DN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.38Å	1.41Å	Aromatic
C1	C6	sing	1.38Å	1.38Å	Aromatic
C3	C4	doub	1.40Å	1.42Å	Aromatic
F22	C7	sing	1.40Å	1.33Å
C6	C7	sing	1.51Å	1.51Å
C6	C5	doub	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.40Å	Aromatic
C4	C8	sing	1.48Å	1.53Å
C7	F24	sing	1.40Å	1.36Å
C7	F23	sing	1.40Å	1.32Å
N19	N20	sing	1.41Å	1.39Å	Aromatic
N19	N18	doub	1.29Å	1.40Å	Aromatic
N20	C16	sing	1.36Å	1.33Å	Aromatic
N9	C8	sing	1.35Å	1.35Å
N9	C10	sing	1.40Å	1.41Å
C8	O21	doub	1.22Å	1.24Å
C11	C10	doub	1.39Å	1.38Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C10	C15	sing	1.39Å	1.38Å	Aromatic
C16	C12	sing	1.48Å	1.40Å
C16	N17	doub	1.32Å	1.37Å	Aromatic
N18	N17	sing	1.28Å	1.38Å	Aromatic
C12	C13	doub	1.39Å	1.37Å	Aromatic
C15	C14	doub	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
N9	H5	sing	0.97Å	1.00Å
C15	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
N20	H10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	118.9°	120.1°
C2	C1	C6	121.6°	120.3°
C2	C1	H1	119.2°	119.9°
C1	C2	H4	120.5°	119.9°
C2	C3	C4	121.6°	119.8°
C2	C3	H3	119.2°	120.1°
C3	C2	H4	120.5°	120.0°
C1	C6	C7	119.4°	120.0°
C1	C6	C5	118.9°	120.1°
C6	C1	H1	119.2°	119.8°
C3	C4	C5	116.9°	119.7°
C3	C4	C8	123.0°	120.1°
C4	C3	H3	119.2°	120.1°
F22	C7	C6	109.2°	109.5°
F22	C7	F24	115.6°	109.4°
F22	C7	F23	105.5°	109.5°
C7	C6	C5	121.6°	119.9°
C6	C7	F24	106.9°	109.5°
C6	C7	F23	110.2°	109.5°
C6	C5	C4	121.9°	119.8°
C6	C5	H2	119.0°	120.1°
C5	C4	C8	120.0°	120.1°
C4	C5	H2	119.1°	120.1°
C4	C8	N9	119.2°	120.0°
C4	C8	O21	116.5°	120.0°
F24	C7	F23	109.4°	109.5°
N20	N19	N18	103.8°	106.8°
N19	N20	C16	112.5°	105.2°
N19	N20	H10	123.7°	127.4°
N19	N18	N17	108.2°	110.4°
N20	C16	C12	125.2°	126.4°
N20	C16	N17	106.4°	107.1°
C16	N20	H10	123.7°	127.4°
C8	N9	C10	123.9°	120.0°
N9	C8	O21	124.3°	120.0°
C8	N9	H5	118.1°	120.0°
N9	C10	C11	116.2°	120.0°
N9	C10	C15	122.3°	120.0°
C10	N9	H5	118.1°	120.0°
C10	C11	C12	120.0°	119.8°
C11	C10	C15	121.5°	120.0°
C10	C11	H9	120.0°	120.1°
C11	C12	C16	121.4°	120.1°
C11	C12	C13	119.0°	119.8°
C12	C11	H9	120.0°	120.2°
C10	C15	C14	117.9°	120.2°
C10	C15	H6	121.0°	119.9°
C12	C16	N17	128.3°	126.5°
C16	C12	C13	119.6°	120.1°
C16	N17	N18	109.1°	110.5°
C12	C13	C14	121.2°	120.0°
C12	C13	H8	119.4°	120.0°
C15	C14	C13	120.4°	120.2°
C14	C15	H6	121.1°	119.8°
C15	C14	H7	119.8°	119.9°
C13	C14	H7	119.8°	119.9°
C14	C13	H8	119.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H4	180.0°	180.0°
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	C4	3.1°	0.2°
C2	C1	C6	C7	179.8°	180.0°
C2	C1	C6	C5	2.8°	0.2°
C1	C2	C3	H3	176.9°	180.0°
C3	C2	C1	C6	2.9°	0.0°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C5	3.2°	0.2°
C2	C3	C4	C8	179.6°	179.7°
C3	C2	C1	H1	177.2°	179.9°
C1	C6	C7	F22	25.4°	150.2°
C1	C6	C7	C5	176.8°	179.8°
C1	C6	C5	C4	3.1°	0.3°
C1	C6	C7	F24	100.4°	89.8°
C1	C6	C7	F23	140.9°	30.2°
C1	C6	C5	H2	176.9°	179.7°
C6	C1	C2	H4	177.1°	180.0°
C3	C4	C5	C6	3.2°	0.0°
C3	C4	C5	C8	176.5°	179.9°
C3	C4	C8	N9	14.3°	0.1°
C3	C4	C8	O21	166.3°	180.0°
C3	C4	C5	H2	176.8°	180.0°
C4	C3	C2	H4	176.9°	179.8°
F22	C7	C6	F24	125.8°	120.0°
F22	C7	C6	F23	115.5°	120.0°
F22	C7	C6	C5	157.8°	30.0°
F22	C7	F24	F23	118.9°	120.0°
C7	C6	C5	C4	179.9°	180.0°
C6	C7	F24	F23	119.3°	120.0°
C7	C6	C1	H1	0.3°	0.1°
C7	C6	C5	H2	0.1°	0.0°
C6	C5	C4	H2	180.0°	180.0°
C6	C5	C4	C8	179.7°	180.0°
C5	C6	C7	F24	76.5°	90.0°
C5	C6	C7	F23	42.3°	150.0°
C5	C6	C1	H1	177.2°	179.7°
C5	C4	C8	N9	162.0°	180.0°
C5	C4	C8	O21	17.4°	0.0°
C5	C4	C3	H3	176.8°	180.0°
C4	C8	N9	O21	179.4°	180.0°
C4	C8	N9	C10	176.6°	174.7°
C8	C4	C5	H2	0.3°	0.0°
C8	C4	C3	H3	0.4°	0.1°
C4	C8	N9	H5	3.5°	5.2°
N19	N20	C16	H10	180.0°	180.0°
N19	N20	C16	C12	179.7°	180.0°
N19	N20	C16	N17	2.7°	0.2°
N20	N19	N18	N17	0.8°	0.3°
N18	N19	N20	C16	1.2°	0.0°
N19	N18	N17	C16	2.4°	0.4°
N18	N19	N20	H10	178.8°	180.0°
N20	C16	C12	C11	4.3°	179.4°
N20	C16	C12	N17	176.3°	179.7°
N20	C16	N17	N18	3.1°	0.4°
N20	C16	C12	C13	177.8°	0.3°
C8	N9	C10	H5	180.0°	179.9°
C8	N9	C10	C11	150.2°	33.5°
C8	N9	C10	C15	30.3°	146.8°
C10	N9	C8	O21	2.8°	5.3°
N9	C10	C11	C15	179.5°	179.7°
N9	C10	C11	C12	179.8°	179.7°
N9	C10	C15	C14	177.7°	180.0°
N9	C10	C15	H6	2.4°	0.1°
N9	C10	C11	H9	0.2°	0.0°
O21	C8	N9	H5	177.2°	174.8°
C10	C11	C12	H9	180.0°	179.6°
C10	C11	C12	C16	179.7°	179.6°
C10	C11	C12	C13	2.4°	0.6°
C11	C10	C15	C14	2.8°	0.4°
C11	C10	N9	H5	29.8°	146.4°
C11	C10	C15	H6	177.2°	179.7°
C12	C11	C10	C15	0.2°	0.7°
C11	C12	C16	C13	177.9°	179.7°
C11	C12	C16	N17	172.0°	0.3°
C11	C12	C13	C14	2.4°	0.3°
C11	C12	C13	H8	177.7°	179.6°
C10	C15	C14	H6	180.0°	179.9°
C10	C15	C14	C13	2.9°	0.0°
C15	C10	N9	H5	149.7°	33.3°
C10	C15	C14	H7	177.1°	180.0°
C15	C10	C11	H9	179.7°	179.7°
C12	C16	N17	N18	180.0°	179.8°
C16	C12	C13	C14	179.7°	180.0°
C16	C12	C13	H8	0.3°	0.1°
C16	C12	C11	H9	0.3°	0.0°
C12	C16	N20	H10	0.3°	0.0°
N17	C16	C12	C13	5.9°	180.0°
N17	C16	N20	H10	177.3°	179.8°
C12	C13	C14	C15	0.3°	0.0°
C12	C13	C14	H8	180.0°	179.9°
C12	C13	C14	H7	179.7°	180.0°
C13	C12	C11	H9	177.6°	179.8°
C15	C14	C13	H7	180.0°	180.0°
C15	C14	C13	H8	179.7°	179.9°
C13	C14	C15	H6	177.1°	179.9°
H1	C1	C2	H4	2.8°	0.1°
H3	C3	C2	H4	3.1°	0.0°
H6	C15	C14	H7	2.9°	0.1°
H7	C14	C13	H8	0.3°	0.1°

Definition date:	2012-01-20
Last modified:	2012-03-23
Release status:	REL
Processing site:	RCSB
Derived from:	4DDY