08Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.39Å	1.38Å
C1	C17	doub	1.39Å	1.45Å	Aromatic
C1	C21	sing	1.39Å	1.44Å	Aromatic
N2	C3	sing	1.38Å	1.38Å
C3	N4	doub	1.30Å	1.34Å	Aromatic
C3	S7	sing	1.71Å	1.74Å	Aromatic
N4	C5	sing	1.31Å	1.34Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C5	N8	sing	1.39Å	1.27Å
C6	S7	sing	1.76Å	1.70Å	Aromatic
C6	C9	sing	1.41Å	1.49Å
C9	C10	sing	1.48Å	1.49Å
C9	O16	doub	1.22Å	1.33Å
C10	C11	doub	1.40Å	1.45Å	Aromatic
C10	C15	sing	1.39Å	1.42Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C12	C13	doub	1.38Å	1.42Å	Aromatic
C13	N14	sing	1.32Å	1.39Å	Aromatic
N14	C15	doub	1.32Å	1.39Å	Aromatic
C17	C18	sing	1.38Å	1.42Å	Aromatic
C18	C19	doub	1.40Å	1.44Å	Aromatic
C19	C20	sing	1.40Å	1.43Å	Aromatic
C19	C22	sing	1.48Å	1.50Å
C20	C21	doub	1.38Å	1.42Å	Aromatic
C22	O23	doub	1.22Å	1.35Å
C22	N24	sing	1.35Å	1.30Å
N2	HN2	sing	0.97Å	1.00Å
N8	HN8	sing	0.97Å	1.00Å
N8	HN8A	sing	0.97Å	1.00Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
N24	HN24	sing	0.97Å	1.00Å
N24	HN2A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C17	118.3°	120.0°
N2	C1	C21	123.5°	119.9°
C1	N2	C3	128.9°	120.0°
C1	N2	HN2	115.6°	120.0°
C17	C1	C21	118.2°	120.1°
C1	C17	C18	120.7°	120.1°
C1	C17	H17	119.6°	119.9°
C1	C21	C20	121.0°	120.1°
C1	C21	H21	119.5°	120.0°
N2	C3	N4	118.5°	124.6°
N2	C3	S7	127.4°	124.5°
C3	N2	HN2	115.6°	120.0°
N4	C3	S7	114.2°	110.9°
C3	N4	C5	111.2°	117.3°
C3	S7	C6	88.2°	90.5°
N4	C5	C6	114.2°	113.6°
N4	C5	N8	121.8°	123.2°
C6	C5	N8	124.0°	123.2°
C5	C6	S7	112.2°	107.7°
C5	C6	C9	124.7°	126.1°
C5	N8	HN8	109.5°	120.0°
C5	N8	HN8A	109.5°	120.0°
S7	C6	C9	123.1°	126.2°
C6	C9	C10	123.3°	120.0°
C6	C9	O16	118.1°	120.0°
C10	C9	O16	118.7°	120.0°
C9	C10	C11	119.9°	120.5°
C9	C10	C15	121.8°	120.6°
C11	C10	C15	118.3°	118.9°
C10	C11	C12	121.1°	118.3°
C10	C11	H11	119.5°	120.9°
C10	C15	N14	119.0°	120.6°
C10	C15	H15	120.5°	119.7°
C11	C12	C13	118.6°	119.3°
C12	C11	H11	119.4°	120.8°
C11	C12	H12	120.7°	120.3°
C12	C13	N14	119.9°	121.0°
C13	C12	H12	120.7°	120.4°
C12	C13	H13	120.1°	119.5°
C13	N14	C15	123.2°	121.9°
N14	C13	H13	120.1°	119.5°
N14	C15	H15	120.5°	119.8°
C17	C18	C19	120.6°	119.9°
C18	C17	H17	119.7°	120.0°
C17	C18	H18	119.7°	120.1°
C18	C19	C20	119.0°	119.9°
C18	C19	C22	119.8°	120.1°
C19	C18	H18	119.7°	120.0°
C20	C19	C22	121.2°	120.0°
C19	C20	C21	120.6°	119.9°
C19	C20	H20	119.7°	120.0°
C19	C22	O23	118.8°	120.0°
C19	C22	N24	122.1°	120.0°
C21	C20	H20	119.7°	120.0°
C20	C21	H21	119.5°	119.9°
O23	C22	N24	119.1°	120.0°
C22	N24	HN24	120.0°	120.0°
C22	N24	HN2A	120.0°	120.1°
HN8	N8	HN8A	109.5°	120.0°
HN24	N24	HN2A	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C17	C21	178.9°	179.8°
C1	N2	C3	HN2	180.0°	180.0°
C1	N2	C3	N4	178.6°	3.4°
C1	N2	C3	S7	0.8°	176.2°
N2	C1	C17	C18	179.1°	180.0°
N2	C1	C21	C20	179.0°	179.8°
N2	C1	C17	H17	0.9°	0.0°
N2	C1	C21	H21	1.0°	0.1°
C17	C1	N2	C3	152.2°	148.6°
C1	C17	C18	H17	180.0°	180.0°
C1	C17	C18	C19	0.2°	0.0°
C17	C1	C21	C20	0.2°	0.5°
C17	C1	N2	HN2	27.7°	31.4°
C1	C17	C18	H18	179.7°	180.0°
C17	C1	C21	H21	179.9°	179.7°
C21	C1	N2	C3	28.9°	31.6°
C21	C1	C17	C18	0.2°	0.2°
C1	C21	C20	C19	0.1°	0.4°
C1	C21	C20	H21	180.0°	179.8°
C21	C1	N2	HN2	151.1°	148.4°
C21	C1	C17	H17	179.8°	179.8°
C1	C21	C20	H20	179.9°	179.7°
N2	C3	N4	S7	179.5°	179.7°
N2	C3	N4	C5	178.8°	180.0°
N2	C3	S7	C6	178.3°	179.9°
C3	N4	C5	C6	0.3°	0.0°
C3	N4	C5	N8	179.1°	180.0°
N4	C3	S7	C6	1.1°	0.4°
N4	C3	N2	HN2	1.4°	176.6°
S7	C3	N4	C5	0.7°	0.3°
C3	S7	C6	C5	1.2°	0.4°
C3	S7	C6	C9	178.5°	180.0°
S7	C3	N2	HN2	179.2°	3.8°
N4	C5	C6	N8	178.8°	180.0°
N4	C5	C6	S7	1.2°	0.3°
N4	C5	C6	C9	178.6°	180.0°
N4	C5	N8	HN8	0.0°	0.0°
N4	C5	N8	HN8A	120.0°	180.0°
C5	C6	S7	C9	179.8°	179.7°
C5	C6	C9	C10	176.3°	172.4°
C5	C6	C9	O16	2.3°	7.8°
C6	C5	N8	HN8	178.7°	180.0°
C6	C5	N8	HN8A	61.3°	0.0°
N8	C5	C6	S7	179.9°	179.7°
N8	C5	C6	C9	0.2°	0.1°
C5	N8	HN8	HN8A	120.0°	180.0°
S7	C6	C9	C10	3.4°	7.3°
S7	C6	C9	O16	177.9°	172.6°
C6	C9	C10	O16	178.7°	179.9°
C6	C9	C10	C11	44.7°	27.0°
C6	C9	C10	C15	137.0°	152.8°
C9	C10	C11	C15	178.4°	179.8°
C9	C10	C11	C12	179.0°	180.0°
C9	C10	C15	N14	178.9°	179.7°
C9	C10	C11	H11	1.0°	0.1°
C9	C10	C15	H15	1.1°	0.1°
O16	C9	C10	C11	133.9°	153.1°
O16	C9	C10	C15	44.4°	27.1°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.3°	0.0°
C11	C10	C15	N14	0.6°	0.5°
C10	C11	C12	H12	179.7°	180.0°
C11	C10	C15	H15	179.5°	179.7°
C15	C10	C11	C12	0.6°	0.3°
C10	C15	N14	C13	0.2°	0.5°
C10	C15	N14	H15	180.0°	179.8°
C15	C10	C11	H11	179.4°	179.8°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	N14	0.0°	0.0°
C11	C12	C13	H13	180.0°	179.9°
C12	C13	N14	H13	180.0°	180.0°
C12	C13	N14	C15	0.1°	0.3°
C13	C12	C11	H11	179.7°	179.9°
N14	C13	C12	H12	180.0°	180.0°
C13	N14	C15	H15	179.8°	179.7°
C15	N14	C13	H13	179.9°	179.7°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.1°	0.0°
C17	C18	C19	C22	179.6°	180.0°
C18	C19	C20	C22	179.8°	180.0°
C18	C19	C20	C21	0.1°	0.2°
C18	C19	C22	O23	0.2°	0.0°
C18	C19	C22	N24	179.7°	180.0°
C19	C18	C17	H17	179.8°	180.0°
C18	C19	C20	H20	179.9°	180.0°
C19	C20	C21	H20	180.0°	179.8°
C20	C19	C22	O23	180.0°	180.0°
C20	C19	C22	N24	0.1°	0.1°
C20	C19	C18	H18	179.8°	180.0°
C19	C20	C21	H21	179.9°	179.7°
C22	C19	C20	C21	179.7°	179.8°
C19	C22	O23	N24	179.9°	179.9°
C22	C19	C18	H18	0.4°	0.0°
C22	C19	C20	H20	0.3°	0.0°
C19	C22	N24	HN24	179.9°	0.1°
C19	C22	N24	HN2A	0.1°	180.0°
O23	C22	N24	HN24	0.0°	180.0°
O23	C22	N24	HN2A	180.0°	0.0°
C22	N24	HN24	HN2A	180.0°	180.0°
H11	C11	C12	H12	0.3°	0.0°
H12	C12	C13	H13	0.0°	0.1°
H17	C17	C18	H18	0.3°	0.0°
H20	C20	C21	H21	0.1°	0.1°

Release date:	2012-10-26
Definition date:	2011-04-18
Last modified:	2012-10-26
Release status:	REL
Processing site:	RCSB
Derived from:	3RK7