517

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N22	C21	sing	1.35Å	1.33Å
N22	C24	sing	1.37Å	1.33Å
N22	HN22	sing	1.01Å	1.00Å
C24	C25	doub	1.38Å	1.33Å
C24	H24	sing	1.08Å	1.08Å
C25	C26	sing	1.42Å	1.33Å
C25	H25	sing	1.08Å	1.08Å
C26	C21	doub	1.35Å	1.34Å
C26	H26	sing	1.08Å	1.08Å
C21	C19	sing	1.52Å	1.42Å
C19	C5	sing	1.48Å	1.46Å
C19	C20	sing	1.53Å	1.54Å
C19	H19	sing	1.10Å	1.10Å
C20	H201	sing	1.10Å	1.10Å
C20	H202	sing	1.10Å	1.10Å
C20	H203	sing	1.10Å	1.10Å
C5	C7	doub	1.33Å	1.41Å
C5	C3	sing	1.49Å	1.40Å
C7	C6	sing	1.46Å	1.41Å	Aromatic
C7	C8	sing	1.43Å	1.42Å	Aromatic
C8	C9	doub	1.35Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C3	N1	sing	1.38Å	1.33Å
C3	O4	doub	1.22Å	1.23Å
N1	C6	doub	1.29Å	1.34Å
C6	C11	sing	1.48Å	1.40Å	Aromatic
C11	C10	doub	1.34Å	1.40Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C10	C9	sing	1.46Å	1.41Å	Aromatic
C10	H10	sing	1.09Å	1.08Å
C9	N12	sing	1.37Å	1.36Å
N12	C14	sing	1.39Å	1.36Å
N12	HN12	sing	1.01Å	1.00Å
C14	O15	doub	1.23Å	1.24Å
C14	N16	sing	1.38Å	1.33Å
N16	H161	sing	1.01Å	1.00Å
N16	H162	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	N22	C24	108.7°	108.0°
C21	N22	HN22	125.7°	127.0°
N22	C21	C26	106.8°	110.9°
N22	C21	C19	127.6°	119.8°
C24	N22	HN22	125.7°	125.0°
N22	C24	C25	108.0°	107.8°
N22	C24	H24	126.0°	120.7°
C25	C24	H24	126.0°	131.5°
C24	C25	C26	108.0°	107.4°
C24	C25	H25	126.0°	125.6°
C26	C25	H25	126.0°	127.1°
C25	C26	C21	108.6°	105.9°
C25	C26	H26	125.7°	126.7°
C21	C26	H26	125.7°	127.3°
C26	C21	C19	125.6°	129.3°
C21	C19	C5	123.6°	111.6°
C21	C19	C20	116.4°	111.9°
C21	C19	H19	91.8°	108.5°
C5	C19	C20	120.0°	110.5°
C5	C19	H19	34.7°	106.9°
C19	C5	C7	126.8°	130.7°
C19	C5	C3	127.7°	122.3°
C20	C19	H19	148.7°	107.2°
C19	C20	H201	109.5°	110.3°
C19	C20	H202	109.5°	111.8°
C19	C20	H203	109.5°	111.6°
H201	C20	H202	109.5°	107.1°
H201	C20	H203	109.5°	108.0°
H202	C20	H203	109.5°	107.9°
C7	C5	C3	105.4°	106.9°
C5	C7	C6	106.1°	104.3°
C5	C7	C8	134.8°	134.4°
C5	C3	N1	110.2°	108.7°
C5	C3	O4	126.8°	124.1°
C6	C7	C8	119.1°	121.3°
C7	C6	N1	109.0°	114.4°
C7	C6	C11	120.0°	117.3°
C7	C8	C9	121.0°	118.9°
C7	C8	H8	119.5°	119.2°
C9	C8	H8	119.5°	121.9°
C8	C9	C10	119.0°	121.0°
C8	C9	N12	118.3°	121.2°
N1	C3	O4	122.9°	127.2°
C3	N1	C6	109.3°	105.7°
N1	C6	C11	131.0°	128.3°
C6	C11	C10	120.4°	118.3°
C6	C11	H11	119.8°	119.3°
C10	C11	H11	119.8°	122.4°
C11	C10	C9	120.5°	123.1°
C11	C10	H10	119.7°	119.0°
C9	C10	H10	119.8°	117.9°
C10	C9	N12	122.7°	117.8°
C9	N12	C14	126.9°	123.9°
C9	N12	HN12	116.6°	117.2°
C14	N12	HN12	116.5°	119.0°
N12	C14	O15	123.8°	125.6°
N12	C14	N16	115.7°	111.7°
O15	C14	N16	120.4°	122.7°
C14	N16	H161	112.5°	119.5°
C14	N16	H162	123.8°	121.1°
H161	N16	H162	123.7°	119.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	N22	C24	HN22	180.0°	180.0°
C21	N22	C24	C25	0.2°	0.1°
C21	N22	C24	H24	179.8°	180.0°
N22	C21	C26	C25	0.2°	0.1°
N22	C21	C26	C19	178.8°	179.8°
N22	C21	C26	H26	179.7°	179.9°
N22	C21	C19	C5	1.1°	87.3°
N22	C21	C19	C20	180.0°	148.3°
N22	C21	C19	H19	13.8°	30.2°
N22	C24	C25	H24	180.0°	179.9°
N22	C24	C25	C26	0.0°	0.1°
N22	C24	C25	H25	180.0°	179.9°
C24	N22	C21	C26	0.3°	0.1°
C24	N22	C21	C19	178.5°	179.9°
HN22	N22	C24	C25	179.9°	179.9°
HN22	N22	C24	H24	0.2°	0.0°
HN22	N22	C21	C26	179.8°	179.9°
HN22	N22	C21	C19	1.4°	0.1°
C24	C25	C26	H25	180.0°	180.0°
C24	C25	C26	C21	0.1°	0.0°
C24	C25	C26	H26	179.8°	180.0°
H24	C24	C25	C26	180.0°	180.0°
H24	C24	C25	H25	0.1°	0.0°
C25	C26	C21	H26	180.0°	180.0°
C25	C26	C21	C19	178.6°	179.9°
H25	C25	C26	C21	179.9°	180.0°
H25	C25	C26	H26	0.1°	0.0°
C26	C21	C19	C5	177.5°	92.5°
C26	C21	C19	C20	1.5°	32.0°
C26	C21	C19	H19	167.6°	150.0°
H26	C26	C21	C19	1.4°	0.1°
C21	C19	C5	C20	178.9°	125.2°
C21	C19	C5	H19	26.9°	118.5°
C21	C19	C20	H19	152.5°	118.8°
C21	C19	C20	H201	104.4°	176.7°
C21	C19	C20	H202	135.6°	64.3°
C21	C19	C20	H203	15.6°	56.6°
C21	C19	C5	C7	174.1°	118.4°
C21	C19	C5	C3	5.4°	61.5°
C5	C19	C20	H19	28.5°	116.2°
C5	C19	C20	H201	76.6°	58.3°
C5	C19	C20	H202	43.4°	60.7°
C5	C19	C20	H203	163.4°	178.4°
C19	C5	C7	C3	179.5°	180.0°
C19	C5	C7	C6	179.3°	180.0°
C19	C5	C7	C8	0.4°	0.0°
C19	C5	C3	N1	179.3°	180.0°
C19	C5	C3	O4	3.3°	0.1°
C19	C20	H201	H202	120.0°	121.9°
C19	C20	H201	H203	120.0°	122.2°
C19	C20	H202	H203	120.0°	123.1°
C20	C19	C5	C7	7.0°	116.4°
C20	C19	C5	C3	173.5°	63.6°
H19	C19	C20	H201	48.0°	57.9°
H19	C19	C20	H202	71.9°	176.9°
H19	C19	C20	H203	168.1°	62.2°
H19	C19	C5	C7	147.2°	0.0°
H19	C19	C5	C3	32.3°	180.0°
H201	C20	H202	H203	120.0°	116.1°
C5	C7	C6	C8	179.1°	180.0°
C5	C7	C8	C9	178.4°	180.0°
C5	C7	C8	H8	1.6°	0.1°
C7	C5	C3	N1	0.2°	0.0°
C7	C5	C3	O4	177.2°	179.9°
C5	C7	C6	N1	0.2°	0.0°
C5	C7	C6	C11	179.0°	180.0°
C3	C5	C7	C6	0.2°	0.0°
C3	C5	C7	C8	179.1°	180.0°
C5	C3	N1	O4	177.5°	179.9°
C5	C3	N1	C6	0.1°	0.0°
C6	C7	C8	C9	0.4°	0.0°
C6	C7	C8	H8	179.6°	179.9°
C7	C6	N1	C3	0.1°	0.0°
C7	C6	N1	C11	179.1°	179.9°
C7	C6	C11	C10	0.1°	0.1°
C7	C6	C11	H11	179.9°	180.0°
C7	C8	C9	H8	180.0°	179.9°
C8	C7	C6	N1	179.3°	180.0°
C8	C7	C6	C11	0.1°	0.0°
C7	C8	C9	C10	0.5°	0.0°
C7	C8	C9	N12	179.4°	180.0°
C8	C9	C10	C11	0.2°	0.0°
C8	C9	C10	N12	178.9°	180.0°
C8	C9	C10	H10	179.8°	180.0°
C8	C9	N12	C14	178.6°	30.0°
C8	C9	N12	HN12	1.5°	150.0°
H8	C8	C9	C10	179.5°	179.9°
H8	C8	C9	N12	0.6°	0.1°
C3	N1	C6	C11	179.0°	180.0°
O4	C3	N1	C6	177.4°	179.9°
N1	C6	C11	C10	178.8°	180.0°
N1	C6	C11	H11	1.2°	0.1°
C6	C11	C10	H11	180.0°	180.0°
C6	C11	C10	C9	0.1°	0.0°
C6	C11	C10	H10	179.9°	180.0°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	N12	179.1°	180.0°
H11	C11	C10	C9	179.9°	180.0°
H11	C11	C10	H10	0.1°	0.0°
C10	C9	N12	C14	2.5°	150.0°
C10	C9	N12	HN12	177.4°	30.0°
H10	C10	C9	N12	0.9°	0.0°
C9	N12	C14	HN12	180.0°	180.0°
C9	N12	C14	O15	4.0°	0.1°
C9	N12	C14	N16	179.2°	180.0°
N12	C14	O15	N16	176.6°	179.9°
N12	C14	N16	H161	1.4°	0.1°
N12	C14	N16	H162	178.6°	179.8°
HN12	N12	C14	O15	176.0°	180.0°
HN12	N12	C14	N16	0.8°	0.0°
O15	C14	N16	H161	178.3°	179.9°
O15	C14	N16	H162	1.7°	0.1°
C14	N16	H161	H162	180.0°	179.9°

Definition date:	2007-04-04
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB