AGE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C12	sing	1.38Å	1.42Å	Aromatic
C2	C1	doub	1.38Å	1.46Å	Aromatic
C2	C3	sing	1.38Å	1.47Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
N2	O1	sing	1.42Å	1.32Å
C4	C5	sing	1.38Å	1.48Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C7	sing	1.51Å	1.56Å
C6	C5	doub	1.38Å	1.48Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
O2	C16	doub	1.22Å	1.22Å
C1	C6	sing	1.38Å	1.47Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	C4	doub	1.38Å	1.46Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C7	C8	sing	1.51Å	1.58Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	O3	doub	1.21Å	1.21Å
C9	C8	sing	1.47Å	1.54Å
C9	C13	sing	1.42Å	1.45Å	Aromatic
C10	N1	sing	1.34Å	1.36Å	Aromatic
C10	C9	doub	1.39Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	N1	sing	1.46Å	1.48Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C12	C14	sing	1.46Å	1.52Å
C12	C13	doub	1.37Å	1.41Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	doub	1.36Å	1.40Å
C14	H14	sing	1.08Å	1.08Å
C15	C16	sing	1.42Å	1.54Å
C15	H15	sing	1.08Å	1.08Å
C16	N2	sing	1.35Å	1.36Å
N2	H151	sing	0.97Å	1.00Å
O1	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	N1	C10	114.9°	109.2°
C12	N1	C11	124.8°	125.4°
N1	C12	C14	126.5°	125.8°
N1	C12	C13	102.3°	108.4°
C1	C2	C3	119.4°	120.0°
C1	C2	H2	120.3°	120.0°
C2	C1	C6	120.1°	120.0°
C2	C1	H1	119.9°	120.0°
C3	C2	H2	120.3°	120.1°
C2	C3	C4	119.7°	120.0°
C2	C3	H3	120.2°	120.0°
O1	N2	C16	121.6°	120.0°
O1	N2	H151	119.2°	120.0°
N2	O1	H16	109.5°	114.0°
C5	C4	H4	118.6°	120.0°
C4	C5	C7	114.0°	120.0°
C4	C5	C6	116.3°	120.0°
C5	C4	C3	122.7°	120.0°
H4	C4	C3	118.6°	120.0°
C7	C5	C6	129.7°	120.0°
C5	C7	C8	136.8°	109.5°
C5	C7	H7	101.2°	109.5°
C5	C7	H7A	95.0°	109.5°
C5	C6	H6	119.1°	119.9°
C5	C6	C1	121.7°	120.0°
H6	C6	C1	119.2°	120.0°
O2	C16	C15	124.9°	120.0°
O2	C16	N2	119.6°	120.0°
C6	C1	H1	119.9°	120.0°
C4	C3	H3	120.1°	120.0°
C8	C7	H7	101.2°	109.5°
C8	C7	H7A	95.0°	109.5°
C7	C8	O3	118.7°	120.0°
C7	C8	C9	126.8°	120.0°
H7	C7	H7A	134.4°	109.4°
O3	C8	C9	114.5°	120.0°
C8	C9	C13	128.6°	126.5°
C8	C9	C10	123.6°	126.5°
C13	C9	C10	107.8°	107.0°
C9	C13	C12	109.4°	107.0°
C9	C13	H13	125.3°	126.5°
N1	C10	C9	105.6°	108.4°
N1	C10	H10	127.2°	125.8°
C10	N1	C11	120.3°	125.4°
C9	C10	H10	127.2°	125.8°
N1	C11	H11	109.5°	109.4°
N1	C11	H11A	109.5°	109.5°
N1	C11	H11B	109.5°	109.5°
H11	C11	H11A	109.5°	109.5°
H11	C11	H11B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.5°
C14	C12	C13	131.1°	125.8°
C12	C14	C15	131.5°	120.0°
C12	C14	H14	114.3°	120.0°
C12	C13	H13	125.3°	126.5°
C15	C14	H14	114.2°	120.0°
C14	C15	C16	122.0°	120.0°
C14	C15	H15	119.0°	120.0°
C16	C15	H15	119.1°	120.0°
C15	C16	N2	115.4°	120.0°
C16	N2	H151	119.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C12	C13	C9	0.2°	0.1°
C12	N1	C10	C11	179.9°	179.7°
C12	N1	C10	C9	0.1°	0.0°
C12	N1	C10	H10	179.9°	179.9°
C12	N1	C11	H11	70.3°	84.9°
C12	N1	C11	H11A	169.7°	155.1°
C12	N1	C11	H11B	49.7°	35.1°
N1	C12	C14	C13	179.9°	179.9°
N1	C12	C13	H13	179.8°	180.0°
N1	C12	C14	C15	179.9°	174.8°
N1	C12	C14	H14	0.1°	5.3°
C1	C2	C3	H2	180.0°	179.8°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	H6	179.9°	180.0°
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	H3	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C4	H4	179.9°	179.9°
C3	C2	C1	C6	0.1°	0.1°
C3	C2	C1	H1	179.9°	180.0°
C2	C3	C4	H3	180.0°	179.9°
H2	C2	C1	C6	179.9°	179.8°
H2	C2	C1	H1	0.2°	0.2°
H2	C2	C3	C4	180.0°	179.8°
H2	C2	C3	H3	0.0°	0.2°
O1	N2	C16	O2	0.1°	0.0°
O1	N2	C16	C15	179.8°	180.0°
O1	N2	C16	H151	180.0°	180.0°
C5	C4	H4	C3	180.0°	180.0°
C4	C5	C7	C6	180.0°	180.0°
C4	C5	C6	H6	180.0°	180.0°
C4	C5	C6	C1	0.0°	0.0°
C5	C4	C3	H3	179.9°	180.0°
C4	C5	C7	C8	179.5°	89.9°
C4	C5	C7	H7	60.6°	150.0°
C4	C5	C7	H7A	76.6°	30.0°
H4	C4	C5	C7	0.1°	0.0°
H4	C4	C5	C6	179.9°	180.0°
H4	C4	C3	H3	0.1°	0.0°
C7	C5	C6	H6	0.0°	0.0°
C7	C5	C6	C1	180.0°	180.0°
C7	C5	C4	C3	179.9°	180.0°
C5	C7	C8	H7	120.0°	120.1°
C5	C7	C8	H7A	102.9°	120.0°
C5	C7	H7	H7A	108.6°	120.0°
C5	C7	C8	O3	179.6°	0.0°
C5	C7	C8	C9	0.8°	180.0°
C5	C6	H6	C1	180.0°	180.0°
C5	C6	C1	H1	179.8°	180.0°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C7	C8	0.5°	90.1°
C6	C5	C7	H7	119.4°	30.0°
C6	C5	C7	H7A	103.4°	150.0°
H6	C6	C1	H1	0.1°	0.1°
O2	C16	C15	C14	0.1°	0.0°
O2	C16	C15	N2	179.7°	180.0°
O2	C16	C15	H15	179.9°	180.0°
O2	C16	N2	H151	179.9°	180.0°
C8	C7	H7	H7A	108.5°	120.0°
C7	C8	O3	C9	179.6°	179.9°
C7	C8	C9	C13	112.9°	0.1°
C7	C8	C9	C10	67.6°	180.0°
H7	C7	C8	O3	59.6°	120.0°
H7	C7	C8	C9	120.8°	59.9°
H7A	C7	C8	O3	77.6°	120.0°
H7A	C7	C8	C9	102.0°	60.1°
O3	C8	C9	C13	67.5°	180.0°
O3	C8	C9	C10	112.0°	0.1°
C8	C9	C13	C10	179.5°	179.9°
C8	C9	C10	N1	179.6°	180.0°
C8	C9	C10	H10	0.4°	0.1°
C8	C9	C13	C12	179.7°	180.0°
C8	C9	C13	H13	0.4°	0.1°
C13	C9	C10	N1	0.0°	0.0°
C13	C9	C10	H10	180.0°	180.0°
C9	C13	C12	C14	179.9°	180.0°
C9	C13	C12	H13	180.0°	179.9°
N1	C10	C9	H10	180.0°	179.9°
C10	N1	C11	H11	109.6°	95.5°
C10	N1	C11	H11A	10.4°	24.5°
C10	N1	C11	H11B	130.4°	144.5°
C10	N1	C12	C14	179.9°	180.0°
C10	N1	C12	C13	0.2°	0.0°
C9	C10	N1	C11	179.8°	179.7°
C10	C9	C13	C12	0.2°	0.1°
C10	C9	C13	H13	179.9°	180.0°
H10	C10	N1	C11	0.2°	0.2°
N1	C11	H11	H11A	120.0°	120.0°
N1	C11	H11	H11B	120.0°	120.0°
N1	C11	H11A	H11B	120.0°	120.0°
C11	N1	C12	C14	0.2°	0.3°
C11	N1	C12	C13	179.7°	179.7°
H11	C11	H11A	H11B	120.0°	120.0°
C14	C12	C13	H13	0.1°	0.1°
C12	C14	C15	H14	180.0°	179.9°
C12	C14	C15	C16	179.6°	174.8°
C12	C14	C15	H15	0.4°	5.3°
C13	C12	C14	C15	0.2°	5.1°
C13	C12	C14	H14	179.8°	174.8°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	N2	179.6°	180.0°
H14	C14	C15	C16	0.4°	5.1°
H14	C14	C15	H15	179.6°	174.8°
C15	C16	N2	H151	0.2°	0.0°
H15	C15	C16	N2	0.4°	0.0°
C16	N2	O1	H16	113.3°	180.0°
H151	N2	O1	H16	66.7°	0.0°

Definition date:	2008-11-03
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3F07