2N6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N21	C20	trip	1.14Å	1.13Å
C20	C12	sing	1.43Å	1.44Å
C11	C12	doub	1.36Å	1.32Å	Aromatic
C11	N10	sing	1.36Å	1.34Å	Aromatic
C12	C8	sing	1.47Å	1.39Å	Aromatic
C18	C15	sing	1.51Å	1.55Å
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.37Å	Aromatic
N10	C9	sing	1.37Å	1.31Å	Aromatic
C16	C17	doub	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.41Å	1.39Å	Aromatic
C8	C4	sing	1.40Å	1.39Å	Aromatic
C13	C5	doub	1.39Å	1.40Å	Aromatic
C17	C5	sing	1.39Å	1.41Å	Aromatic
C17	C19	sing	1.51Å	1.56Å
C5	C4	sing	1.48Å	1.40Å
C9	N3	sing	1.33Å	1.34Å	Aromatic
C4	N1	doub	1.33Å	1.35Å	Aromatic
N3	C2	doub	1.32Å	1.33Å	Aromatic
N1	C2	sing	1.33Å	1.37Å	Aromatic
C2	S6	sing	1.76Å	1.77Å
C7	S6	sing	1.81Å	1.82Å
C19	H1	sing	1.09Å	1.10Å
C19	H2	sing	1.09Å	1.10Å
C19	H3	sing	1.09Å	1.10Å
C16	H4	sing	1.08Å	1.08Å
C18	H5	sing	1.09Å	1.10Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
N10	H13	sing	0.97Å	1.00Å
C11	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N21	C20	C12	177.0°	180.0°
C20	C12	C11	129.0°	126.9°
C20	C12	C8	124.3°	126.8°
C12	C11	N10	109.7°	109.7°
C11	C12	C8	106.7°	106.4°
C12	C11	H14	125.1°	125.1°
C11	N10	C9	109.9°	110.5°
C11	N10	H13	125.0°	124.8°
N10	C11	H14	125.2°	125.2°
C12	C8	C9	106.4°	106.1°
C12	C8	C4	134.6°	135.1°
C18	C15	C14	119.9°	119.9°
C18	C15	C16	120.6°	119.9°
C15	C18	H5	109.5°	109.5°
C15	C18	H6	109.5°	109.4°
C15	C18	H7	109.5°	109.4°
C14	C15	C16	119.5°	120.3°
C15	C14	C13	120.2°	120.1°
C15	C14	H8	119.9°	119.9°
C15	C16	C17	121.3°	120.2°
C15	C16	H4	119.3°	120.0°
C14	C13	C5	120.8°	119.9°
C13	C14	H8	119.9°	120.0°
C14	C13	H9	119.6°	120.0°
N10	C9	C8	107.2°	107.4°
N10	C9	N3	130.7°	134.0°
C9	N10	H13	125.0°	124.7°
C16	C17	C5	118.3°	119.8°
C16	C17	C19	115.6°	120.1°
C17	C16	H4	119.3°	119.9°
C9	C8	C4	118.9°	118.9°
C8	C9	N3	122.0°	118.6°
C8	C4	C5	126.9°	120.8°
C8	C4	N1	116.8°	118.4°
C13	C5	C17	119.7°	119.7°
C13	C5	C4	116.4°	120.1°
C5	C13	H9	119.6°	120.1°
C5	C17	C19	126.1°	120.1°
C17	C5	C4	123.5°	120.1°
C17	C19	H1	109.5°	109.5°
C17	C19	H2	109.5°	109.5°
C17	C19	H3	109.4°	109.5°
C5	C4	N1	116.2°	120.8°
C9	N3	C2	119.0°	120.7°
C4	N1	C2	122.8°	120.9°
N3	C2	N1	120.4°	122.5°
N3	C2	S6	118.0°	118.7°
N1	C2	S6	121.6°	118.7°
C2	S6	C7	103.6°	100.0°
S6	C7	H10	109.5°	109.5°
S6	C7	H11	109.5°	109.5°
S6	C7	H12	109.5°	109.4°
H1	C19	H2	109.5°	109.4°
H1	C19	H3	109.5°	109.4°
H2	C19	H3	109.5°	109.5°
H5	C18	H6	109.5°	109.5°
H5	C18	H7	109.5°	109.5°
H6	C18	H7	109.4°	109.5°
H10	C7	H11	109.5°	109.5°
H10	C7	H12	109.5°	109.5°
H11	C7	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N21	C20	C12	C11	149.9°	20.1°
N21	C20	C12	C8	29.2°	159.9°
C20	C12	C11	C8	179.3°	179.9°
C20	C12	C11	N10	179.9°	180.0°
C20	C12	C8	C9	179.9°	180.0°
C20	C12	C8	C4	0.0°	0.1°
C20	C12	C11	H14	0.1°	0.1°
C12	C11	N10	H14	180.0°	179.9°
C12	C11	N10	C9	0.5°	0.0°
C11	C12	C8	C9	0.8°	0.0°
C11	C12	C8	C4	179.3°	180.0°
C12	C11	N10	H13	179.5°	180.0°
N10	C11	C12	C8	0.8°	0.0°
C11	N10	C9	H13	180.0°	180.0°
C11	N10	C9	C8	0.1°	0.0°
C11	N10	C9	N3	177.6°	180.0°
C12	C8	C9	N10	0.6°	0.0°
C12	C8	C9	C4	179.9°	180.0°
C12	C8	C4	C5	2.1°	0.0°
C12	C8	C9	N3	177.4°	180.0°
C12	C8	C4	N1	178.8°	179.7°
C8	C12	C11	H14	179.2°	179.9°
C18	C15	C14	C16	179.0°	180.0°
C18	C15	C14	C13	179.7°	180.0°
C18	C15	C16	C17	178.2°	180.0°
C18	C15	C16	H4	1.8°	0.1°
C15	C18	H5	H6	120.0°	120.0°
C15	C18	H5	H7	120.0°	119.9°
C15	C18	H6	H7	120.0°	119.9°
C18	C15	C14	H8	0.3°	0.0°
C15	C14	C13	H8	180.0°	180.0°
C14	C15	C16	C17	0.8°	0.0°
C15	C14	C13	C5	3.5°	0.1°
C14	C15	C16	H4	179.2°	179.9°
C14	C15	C18	H5	89.5°	90.0°
C14	C15	C18	H6	150.5°	150.0°
C14	C15	C18	H7	30.5°	30.0°
C15	C14	C13	H9	176.5°	180.0°
C16	C15	C14	C13	1.3°	0.0°
C15	C16	C17	H4	180.0°	179.9°
C15	C16	C17	C5	0.7°	0.1°
C15	C16	C17	C19	179.7°	179.7°
C16	C15	C18	H5	89.5°	90.0°
C16	C15	C18	H6	30.6°	30.0°
C16	C15	C18	H7	150.5°	150.1°
C16	C15	C14	H8	178.7°	179.9°
C14	C13	C5	H9	180.0°	180.0°
C14	C13	C5	C17	3.5°	0.1°
C14	C13	C5	C4	176.7°	179.8°
N10	C9	C8	N3	177.9°	180.0°
N10	C9	C8	C4	179.5°	180.0°
N10	C9	N3	C2	179.7°	179.7°
C9	N10	C11	H14	179.5°	179.9°
C16	C17	C5	C13	1.4°	0.1°
C16	C17	C5	C19	179.6°	179.8°
C16	C17	C5	C4	174.1°	179.8°
C16	C17	C19	H1	90.2°	95.1°
C16	C17	C19	H2	149.8°	24.8°
C16	C17	C19	H3	29.8°	144.9°
C9	C8	C4	C5	177.8°	180.0°
C9	C8	C4	N1	1.1°	0.3°
C8	C9	N3	C2	2.9°	0.3°
C8	C9	N10	H13	179.9°	180.0°
C8	C4	C5	C13	120.6°	54.9°
C8	C4	C5	C17	66.4°	125.4°
C8	C4	C5	N1	176.7°	179.7°
C4	C8	C9	N3	2.5°	0.0°
C8	C4	N1	C2	0.3°	0.3°
C13	C5	C17	C4	172.7°	179.7°
C13	C5	C17	C19	178.2°	179.7°
C13	C5	C4	N1	62.7°	124.8°
C5	C13	C14	H8	176.5°	179.9°
C17	C5	C4	N1	110.2°	54.9°
C5	C17	C19	H1	90.3°	84.7°
C5	C17	C19	H2	29.7°	155.4°
C5	C17	C19	H3	149.8°	35.3°
C5	C17	C16	H4	179.3°	180.0°
C17	C5	C13	H9	176.5°	180.0°
C19	C17	C5	C4	5.4°	0.0°
C17	C19	H1	H2	120.0°	120.0°
C17	C19	H1	H3	120.0°	120.0°
C17	C19	H2	H3	120.0°	120.1°
C19	C17	C16	H4	0.3°	0.2°
C5	C4	N1	C2	177.3°	180.0°
C4	C5	C13	H9	3.2°	0.3°
C9	N3	C2	N1	1.9°	0.3°
C9	N3	C2	S6	175.6°	179.8°
N3	C9	N10	H13	2.4°	0.0°
C4	N1	C2	N3	0.6°	0.0°
C4	N1	C2	S6	176.8°	179.9°
N3	C2	N1	S6	177.4°	179.9°
N3	C2	S6	C7	131.5°	0.1°
N1	C2	S6	C7	45.9°	180.0°
C2	S6	C7	H10	180.0°	60.0°
C2	S6	C7	H11	60.0°	60.0°
C2	S6	C7	H12	60.0°	180.0°
S6	C7	H10	H11	120.0°	120.0°
S6	C7	H10	H12	120.0°	120.0°
S6	C7	H11	H12	120.0°	120.0°
H1	C19	H2	H3	120.0°	120.0°
H5	C18	H6	H7	120.0°	120.0°
H8	C14	C13	H9	3.5°	0.0°
H10	C7	H11	H12	120.0°	120.0°
H13	N10	C11	H14	0.5°	0.1°

Release date:	2012-10-19
Definition date:	2012-06-06
Last modified:	2012-10-19
Release status:	REL
Processing site:	RCSB
Derived from:	4FCQ