7C1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.39Å	1.49Å	Aromatic
C21	C1	sing	1.51Å	1.50Å
C1	C2	sing	1.39Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C3	sing	1.39Å	1.40Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C8	C5	sing	1.48Å	1.50Å
C6	C5	sing	1.41Å	1.49Å	Aromatic
C7	C6	sing	1.48Å	1.49Å
O10	C7	doub	1.21Å	1.29Å
N9	C7	sing	1.35Å	1.35Å
N9	C8	sing	1.35Å	1.35Å
O11	C8	doub	1.21Å	1.29Å
C12	N9	sing	1.40Å	1.35Å
N20	C18	sing	1.38Å	1.33Å
N20	HN20	sing	0.97Å	1.00Å
N20	HN2A	sing	0.97Å	1.00Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C21	H21B	sing	1.09Å	1.10Å
C17	C12	doub	1.39Å	1.41Å	Aromatic
C13	C12	sing	1.39Å	1.41Å	Aromatic
C14	C13	doub	1.38Å	1.39Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	C14	sing	1.40Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C18	C15	sing	1.48Å	1.51Å
C15	C16	doub	1.39Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.40Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
N19	C18	doub	1.30Å	1.26Å
N19	HN19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C21	122.9°	120.2°
C6	C1	C2	116.8°	119.7°
C1	C6	C5	119.0°	119.8°
C1	C6	C7	138.5°	134.3°
C21	C1	C2	120.2°	120.1°
C1	C21	H21	109.5°	109.5°
C1	C21	H21A	109.5°	109.5°
C1	C21	H21B	109.4°	109.5°
C1	C2	C3	121.3°	120.5°
C1	C2	H2	119.4°	119.7°
C3	C2	H2	119.4°	119.8°
C2	C3	C4	124.6°	120.4°
C2	C3	H3	117.7°	119.8°
C4	C3	H3	117.7°	119.8°
C3	C4	C5	117.8°	119.8°
C3	C4	H4	121.1°	120.1°
C5	C4	H4	121.1°	120.1°
C4	C5	C8	134.3°	134.3°
C4	C5	C6	120.4°	119.8°
C8	C5	C6	105.3°	105.9°
C5	C8	N9	110.2°	108.6°
C5	C8	O11	124.5°	125.7°
C5	C6	C7	102.5°	105.9°
C6	C7	O10	122.8°	125.7°
C6	C7	N9	112.3°	108.6°
O10	C7	N9	125.0°	125.7°
C7	N9	C8	109.7°	111.1°
C7	N9	C12	124.6°	124.5°
N9	C8	O11	125.3°	125.7°
C8	N9	C12	125.7°	124.4°
N9	C12	C17	122.7°	119.9°
N9	C12	C13	122.5°	119.9°
C18	N20	HN20	120.0°	120.0°
C18	N20	HN2A	120.0°	120.0°
N20	C18	C15	120.4°	120.0°
N20	C18	N19	119.0°	120.0°
HN20	N20	HN2A	120.0°	120.0°
H21	C21	H21A	109.5°	109.5°
H21	C21	H21B	109.5°	109.5°
H21A	C21	H21B	109.5°	109.4°
C17	C12	C13	114.8°	120.1°
C12	C17	C16	122.9°	120.1°
C12	C17	H17	118.5°	119.9°
C12	C13	C14	123.5°	120.1°
C12	C13	H13	118.2°	120.0°
C14	C13	H13	118.3°	120.0°
C13	C14	C15	119.8°	119.9°
C13	C14	H14	120.1°	120.0°
C15	C14	H14	120.1°	120.1°
C14	C15	C18	120.0°	120.0°
C14	C15	C16	118.7°	119.9°
C18	C15	C16	121.3°	120.1°
C15	C18	N19	120.6°	120.0°
C15	C16	C17	120.3°	119.9°
C15	C16	H16	119.9°	120.1°
C17	C16	H16	119.9°	120.0°
C16	C17	H17	118.6°	120.0°
C18	N19	HN19	112.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C21	C2	179.8°	179.6°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	C4	0.2°	0.0°
C1	C6	C5	C8	179.9°	179.9°
C1	C6	C5	C7	179.9°	179.9°
C1	C6	C7	O10	0.1°	0.1°
C1	C6	C7	N9	179.8°	180.0°
C6	C1	C21	H21	89.9°	90.3°
C6	C1	C21	H21A	150.1°	29.7°
C6	C1	C21	H21B	30.1°	149.7°
C21	C1	C2	C3	179.9°	179.7°
C21	C1	C2	H2	0.1°	0.4°
C21	C1	C6	C5	179.7°	179.7°
C21	C1	C6	C7	0.3°	0.3°
C1	C21	H21	H21A	120.0°	120.0°
C1	C21	H21	H21B	120.0°	120.1°
C1	C21	H21A	H21B	120.0°	120.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	H3	179.6°	180.0°
C2	C1	C6	C5	0.1°	0.1°
C2	C1	C6	C7	179.9°	180.0°
C2	C1	C21	H21	89.9°	90.1°
C2	C1	C21	H21A	30.1°	149.9°
C2	C1	C21	H21B	150.1°	30.0°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C2	C3	C4	H4	179.7°	180.0°
H2	C2	C3	C4	179.7°	179.9°
H2	C2	C3	H3	0.3°	0.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C8	179.8°	180.0°
C3	C4	C5	C6	0.0°	0.0°
H3	C3	C4	C5	179.7°	180.0°
H3	C3	C4	H4	0.3°	0.1°
C4	C5	C8	C6	179.8°	180.0°
C4	C5	C6	C7	179.9°	180.0°
C4	C5	C8	N9	180.0°	180.0°
C4	C5	C8	O11	0.1°	0.1°
H4	C4	C5	C8	0.2°	0.0°
H4	C4	C5	C6	180.0°	180.0°
C8	C5	C6	C7	0.0°	0.0°
C5	C8	N9	C7	0.2°	0.1°
C5	C8	N9	O11	179.9°	179.9°
C5	C8	N9	C12	179.2°	180.0°
C5	C6	C7	O10	179.8°	180.0°
C5	C6	C7	N9	0.1°	0.0°
C6	C5	C8	N9	0.1°	0.1°
C6	C5	C8	O11	179.9°	180.0°
C6	C7	O10	N9	179.7°	180.0°
C6	C7	N9	C8	0.2°	0.1°
C6	C7	N9	C12	179.3°	180.0°
O10	C7	N9	C8	179.9°	180.0°
O10	C7	N9	C12	1.0°	0.0°
C7	N9	C8	C12	179.0°	180.0°
C7	N9	C8	O11	179.8°	180.0°
C7	N9	C12	C17	134.2°	0.3°
C7	N9	C12	C13	44.4°	180.0°
C8	N9	C12	C17	44.6°	179.8°
C8	N9	C12	C13	136.7°	0.0°
O11	C8	N9	C12	0.8°	0.1°
N9	C12	C17	C13	178.8°	179.7°
N9	C12	C13	C14	179.4°	180.0°
N9	C12	C13	H13	0.6°	0.0°
N9	C12	C17	C16	179.6°	179.8°
N9	C12	C17	H17	0.4°	0.2°
C18	N20	HN20	HN2A	180.0°	179.9°
N20	C18	C15	C14	124.1°	180.0°
N20	C18	C15	N19	179.8°	179.9°
N20	C18	C15	C16	55.8°	0.0°
N20	C18	N19	HN19	179.8°	180.0°
HN20	N20	C18	C15	179.7°	0.1°
HN20	N20	C18	N19	0.0°	180.0°
HN2A	N20	C18	C15	0.2°	180.0°
HN2A	N20	C18	N19	180.0°	0.1°
H21	C21	H21A	H21B	120.0°	120.0°
C17	C12	C13	C14	0.6°	0.2°
C17	C12	C13	H13	179.4°	179.8°
C12	C17	C16	C15	0.6°	0.5°
C12	C17	C16	H17	180.0°	179.5°
C12	C17	C16	H16	179.4°	179.8°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	H14	179.8°	180.0°
C13	C12	C17	C16	0.9°	0.5°
C13	C12	C17	H17	179.1°	180.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C18	179.8°	180.0°
C13	C14	C15	C16	0.2°	0.0°
H13	C13	C14	C15	179.9°	180.0°
H13	C13	C14	H14	0.2°	0.0°
C14	C15	C18	C16	179.9°	180.0°
C14	C15	C16	C17	0.1°	0.2°
C14	C15	C16	H16	179.9°	180.0°
C14	C15	C18	N19	55.7°	0.0°
H14	C14	C15	C18	0.2°	0.0°
H14	C14	C15	C16	179.9°	180.0°
C18	C15	C16	C17	180.0°	179.8°
C18	C15	C16	H16	0.0°	0.0°
C15	C18	N19	HN19	0.0°	0.1°
C15	C16	C17	H16	180.0°	179.7°
C15	C16	C17	H17	179.4°	180.0°
C16	C15	C18	N19	124.4°	180.0°
H16	C16	C17	H17	0.7°	0.2°

Definition date:	2009-08-06
Last modified:	2021-03-13
Release status:	REL
Processing site:	PDBJ
Derived from:	3IK0