H89

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C1	doub	1.32Å	1.35Å	Aromatic
C1	C2	sing	1.38Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	doub	1.39Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C3	sing	1.39Å	1.40Å	Aromatic
C3	C7	sing	1.51Å	1.53Å
C5	C4	doub	1.38Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
N6	C5	sing	1.32Å	1.35Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C7	N8	sing	1.47Å	1.46Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
N8	N12	sing	1.40Å	1.40Å	Aromatic
N8	C9	sing	1.37Å	1.33Å	Aromatic
C9	N13	sing	1.33Å	1.35Å	Aromatic
C9	C10	doub	1.41Å	1.37Å	Aromatic
C11	C10	sing	1.41Å	1.44Å	Aromatic
C10	C16	sing	1.41Å	1.39Å	Aromatic
N12	C11	doub	1.30Å	1.36Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
N13	C14	doub	1.32Å	1.34Å	Aromatic
C14	C21	sing	1.48Å	1.48Å
C14	C15	sing	1.40Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C18	sing	1.48Å	1.51Å
O19	C18	doub	1.21Å	1.25Å
C18	O20	sing	1.35Å	1.24Å
O20	HO20	sing	0.97Å	0.95Å
C22	C21	doub	1.39Å	1.39Å	Aromatic
C21	C26	sing	1.39Å	1.39Å	Aromatic
C22	C23	sing	1.38Å	1.39Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	C24	doub	1.39Å	1.40Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C24	O27	sing	1.36Å	1.37Å
C24	C25	sing	1.39Å	1.39Å	Aromatic
C26	C25	doub	1.38Å	1.39Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
O27	C34	sing	1.43Å	1.43Å
C34	C28	sing	1.51Å	1.51Å
C33	C28	doub	1.38Å	1.40Å	Aromatic
C28	C29	sing	1.38Å	1.39Å	Aromatic
C29	C30	doub	1.38Å	1.39Å	Aromatic
C29	H29	sing	1.08Å	1.08Å
C31	C30	sing	1.38Å	1.40Å	Aromatic
C30	H30	sing	1.08Å	1.08Å
C32	C31	doub	1.38Å	1.39Å	Aromatic
C31	H31	sing	1.08Å	1.08Å
C33	C32	sing	1.38Å	1.39Å	Aromatic
C32	H32	sing	1.08Å	1.08Å
C33	H33	sing	1.08Å	1.08Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C1	C2	120.6°	120.8°
N6	C1	H1	119.7°	119.6°
C1	N6	C5	119.7°	121.7°
C2	C1	H1	119.7°	119.6°
C1	C2	C3	121.1°	119.1°
C1	C2	H2	119.4°	120.4°
C3	C2	H2	119.5°	120.4°
C2	C3	C4	117.1°	118.4°
C2	C3	C7	122.0°	120.8°
C4	C3	C7	120.9°	120.8°
C3	C4	C5	119.4°	119.2°
C3	C4	H4	120.3°	120.4°
C3	C7	N8	105.5°	109.5°
C3	C7	H7	110.8°	109.4°
C3	C7	H7A	110.8°	109.5°
C5	C4	H4	120.3°	120.4°
C4	C5	N6	122.0°	120.8°
C4	C5	H5	119.0°	119.6°
N6	C5	H5	119.0°	119.6°
N8	C7	H7	110.8°	109.5°
N8	C7	H7A	110.8°	109.5°
C7	N8	N12	116.4°	125.9°
C7	N8	C9	131.4°	125.9°
H7	C7	H7A	108.1°	109.5°
N12	N8	C9	112.2°	108.2°
N8	N12	C11	107.7°	109.7°
N8	C9	N13	132.4°	133.3°
N8	C9	C10	104.8°	106.4°
N13	C9	C10	122.8°	120.3°
C9	N13	C14	119.8°	121.9°
C9	C10	C11	110.8°	107.1°
C9	C10	C16	118.0°	119.1°
C11	C10	C16	131.2°	133.8°
C10	C11	N12	104.5°	108.6°
C10	C11	H11	127.8°	125.7°
C10	C16	C15	119.3°	118.0°
C10	C16	C18	120.4°	121.0°
N12	C11	H11	127.7°	125.7°
N13	C14	C21	117.4°	119.3°
N13	C14	C15	120.9°	121.5°
C21	C14	C15	121.8°	119.3°
C14	C21	C22	119.1°	120.0°
C14	C21	C26	119.6°	120.1°
C14	C15	C16	119.2°	119.2°
C14	C15	H15	120.4°	120.4°
C16	C15	H15	120.4°	120.4°
C15	C16	C18	120.3°	121.0°
C16	C18	O19	119.6°	120.0°
C16	C18	O20	119.4°	120.0°
O19	C18	O20	120.9°	120.0°
C18	O20	HO20	109.5°	117.0°
C22	C21	C26	121.2°	119.9°
C21	C22	C23	119.4°	119.9°
C21	C22	H22	120.3°	120.1°
C21	C26	C25	119.5°	119.9°
C21	C26	H26	120.3°	120.0°
C23	C22	H22	120.3°	120.0°
C22	C23	C24	119.6°	120.1°
C22	C23	H23	120.2°	119.9°
C24	C23	H23	120.2°	120.0°
C23	C24	O27	120.8°	119.9°
C23	C24	C25	120.5°	120.1°
O27	C24	C25	118.7°	120.0°
C24	O27	C34	109.3°	117.0°
C24	C25	C26	119.9°	120.1°
C24	C25	H25	120.1°	120.0°
C26	C25	H25	120.1°	120.0°
C25	C26	H26	120.2°	120.1°
O27	C34	C28	109.5°	109.4°
O27	C34	H34	109.5°	109.5°
O27	C34	H34A	109.5°	109.5°
C34	C28	C33	119.9°	120.0°
C34	C28	C29	120.0°	120.0°
C28	C34	H34	109.4°	109.5°
C28	C34	H34A	109.5°	109.4°
C33	C28	C29	120.1°	120.0°
C28	C33	C32	121.0°	120.0°
C28	C33	H33	119.5°	120.0°
C28	C29	C30	119.3°	120.0°
C28	C29	H29	120.3°	120.0°
C30	C29	H29	120.3°	120.0°
C29	C30	C31	120.4°	120.0°
C29	C30	H30	119.8°	120.0°
C31	C30	H30	119.8°	120.0°
C30	C31	C32	120.6°	120.0°
C30	C31	H31	119.7°	120.0°
C32	C31	H31	119.7°	120.0°
C31	C32	C33	118.7°	120.0°
C31	C32	H32	120.7°	120.0°
C33	C32	H32	120.7°	120.0°
C32	C33	H33	119.5°	120.0°
H34	C34	H34A	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C1	C2	H1	180.0°	179.6°
N6	C1	C2	C3	0.3°	0.3°
N6	C1	C2	H2	179.6°	179.7°
C1	N6	C5	C4	0.4°	0.6°
C1	N6	C5	H5	179.5°	179.7°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.0°
C1	C2	C3	C7	178.9°	180.0°
C2	C1	N6	C5	0.1°	0.6°
H1	C1	C2	C3	179.7°	180.0°
H1	C1	C2	H2	0.4°	0.1°
H1	C1	N6	C5	179.9°	179.7°
C2	C3	C4	C7	178.9°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	180.0°
C2	C3	C7	N8	168.1°	90.0°
C2	C3	C7	H7	71.9°	150.0°
C2	C3	C7	H7A	48.1°	30.0°
H2	C2	C3	C4	180.0°	180.0°
H2	C2	C3	C7	1.1°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	N6	0.8°	0.3°
C3	C4	C5	H5	179.2°	180.0°
C4	C3	C7	N8	10.7°	90.0°
C4	C3	C7	H7	109.3°	30.0°
C4	C3	C7	H7A	130.7°	150.0°
C7	C3	C4	C5	179.5°	180.0°
C7	C3	C4	H4	0.5°	0.0°
C3	C7	N8	H7	120.0°	120.0°
C3	C7	N8	H7A	120.0°	120.0°
C3	C7	H7	H7A	121.6°	120.0°
C3	C7	N8	N12	92.9°	89.9°
C3	C7	N8	C9	84.7°	89.7°
C4	C5	N6	H5	180.0°	179.7°
H4	C4	C5	N6	179.2°	179.7°
H4	C4	C5	H5	0.8°	0.1°
N8	C7	H7	H7A	121.6°	120.0°
C7	N8	N12	C9	178.0°	179.7°
C7	N8	C9	N13	1.7°	0.1°
C7	N8	C9	C10	176.8°	180.0°
C7	N8	N12	C11	177.7°	179.9°
H7	C7	N8	N12	147.1°	30.0°
H7	C7	N8	C9	35.3°	150.3°
H7A	C7	N8	N12	27.1°	150.0°
H7A	C7	N8	C9	155.3°	30.3°
N12	N8	C9	N13	179.3°	179.8°
N12	N8	C9	C10	0.8°	0.3°
N8	N12	C11	C10	0.3°	0.4°
N8	N12	C11	H11	179.7°	179.8°
N8	C9	N13	C10	178.3°	180.0°
N8	C9	C10	C11	1.0°	0.0°
N8	C9	C10	C16	179.7°	179.9°
C9	N8	N12	C11	0.3°	0.4°
N8	C9	N13	C14	179.4°	180.0°
N13	C9	C10	C11	179.7°	180.0°
N13	C9	C10	C16	1.5°	0.0°
C9	N13	C14	C21	179.3°	180.0°
C9	N13	C14	C15	0.0°	0.0°
C9	C10	C11	C16	178.5°	179.9°
C9	C10	C11	N12	0.8°	0.3°
C9	C10	C11	H11	179.2°	180.0°
C10	C9	N13	C14	1.1°	0.0°
C9	C10	C16	C15	1.0°	0.1°
C9	C10	C16	C18	178.9°	180.0°
C10	C11	N12	H11	180.0°	179.8°
C11	C10	C16	C15	179.5°	180.0°
C11	C10	C16	C18	0.5°	0.1°
C16	C10	C11	N12	179.3°	179.8°
C16	C10	C11	H11	0.7°	0.0°
C10	C16	C15	C14	0.1°	0.1°
C10	C16	C15	C18	179.9°	179.9°
C10	C16	C15	H15	179.9°	180.0°
C10	C16	C18	O19	0.3°	0.0°
C10	C16	C18	O20	179.4°	180.0°
N13	C14	C21	C15	179.3°	180.0°
N13	C14	C15	C16	0.4°	0.0°
N13	C14	C15	H15	179.6°	180.0°
N13	C14	C21	C22	6.3°	179.7°
N13	C14	C21	C26	174.6°	0.1°
C21	C14	C15	C16	178.8°	180.0°
C21	C14	C15	H15	1.2°	0.0°
C14	C21	C22	C26	179.1°	179.7°
C14	C21	C22	C23	178.9°	180.0°
C14	C21	C22	H22	1.1°	0.1°
C14	C21	C26	C25	179.1°	179.7°
C14	C21	C26	H26	0.9°	0.1°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C18	179.8°	180.0°
C15	C14	C21	C22	172.9°	0.3°
C15	C14	C21	C26	6.1°	180.0°
C15	C16	C18	O19	179.6°	179.9°
C15	C16	C18	O20	0.7°	0.0°
H15	C15	C16	C18	0.2°	0.0°
C16	C18	O19	O20	179.7°	179.9°
C16	C18	O20	HO20	179.7°	180.0°
O19	C18	O20	HO20	0.0°	0.1°
C21	C22	C23	H22	180.0°	179.9°
C21	C22	C23	C24	0.1°	0.0°
C21	C22	C23	H23	179.8°	180.0°
C22	C21	C26	C25	0.0°	0.7°
C22	C21	C26	H26	180.0°	179.7°
C26	C21	C22	C23	0.2°	0.3°
C26	C21	C22	H22	179.9°	179.7°
C21	C26	C25	C24	0.3°	0.7°
C21	C26	C25	H26	180.0°	179.6°
C21	C26	C25	H25	179.7°	179.6°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	O27	179.6°	180.0°
C22	C23	C24	C25	0.1°	0.1°
H22	C22	C23	C24	179.9°	180.0°
H22	C22	C23	H23	0.1°	0.0°
C23	C24	O27	C25	179.5°	179.9°
C23	C24	C25	C26	0.3°	0.4°
C23	C24	C25	H25	179.7°	179.9°
C23	C24	O27	C34	164.6°	180.0°
H23	C23	C24	O27	0.4°	0.0°
H23	C23	C24	C25	179.9°	179.9°
O27	C24	C25	C26	179.8°	179.7°
O27	C24	C25	H25	0.2°	0.0°
C24	O27	C34	C28	130.2°	180.0°
C24	O27	C34	H34	10.2°	60.0°
C24	O27	C34	H34A	109.8°	60.1°
C24	C25	C26	H25	180.0°	179.7°
C24	C25	C26	H26	179.7°	179.7°
C25	C24	O27	C34	14.9°	0.1°
H25	C25	C26	H26	0.3°	0.0°
O27	C34	C28	H34	120.0°	120.0°
O27	C34	C28	H34A	120.0°	120.0°
O27	C34	C28	C33	89.7°	90.3°
O27	C34	C28	C29	90.2°	90.0°
O27	C34	H34	H34A	120.0°	120.1°
C34	C28	C33	C29	179.9°	179.7°
C34	C28	C29	C30	179.7°	179.7°
C34	C28	C29	H29	0.3°	0.3°
C34	C28	C33	C32	179.6°	179.7°
C34	C28	C33	H33	0.4°	0.3°
C28	C34	H34	H34A	120.0°	120.0°
C33	C28	C29	C30	0.5°	0.0°
C33	C28	C29	H29	179.5°	180.0°
C28	C33	C32	C31	0.8°	0.0°
C28	C33	C32	H33	180.0°	180.0°
C28	C33	C32	H32	179.1°	180.0°
C33	C28	C34	H34	150.3°	149.7°
C33	C28	C34	H34A	30.3°	29.7°
C28	C29	C30	H29	180.0°	180.0°
C28	C29	C30	C31	0.6°	0.0°
C28	C29	C30	H30	179.4°	179.9°
C29	C28	C33	C32	0.3°	0.0°
C29	C28	C33	H33	179.7°	180.0°
C29	C28	C34	H34	29.8°	30.0°
C29	C28	C34	H34A	149.8°	150.0°
C29	C30	C31	H30	180.0°	179.9°
C29	C30	C31	C32	0.0°	0.1°
C29	C30	C31	H31	179.9°	180.0°
H29	C29	C30	C31	179.4°	180.0°
H29	C29	C30	H30	0.6°	0.1°
C30	C31	C32	H31	180.0°	179.9°
C30	C31	C32	C33	0.7°	0.1°
C30	C31	C32	H32	179.3°	180.0°
H30	C30	C31	C32	180.0°	180.0°
H30	C30	C31	H31	0.1°	0.1°
C31	C32	C33	H32	180.0°	180.0°
C31	C32	C33	H33	179.2°	179.9°
H31	C31	C32	C33	179.3°	180.0°
H31	C31	C32	H32	0.7°	0.1°
H32	C32	C33	H33	0.8°	0.0°

Release date:	2012-09-28
Definition date:	2011-09-30
Last modified:	2012-09-28
Release status:	REL
Processing site:	RCSB
Derived from:	3U16