Obsolete: 577

577 was replaced with SB2 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C2	sing	1.36Å	1.31Å	Aromatic
N2	C5	sing	1.38Å	1.44Å	Aromatic
N2	HN2	sing	0.97Å	1.02Å
C2	N1	doub	1.31Å	1.31Å	Aromatic
C2	C1	sing	1.48Å	1.50Å
N1	C4	sing	1.34Å	1.44Å	Aromatic
C4	C5	doub	1.39Å	1.35Å	Aromatic
C4	C13	sing	1.48Å	1.48Å
C5	C7	sing	1.48Å	1.48Å
C14	C7	doub	1.40Å	1.39Å	Aromatic
C14	C18	sing	1.38Å	1.40Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C7	C16	sing	1.40Å	1.38Å	Aromatic
C16	C10	doub	1.38Å	1.39Å	Aromatic
C16	H16	sing	1.08Å	1.10Å
C10	N5	sing	1.32Å	1.33Å	Aromatic
C10	H10	sing	1.08Å	1.10Å
N5	C18	doub	1.32Å	1.33Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C15	C8	doub	1.39Å	1.37Å	Aromatic
C15	C19	sing	1.38Å	1.37Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C8	C17	sing	1.39Å	1.37Å	Aromatic
C8	F1	sing	1.35Å	1.31Å
C17	C11	doub	1.38Å	1.37Å	Aromatic
C17	H17	sing	1.08Å	1.10Å
C11	C13	sing	1.39Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.10Å
C13	C19	doub	1.39Å	1.38Å	Aromatic
C19	H19	sing	1.08Å	1.10Å
C1	C9	doub	1.40Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.38Å	Aromatic
C9	C3	sing	1.38Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C3	C12	doub	1.38Å	1.38Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C12	C20	sing	1.38Å	1.37Å	Aromatic
C12	S1	sing	1.76Å	1.72Å
C20	C6	doub	1.38Å	1.37Å	Aromatic
C20	H20	sing	1.08Å	1.10Å
C6	H6	sing	1.08Å	1.10Å
S1	O1	doub	1.42Å	1.49Å
S1	C21	sing	1.81Å	1.73Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.12Å
C21	H213	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N2	C5	106.3°	107.2°
C2	N2	HN2	123.3°	126.4°
N2	C2	N1	112.5°	109.2°
N2	C2	C1	126.0°	125.4°
C5	N2	HN2	130.4°	126.5°
N2	C5	C4	106.7°	106.4°
N2	C5	C7	121.9°	126.8°
N1	C2	C1	121.5°	125.4°
C2	N1	C4	106.0°	109.6°
C2	C1	C9	121.1°	120.2°
C2	C1	C6	121.1°	120.2°
N1	C4	C5	107.0°	107.7°
N1	C4	C13	121.8°	126.2°
C5	C4	C13	131.1°	126.1°
C4	C5	C7	131.2°	126.8°
C4	C13	C11	119.2°	120.1°
C4	C13	C19	122.5°	120.1°
C5	C7	C14	121.7°	120.9°
C5	C7	C16	121.4°	120.9°
C7	C14	C18	119.6°	118.9°
C7	C14	H14	120.0°	120.5°
C14	C7	C16	116.8°	118.1°
C18	C14	H14	120.4°	120.5°
C14	C18	N5	124.0°	121.0°
C14	C18	H18	120.8°	119.5°
C7	C16	C10	118.8°	118.9°
C7	C16	H16	120.2°	120.5°
C10	C16	H16	120.9°	120.5°
C16	C10	N5	125.3°	120.9°
C16	C10	H10	119.7°	119.5°
N5	C10	H10	115.1°	119.5°
C10	N5	C18	115.5°	122.1°
N5	C18	H18	115.2°	119.5°
C8	C15	C19	119.1°	120.1°
C8	C15	H15	120.0°	119.9°
C15	C8	C17	121.3°	120.2°
C15	C8	F1	117.5°	119.9°
C19	C15	H15	120.9°	120.0°
C15	C19	C13	120.9°	119.9°
C15	C19	H19	119.2°	120.1°
C17	C8	F1	119.8°	119.8°
C8	C17	C11	118.9°	120.1°
C8	C17	H17	120.8°	119.9°
C11	C17	H17	120.3°	120.0°
C17	C11	C13	121.4°	119.9°
C17	C11	H11	118.8°	120.0°
C13	C11	H11	119.8°	120.0°
C11	C13	C19	118.3°	119.8°
C13	C19	H19	119.9°	120.0°
C9	C1	C6	117.8°	119.6°
C1	C9	C3	120.9°	119.9°
C1	C9	H9	119.5°	120.0°
C1	C6	C20	120.8°	119.9°
C1	C6	H6	119.8°	120.1°
C3	C9	H9	119.7°	120.1°
C9	C3	C12	120.5°	120.2°
C9	C3	H3	120.2°	120.0°
C12	C3	H3	119.3°	119.9°
C3	C12	C20	118.1°	120.2°
C3	C12	S1	122.0°	119.9°
C20	C12	S1	119.7°	119.9°
C12	C20	C6	121.9°	120.1°
C12	C20	H20	118.9°	119.9°
C12	S1	O1	111.8°	100.0°
C12	S1	C21	128.5°	100.0°
C6	C20	H20	119.2°	119.9°
C20	C6	H6	119.4°	120.0°
O1	S1	C21	119.7°	109.5°
S1	C21	H211	128.5°	109.5°
S1	C21	H212	105.6°	109.5°
S1	C21	H213	105.6°	109.5°
H211	C21	H212	105.6°	109.4°
H211	C21	H213	105.5°	109.4°
H212	C21	H213	103.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N2	C5	HN2	180.0°	180.0°
N2	C2	N1	C1	179.1°	179.8°
N2	C2	N1	C4	12.5°	0.4°
C2	N2	C5	C4	6.6°	0.0°
C2	N2	C5	C7	170.4°	179.9°
N2	C2	C1	C9	136.3°	140.3°
N2	C2	C1	C6	43.1°	39.7°
C5	N2	C2	N1	12.2°	0.3°
C5	N2	C2	C1	166.9°	180.0°
N2	C5	C4	N1	0.7°	0.2°
N2	C5	C4	C7	176.6°	179.9°
N2	C5	C4	C13	174.8°	179.9°
N2	C5	C7	C14	46.1°	47.2°
N2	C5	C7	C16	131.4°	133.0°
HN2	N2	C2	N1	167.9°	179.7°
HN2	N2	C2	C1	13.1°	0.0°
HN2	N2	C5	C4	173.5°	180.0°
HN2	N2	C5	C7	9.6°	0.1°
C2	N1	C4	C5	7.7°	0.4°
C2	N1	C4	C13	168.3°	179.8°
N1	C2	C1	C9	44.7°	40.0°
N1	C2	C1	C6	135.8°	140.0°
C1	C2	N1	C4	166.5°	179.8°
C2	C1	C9	C6	179.5°	180.0°
C2	C1	C9	C3	178.0°	179.9°
C2	C1	C9	H9	2.0°	0.1°
C2	C1	C6	C20	179.1°	179.8°
C2	C1	C6	H6	0.9°	0.0°
N1	C4	C5	C13	175.5°	179.8°
N1	C4	C5	C7	177.2°	179.7°
N1	C4	C13	C11	51.8°	137.7°
N1	C4	C13	C19	130.3°	42.0°
C4	C5	C7	C14	137.8°	132.7°
C4	C5	C7	C16	44.8°	47.1°
C5	C4	C13	C11	123.1°	42.1°
C5	C4	C13	C19	54.8°	138.2°
C13	C4	C5	C7	1.8°	0.1°
C4	C13	C19	C15	176.7°	179.7°
C4	C13	C11	C17	176.7°	180.0°
C4	C13	C11	C19	178.0°	179.7°
C4	C13	C11	H11	3.3°	0.0°
C4	C13	C19	H19	3.3°	0.3°
C5	C7	C14	C16	177.6°	179.8°
C5	C7	C14	C18	177.2°	180.0°
C5	C7	C14	H14	2.7°	0.1°
C5	C7	C16	C10	177.1°	179.7°
C5	C7	C16	H16	2.9°	0.3°
C7	C14	C18	H14	180.0°	179.9°
C14	C7	C16	C10	0.5°	0.5°
C14	C7	C16	H16	179.5°	179.9°
C7	C14	C18	N5	0.0°	0.1°
C7	C14	C18	H18	179.9°	180.0°
C18	C14	C7	C16	0.4°	0.2°
C14	C18	N5	C10	0.3°	0.0°
C14	C18	N5	H18	180.0°	179.9°
H14	C14	C7	C16	179.7°	179.7°
H14	C14	C18	N5	179.9°	180.0°
H14	C14	C18	H18	0.1°	0.1°
C7	C16	C10	H16	180.0°	179.5°
C7	C16	C10	N5	0.3°	0.5°
C7	C16	C10	H10	179.8°	179.7°
C16	C10	N5	H10	180.0°	179.8°
C16	C10	N5	C18	0.1°	0.3°
H16	C16	C10	N5	179.7°	180.0°
H16	C16	C10	H10	0.2°	0.2°
C10	N5	C18	H18	179.7°	180.0°
H10	C10	N5	C18	179.8°	179.9°
C8	C15	C19	H15	180.0°	179.7°
C15	C8	C17	F1	165.9°	180.0°
C15	C8	C17	C11	2.0°	0.0°
C15	C8	C17	H17	178.0°	180.0°
C8	C15	C19	C13	0.4°	0.6°
C8	C15	C19	H19	179.6°	180.0°
C19	C15	C8	C17	2.0°	0.3°
C19	C15	C8	F1	164.2°	179.7°
C15	C19	C13	C11	1.2°	0.6°
C15	C19	C13	H19	180.0°	179.4°
H15	C15	C8	C17	178.0°	180.0°
H15	C15	C8	F1	15.8°	0.0°
H15	C15	C19	C13	179.6°	179.7°
H15	C15	C19	H19	0.4°	0.3°
C8	C17	C11	H17	180.0°	180.0°
C8	C17	C11	C13	0.3°	0.0°
C8	C17	C11	H11	179.6°	180.0°
F1	C8	C17	C11	163.9°	180.0°
F1	C8	C17	H17	16.1°	0.0°
C17	C11	C13	H11	180.0°	180.0°
C17	C11	C13	C19	1.2°	0.3°
H17	C17	C11	C13	179.6°	180.0°
H17	C17	C11	H11	0.4°	0.0°
C11	C13	C19	H19	178.8°	180.0°
H11	C11	C13	C19	178.8°	179.7°
C1	C9	C3	H9	180.0°	180.0°
C1	C9	C3	C12	0.3°	0.0°
C1	C9	C3	H3	179.7°	180.0°
C9	C1	C6	C20	0.4°	0.2°
C9	C1	C6	H6	179.6°	180.0°
C6	C1	C9	C3	1.5°	0.0°
C6	C1	C9	H9	178.5°	180.0°
C1	C6	C20	C12	2.0°	0.5°
C1	C6	C20	H6	179.9°	179.8°
C1	C6	C20	H20	177.9°	180.0°
C9	C3	C12	H3	180.0°	180.0°
C9	C3	C12	C20	2.0°	0.3°
C9	C3	C12	S1	173.6°	180.0°
H9	C9	C3	C12	179.7°	180.0°
H9	C9	C3	H3	0.3°	0.0°
C3	C12	C20	S1	175.7°	179.7°
C3	C12	C20	C6	3.2°	0.5°
C3	C12	C20	H20	176.7°	180.0°
C3	C12	S1	O1	46.4°	158.0°
C3	C12	S1	C21	134.3°	90.0°
H3	C3	C12	C20	177.9°	179.7°
H3	C3	C12	S1	6.4°	0.0°
C12	C20	C6	H20	179.9°	179.4°
C12	C20	C6	H6	178.0°	179.7°
C20	C12	S1	O1	129.1°	21.8°
C20	C12	S1	C21	50.2°	90.3°
S1	C12	C20	C6	172.5°	179.7°
S1	C12	C20	H20	7.5°	0.3°
C12	S1	O1	C21	179.4°	104.4°
C12	S1	C21	H211	180.0°	180.0°
C12	S1	C21	H212	54.7°	60.0°
C12	S1	C21	H213	54.8°	60.0°
H20	C20	C6	H6	2.0°	0.2°
O1	S1	C21	H211	0.8°	75.6°
O1	S1	C21	H212	124.6°	164.5°
O1	S1	C21	H213	126.0°	44.4°
S1	C21	H211	H212	125.3°	120.0°
S1	C21	H211	H213	125.2°	120.0°
S1	C21	H212	H213	110.8°	120.1°
H211	C21	H212	H213	110.7°	119.9°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	PDBJ
Replaced by:	SB2
Derived from:	1PME