034

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C4	C2	sing	1.51Å	1.47Å
C2	C3	sing	1.53Å	1.52Å
C2	H2	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
C30	CL3	sing	1.74Å	1.78Å
O5	C4	sing	1.34Å	1.35Å	Aromatic
C4	C8	doub	1.35Å	1.47Å	Aromatic
N6	O5	sing	1.21Å	1.34Å	Aromatic
N6	C7	doub	1.31Å	1.35Å	Aromatic
C35	CL6	sing	1.74Å	1.79Å
C29	C7	sing	1.48Å	1.48Å	Aromatic
C7	C8	sing	1.42Å	1.48Å	Aromatic
C8	C9	sing	1.51Å	1.49Å
O10	C9	sing	1.43Å	1.42Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
O10	C11	sing	1.36Å	1.36Å
C11	C16	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	sing	1.39Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	doub	1.39Å	1.39Å	Aromatic
C14	C17	sing	1.48Å	1.50Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	C25	doub	1.39Å	1.40Å	Aromatic
C17	C18	sing	1.40Å	1.41Å	Aromatic
C18	C19	doub	1.36Å	1.39Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	C20	sing	1.39Å	1.39Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C24	C20	doub	1.41Å	1.38Å	Aromatic
C20	N21	sing	1.38Å	1.35Å	Aromatic
C22	N21	sing	1.38Å	1.35Å	Aromatic
C23	C22	doub	1.36Å	1.38Å	Aromatic
C22	C26	sing	1.47Å	1.49Å
C24	C23	sing	1.42Å	1.41Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C25	C24	sing	1.40Å	1.39Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
O27	C26	doub	1.22Å	1.34Å
C26	O28	sing	1.35Å	1.23Å
O28	HO28	sing	0.97Å	0.95Å
C30	C29	doub	1.40Å	1.37Å	Aromatic
C35	C29	sing	1.39Å	1.38Å	Aromatic
C32	C30	sing	1.38Å	1.39Å	Aromatic
C33	C32	doub	1.38Å	1.39Å	Aromatic
C32	H32	sing	1.08Å	1.08Å
C33	C34	sing	1.38Å	1.39Å	Aromatic
C33	H33	sing	1.08Å	1.08Å
C34	C35	doub	1.38Å	1.39Å	Aromatic
C34	H34	sing	1.08Å	1.08Å
N21	HN21	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1B	109.4°	109.5°
C1	C2	C4	110.1°	109.5°
C1	C2	C3	112.7°	109.5°
C1	C2	H2	106.6°	109.5°
H1	C1	H1A	109.5°	109.4°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
C4	C2	C3	108.8°	109.5°
C4	C2	H2	110.6°	109.5°
C2	C4	O5	115.8°	126.7°
C2	C4	C8	138.7°	126.7°
C3	C2	H2	107.9°	109.5°
C2	C3	H3	109.5°	109.5°
C2	C3	H3A	109.5°	109.5°
C2	C3	H3B	109.5°	109.5°
H3	C3	H3A	109.5°	109.4°
H3	C3	H3B	109.5°	109.5°
H3A	C3	H3B	109.5°	109.4°
CL3	C30	C29	117.4°	120.1°
CL3	C30	C32	121.6°	120.1°
O5	C4	C8	105.5°	106.6°
C4	O5	N6	114.3°	111.9°
C4	C8	C7	103.5°	104.0°
C4	C8	C9	131.5°	128.0°
O5	N6	C7	108.4°	111.4°
N6	C7	C29	126.5°	126.9°
N6	C7	C8	108.3°	106.1°
CL6	C35	C29	119.9°	120.1°
CL6	C35	C34	120.2°	120.1°
C29	C7	C8	125.2°	127.0°
C7	C29	C30	119.1°	120.1°
C7	C29	C35	120.6°	120.2°
C7	C8	C9	125.0°	128.0°
C8	C9	O10	104.7°	109.5°
C8	C9	H9	111.1°	109.5°
C8	C9	H9A	111.1°	109.5°
O10	C9	H9	111.1°	109.4°
O10	C9	H9A	111.1°	109.5°
C9	O10	C11	120.6°	117.0°
H9	C9	H9A	107.8°	109.5°
O10	C11	C16	120.1°	119.9°
O10	C11	C12	120.3°	120.0°
C16	C11	C12	119.7°	120.2°
C11	C16	C15	120.2°	120.0°
C11	C16	H16	119.9°	120.0°
C11	C12	C13	120.2°	120.1°
C11	C12	H12	119.9°	120.0°
C13	C12	H12	119.9°	119.9°
C12	C13	C14	120.6°	119.9°
C12	C13	H13	119.7°	120.1°
C14	C13	H13	119.7°	120.1°
C13	C14	C15	118.7°	119.9°
C13	C14	C17	120.3°	120.0°
C15	C14	C17	120.9°	120.1°
C14	C15	C16	120.6°	119.9°
C14	C15	H15	119.7°	120.1°
C14	C17	C25	121.7°	119.9°
C14	C17	C18	119.2°	120.0°
C16	C15	H15	119.7°	120.0°
C15	C16	H16	119.9°	120.0°
C25	C17	C18	119.1°	120.2°
C17	C25	C24	119.2°	119.5°
C17	C25	H25	120.4°	120.3°
C17	C18	C19	120.7°	120.7°
C17	C18	H18	119.7°	119.7°
C19	C18	H18	119.7°	119.6°
C18	C19	C20	119.6°	120.2°
C18	C19	H19	120.2°	119.9°
C20	C19	H19	120.2°	119.9°
C19	C20	C24	120.0°	119.7°
C19	C20	N21	133.3°	132.9°
C24	C20	N21	106.7°	107.3°
C20	C24	C23	108.7°	107.0°
C20	C24	C25	121.4°	119.7°
C20	N21	C22	110.8°	108.8°
C20	N21	HN21	124.6°	125.6°
N21	C22	C23	108.4°	109.2°
N21	C22	C26	124.4°	125.4°
C22	N21	HN21	124.6°	125.6°
C23	C22	C26	127.2°	125.4°
C22	C23	C24	105.4°	107.7°
C22	C23	H23	127.3°	126.2°
C22	C26	O27	119.6°	120.0°
C22	C26	O28	119.4°	120.0°
C24	C23	H23	127.4°	126.1°
C23	C24	C25	129.8°	133.3°
C24	C25	H25	120.4°	120.2°
O27	C26	O28	121.0°	120.0°
C26	O28	HO28	109.5°	117.0°
C30	C29	C35	120.2°	119.7°
C29	C30	C32	121.0°	119.9°
C29	C35	C34	119.9°	119.9°
C30	C32	C33	119.1°	120.1°
C30	C32	H32	120.4°	120.0°
C33	C32	H32	120.4°	119.9°
C32	C33	C34	119.8°	120.3°
C32	C33	H33	120.1°	119.8°
C34	C33	H33	120.1°	119.8°
C33	C34	C35	119.9°	120.1°
C33	C34	H34	120.0°	119.9°
C35	C34	H34	120.1°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	C4	C3	124.0°	120.0°
C1	C2	C4	H2	117.6°	120.0°
C1	C2	C3	H2	117.4°	120.0°
C1	C2	C3	H3	180.0°	60.0°
C1	C2	C3	H3A	60.0°	180.0°
C1	C2	C3	H3B	60.0°	60.0°
C1	C2	C4	O5	127.5°	59.7°
C1	C2	C4	C8	52.1°	120.0°
H1	C1	H1A	H1B	120.0°	120.0°
H1	C1	C2	C4	180.0°	180.0°
H1	C1	C2	C3	58.3°	60.0°
H1	C1	C2	H2	60.0°	60.0°
H1A	C1	C2	C4	60.0°	60.0°
H1A	C1	C2	C3	178.3°	180.0°
H1A	C1	C2	H2	60.1°	60.0°
H1B	C1	C2	C4	60.0°	60.0°
H1B	C1	C2	C3	61.7°	60.0°
H1B	C1	C2	H2	179.9°	180.0°
C4	C2	C3	H2	120.1°	120.0°
C4	C2	C3	H3	57.6°	60.0°
C4	C2	C3	H3A	177.6°	60.0°
C4	C2	C3	H3B	62.4°	180.0°
C2	C4	O5	C8	179.7°	179.8°
C2	C4	O5	N6	179.9°	180.0°
C2	C4	C8	C7	179.7°	179.9°
C2	C4	C8	C9	0.5°	0.0°
C2	C3	H3	H3A	120.0°	120.0°
C2	C3	H3	H3B	120.0°	120.0°
C2	C3	H3A	H3B	120.0°	120.0°
C3	C2	C4	O5	108.5°	60.3°
C3	C2	C4	C8	71.9°	120.0°
H2	C2	C3	H3	62.6°	180.0°
H2	C2	C3	H3A	57.5°	60.0°
H2	C2	C3	H3B	177.4°	60.0°
H2	C2	C4	O5	9.9°	179.7°
H2	C2	C4	C8	169.6°	0.0°
H3	C3	H3A	H3B	120.0°	119.9°
CL3	C30	C29	C7	0.6°	0.1°
CL3	C30	C29	C32	179.8°	179.9°
CL3	C30	C29	C35	179.6°	179.8°
CL3	C30	C32	C33	180.0°	180.0°
CL3	C30	C32	H32	0.0°	0.1°
C4	O5	N6	C7	0.1°	0.0°
O5	C4	C8	C7	0.1°	0.3°
O5	C4	C8	C9	179.9°	179.7°
C8	C4	O5	N6	0.2°	0.2°
C4	C8	C7	N6	0.1°	0.3°
C4	C8	C7	C29	179.9°	179.9°
C4	C8	C7	C9	179.8°	180.0°
C4	C8	C9	O10	140.5°	84.1°
C4	C8	C9	H9	20.4°	156.0°
C4	C8	C9	H9A	99.5°	35.9°
O5	N6	C7	C29	179.8°	180.0°
O5	N6	C7	C8	0.0°	0.2°
N6	C7	C29	C8	179.8°	179.8°
N6	C7	C8	C9	179.9°	179.7°
N6	C7	C29	C30	72.9°	58.8°
N6	C7	C29	C35	108.2°	120.9°
CL6	C35	C29	C7	1.0°	0.2°
CL6	C35	C29	C30	179.9°	180.0°
CL6	C35	C29	C34	179.4°	179.5°
CL6	C35	C34	C33	179.7°	180.0°
CL6	C35	C34	H34	0.3°	0.2°
C29	C7	C8	C9	0.3°	0.1°
C7	C29	C30	C35	178.9°	179.7°
C7	C29	C30	C32	179.6°	180.0°
C7	C29	C35	C34	179.6°	179.7°
C7	C8	C9	O10	39.3°	95.9°
C7	C8	C9	H9	159.3°	24.1°
C7	C8	C9	H9A	80.7°	144.1°
C8	C7	C29	C30	107.3°	121.4°
C8	C7	C29	C35	71.6°	58.8°
C8	C9	O10	H9	120.0°	120.0°
C8	C9	O10	H9A	120.0°	120.0°
C8	C9	H9	H9A	121.9°	120.0°
C8	C9	O10	C11	176.2°	180.0°
O10	C9	H9	H9A	122.0°	120.0°
C9	O10	C11	C16	55.8°	180.0°
C9	O10	C11	C12	124.3°	0.2°
H9	C9	O10	C11	56.2°	60.0°
H9A	C9	O10	C11	63.8°	60.0°
O10	C11	C16	C12	179.9°	179.7°
O10	C11	C12	C13	180.0°	180.0°
O10	C11	C12	H12	0.0°	0.1°
O10	C11	C16	C15	179.8°	179.7°
O10	C11	C16	H16	0.2°	0.1°
C16	C11	C12	C13	0.1°	0.3°
C16	C11	C12	H12	179.9°	179.8°
C11	C16	C15	C14	0.3°	0.5°
C11	C16	C15	H16	180.0°	179.7°
C11	C16	C15	H15	179.7°	179.7°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.7°	0.0°
C11	C12	C13	H13	179.4°	179.9°
C12	C11	C16	C15	0.1°	0.6°
C12	C11	C16	H16	179.9°	179.8°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	1.0°	0.1°
C12	C13	C14	C17	179.0°	180.0°
H12	C12	C13	C14	179.4°	179.9°
H12	C12	C13	H13	0.6°	0.0°
C13	C14	C15	C17	178.0°	180.0°
C13	C14	C15	C16	0.9°	0.2°
C13	C14	C15	H15	179.1°	180.0°
C13	C14	C17	C25	32.0°	179.9°
C13	C14	C17	C18	146.3°	0.2°
H13	C13	C14	C15	179.0°	180.0°
H13	C13	C14	C17	1.0°	0.1°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	H16	179.7°	179.8°
C15	C14	C17	C25	150.0°	0.0°
C15	C14	C17	C18	31.6°	179.7°
C17	C14	C15	C16	178.8°	179.8°
C17	C14	C15	H15	1.2°	0.0°
C14	C17	C25	C18	178.3°	179.7°
C14	C17	C18	C19	179.4°	180.0°
C14	C17	C18	H18	0.7°	0.0°
C14	C17	C25	C24	179.3°	179.7°
C14	C17	C25	H25	0.7°	0.0°
H15	C15	C16	H16	0.3°	0.1°
C25	C17	C18	C19	1.0°	0.3°
C25	C17	C18	H18	179.0°	179.7°
C17	C25	C24	C20	0.6°	0.6°
C17	C25	C24	C23	179.5°	179.8°
C17	C25	C24	H25	180.0°	179.7°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.5°	0.0°
C17	C18	C19	H19	179.5°	179.9°
C18	C17	C25	C24	1.0°	0.6°
C18	C17	C25	H25	179.0°	179.7°
C18	C19	C20	H19	180.0°	179.9°
C18	C19	C20	C24	0.0°	0.1°
C18	C19	C20	N21	179.9°	180.0°
H18	C18	C19	C20	179.5°	180.0°
H18	C18	C19	H19	0.5°	0.1°
C19	C20	C24	N21	180.0°	180.0°
C19	C20	N21	C22	179.9°	180.0°
C19	C20	C24	C23	180.0°	180.0°
C19	C20	C24	C25	0.1°	0.2°
C19	C20	N21	HN21	0.1°	0.1°
H19	C19	C20	C24	179.9°	179.9°
H19	C19	C20	N21	0.1°	0.1°
C24	C20	N21	C22	0.1°	0.0°
C20	C24	C23	C22	0.0°	0.0°
C20	C24	C23	C25	180.0°	179.7°
C20	C24	C23	H23	180.0°	180.0°
C20	C24	C25	H25	179.5°	179.7°
C24	C20	N21	HN21	179.9°	180.0°
C20	N21	C22	HN21	180.0°	179.9°
C20	N21	C22	C23	0.1°	0.0°
C20	N21	C22	C26	179.6°	180.0°
N21	C20	C24	C23	0.0°	0.0°
N21	C20	C24	C25	179.9°	179.7°
N21	C22	C23	C26	179.5°	180.0°
N21	C22	C23	C24	0.1°	0.0°
N21	C22	C23	H23	179.9°	180.0°
N21	C22	C26	O27	175.7°	180.0°
N21	C22	C26	O28	5.1°	0.0°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C25	180.0°	179.7°
C23	C22	C26	O27	4.9°	0.0°
C23	C22	C26	O28	174.3°	180.0°
C23	C22	N21	HN21	179.9°	180.0°
C26	C22	C23	C24	179.5°	180.0°
C26	C22	C23	H23	0.5°	0.0°
C22	C26	O27	O28	179.2°	180.0°
C22	C26	O28	HO28	179.2°	180.0°
C26	C22	N21	HN21	0.4°	0.0°
C23	C24	C25	H25	0.5°	0.1°
H23	C23	C24	C25	0.0°	0.3°
O27	C26	O28	HO28	0.0°	0.0°
C29	C30	C32	C33	0.2°	0.0°
C29	C30	C32	H32	179.8°	180.0°
C30	C29	C35	C34	0.7°	0.5°
C35	C29	C30	C32	0.6°	0.3°
C29	C35	C34	C33	0.3°	0.5°
C29	C35	C34	H34	179.7°	179.7°
C30	C32	C33	H32	180.0°	180.0°
C30	C32	C33	C34	0.2°	0.0°
C30	C32	C33	H33	179.8°	180.0°
C32	C33	C34	H33	180.0°	179.9°
C32	C33	C34	C35	0.1°	0.3°
C32	C33	C34	H34	179.9°	180.0°
H32	C32	C33	C34	179.8°	180.0°
H32	C32	C33	H33	0.2°	0.0°
C33	C34	C35	H34	180.0°	179.7°
H33	C33	C34	C35	179.9°	179.7°
H33	C33	C34	H34	0.1°	0.0°

Definition date:	2011-05-10
Last modified:	2011-09-16
Release status:	REL
Processing site:	RCSB
Derived from:	3RVF