BVV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N6	C21	doub	1.33Å	1.32Å
N7	C21	sing	1.33Å	1.32Å
C21	C20	sing	1.48Å	1.41Å
C20	C19	doub	1.40Å	1.42Å	Aromatic
C20	C18	sing	1.40Å	1.41Å	Aromatic
C19	C17	sing	1.38Å	1.41Å	Aromatic
C18	C16	doub	1.38Å	1.39Å	Aromatic
C17	C15	doub	1.40Å	1.40Å	Aromatic
C16	C15	sing	1.40Å	1.40Å	Aromatic
C15	C14	sing	1.48Å	1.46Å
C14	N5	sing	1.37Å	1.36Å	Aromatic
C14	N4	doub	1.31Å	1.31Å	Aromatic
N5	C12	sing	1.38Å	1.35Å	Aromatic
N4	C13	sing	1.35Å	1.39Å	Aromatic
C12	C13	doub	1.41Å	1.37Å	Aromatic
C12	N3	sing	1.32Å	1.34Å	Aromatic
C13	C11	sing	1.40Å	1.41Å	Aromatic
N3	C9	doub	1.32Å	1.35Å	Aromatic
C11	C10	doub	1.37Å	1.41Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C9	O1	sing	1.36Å	1.39Å
C8	O1	sing	1.43Å	1.43Å
C8	C7	sing	1.51Å	1.51Å
C3	C7	doub	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C7	C2	sing	1.38Å	1.41Å	Aromatic
C4	C5	doub	1.40Å	1.41Å	Aromatic
C2	C1	doub	1.38Å	1.41Å	Aromatic
N2	C6	doub	1.33Å	1.31Å
C5	C1	sing	1.40Å	1.41Å	Aromatic
C5	C6	sing	1.48Å	1.40Å
C6	N1	sing	1.33Å	1.31Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
N1	H6	sing	0.97Å	1.00Å
N1	H5	sing	0.97Å	1.00Å
N2	H8	sing	0.97Å	1.00Å
C8	H10	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C10	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.08Å	1.08Å
N5	H13	sing	0.97Å	1.00Å
C16	H14	sing	1.08Å	1.08Å
C18	H16	sing	1.08Å	1.08Å
C19	H17	sing	1.08Å	1.08Å
C17	H15	sing	1.08Å	1.08Å
N6	H18	sing	0.97Å	1.00Å
N7	H21	sing	0.97Å	1.00Å
N7	H20	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
N6	H19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C21	N7	115.7°	120.0°
N6	C21	C20	122.6°	120.0°
C21	N6	H18	120.0°	120.0°
C21	N6	H19	120.0°	120.0°
N7	C21	C20	120.8°	120.0°
C21	N7	H21	120.0°	120.0°
C21	N7	H20	120.0°	120.0°
C21	C20	C19	122.4°	120.0°
C21	C20	C18	117.8°	120.0°
C19	C20	C18	119.7°	120.0°
C20	C19	C17	119.7°	120.0°
C20	C19	H17	120.1°	120.0°
C20	C18	C16	119.6°	120.0°
C20	C18	H16	120.2°	120.0°
C19	C17	C15	120.4°	120.0°
C17	C19	H17	120.2°	120.0°
C19	C17	H15	119.8°	120.0°
C18	C16	C15	121.6°	120.0°
C18	C16	H14	119.2°	120.0°
C16	C18	H16	120.2°	120.0°
C17	C15	C16	119.0°	120.0°
C17	C15	C14	123.5°	120.0°
C15	C17	H15	119.8°	120.0°
C16	C15	C14	117.4°	120.0°
C15	C16	H14	119.2°	120.0°
C15	C14	N5	120.2°	125.1°
C15	C14	N4	125.4°	125.1°
N5	C14	N4	114.4°	109.8°
C14	N5	C12	105.5°	107.3°
C14	N5	H13	127.2°	126.4°
C14	N4	C13	103.2°	109.5°
N5	C12	C13	107.2°	106.0°
N5	C12	N3	124.7°	133.6°
C12	N5	H13	127.2°	126.3°
N4	C13	C12	109.7°	107.4°
N4	C13	C11	134.4°	133.6°
C13	C12	N3	128.1°	120.3°
C12	C13	C11	116.0°	119.0°
C12	N3	C9	115.6°	121.4°
C13	C11	C10	118.3°	118.4°
C13	C11	H12	120.8°	120.8°
N3	C9	C10	122.5°	121.2°
N3	C9	O1	120.4°	119.4°
C11	C10	C9	119.6°	119.7°
C11	C10	H11	120.2°	120.2°
C10	C11	H12	120.8°	120.8°
C10	C9	O1	117.1°	119.4°
C9	C10	H11	120.2°	120.1°
C9	O1	C8	120.2°	117.0°
O1	C8	C7	114.8°	109.5°
O1	C8	H10	108.1°	109.5°
O1	C8	H9	108.2°	109.5°
C8	C7	C3	117.8°	119.9°
C8	C7	C2	122.5°	119.9°
C7	C8	H10	108.1°	109.5°
C7	C8	H9	108.1°	109.5°
C7	C3	C4	120.7°	120.2°
C3	C7	C2	119.7°	120.3°
C7	C3	H3	119.6°	119.9°
C3	C4	C5	119.9°	119.9°
C4	C3	H3	119.6°	119.9°
C3	C4	H4	120.0°	120.1°
C7	C2	C1	120.0°	120.1°
C7	C2	H2	120.0°	119.9°
C4	C5	C1	119.6°	119.7°
C4	C5	C6	119.1°	120.2°
C5	C4	H4	120.1°	120.0°
C2	C1	C5	120.1°	119.9°
C2	C1	H1	120.0°	120.1°
C1	C2	H2	120.0°	120.0°
N2	C6	C5	121.7°	120.0°
N2	C6	N1	115.9°	120.0°
C6	N2	H8	120.0°	120.0°
C6	N2	H7	120.0°	120.0°
C1	C5	C6	121.3°	120.1°
C5	C1	H1	120.0°	120.1°
C5	C6	N1	122.3°	120.0°
C6	N1	H6	120.0°	120.0°
C6	N1	H5	120.0°	120.0°
H6	N1	H5	120.0°	120.0°
H8	N2	H7	120.0°	120.0°
H10	C8	H9	109.5°	109.5°
H18	N6	H19	120.0°	120.0°
H21	N7	H20	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C21	N7	C20	169.5°	180.0°
N6	C21	C20	C19	146.7°	150.0°
N6	C21	C20	C18	36.5°	29.7°
C21	N6	H18	H19	180.0°	179.9°
N6	C21	N7	H21	169.5°	179.9°
N6	C21	N7	H20	10.6°	0.0°
N7	C21	C20	C19	44.6°	30.0°
N7	C21	C20	C18	132.2°	150.3°
N7	C21	N6	H18	169.3°	180.0°
C21	N7	H21	H20	180.0°	180.0°
N7	C21	N6	H19	10.8°	0.0°
C21	C20	C19	C18	176.7°	179.7°
C21	C20	C19	C17	176.3°	180.0°
C21	C20	C18	C16	175.5°	179.8°
C21	C20	C18	H16	4.5°	0.3°
C21	C20	C19	H17	3.7°	0.3°
C20	C21	N6	H18	0.0°	0.0°
C20	C21	N7	H21	0.0°	0.0°
C20	C21	N7	H20	180.0°	180.0°
C20	C21	N6	H19	180.0°	180.0°
C20	C19	C17	H17	180.0°	179.7°
C19	C20	C18	C16	1.4°	0.0°
C20	C19	C17	C15	0.7°	0.6°
C19	C20	C18	H16	178.7°	180.0°
C20	C19	C17	H15	179.3°	180.0°
C18	C20	C19	C17	0.3°	0.3°
C20	C18	C16	H16	180.0°	179.9°
C20	C18	C16	C15	1.4°	0.0°
C20	C18	C16	H14	178.6°	179.9°
C18	C20	C19	H17	179.6°	180.0°
C19	C17	C15	H15	180.0°	179.4°
C19	C17	C15	C16	0.7°	0.6°
C19	C17	C15	C14	178.8°	179.7°
C18	C16	C15	C17	0.3°	0.3°
C18	C16	C15	H14	180.0°	179.9°
C18	C16	C15	C14	177.9°	180.0°
C17	C15	C16	C14	178.2°	179.7°
C17	C15	C14	N5	152.3°	0.3°
C17	C15	C14	N4	28.4°	179.7°
C17	C15	C16	H14	179.7°	179.8°
C15	C17	C19	H17	179.3°	179.7°
C16	C15	C14	N5	25.8°	180.0°
C16	C15	C14	N4	153.5°	0.1°
C15	C16	C18	H16	178.6°	180.0°
C16	C15	C17	H15	179.3°	180.0°
C15	C14	N5	N4	179.4°	180.0°
C15	C14	N5	C12	176.7°	179.9°
C15	C14	N4	C13	177.0°	180.0°
C15	C14	N5	H13	3.3°	0.1°
C14	C15	C16	H14	2.1°	0.1°
C14	C15	C17	H15	1.2°	0.3°
C14	N5	C12	H13	180.0°	180.0°
N5	C14	N4	C13	2.3°	0.0°
C14	N5	C12	C13	1.8°	0.0°
C14	N5	C12	N3	178.9°	180.0°
N4	C14	N5	C12	2.7°	0.0°
C14	N4	C13	C12	1.1°	0.0°
C14	N4	C13	C11	179.3°	180.0°
N4	C14	N5	H13	177.3°	180.0°
N5	C12	C13	N4	0.4°	0.0°
N5	C12	C13	N3	179.3°	180.0°
N5	C12	C13	C11	179.2°	180.0°
N5	C12	N3	C9	178.2°	180.0°
N4	C13	C12	C11	179.7°	180.0°
N4	C13	C12	N3	179.8°	180.0°
N4	C13	C11	C10	178.8°	180.0°
N4	C13	C11	H12	1.2°	0.0°
C13	C12	N3	C9	1.1°	0.1°
C12	C13	C11	C10	0.7°	0.0°
C12	C13	C11	H12	179.3°	180.0°
C13	C12	N5	H13	178.3°	180.0°
N3	C12	C13	C11	0.1°	0.0°
C12	N3	C9	C10	1.1°	0.1°
C12	N3	C9	O1	179.3°	180.0°
N3	C12	N5	H13	1.1°	0.0°
C13	C11	C10	H12	180.0°	180.0°
C13	C11	C10	C9	0.6°	0.0°
C13	C11	C10	H11	179.4°	180.0°
N3	C9	C10	C11	0.3°	0.1°
N3	C9	C10	O1	179.5°	179.9°
N3	C9	O1	C8	6.6°	0.0°
N3	C9	C10	H11	179.6°	180.0°
C11	C10	C9	H11	180.0°	179.9°
C11	C10	C9	O1	179.9°	180.0°
C10	C9	O1	C8	172.9°	180.0°
C9	C10	C11	H12	179.4°	180.0°
C9	O1	C8	C7	164.8°	180.0°
C9	O1	C8	H10	74.4°	60.0°
C9	O1	C8	H9	44.1°	60.0°
O1	C9	C10	H11	0.1°	0.1°
O1	C8	C7	H10	120.8°	120.0°
O1	C8	C7	H9	120.8°	120.0°
O1	C8	C7	C3	164.6°	90.0°
O1	C8	C7	C2	14.7°	89.8°
O1	C8	H10	H9	117.6°	120.0°
C8	C7	C3	C2	179.3°	179.8°
C8	C7	C3	C4	178.5°	180.0°
C8	C7	C2	C1	177.1°	179.7°
C8	C7	C2	H2	2.9°	0.2°
C8	C7	C3	H3	1.6°	0.2°
C7	C8	H10	H9	117.6°	120.0°
C7	C3	C4	H3	180.0°	179.8°
C7	C3	C4	C5	1.2°	0.3°
C3	C7	C2	C1	2.2°	0.1°
C3	C7	C2	H2	177.8°	180.0°
C7	C3	C4	H4	178.8°	180.0°
C3	C7	C8	H10	74.6°	29.9°
C3	C7	C8	H9	43.8°	150.0°
C4	C3	C7	C2	0.8°	0.2°
C3	C4	C5	H4	180.0°	179.7°
C3	C4	C5	C1	1.9°	0.1°
C3	C4	C5	C6	177.1°	180.0°
C7	C2	C1	H2	180.0°	180.0°
C7	C2	C1	C5	1.5°	0.3°
C7	C2	C1	H1	178.5°	179.9°
C2	C7	C3	H3	179.1°	180.0°
C2	C7	C8	H10	106.1°	150.3°
C2	C7	C8	H9	135.5°	30.2°
C4	C5	C1	C2	0.6°	0.2°
C4	C5	C6	N2	44.1°	30.0°
C4	C5	C1	C6	178.9°	179.9°
C4	C5	C6	N1	139.1°	150.0°
C4	C5	C1	H1	179.4°	180.0°
C5	C4	C3	H3	178.8°	180.0°
C2	C1	C5	H1	180.0°	179.8°
C2	C1	C5	C6	178.4°	179.7°
N2	C6	C5	C1	134.9°	150.0°
N2	C6	C5	N1	176.9°	180.0°
N2	C6	N1	H6	177.0°	180.0°
N2	C6	N1	H5	2.9°	0.1°
C6	N2	H8	H7	180.0°	180.0°
C1	C5	C6	N1	42.0°	29.9°
C5	C1	C2	H2	178.5°	179.8°
C1	C5	C4	H4	178.1°	179.7°
C6	C5	C1	H1	1.6°	0.1°
C6	C5	C4	H4	2.9°	0.3°
C5	C6	N1	H6	0.0°	0.1°
C5	C6	N1	H5	180.0°	180.0°
C5	C6	N2	H8	177.0°	0.0°
C5	C6	N2	H7	3.0°	180.0°
C6	N1	H6	H5	180.0°	179.9°
N1	C6	N2	H8	0.0°	179.9°
N1	C6	N2	H7	180.0°	0.0°
H1	C1	C2	H2	1.5°	0.0°
H3	C3	C4	H4	1.2°	0.3°
H11	C10	C11	H12	0.6°	0.1°
H14	C16	C18	H16	1.4°	0.1°
H17	C19	C17	H15	0.7°	0.3°

Release date:	2018-01-31
Definition date:	2017-08-28
Last modified:	2018-01-26
Release status:	REL
Processing site:	RCSB
Derived from:	6AST