859

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N6	doub	1.35Å	1.34Å	Aromatic
C1	N2	sing	1.35Å	1.34Å	Aromatic
C1	N14	sing	1.41Å	1.37Å
N2	C3	doub	1.35Å	1.34Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C3	N7	sing	1.41Å	1.37Å
C4	C5	doub	1.38Å	1.41Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	N6	sing	1.35Å	1.36Å	Aromatic
C5	H5	sing	1.09Å	1.08Å
N7	C8	sing	1.41Å	1.41Å
N7	HN7	sing	1.01Å	1.00Å
C8	C9	sing	1.39Å	1.43Å	Aromatic
C8	C13	doub	1.40Å	1.44Å	Aromatic
C9	C22	sing	1.46Å	1.48Å
C9	C10	doub	1.39Å	1.42Å	Aromatic
C10	C11	sing	1.40Å	1.41Å	Aromatic
C10	H10	sing	1.09Å	1.08Å
C11	C12	doub	1.40Å	1.40Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C12	C13	sing	1.39Å	1.40Å	Aromatic
C12	H12	sing	1.09Å	1.08Å
C13	H13	sing	1.09Å	1.08Å
N14	C15	sing	1.41Å	1.39Å
N14	HN14	sing	1.02Å	1.00Å
C15	C20	doub	1.40Å	1.43Å	Aromatic
C15	C16	sing	1.40Å	1.41Å	Aromatic
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	H16	sing	1.09Å	1.08Å
C17	C18	sing	1.39Å	1.42Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C18	C19	doub	1.39Å	1.41Å	Aromatic
C18	H18	sing	1.09Å	1.08Å
C19	C20	sing	1.39Å	1.41Å	Aromatic
C19	O21	sing	1.36Å	1.39Å
C20	H20	sing	1.09Å	1.08Å
O21	HO21	sing	0.97Å	0.95Å
C22	N23	sing	1.39Å	1.34Å
C22	O24	doub	1.24Å	1.23Å
N23	H231	sing	1.01Å	1.00Å
N23	H232	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N6	C1	N2	122.2°	126.9°
N6	C1	N14	118.3°	116.5°
C1	N6	C5	117.9°	115.0°
N2	C1	N14	119.4°	116.6°
C1	N2	C3	121.4°	115.3°
C1	N14	C15	129.7°	132.6°
C1	N14	HN14	115.2°	113.6°
N2	C3	C4	120.2°	123.1°
N2	C3	N7	118.9°	119.2°
C4	C3	N7	120.9°	117.7°
C3	C4	C5	116.2°	116.0°
C3	C4	H4	121.9°	122.6°
C3	N7	C8	132.6°	132.6°
C3	N7	HN7	113.7°	114.0°
C5	C4	H4	121.9°	121.4°
C4	C5	N6	122.1°	123.8°
C4	C5	H5	118.9°	121.0°
N6	C5	H5	118.9°	115.3°
C8	N7	HN7	113.7°	113.5°
N7	C8	C9	118.8°	120.9°
N7	C8	C13	124.7°	119.1°
C9	C8	C13	116.5°	120.0°
C8	C9	C22	121.1°	121.4°
C8	C9	C10	119.9°	120.0°
C8	C13	C12	123.1°	120.0°
C8	C13	H13	118.4°	120.7°
C22	C9	C10	118.9°	118.6°
C9	C22	N23	117.0°	117.6°
C9	C22	O24	123.5°	121.3°
C9	C10	C11	121.2°	120.0°
C9	C10	H10	119.4°	120.7°
C11	C10	H10	119.4°	119.3°
C10	C11	C12	119.8°	120.0°
C10	C11	H11	120.1°	120.0°
C12	C11	H11	120.1°	120.0°
C11	C12	C13	119.4°	120.0°
C11	C12	H12	120.3°	120.0°
C13	C12	H12	120.3°	120.0°
C12	C13	H13	118.5°	119.3°
C15	N14	HN14	115.2°	113.9°
N14	C15	C20	125.7°	120.1°
N14	C15	C16	117.3°	120.1°
C20	C15	C16	117.1°	119.7°
C15	C20	C19	122.2°	120.1°
C15	C20	H20	118.9°	120.1°
C15	C16	C17	121.4°	120.1°
C15	C16	H16	119.3°	120.5°
C17	C16	H16	119.3°	119.4°
C16	C17	C18	120.4°	120.0°
C16	C17	H17	119.8°	120.0°
C18	C17	H17	119.8°	120.0°
C17	C18	C19	119.6°	120.0°
C17	C18	H18	120.2°	119.6°
C19	C18	H18	120.2°	120.3°
C18	C19	C20	119.4°	120.0°
C18	C19	O21	120.1°	120.0°
C20	C19	O21	120.5°	120.0°
C19	C20	H20	118.9°	119.7°
C19	O21	HO21	109.5°	110.3°
N23	C22	O24	119.5°	121.1°
C22	N23	H231	111.9°	119.3°
C22	N23	H232	124.0°	121.4°
H231	N23	H232	124.0°	119.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N6	C1	N2	N14	179.1°	180.0°
N6	C1	N2	C3	0.2°	0.1°
C1	N6	C5	C4	0.6°	0.1°
C1	N6	C5	H5	179.4°	180.0°
N6	C1	N14	C15	176.0°	180.0°
N6	C1	N14	HN14	4.1°	0.0°
C1	N2	C3	C4	0.3°	0.1°
C1	N2	C3	N7	178.7°	180.0°
N2	C1	N6	C5	0.3°	0.1°
N2	C1	N14	C15	4.9°	0.0°
N2	C1	N14	HN14	175.1°	180.0°
N14	C1	N2	C3	179.4°	180.0°
N14	C1	N6	C5	179.5°	180.0°
C1	N14	C15	HN14	180.0°	180.0°
C1	N14	C15	C20	35.6°	29.9°
C1	N14	C15	C16	144.5°	150.1°
N2	C3	C4	N7	178.3°	180.0°
N2	C3	C4	C5	0.5°	0.1°
N2	C3	C4	H4	179.5°	180.0°
N2	C3	N7	C8	1.7°	0.0°
N2	C3	N7	HN7	178.3°	180.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	N6	0.6°	0.1°
C3	C4	C5	H5	179.4°	180.0°
C4	C3	N7	C8	180.0°	179.9°
C4	C3	N7	HN7	0.0°	0.0°
N7	C3	C4	C5	178.8°	180.0°
N7	C3	C4	H4	1.2°	0.0°
C3	N7	C8	HN7	180.0°	180.0°
C3	N7	C8	C9	177.4°	150.1°
C3	N7	C8	C13	2.4°	29.9°
C4	C5	N6	H5	180.0°	179.9°
H4	C4	C5	N6	179.4°	180.0°
H4	C4	C5	H5	0.6°	0.1°
N7	C8	C9	C13	179.9°	180.0°
N7	C8	C9	C22	0.9°	0.1°
N7	C8	C9	C10	179.5°	180.0°
N7	C8	C13	C12	179.6°	180.0°
N7	C8	C13	H13	0.4°	0.0°
HN7	N7	C8	C9	2.6°	30.0°
HN7	N7	C8	C13	177.6°	150.0°
C8	C9	C22	C10	178.6°	179.9°
C8	C9	C10	C11	0.7°	0.0°
C8	C9	C10	H10	179.4°	180.0°
C9	C8	C13	C12	0.3°	NaN°
C9	C8	C13	H13	179.8°	180.0°
C8	C9	C22	N23	178.4°	89.9°
C8	C9	C22	O24	1.2°	89.1°
C13	C8	C9	C22	179.0°	180.0°
C13	C8	C9	C10	0.4°	0.0°
C8	C13	C12	C11	0.4°	0.0°
C8	C13	C12	H13	180.0°	180.0°
C8	C13	C12	H12	179.6°	180.0°
C22	C9	C10	C11	179.3°	180.0°
C22	C9	C10	H10	0.8°	0.0°
C9	C22	N23	O24	179.6°	179.1°
C9	C22	N23	H231	179.6°	0.0°
C9	C22	N23	H232	0.4°	180.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	C12	0.8°	NaN°
C9	C10	C11	H11	179.2°	180.0°
C10	C9	C22	N23	0.2°	90.0°
C10	C9	C22	O24	179.8°	90.9°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.6°	0.0°
C10	C11	C12	H12	179.4°	180.0°
H10	C10	C11	C12	179.3°	180.0°
H10	C10	C11	H11	0.8°	0.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	H13	179.6°	180.0°
H11	C11	C12	C13	179.4°	180.0°
H11	C11	C12	H12	0.6°	0.0°
H12	C12	C13	H13	0.4°	0.0°
N14	C15	C20	C16	179.8°	180.0°
N14	C15	C16	C17	179.8°	179.9°
N14	C15	C16	H16	0.2°	0.1°
N14	C15	C20	C19	180.0°	179.9°
N14	C15	C20	H20	0.0°	0.1°
HN14	N14	C15	C20	144.3°	150.1°
HN14	N14	C15	C16	35.5°	29.9°
C20	C15	C16	C17	0.0°	0.0°
C20	C15	C16	H16	180.0°	179.9°
C15	C20	C19	C18	0.3°	0.0°
C15	C20	C19	H20	180.0°	179.9°
C15	C20	C19	O21	179.6°	179.8°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.0°
C15	C16	C17	H17	179.9°	179.9°
C16	C15	C20	C19	0.2°	0.0°
C16	C15	C20	H20	179.8°	179.9°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	0.0°	0.0°
C16	C17	C18	H18	180.0°	180.0°
H16	C16	C17	C18	179.9°	179.9°
H16	C16	C17	H17	0.1°	0.0°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.2°	0.0°
C17	C18	C19	O21	179.7°	179.9°
H17	C17	C18	C19	180.0°	179.9°
H17	C17	C18	H18	0.0°	0.1°
C18	C19	C20	O21	179.9°	179.9°
C18	C19	C20	H20	179.7°	179.9°
C18	C19	O21	HO21	139.0°	44.5°
H18	C18	C19	C20	179.8°	180.0°
H18	C18	C19	O21	0.3°	0.1°
C20	C19	O21	HO21	40.9°	135.3°
O21	C19	C20	H20	0.4°	0.0°
C22	N23	H231	H232	180.0°	180.0°
O24	C22	N23	H231	0.0°	179.0°
O24	C22	N23	H232	180.0°	0.9°

Definition date:	2006-10-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB