07Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C1	sing	1.39Å	1.37Å
C1	C17	doub	1.39Å	1.43Å	Aromatic
C1	C21	sing	1.39Å	1.45Å	Aromatic
C3	N2	sing	1.38Å	1.37Å
N2	HN2	sing	0.97Å	1.00Å
N4	C3	doub	1.30Å	1.33Å	Aromatic
C3	S7	sing	1.71Å	1.74Å	Aromatic
C5	N4	sing	1.31Å	1.33Å	Aromatic
N8	C5	sing	1.39Å	1.28Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C9	C6	sing	1.41Å	1.49Å
C6	S7	sing	1.76Å	1.71Å	Aromatic
N8	HN8	sing	0.97Å	1.00Å
N8	HN8A	sing	0.97Å	1.00Å
O16	C9	doub	1.22Å	1.35Å
C9	C10	sing	1.48Å	1.49Å
C10	C15	doub	1.39Å	1.42Å	Aromatic
C10	C11	sing	1.40Å	1.45Å	Aromatic
C11	C12	doub	1.38Å	1.42Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	sing	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
N14	C13	doub	1.32Å	1.38Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C15	N14	sing	1.32Å	1.39Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C17	C18	sing	1.38Å	1.41Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C19	doub	1.40Å	1.43Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C20	C19	sing	1.40Å	1.43Å	Aromatic
C19	C22	sing	1.47Å	1.49Å
C21	C20	doub	1.38Å	1.42Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	O23	doub	1.21Å	1.36Å
C22	O24	sing	1.35Å	1.41Å
O24	HO24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C17	117.5°	119.9°
N2	C1	C21	124.2°	119.9°
C1	N2	C3	129.3°	120.0°
C1	N2	HN2	115.4°	120.0°
C17	C1	C21	118.3°	120.1°
C1	C17	C18	120.9°	120.1°
C1	C17	H17	119.5°	119.9°
C1	C21	C20	120.7°	120.1°
C1	C21	H21	119.6°	120.0°
C3	N2	HN2	115.3°	120.0°
N2	C3	N4	118.0°	124.6°
N2	C3	S7	127.3°	124.6°
N4	C3	S7	114.7°	110.8°
C3	N4	C5	111.9°	117.3°
C3	S7	C6	87.5°	90.6°
N4	C5	N8	121.1°	123.2°
N4	C5	C6	113.9°	113.6°
N8	C5	C6	124.9°	123.2°
C5	N8	HN8	109.5°	120.0°
C5	N8	HN8A	109.5°	120.0°
C5	C6	C9	125.3°	126.2°
C5	C6	S7	112.0°	107.6°
C9	C6	S7	122.8°	126.2°
C6	C9	O16	118.1°	120.0°
C6	C9	C10	123.5°	120.0°
HN8	N8	HN8A	109.5°	119.9°
O16	C9	C10	118.4°	120.0°
C9	C10	C15	121.0°	120.6°
C9	C10	C11	121.2°	120.5°
C15	C10	C11	117.8°	118.9°
C10	C15	N14	119.5°	120.6°
C10	C15	H15	120.2°	119.7°
C10	C11	C12	121.1°	118.3°
C10	C11	H11	119.5°	120.8°
C12	C11	H11	119.4°	120.9°
C11	C12	C13	118.8°	119.3°
C11	C12	H12	120.6°	120.3°
C13	C12	H12	120.6°	120.4°
C12	C13	N14	119.7°	121.1°
C12	C13	H13	120.1°	119.4°
N14	C13	H13	120.2°	119.5°
C13	N14	C15	123.2°	121.9°
N14	C15	H15	120.3°	119.7°
C18	C17	H17	119.6°	120.0°
C17	C18	C19	120.8°	119.9°
C17	C18	H18	119.6°	120.0°
C19	C18	H18	119.6°	120.1°
C18	C19	C20	119.0°	119.9°
C18	C19	C22	119.4°	120.1°
C20	C19	C22	121.7°	120.1°
C19	C20	C21	120.3°	119.9°
C19	C20	H20	119.8°	120.1°
C19	C22	O23	118.8°	120.0°
C19	C22	O24	122.1°	120.0°
C21	C20	H20	119.8°	120.0°
C20	C21	H21	119.6°	120.0°
O23	C22	O24	119.1°	120.0°
C22	O24	HO24	109.5°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C17	C21	178.8°	179.8°
C1	N2	C3	HN2	180.0°	180.0°
C1	N2	C3	N4	178.2°	6.0°
C1	N2	C3	S7	1.1°	173.7°
N2	C1	C17	C18	178.8°	179.7°
N2	C1	C17	H17	1.2°	0.2°
N2	C1	C21	C20	178.8°	179.7°
N2	C1	C21	H21	1.2°	0.2°
C17	C1	N2	C3	161.2°	27.7°
C17	C1	N2	HN2	18.9°	152.4°
C1	C17	C18	H17	180.0°	179.9°
C1	C17	C18	C19	0.0°	0.1°
C1	C17	C18	H18	180.0°	180.0°
C17	C1	C21	C20	0.1°	0.1°
C17	C1	C21	H21	179.9°	180.0°
C21	C1	N2	C3	20.1°	152.1°
C21	C1	N2	HN2	159.9°	27.8°
C21	C1	C17	C18	0.0°	0.1°
C21	C1	C17	H17	180.0°	180.0°
C1	C21	C20	C19	0.2°	0.1°
C1	C21	C20	H21	180.0°	180.0°
C1	C21	C20	H20	179.8°	180.0°
N2	C3	N4	S7	179.3°	179.7°
N2	C3	N4	C5	178.8°	180.0°
N2	C3	S7	C6	178.4°	179.9°
HN2	N2	C3	N4	1.8°	174.0°
HN2	N2	C3	S7	178.9°	6.4°
C3	N4	C5	N8	179.3°	179.9°
C3	N4	C5	C6	0.2°	0.0°
N4	C3	S7	C6	0.8°	0.4°
S7	C3	N4	C5	0.5°	0.3°
C3	S7	C6	C5	0.8°	0.4°
C3	S7	C6	C9	178.8°	179.9°
N4	C5	N8	C6	179.0°	180.0°
N4	C5	C6	C9	178.9°	180.0°
N4	C5	C6	S7	0.8°	0.3°
N4	C5	N8	HN8	0.0°	0.0°
N4	C5	N8	HN8A	120.0°	180.0°
N8	C5	C6	C9	0.2°	0.0°
N8	C5	C6	S7	179.8°	179.8°
C5	N8	HN8	HN8A	120.0°	180.0°
C5	C6	C9	S7	179.6°	179.7°
C6	C5	N8	HN8	179.0°	180.0°
C6	C5	N8	HN8A	61.0°	0.0°
C5	C6	C9	O16	0.9°	6.2°
C5	C6	C9	C10	177.9°	173.8°
C6	C9	O16	C10	178.8°	180.0°
C6	C9	C10	C15	136.2°	154.5°
C6	C9	C10	C11	44.9°	25.7°
S7	C6	C9	O16	179.5°	173.5°
S7	C6	C9	C10	1.7°	6.6°
O16	C9	C10	C15	45.0°	25.5°
O16	C9	C10	C11	133.9°	154.2°
C9	C10	C15	C11	178.9°	179.7°
C9	C10	C11	C12	179.3°	180.0°
C9	C10	C11	H11	0.7°	0.0°
C9	C10	C15	N14	179.2°	179.7°
C9	C10	C15	H15	0.7°	0.1°
C15	C10	C11	C12	0.4°	0.3°
C15	C10	C11	H11	179.6°	179.8°
C10	C15	N14	C13	0.0°	0.6°
C10	C15	N14	H15	180.0°	179.7°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	H12	179.8°	180.0°
C11	C10	C15	N14	0.3°	0.6°
C11	C10	C15	H15	179.6°	179.7°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	N14	0.1°	0.0°
C11	C12	C13	H13	179.9°	180.0°
H11	C11	C12	C13	179.8°	180.0°
H11	C11	C12	H12	0.2°	0.0°
C12	C13	N14	H13	180.0°	180.0°
C12	C13	N14	C15	0.2°	0.3°
H12	C12	C13	N14	179.9°	180.0°
H12	C12	C13	H13	0.1°	0.1°
C13	N14	C15	H15	179.9°	179.6°
H13	C13	N14	C15	179.8°	179.7°
C17	C18	C19	H18	180.0°	179.9°
C17	C18	C19	C20	0.2°	0.1°
C17	C18	C19	C22	179.7°	179.9°
H17	C17	C18	C19	179.9°	180.0°
H17	C17	C18	H18	0.0°	0.2°
C18	C19	C20	C22	179.9°	180.0°
C18	C19	C20	C21	0.3°	0.1°
C18	C19	C20	H20	179.7°	180.0°
C18	C19	C22	O23	0.3°	0.0°
C18	C19	C22	O24	179.9°	179.9°
H18	C18	C19	C20	179.8°	180.0°
H18	C18	C19	C22	0.3°	0.1°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	H21	179.8°	180.0°
C20	C19	C22	O23	179.6°	180.0°
C20	C19	C22	O24	0.2°	0.0°
C22	C19	C20	C21	179.6°	180.0°
C22	C19	C20	H20	0.3°	0.0°
C19	C22	O23	O24	179.8°	180.0°
C19	C22	O24	HO24	179.8°	180.0°
H20	C20	C21	H21	0.2°	0.0°
O23	C22	O24	HO24	0.0°	0.0°

Release date:	2012-10-26
Definition date:	2011-04-18
Last modified:	2012-10-26
Release status:	REL
Processing site:	RCSB
Derived from:	3RK5