7DE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	N19	doub	1.22Å	1.25Å
N19	O20	sing	1.22Å	1.24Å
N19	C12	sing	1.48Å	1.37Å
C12	C13	doub	1.38Å	1.41Å	Aromatic
C12	C11	sing	1.38Å	1.41Å	Aromatic
C13	C1	sing	1.38Å	1.37Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C11	C3	doub	1.39Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C3	C2	sing	1.39Å	1.39Å	Aromatic
C3	N4	sing	1.40Å	1.36Å	Aromatic
C2	C1	doub	1.38Å	1.37Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C1	H1	sing	1.08Å	1.10Å
N4	C5	sing	1.35Å	1.32Å	Aromatic
N4	N10	sing	1.40Å	1.35Å	Aromatic
C5	C6	sing	1.51Å	1.54Å
C5	C7	doub	1.38Å	1.35Å	Aromatic
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å
C7	C8	sing	1.41Å	1.47Å	Aromatic
C7	C14	sing	1.47Å	1.47Å
C8	N10	doub	1.30Å	1.27Å	Aromatic
C8	C9	sing	1.51Å	1.50Å
C9	H91	sing	1.09Å	1.11Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å
C14	O18	doub	1.22Å	1.22Å
C14	O15	sing	1.35Å	1.35Å
O15	C16	sing	1.45Å	1.44Å
C16	C17	sing	1.53Å	1.55Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.12Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.11Å
C17	H173	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	N19	O20	123.7°	120.0°
O21	N19	C12	112.9°	120.0°
O20	N19	C12	113.7°	120.0°
N19	C12	C13	118.2°	120.0°
N19	C12	C11	121.0°	120.0°
C13	C12	C11	120.8°	120.1°
C12	C13	C1	120.3°	120.2°
C12	C13	H13	121.3°	119.9°
C12	C11	C3	117.9°	119.9°
C12	C11	H11	122.2°	120.0°
C1	C13	H13	118.5°	120.0°
C13	C1	C2	118.4°	120.1°
C13	C1	H1	120.7°	120.0°
C3	C11	H11	119.9°	120.1°
C11	C3	C2	120.1°	119.9°
C11	C3	N4	126.2°	120.0°
C2	C3	N4	113.7°	120.0°
C3	C2	C1	122.6°	119.9°
C3	C2	H2	119.5°	120.0°
C3	N4	C5	129.3°	125.8°
C3	N4	N10	120.5°	125.8°
C1	C2	H2	118.0°	120.1°
C2	C1	H1	120.9°	119.9°
C5	N4	N10	110.0°	108.4°
N4	C5	C6	125.6°	126.3°
N4	C5	C7	108.1°	107.4°
N4	N10	C8	110.3°	108.9°
C6	C5	C7	126.3°	126.3°
C5	C6	H61	106.5°	109.4°
C5	C6	H62	125.6°	109.5°
C5	C6	H63	106.5°	109.5°
C5	C7	C8	105.3°	107.1°
C5	C7	C14	127.4°	126.4°
H61	C6	H62	106.5°	109.5°
H61	C6	H63	103.1°	109.5°
H62	C6	H63	106.5°	109.5°
C8	C7	C14	127.3°	126.5°
C7	C8	N10	106.3°	108.1°
C7	C8	C9	131.4°	125.9°
C7	C14	O18	117.4°	120.0°
C7	C14	O15	116.9°	120.0°
N10	C8	C9	122.3°	126.0°
C8	C9	H91	104.6°	109.4°
C8	C9	H92	131.3°	109.5°
C8	C9	H93	104.6°	109.4°
H91	C9	H92	104.6°	109.5°
H91	C9	H93	104.4°	109.5°
H92	C9	H93	104.6°	109.5°
O18	C14	O15	122.2°	120.0°
C14	O15	C16	118.2°	120.0°
O15	C16	C17	109.7°	109.5°
O15	C16	H161	112.1°	109.4°
O15	C16	H162	112.1°	109.4°
C17	C16	H161	112.1°	109.5°
C17	C16	H162	112.1°	109.5°
C16	C17	H171	112.1°	109.4°
C16	C17	H172	109.8°	109.5°
C16	C17	H173	112.1°	109.5°
H161	C16	H162	98.3°	109.5°
H171	C17	H172	112.1°	109.4°
H171	C17	H173	98.3°	109.4°
H172	C17	H173	112.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	N19	O20	C12	143.5°	179.9°
O21	N19	C12	C13	115.1°	0.0°
O21	N19	C12	C11	62.1°	179.7°
O20	N19	C12	C13	32.4°	180.0°
O20	N19	C12	C11	150.4°	0.3°
N19	C12	C13	C11	177.2°	179.7°
N19	C12	C13	C1	176.2°	180.0°
N19	C12	C13	H13	3.8°	0.0°
N19	C12	C11	C3	177.4°	179.7°
N19	C12	C11	H11	2.6°	0.3°
C12	C13	C1	H13	180.0°	180.0°
C13	C12	C11	C3	0.2°	0.6°
C13	C12	C11	H11	179.8°	180.0°
C12	C13	C1	C2	2.1°	0.0°
C12	C13	C1	H1	177.9°	180.0°
C11	C12	C13	C1	1.0°	0.3°
C11	C12	C13	H13	179.0°	179.7°
C12	C11	C3	H11	180.0°	179.4°
C12	C11	C3	C2	0.3°	0.6°
C12	C11	C3	N4	177.1°	179.7°
C13	C1	C2	C3	2.0°	0.0°
C13	C1	C2	H1	180.0°	180.0°
C13	C1	C2	H2	178.0°	180.0°
H13	C13	C1	C2	177.9°	180.0°
H13	C13	C1	H1	2.1°	0.0°
C11	C3	C2	N4	177.8°	179.7°
C11	C3	C2	C1	0.8°	0.3°
C11	C3	C2	H2	179.2°	179.7°
C11	C3	N4	C5	78.0°	140.2°
C11	C3	N4	N10	106.5°	40.0°
H11	C11	C3	C2	179.7°	180.0°
H11	C11	C3	N4	2.9°	0.3°
C3	C2	C1	H2	180.0°	180.0°
C3	C2	C1	H1	178.0°	180.0°
C2	C3	N4	C5	104.4°	39.4°
C2	C3	N4	N10	71.1°	140.3°
N4	C3	C2	C1	178.6°	180.0°
N4	C3	C2	H2	1.4°	0.0°
C3	N4	C5	N10	175.9°	179.8°
C3	N4	C5	C6	3.8°	0.3°
C3	N4	C5	C7	176.7°	179.9°
C3	N4	N10	C8	177.4°	180.0°
H2	C2	C1	H1	2.1°	0.0°
N4	C5	C6	C7	179.5°	179.5°
N4	C5	C6	H61	54.7°	90.0°
N4	C5	C6	H62	180.0°	150.0°
N4	C5	C6	H63	54.7°	30.0°
N4	C5	C7	C8	0.3°	0.4°
N4	C5	C7	C14	179.0°	179.9°
C5	N4	N10	C8	1.1°	0.2°
N10	N4	C5	C6	179.6°	179.9°
N10	N4	C5	C7	0.8°	0.3°
N4	N10	C8	C7	0.8°	0.0°
N4	N10	C8	C9	179.4°	180.0°
C5	C6	H61	H62	136.2°	120.0°
C5	C6	H61	H63	111.9°	120.0°
C5	C6	H62	H63	125.2°	120.0°
C6	C5	C7	C8	179.8°	180.0°
C6	C5	C7	C14	0.5°	0.3°
C7	C5	C6	H61	125.8°	90.4°
C7	C5	C6	H62	0.6°	29.5°
C7	C5	C6	H63	124.7°	149.6°
C5	C7	C8	C14	179.3°	179.8°
C5	C7	C8	N10	0.3°	0.2°
C5	C7	C8	C9	179.9°	179.7°
C5	C7	C14	O18	174.8°	90.3°
C5	C7	C14	O15	25.7°	89.8°
H61	C6	H62	H63	109.5°	120.0°
C7	C8	N10	C9	179.8°	180.0°
C7	C8	C9	H91	54.7°	90.0°
C7	C8	C9	H92	180.0°	150.0°
C7	C8	C9	H93	54.7°	30.0°
C8	C7	C14	O18	6.1°	89.9°
C8	C7	C14	O15	153.5°	89.9°
C14	C7	C8	N10	179.7°	180.0°
C14	C7	C8	C9	0.6°	0.0°
C7	C14	O18	O15	158.4°	179.9°
C7	C14	O15	C16	177.1°	180.0°
N10	C8	C9	H91	125.0°	90.0°
N10	C8	C9	H92	0.3°	30.0°
N10	C8	C9	H93	125.6°	150.0°
C8	C9	H91	H92	140.7°	119.9°
C8	C9	H91	H93	109.7°	120.0°
C8	C9	H92	H93	125.3°	120.0°
H91	C9	H92	H93	109.5°	120.1°
O18	C14	O15	C16	24.4°	0.1°
C14	O15	C16	C17	160.9°	180.0°
C14	O15	C16	H161	73.8°	60.0°
C14	O15	C16	H162	35.6°	60.0°
O15	C16	C17	H161	125.3°	120.0°
O15	C16	C17	H162	125.3°	120.0°
O15	C16	H161	H162	118.0°	120.0°
O15	C16	C17	H171	54.8°	60.0°
O15	C16	C17	H172	180.0°	59.9°
O15	C16	C17	H173	54.7°	180.0°
C17	C16	H161	H162	118.0°	120.0°
C16	C17	H171	H172	123.9°	120.0°
C16	C17	H171	H173	118.0°	120.0°
C16	C17	H172	H173	125.3°	120.1°
H161	C16	C17	H171	180.0°	60.0°
H161	C16	C17	H172	54.7°	179.9°
H161	C16	C17	H173	70.6°	60.0°
H162	C16	C17	H171	70.5°	180.0°
H162	C16	C17	H172	54.7°	60.0°
H162	C16	C17	H173	180.0°	60.1°
H171	C17	H172	H173	109.5°	120.0°

Definition date:	2004-11-30
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1Y2J