D2A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.40Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.40Å	1.41Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.40Å	1.41Å	Aromatic
C3	C7	sing	1.48Å	1.41Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.40Å	1.41Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C6	C25	sing	1.48Å	1.41Å
C7	C8	doub	1.40Å	1.41Å	Aromatic
C7	C12	sing	1.40Å	1.41Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	doub	1.40Å	1.41Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	C11	sing	1.40Å	1.41Å	Aromatic
C10	C13	sing	1.48Å	1.44Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C12	H12	sing	1.08Å	1.10Å
C13	N14	doub	1.31Å	1.41Å	Aromatic
C13	N17	sing	1.37Å	1.42Å	Aromatic
N14	C15	sing	1.35Å	1.38Å	Aromatic
C15	C16	doub	1.41Å	1.42Å	Aromatic
C15	C19	sing	1.40Å	1.40Å	Aromatic
C16	N17	sing	1.38Å	1.38Å	Aromatic
C16	C18	sing	1.38Å	1.41Å	Aromatic
N17	H17	sing	0.97Å	1.02Å
C18	C21	doub	1.39Å	1.42Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	C20	doub	1.36Å	1.39Å	Aromatic
C19	H19	sing	1.08Å	1.10Å
C20	C21	sing	1.40Å	1.43Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C21	C22	sing	1.48Å	1.41Å
C22	N23	sing	1.38Å	1.34Å
C22	N24	doub	1.30Å	1.34Å
N23	H231	sing	0.97Å	1.02Å
N23	H232	sing	0.97Å	1.02Å
N24	H24	sing	0.97Å	1.02Å
C25	N26	sing	1.38Å	1.34Å
C25	N27	doub	1.30Å	1.34Å
N26	H261	sing	0.97Å	1.02Å
N26	H262	sing	0.97Å	1.02Å
N27	H27	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	121.9°	120.0°
C2	C1	H1	118.0°	120.0°
C1	C2	C3	121.7°	120.0°
C1	C2	H2	118.2°	120.0°
C6	C1	H1	120.1°	120.0°
C1	C6	C5	116.4°	120.0°
C1	C6	C25	121.7°	120.0°
C3	C2	H2	120.1°	120.0°
C2	C3	C4	116.5°	120.0°
C2	C3	C7	122.0°	120.0°
C4	C3	C7	121.5°	120.0°
C3	C4	C5	121.8°	120.0°
C3	C4	H4	120.1°	120.0°
C3	C7	C8	122.8°	120.0°
C3	C7	C12	120.7°	120.0°
C5	C4	H4	118.1°	120.0°
C4	C5	C6	121.7°	120.0°
C4	C5	H5	118.2°	120.0°
C6	C5	H5	120.1°	120.0°
C5	C6	C25	121.9°	120.0°
C6	C25	N26	123.3°	120.0°
C6	C25	N27	123.5°	120.0°
C8	C7	C12	116.5°	120.0°
C7	C8	C9	121.8°	120.0°
C7	C8	H8	119.9°	120.0°
C7	C12	C11	121.7°	120.1°
C7	C12	H12	120.2°	120.0°
C9	C8	H8	118.3°	120.0°
C8	C9	C10	121.4°	120.0°
C8	C9	H9	118.7°	120.0°
C10	C9	H9	120.0°	120.0°
C9	C10	C11	117.1°	120.0°
C9	C10	C13	122.6°	120.0°
C11	C10	C13	120.3°	120.0°
C10	C11	C12	121.5°	120.0°
C10	C11	H11	120.1°	120.0°
C10	C13	N14	122.9°	125.2°
C10	C13	N17	121.0°	125.1°
C12	C11	H11	118.4°	120.1°
C11	C12	H12	118.2°	120.0°
N14	C13	N17	116.1°	109.7°
C13	N14	C15	101.2°	109.9°
C13	N17	C16	101.0°	107.0°
C13	N17	H17	115.4°	126.5°
N14	C15	C16	110.7°	107.2°
N14	C15	C19	128.9°	133.2°
C16	C15	C19	120.4°	119.6°
C15	C16	N17	110.9°	106.2°
C15	C16	C18	120.2°	120.0°
C15	C19	C20	118.8°	120.1°
C15	C19	H19	121.0°	120.0°
N17	C16	C18	128.9°	133.8°
C16	N17	H17	115.4°	126.5°
C16	C18	C21	120.5°	119.6°
C16	C18	H18	119.3°	120.2°
C21	C18	H18	120.2°	120.2°
C18	C21	C20	117.1°	120.2°
C18	C21	C22	121.2°	119.9°
C20	C19	H19	120.3°	119.9°
C19	C20	C21	123.1°	120.5°
C19	C20	H20	117.2°	119.7°
C21	C20	H20	119.7°	119.7°
C20	C21	C22	121.7°	119.9°
C21	C22	N23	123.7°	120.0°
C21	C22	N24	123.3°	120.0°
N23	C22	N24	113.1°	120.0°
C22	N23	H231	123.6°	120.0°
C22	N23	H232	107.2°	120.0°
C22	N24	H24	92.6°	120.0°
H231	N23	H232	107.2°	120.0°
N26	C25	N27	113.2°	120.0°
C25	N26	H261	123.3°	120.0°
C25	N26	H262	107.3°	120.0°
C25	N27	H27	110.3°	120.0°
H261	N26	H262	107.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	179.9°	179.4°
C1	C2	C3	H2	180.0°	179.7°
C1	C2	C3	C4	0.6°	0.3°
C1	C2	C3	C7	179.8°	179.7°
C2	C1	C6	C5	0.1°	0.6°
C2	C1	C6	C25	180.0°	179.7°
C6	C1	C2	C3	0.4°	0.6°
C6	C1	C2	H2	179.6°	179.7°
C1	C6	C5	C4	0.0°	0.2°
C1	C6	C5	C25	179.9°	179.7°
C1	C6	C5	H5	180.0°	179.7°
C1	C6	C25	N26	32.2°	0.3°
C1	C6	C25	N27	148.0°	179.8°
H1	C1	C2	C3	179.7°	180.0°
H1	C1	C2	H2	0.4°	0.2°
H1	C1	C6	C5	180.0°	180.0°
H1	C1	C6	C25	0.1°	0.3°
C2	C3	C4	C7	179.2°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.4°	179.9°
C2	C3	C7	C8	28.4°	39.8°
C2	C3	C7	C12	151.3°	140.0°
H2	C2	C3	C4	179.4°	180.0°
H2	C2	C3	C7	0.2°	0.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	H5	179.8°	180.0°
C4	C3	C7	C8	152.5°	140.2°
C4	C3	C7	C12	27.8°	40.0°
C7	C3	C4	C5	179.7°	179.9°
C7	C3	C4	H4	0.2°	0.0°
C3	C7	C8	C12	179.7°	179.8°
C3	C7	C8	C9	179.8°	180.0°
C3	C7	C8	H8	0.1°	0.1°
C3	C7	C12	C11	179.8°	179.7°
C3	C7	C12	H12	0.1°	0.2°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C25	179.9°	180.0°
H4	C4	C5	C6	179.7°	180.0°
H4	C4	C5	H5	0.3°	0.1°
C5	C6	C25	N26	147.7°	180.0°
C5	C6	C25	N27	32.1°	0.0°
H5	C5	C6	C25	0.1°	0.0°
C6	C25	N26	N27	179.8°	179.9°
C6	C25	N26	H261	180.0°	0.0°
C6	C25	N26	H262	54.8°	179.8°
C6	C25	N27	H27	97.8°	179.9°
C7	C8	C9	H8	179.9°	179.9°
C7	C8	C9	C10	0.0°	0.0°
C7	C8	C9	H9	180.0°	180.0°
C8	C7	C12	C11	0.2°	0.5°
C8	C7	C12	H12	179.8°	180.0°
C12	C7	C8	C9	0.2°	0.2°
C12	C7	C8	H8	179.8°	179.7°
C7	C12	C11	C10	0.0°	0.5°
C7	C12	C11	H12	179.9°	179.5°
C7	C12	C11	H11	180.0°	179.8°
C8	C9	C10	H9	179.9°	180.0°
C8	C9	C10	C11	0.1°	0.0°
C8	C9	C10	C13	180.0°	179.9°
H8	C8	C9	C10	179.9°	179.9°
H8	C8	C9	H9	0.1°	0.1°
C9	C10	C11	C13	179.9°	179.9°
C9	C10	C11	C12	0.1°	0.3°
C9	C10	C11	H11	179.9°	180.0°
C9	C10	C13	N14	1.0°	40.0°
C9	C10	C13	N17	178.8°	140.3°
H9	C9	C10	C11	179.9°	179.9°
H9	C9	C10	C13	0.0°	0.0°
C10	C11	C12	H11	180.0°	179.7°
C10	C11	C12	H12	179.9°	179.9°
C11	C10	C13	N14	179.1°	139.9°
C11	C10	C13	N17	1.0°	39.8°
C13	C10	C11	C12	180.0°	179.8°
C13	C10	C11	H11	0.0°	0.1°
C10	C13	N14	N17	179.8°	179.7°
C10	C13	N14	C15	180.0°	179.9°
C10	C13	N17	C16	179.9°	180.0°
C10	C13	N17	H17	54.7°	0.0°
H11	C11	C12	H12	0.1°	0.2°
C13	N14	C15	C16	0.1°	0.4°
C13	N14	C15	C19	180.0°	180.0°
N14	C13	N17	C16	0.1°	0.2°
N14	C13	N17	H17	125.2°	179.7°
N17	C13	N14	C15	0.1°	0.4°
C13	N17	C16	C15	0.0°	0.0°
C13	N17	C16	H17	125.3°	179.9°
C13	N17	C16	C18	179.9°	179.9°
N14	C15	C16	C19	179.9°	179.7°
N14	C15	C16	N17	0.0°	0.3°
N14	C15	C16	C18	180.0°	179.7°
N14	C15	C19	C20	180.0°	179.6°
N14	C15	C19	H19	0.0°	0.4°
C15	C16	N17	C18	179.9°	180.0°
C15	C16	N17	H17	125.2°	180.0°
C15	C16	C18	C21	0.1°	0.0°
C15	C16	C18	H18	179.9°	179.9°
C16	C15	C19	C20	0.1°	0.1°
C16	C15	C19	H19	179.9°	180.0°
C19	C15	C16	N17	180.0°	180.0°
C19	C15	C16	C18	0.1°	0.0°
C15	C19	C20	H19	180.0°	180.0°
C15	C19	C20	C21	0.0°	0.1°
C15	C19	C20	H20	180.0°	180.0°
N17	C16	C18	C21	180.0°	179.9°
N17	C16	C18	H18	0.0°	0.1°
C18	C16	N17	H17	54.9°	0.0°
C16	C18	C21	H18	179.9°	180.0°
C16	C18	C21	C20	0.1°	0.0°
C16	C18	C21	C22	180.0°	180.0°
C18	C21	C20	C19	0.1°	0.1°
C18	C21	C20	C22	179.9°	179.9°
C18	C21	C20	H20	180.0°	180.0°
C18	C21	C22	N23	134.6°	180.0°
C18	C21	C22	N24	45.1°	0.0°
H18	C18	C21	C20	180.0°	179.9°
H18	C18	C21	C22	0.0°	0.0°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	C22	180.0°	180.0°
H19	C19	C20	C21	179.9°	180.0°
H19	C19	C20	H20	0.0°	0.0°
C20	C21	C22	N23	45.3°	0.0°
C20	C21	C22	N24	135.0°	179.9°
H20	C20	C21	C22	0.0°	0.1°
C21	C22	N23	N24	179.7°	180.0°
C21	C22	N23	H231	180.0°	0.0°
C21	C22	N23	H232	54.7°	180.0°
C21	C22	N24	H24	3.6°	179.9°
C22	N23	H231	H232	125.3°	180.0°
N23	C22	N24	H24	176.1°	0.1°
N24	C22	N23	H231	0.3°	180.0°
N24	C22	N23	H232	125.0°	0.0°
C25	N26	H261	H262	125.2°	179.8°
N26	C25	N27	H27	82.4°	0.0°
N27	C25	N26	H261	0.2°	179.9°
N27	C25	N26	H262	125.4°	0.3°

Definition date:	2005-09-16
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2B0K