å	1.38Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C20	C25	doub	1.40Å	1.38Å	Aromatic
C20	C21	sing	1.39Å	1.38Å	Aromatic
C21	C22	doub	1.39Å	1.38Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C23	sing	1.40Å	1.37Å	Aromatic
C22	C26	sing	1.48Å	1.48Å
C24	C23	doub	1.38Å	1.39Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C25	C24	sing	1.38Å	1.38Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C29	C25	sing	1.51Å	1.51Å
O28	C26	doub	1.22Å	1.22Å
C26	N27	sing	1.35Å	1.37Å
N27	HN27	sing	0.97Å	1.00Å
N27	HN2A	sing	0.97Å	1.00Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C29	H29B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	113.9°	119.2°
C6	C1	H1	123.1°	120.4°
C1	C6	C5	123.9°	119.7°
C1	C6	H6	118.1°	120.1°
C2	C1	H1	123.0°	120.4°
C1	C2	N8	130.9°	133.3°
C1	C2	N3	121.7°	119.7°
N8	C2	N3	107.4°	107.0°
C2	N8	N9	108.0°	109.7°
C2	N3	C4	121.6°	120.5°
C2	N3	C7	108.1°	105.9°
C4	N3	C7	130.3°	133.6°
N3	C4	C5	116.5°	120.5°
N3	C4	H4	121.8°	119.7°
N3	C7	N9	107.8°	107.2°
N3	C7	C20	131.1°	126.4°
C5	C4	H4	121.8°	119.7°
C4	C5	C6	122.6°	120.3°
C4	C5	C10	117.0°	119.8°
C6	C5	C10	120.4°	119.8°
C5	C6	H6	118.1°	120.2°
C5	C10	C11	114.6°	109.5°
C5	C10	H10	107.8°	109.4°
C5	C10	H10A	107.8°	109.5°
N9	C7	C20	121.1°	126.4°
C7	N9	N8	108.7°	110.1°
C7	C20	C25	123.5°	120.1°
C7	C20	C21	116.4°	120.1°
C11	C10	H10	107.8°	109.4°
C11	C10	H10A	107.8°	109.5°
C10	C11	C12	113.0°	109.5°
C10	C11	H11	108.3°	109.5°
C10	C11	H11A	108.3°	109.5°
H10	C10	H10A	111.0°	109.5°
C12	C11	H11	108.3°	109.5°
C12	C11	H11A	108.3°	109.5°
C11	C12	C17	121.3°	120.0°
C11	C12	C13	119.9°	120.0°
H11	C11	H11A	110.6°	109.5°
C17	C12	C13	118.8°	120.0°
C12	C17	C16	120.1°	120.0°
C12	C17	H17	119.9°	120.0°
C12	C13	C14	121.1°	120.0°
C12	C13	F18	121.5°	120.0°
C14	C13	F18	117.4°	120.0°
C13	C14	C15	119.8°	119.9°
C13	C14	H14	120.1°	120.0°
C15	C14	H14	120.1°	120.0°
C14	C15	F19	117.7°	120.0°
C14	C15	C16	120.4°	120.0°
F19	C15	C16	121.9°	120.0°
C15	C16	C17	119.6°	120.0°
C15	C16	H16	120.2°	120.0°
C17	C16	H16	120.2°	120.0°
C16	C17	H17	120.0°	120.0°
C25	C20	C21	119.9°	119.8°
C20	C25	C24	119.5°	120.2°
C20	C25	C29	121.9°	119.9°
C20	C21	C22	120.1°	119.7°
C20	C21	H21	120.0°	120.1°
C22	C21	H21	120.0°	120.2°
C21	C22	C23	120.8°	119.8°
C21	C22	C26	116.6°	120.1°
C23	C22	C26	122.6°	120.1°
C22	C23	C24	118.9°	120.2°
C22	C23	H23	120.6°	119.8°
C22	C26	O28	118.4°	120.0°
C22	C26	N27	115.2°	120.0°
C24	C23	H23	120.6°	120.0°
C23	C24	C25	120.9°	120.3°
C23	C24	H24	119.6°	119.8°
C25	C24	H24	119.6°	119.9°
C24	C25	C29	118.6°	119.9°
C25	C29	H29	109.5°	109.5°
C25	C29	H29A	109.5°	109.5°
C25	C29	H29B	109.5°	109.5°
O28	C26	N27	126.4°	120.0°
C26	N27	HN27	120.0°	120.0°
C26	N27	HN2A	120.0°	120.0°
HN27	N27	HN2A	120.0°	120.1°
H29	C29	H29A	109.5°	109.4°
H29	C29	H29B	109.4°	109.5°
H29A	C29	H29B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H1	180.0°	179.8°
C6	C1	C2	N8	179.8°	179.7°
C6	C1	C2	N3	0.0°	0.3°
C1	C6	C5	C4	0.9°	0.6°
C1	C6	C5	H6	180.0°	179.5°
C1	C6	C5	C10	179.7°	179.7°
C1	C2	N8	N3	179.8°	180.0°
C1	C2	N3	C4	0.4°	0.0°
C1	C2	N3	C7	180.0°	180.0°
C2	C1	C6	C5	0.6°	0.5°
C2	C1	C6	H6	179.4°	180.0°
C1	C2	N8	N9	179.4°	180.0°
H1	C1	C2	N8	0.2°	0.1°
H1	C1	C2	N3	180.0°	179.9°
H1	C1	C6	C5	179.4°	179.7°
H1	C1	C6	H6	0.6°	0.2°
N8	C2	N3	C4	179.8°	180.0°
N8	C2	N3	C7	0.1°	0.0°
C2	N8	N9	C7	0.8°	0.0°
C2	N3	C4	C7	179.6°	180.0°
C2	N3	C4	C5	0.1°	0.1°
C2	N3	C4	H4	179.9°	180.0°
C2	N3	C7	N9	0.6°	0.0°
C2	N3	C7	C20	179.8°	180.0°
N3	C2	N8	N9	0.3°	0.0°
N3	C4	C5	H4	180.0°	179.9°
N3	C4	C5	C6	0.5°	0.3°
N3	C4	C5	C10	179.9°	179.9°
C4	N3	C7	N9	179.8°	180.0°
C4	N3	C7	C20	0.6°	0.0°
C7	N3	C4	C5	179.7°	180.0°
C7	N3	C4	H4	0.3°	0.0°
N3	C7	N9	C20	179.2°	180.0°
N3	C7	N9	N8	0.8°	0.0°
N3	C7	C20	C25	61.9°	132.6°
N3	C7	C20	C21	122.3°	47.1°
C4	C5	C6	C10	179.3°	179.7°
C4	C5	C6	H6	179.1°	179.9°
C4	C5	C10	C11	105.7°	95.0°
C4	C5	C10	H10	14.3°	145.0°
C4	C5	C10	H10A	134.3°	25.0°
H4	C4	C5	C6	179.5°	179.7°
H4	C4	C5	C10	0.1°	0.0°
C6	C5	C10	C11	74.9°	84.7°
C6	C5	C10	H10	165.0°	35.2°
C6	C5	C10	H10A	45.1°	155.3°
C10	C5	C6	H6	0.3°	0.2°
C5	C10	C11	H10	120.0°	119.9°
C5	C10	C11	H10A	120.0°	120.0°
C5	C10	H10	H10A	117.9°	120.0°
C5	C10	C11	C12	65.9°	180.0°
C5	C10	C11	H11	54.1°	60.0°
C5	C10	C11	H11A	174.1°	60.0°
N9	C7	C20	C25	117.2°	47.4°
N9	C7	C20	C21	58.6°	132.9°
C20	C7	N9	N8	179.9°	180.0°
C7	C20	C25	C21	175.6°	179.7°
C7	C20	C21	C22	175.7°	180.0°
C7	C20	C21	H21	4.3°	0.0°
C7	C20	C25	C24	176.1°	179.7°
C7	C20	C25	C29	3.1°	0.1°
C11	C10	H10	H10A	117.9°	120.0°
C10	C11	C12	H11	120.0°	120.0°
C10	C11	C12	H11A	120.0°	120.0°
C10	C11	H11	H11A	118.5°	120.0°
C10	C11	C12	C17	61.4°	95.3°
C10	C11	C12	C13	119.7°	85.0°
H10	C10	C11	C12	174.1°	60.1°
H10	C10	C11	H11	65.9°	180.0°
H10	C10	C11	H11A	54.1°	60.0°
H10A	C10	C11	C12	54.1°	60.0°
H10A	C10	C11	H11	174.1°	60.0°
H10A	C10	C11	H11A	65.9°	180.0°
C12	C11	H11	H11A	118.6°	120.0°
C11	C12	C17	C13	178.9°	179.7°
C11	C12	C13	C14	179.4°	179.9°
C11	C12	C13	F18	0.1°	0.1°
C11	C12	C17	C16	179.9°	179.8°
C11	C12	C17	H17	0.1°	0.2°
H11	C11	C12	C17	178.6°	144.7°
H11	C11	C12	C13	0.3°	35.0°
H11A	C11	C12	C17	58.6°	24.7°
H11A	C11	C12	C13	120.2°	155.0°
C17	C12	C13	C14	0.5°	0.3°
C17	C12	C13	F18	178.8°	179.8°
C12	C17	C16	C15	1.2°	0.4°
C12	C17	C16	H17	180.0°	179.6°
C12	C17	C16	H16	178.8°	179.7°
C12	C13	C14	F18	179.3°	180.0°
C12	C13	C14	C15	0.3°	0.0°
C12	C13	C14	H14	179.7°	180.0°
C13	C12	C17	C16	1.2°	0.5°
C13	C12	C17	H17	178.7°	179.9°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	F19	178.9°	180.0°
C13	C14	C15	C16	0.3°	0.1°
F18	C13	C14	C15	179.6°	180.0°
F18	C13	C14	H14	0.4°	0.0°
C14	C15	F19	C16	179.2°	180.0°
C14	C15	C16	C17	0.4°	0.2°
C14	C15	C16	H16	179.6°	180.0°
H14	C14	C15	F19	1.1°	0.0°
H14	C14	C15	C16	179.7°	180.0°
F19	C15	C16	C17	179.6°	179.8°
F19	C15	C16	H16	0.4°	0.0°
C15	C16	C17	H16	180.0°	179.8°
C15	C16	C17	H17	178.8°	180.0°
H16	C16	C17	H17	1.2°	0.2°
C25	C20	C21	C22	0.3°	0.3°
C25	C20	C21	H21	179.7°	179.8°
C20	C25	C24	C23	1.3°	0.6°
C20	C25	C24	C29	179.3°	179.8°
C20	C25	C24	H24	178.7°	179.7°
C20	C25	C29	H29	90.4°	90.0°
C20	C25	C29	H29A	149.6°	150.0°
C20	C25	C29	H29B	29.6°	30.0°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	C23	0.3°	0.0°
C20	C21	C22	C26	179.9°	180.0°
C21	C20	C25	C24	0.5°	0.6°
C21	C20	C25	C29	178.7°	179.7°
C21	C22	C23	C26	179.8°	180.0°
C21	C22	C23	C24	0.5°	0.1°
C21	C22	C23	H23	179.5°	180.0°
C21	C22	C26	O28	5.8°	0.0°
C21	C22	C26	N27	174.2°	180.0°
H21	C21	C22	C23	179.7°	180.0°
H21	C21	C22	C26	0.1°	0.0°
C22	C23	C24	H23	180.0°	179.9°
C22	C23	C24	C25	1.3°	0.3°
C22	C23	C24	H24	178.7°	180.0°
C23	C22	C26	O28	174.4°	180.0°
C23	C22	C26	N27	5.6°	0.0°
C26	C22	C23	C24	179.3°	179.9°
C26	C22	C23	H23	0.7°	0.0°
C22	C26	O28	N27	179.9°	179.9°
C22	C26	N27	HN27	179.9°	0.1°
C22	C26	N27	HN2A	0.1°	180.0°
C23	C24	C25	H24	180.0°	179.7°
C23	C24	C25	C29	178.0°	179.6°
H23	C23	C24	C25	178.7°	179.7°
H23	C23	C24	H24	1.3°	0.0°
C24	C25	C29	H29	90.4°	89.7°
C24	C25	C29	H29A	29.6°	30.3°
C24	C25	C29	H29B	149.6°	150.3°
H24	C24	C25	C29	2.0°	0.1°
C25	C29	H29	H29A	120.0°	120.0°
C25	C29	H29	H29B	120.0°	120.0°
C25	C29	H29A	H29B	120.0°	120.0°
O28	C26	N27	HN27	0.0°	180.0°
O28	C26	N27	HN2A	180.0°	0.1°
C26	N27	HN27	HN2A	180.0°	179.9°
H29	C29	H29A	H29B	120.0°	120.0°

Definition date:	2009-10-28
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3KF7