58Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	O21	doub	1.21Å	1.26Å
C16	C19	sing	1.51Å	1.52Å
C19	O20	sing	1.34Å	1.25Å
O20	HO20	sing	0.97Å	0.95Å
C17	C16	sing	1.53Å	1.53Å
C15	C16	sing	1.53Å	1.53Å
C16	H16	sing	1.09Å	1.10Å
C14	C15	sing	1.53Å	1.54Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
N13	C14	sing	1.47Å	1.46Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C18	C17	sing	1.53Å	1.53Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
N13	C18	sing	1.47Å	1.45Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C12	N13	sing	1.47Å	1.47Å
C12	C11	sing	1.53Å	1.53Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
O10	C11	sing	1.43Å	1.44Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
O10	C3	sing	1.36Å	1.38Å
C3	C4	doub	1.38Å	1.40Å	Aromatic
C3	C2	sing	1.39Å	1.40Å	Aromatic
C2	C1	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	C5	sing	1.40Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C7	sing	1.46Å	1.43Å	Aromatic
C5	C6	doub	1.41Å	1.38Å	Aromatic
C7	C8	doub	1.34Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	N9	sing	1.37Å	1.37Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C6	N9	sing	1.38Å	1.36Å	Aromatic
C1	C6	sing	1.39Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C19	C16	119.7°	120.0°
O21	C19	O20	120.7°	120.0°
C16	C19	O20	119.6°	120.0°
C19	C16	C17	112.8°	109.5°
C19	C16	C15	115.6°	109.5°
C19	C16	H16	101.4°	109.5°
C19	O20	HO20	109.5°	117.0°
C17	C16	C15	105.1°	109.2°
C17	C16	H16	112.6°	109.5°
C16	C17	C18	117.6°	109.3°
C16	C17	H17	106.8°	109.5°
C16	C17	H17A	105.0°	109.5°
C15	C16	H16	109.6°	109.6°
C16	C15	C14	114.6°	109.2°
C16	C15	H15	107.8°	109.5°
C16	C15	H15A	106.6°	109.5°
C14	C15	H15	107.8°	109.5°
C14	C15	H15A	106.6°	109.5°
C15	C14	N13	109.7°	109.5°
C15	C14	H14	109.4°	109.4°
C15	C14	H14A	109.3°	109.4°
H15	C15	H15A	113.6°	109.5°
N13	C14	H14	109.4°	109.4°
N13	C14	H14A	109.3°	109.5°
C14	N13	C18	119.3°	111.2°
C14	N13	C12	122.4°	111.0°
H14	C14	H14A	109.7°	109.5°
C18	C17	H17	106.9°	109.5°
C18	C17	H17A	105.0°	109.5°
C17	C18	N13	110.0°	109.5°
C17	C18	H18	109.3°	109.5°
C17	C18	H18A	109.2°	109.4°
H17	C17	H17A	116.1°	109.5°
N13	C18	H18	109.3°	109.4°
N13	C18	H18A	109.1°	109.4°
C18	N13	C12	118.2°	111.0°
H18	C18	H18A	109.9°	109.5°
N13	C12	C11	109.3°	109.5°
N13	C12	H12	109.5°	109.4°
N13	C12	H12A	109.6°	109.5°
C11	C12	H12	109.5°	109.5°
C11	C12	H12A	109.6°	109.5°
C12	C11	O10	114.9°	109.5°
C12	C11	H11	107.7°	109.5°
C12	C11	H11A	106.5°	109.5°
H12	C12	H12A	109.3°	109.5°
O10	C11	H11	107.7°	109.5°
O10	C11	H11A	106.5°	109.5°
C11	O10	C3	116.4°	117.0°
H11	C11	H11A	113.8°	109.4°
O10	C3	C4	121.9°	119.9°
O10	C3	C2	119.6°	119.9°
C4	C3	C2	118.5°	120.3°
C3	C4	C5	120.2°	119.7°
C3	C4	H4	119.9°	120.2°
C3	C2	C1	121.1°	120.6°
C3	C2	H2	119.4°	119.7°
C1	C2	H2	119.5°	119.7°
C2	C1	C6	119.7°	120.0°
C2	C1	H1	120.1°	120.0°
C5	C4	H4	119.9°	120.2°
C4	C5	C7	128.8°	134.0°
C4	C5	C6	120.5°	119.9°
C7	C5	C6	110.7°	106.1°
C5	C7	C8	103.8°	107.0°
C5	C7	H7	128.1°	126.5°
C5	C6	N9	105.4°	107.1°
C5	C6	C1	120.0°	119.5°
C8	C7	H7	128.1°	126.5°
C7	C8	N9	109.3°	109.9°
C7	C8	H8	125.4°	125.1°
N9	C8	H8	125.4°	125.0°
C8	N9	C6	110.9°	109.9°
C8	N9	HN9	124.6°	125.1°
N9	C6	C1	134.6°	133.4°
C6	N9	HN9	124.5°	125.1°
C6	C1	H1	120.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C19	C16	O20	179.4°	179.8°
O21	C19	O20	HO20	0.0°	0.1°
O21	C19	C16	C17	50.7°	119.9°
O21	C19	C16	C15	171.6°	0.2°
O21	C19	C16	H16	69.9°	120.0°
C16	C19	O20	HO20	179.4°	179.8°
C19	C16	C17	C15	126.7°	119.9°
C19	C16	C17	H16	114.0°	120.1°
C19	C16	C15	H16	113.8°	120.2°
C19	C16	C15	C14	69.8°	177.5°
C19	C16	C15	H15	50.2°	57.6°
C19	C16	C15	H15A	172.5°	62.5°
C19	C16	C17	C18	73.7°	177.5°
C19	C16	C17	H17	166.3°	62.5°
C19	C16	C17	H17A	42.5°	57.6°
O20	C19	C16	C17	129.8°	59.9°
O20	C19	C16	C15	8.9°	179.6°
O20	C19	C16	H16	109.5°	60.2°
C17	C16	C15	H16	121.2°	120.0°
C17	C16	C15	C14	55.2°	57.6°
C17	C16	C15	H15	175.2°	62.3°
C17	C16	C15	H15A	62.5°	177.6°
C16	C17	C18	H17	120.0°	120.0°
C16	C17	C18	H17A	116.2°	119.9°
C16	C17	H17	H17A	116.7°	120.1°
C16	C17	C18	N13	48.3°	59.1°
C16	C17	C18	H18	168.2°	60.8°
C16	C17	C18	H18A	71.5°	179.2°
C16	C15	C14	H15	120.0°	119.9°
C16	C15	C14	H15A	117.7°	119.9°
C16	C15	H15	H15A	117.9°	120.1°
C16	C15	C14	N13	54.2°	59.2°
C16	C15	C14	H14	65.8°	179.2°
C16	C15	C14	H14A	174.1°	60.8°
C15	C16	C17	C18	53.0°	57.6°
C15	C16	C17	H17	67.0°	177.6°
C15	C16	C17	H17A	169.2°	62.3°
H16	C16	C15	C14	176.4°	62.3°
H16	C16	C15	H15	63.5°	177.8°
H16	C16	C15	H15A	58.7°	57.6°
H16	C16	C17	C18	172.3°	62.4°
H16	C16	C17	H17	52.3°	57.6°
H16	C16	C17	H17A	71.5°	177.7°
C14	C15	H15	H15A	117.9°	120.1°
C15	C14	N13	H14	120.0°	120.0°
C15	C14	N13	H14A	119.9°	120.0°
C15	C14	H14	H14A	119.9°	120.0°
C15	C14	N13	C18	48.7°	61.8°
C15	C14	N13	C12	133.3°	174.1°
H15	C15	C14	N13	174.2°	60.7°
H15	C15	C14	H14	54.2°	59.2°
H15	C15	C14	H14A	65.9°	179.3°
H15A	C15	C14	N13	63.5°	179.1°
H15A	C15	C14	H14	176.5°	60.9°
H15A	C15	C14	H14A	56.4°	59.1°
N13	C14	H14	H14A	119.9°	120.0°
C14	N13	C18	C17	45.3°	61.8°
C14	N13	C18	C12	178.0°	124.1°
C14	N13	C18	H18	165.3°	58.3°
C14	N13	C18	H18A	74.4°	178.2°
C14	N13	C12	C11	16.3°	176.3°
C14	N13	C12	H12	103.7°	63.6°
C14	N13	C12	H12A	136.4°	56.3°
H14	C14	N13	C18	71.3°	178.3°
H14	C14	N13	C12	106.7°	54.2°
H14A	C14	N13	C18	168.6°	58.2°
H14A	C14	N13	C12	13.4°	65.9°
C18	C17	H17	H17A	116.7°	120.1°
C17	C18	N13	H18	120.0°	120.0°
C17	C18	N13	H18A	119.8°	120.0°
C17	C18	H18	H18A	119.8°	120.0°
C17	C18	N13	C12	136.6°	174.1°
H17	C17	C18	N13	71.7°	179.1°
H17	C17	C18	H18	48.3°	59.1°
H17	C17	C18	H18A	168.5°	60.9°
H17A	C17	C18	N13	164.5°	60.8°
H17A	C17	C18	H18	75.6°	179.2°
H17A	C17	C18	H18A	44.7°	59.2°
N13	C18	H18	H18A	119.7°	119.9°
C18	N13	C12	C11	161.7°	52.2°
C18	N13	C12	H12	78.3°	172.2°
C18	N13	C12	H12A	41.6°	67.8°
H18	C18	N13	C12	16.6°	65.8°
H18A	C18	N13	C12	103.6°	54.1°
N13	C12	C11	H12	120.0°	120.0°
N13	C12	C11	H12A	120.1°	120.0°
N13	C12	H12	H12A	120.1°	120.0°
N13	C12	C11	O10	150.0°	62.3°
N13	C12	C11	H11	30.0°	177.7°
N13	C12	C11	H11A	92.4°	57.7°
C11	C12	H12	H12A	120.1°	120.0°
C12	C11	O10	H11	120.0°	120.0°
C12	C11	O10	H11A	117.6°	120.1°
C12	C11	H11	H11A	117.8°	120.0°
C12	C11	O10	C3	137.9°	180.0°
H12	C12	C11	O10	90.0°	57.7°
H12	C12	C11	H11	150.0°	62.3°
H12	C12	C11	H11A	27.6°	177.7°
H12A	C12	C11	O10	29.9°	177.7°
H12A	C12	C11	H11	90.0°	57.7°
H12A	C12	C11	H11A	147.5°	62.3°
O10	C11	H11	H11A	117.8°	120.0°
C11	O10	C3	C4	89.3°	180.0°
C11	O10	C3	C2	89.2°	0.2°
H11	C11	O10	C3	17.9°	60.0°
H11A	C11	O10	C3	104.5°	59.9°
O10	C3	C4	C2	178.4°	179.8°
O10	C3	C2	C1	179.0°	180.0°
O10	C3	C2	H2	1.1°	0.0°
O10	C3	C4	C5	178.7°	180.0°
O10	C3	C4	H4	1.3°	0.0°
C4	C3	C2	C1	0.5°	0.2°
C4	C3	C2	H2	179.5°	179.7°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C7	179.6°	180.0°
C3	C4	C5	C6	0.1°	0.0°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	C5	0.3°	0.2°
C2	C3	C4	H4	179.7°	179.8°
C3	C2	C1	C6	0.5°	0.0°
C3	C2	C1	H1	179.5°	180.0°
C2	C1	C6	C5	0.3°	0.2°
C2	C1	C6	N9	179.8°	180.0°
C2	C1	C6	H1	180.0°	180.0°
H2	C2	C1	C6	179.5°	180.0°
H2	C2	C1	H1	0.5°	0.0°
C4	C5	C7	C6	179.5°	180.0°
C4	C5	C7	C8	180.0°	180.0°
C4	C5	C7	H7	0.0°	0.0°
C4	C5	C6	N9	180.0°	180.0°
C4	C5	C6	C1	0.1°	0.2°
H4	C4	C5	C7	0.4°	0.0°
H4	C4	C5	C6	179.9°	180.0°
C5	C7	C8	H7	180.0°	180.0°
C5	C7	C8	N9	0.4°	0.0°
C5	C7	C8	H8	179.6°	179.9°
C7	C5	C6	N9	0.4°	0.0°
C7	C5	C6	C1	179.7°	179.8°
C6	C5	C7	C8	0.5°	0.0°
C6	C5	C7	H7	179.5°	180.0°
C5	C6	N9	C8	0.2°	0.0°
C5	C6	N9	C1	179.9°	179.8°
C5	C6	C1	H1	179.7°	179.8°
C5	C6	N9	HN9	179.8°	180.0°
C7	C8	N9	H8	180.0°	179.9°
C7	C8	N9	C6	0.1°	0.0°
C7	C8	N9	HN9	179.9°	180.0°
H7	C7	C8	N9	179.6°	180.0°
H7	C7	C8	H8	0.4°	0.1°
C8	N9	C6	HN9	180.0°	179.9°
C8	N9	C6	C1	179.9°	179.7°
H8	C8	N9	C6	179.9°	179.9°
H8	C8	N9	HN9	0.1°	0.0°
N9	C6	C1	H1	0.2°	0.0°
C1	C6	N9	HN9	0.1°	0.2°

Definition date:	2009-01-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3FUK