OBI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	N4	sing	1.42Å	1.39Å
O3	HO3	sing	0.97Å	0.95Å
N4	C14	doub	1.29Å	1.26Å
C14	C11	sing	1.48Å	1.49Å
C14	H14	sing	1.08Å	1.08Å
C11	C10	doub	1.40Å	1.39Å	Aromatic
C11	C12	sing	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C9	N3	doub	1.32Å	1.34Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	N3	sing	1.32Å	1.34Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
N3	C8	sing	1.47Å	1.45Å
C8	O2	sing	1.43Å	1.42Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
O2	C7	sing	1.43Å	1.41Å
C7	N2	sing	1.47Å	1.45Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
N2	C4	sing	1.32Å	1.34Å	Aromatic
N2	C5	doub	1.32Å	1.33Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C3	C2	sing	1.40Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C6	sing	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C2	doub	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C2	C1	sing	1.48Å	1.47Å
C1	N1	doub	1.29Å	1.25Å
C1	H1	sing	1.08Å	1.08Å
N1	O1	sing	1.42Å	1.39Å
O1	HO1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N4	O3	HO3	109.5°	106.8°
O3	N4	C14	120.9°	120.0°
N4	C14	C11	122.7°	120.0°
N4	C14	H14	118.6°	120.0°
C11	C14	H14	118.7°	120.0°
C14	C11	C10	121.4°	121.0°
C14	C11	C12	119.7°	120.9°
C10	C11	C12	118.9°	118.1°
C11	C10	C9	119.1°	119.0°
C11	C10	H10	120.4°	120.5°
C11	C12	C13	119.6°	119.0°
C11	C12	H12	120.2°	120.4°
C9	C10	H10	120.4°	120.5°
C10	C9	N3	120.7°	120.9°
C10	C9	H9	119.6°	119.6°
N3	C9	H9	119.6°	119.6°
C9	N3	C13	121.6°	122.1°
C9	N3	C8	119.5°	119.0°
C13	C12	H12	120.2°	120.6°
C12	C13	N3	120.1°	120.9°
C12	C13	H13	120.0°	119.5°
N3	C13	H13	120.0°	119.6°
C13	N3	C8	118.9°	118.9°
N3	C8	O2	103.0°	109.4°
N3	C8	H81	113.1°	109.5°
N3	C8	H82	111.7°	109.4°
O2	C8	H81	113.1°	109.5°
O2	C8	H82	111.7°	109.4°
C8	O2	C7	112.3°	106.8°
H81	C8	H82	104.6°	109.5°
O2	C7	N2	105.8°	109.5°
O2	C7	H71	111.5°	109.5°
O2	C7	H72	110.7°	109.5°
N2	C7	H71	111.5°	109.5°
N2	C7	H72	110.7°	109.5°
C7	N2	C4	119.6°	119.0°
C7	N2	C5	117.4°	118.9°
H71	C7	H72	106.7°	109.5°
C4	N2	C5	123.0°	122.1°
N2	C4	C3	120.3°	120.9°
N2	C4	H4	119.8°	119.6°
N2	C5	C6	119.5°	120.9°
N2	C5	H5	120.3°	119.6°
C3	C4	H4	119.9°	119.5°
C4	C3	C2	118.0°	119.0°
C4	C3	H3	121.0°	120.5°
C2	C3	H3	121.0°	120.6°
C3	C2	C6	120.3°	118.1°
C3	C2	C1	122.0°	120.9°
C6	C5	H5	120.3°	119.5°
C5	C6	C2	118.9°	119.0°
C5	C6	H6	120.6°	120.5°
C2	C6	H6	120.5°	120.5°
C6	C2	C1	117.7°	121.0°
C2	C1	N1	120.4°	120.0°
C2	C1	H1	119.8°	120.0°
N1	C1	H1	119.8°	120.0°
C1	N1	O1	118.1°	120.0°
N1	O1	HO1	109.5°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	N4	C14	C11	179.7°	180.0°
O3	N4	C14	H14	0.3°	0.0°
HO3	O3	N4	C14	168.0°	180.0°
N4	C14	C11	H14	180.0°	179.9°
N4	C14	C11	C10	3.4°	180.0°
N4	C14	C11	C12	176.4°	0.4°
C14	C11	C10	C12	179.8°	179.7°
C14	C11	C10	C9	179.4°	180.0°
C14	C11	C10	H10	0.6°	0.1°
C14	C11	C12	C13	179.8°	179.8°
C14	C11	C12	H12	0.3°	0.3°
H14	C14	C11	C10	176.6°	0.1°
H14	C14	C11	C12	3.6°	179.7°
C11	C10	C9	H10	180.0°	180.0°
C11	C10	C9	N3	0.5°	0.0°
C11	C10	C9	H9	179.5°	179.9°
C10	C11	C12	C13	0.0°	0.6°
C10	C11	C12	H12	179.9°	180.0°
C12	C11	C10	C9	0.8°	0.3°
C12	C11	C10	H10	179.2°	179.7°
C11	C12	C13	H12	180.0°	179.4°
C11	C12	C13	N3	1.2°	0.5°
C11	C12	C13	H13	178.7°	179.7°
C10	C9	N3	H9	180.0°	179.9°
C10	C9	N3	C13	0.8°	0.1°
C10	C9	N3	C8	179.3°	180.0°
H10	C10	C9	N3	179.6°	180.0°
H10	C10	C9	H9	0.4°	0.1°
C9	N3	C13	C12	1.6°	0.2°
C9	N3	C13	C8	178.6°	180.0°
C9	N3	C13	H13	178.4°	180.0°
C9	N3	C8	O2	132.6°	89.9°
C9	N3	C8	H81	10.2°	150.0°
C9	N3	C8	H82	107.4°	30.0°
H9	C9	N3	C13	179.2°	180.0°
H9	C9	N3	C8	0.7°	0.1°
C12	C13	N3	H13	180.0°	179.8°
C12	C13	N3	C8	179.8°	179.7°
H12	C12	C13	N3	178.7°	180.0°
H12	C12	C13	H13	1.3°	0.3°
C13	N3	C8	O2	46.0°	90.0°
C13	N3	C8	H81	168.4°	30.0°
C13	N3	C8	H82	74.0°	150.1°
H13	C13	N3	C8	0.2°	0.0°
N3	C8	O2	H81	122.4°	120.0°
N3	C8	O2	H82	120.0°	119.9°
N3	C8	H81	H82	121.7°	120.0°
N3	C8	O2	C7	148.3°	180.0°
O2	C8	H81	H82	121.8°	120.0°
C8	O2	C7	N2	105.9°	180.0°
C8	O2	C7	H71	15.5°	60.0°
C8	O2	C7	H72	134.1°	60.0°
H81	C8	O2	C7	89.4°	60.0°
H82	C8	O2	C7	28.3°	60.1°
O2	C7	N2	H71	121.4°	120.0°
O2	C7	N2	H72	120.0°	120.0°
O2	C7	H71	H72	121.0°	120.0°
O2	C7	N2	C4	24.5°	90.0°
O2	C7	N2	C5	155.7°	90.3°
N2	C7	H71	H72	121.0°	120.0°
C7	N2	C4	C5	179.8°	179.7°
C7	N2	C4	C3	179.7°	179.9°
C7	N2	C4	H4	0.2°	0.0°
C7	N2	C5	C6	179.8°	179.7°
C7	N2	C5	H5	0.3°	0.3°
H71	C7	N2	C4	145.9°	30.0°
H71	C7	N2	C5	34.3°	149.7°
H72	C7	N2	C4	95.5°	150.0°
H72	C7	N2	C5	84.3°	29.7°
N2	C4	C3	H4	180.0°	179.9°
N2	C4	C3	C2	0.5°	0.1°
N2	C4	C3	H3	179.5°	180.0°
C4	N2	C5	C6	0.0°	0.6°
C4	N2	C5	H5	180.0°	180.0°
C5	N2	C4	C3	0.0°	0.2°
C5	N2	C4	H4	180.0°	179.7°
N2	C5	C6	H5	180.0°	179.4°
N2	C5	C6	C2	0.5°	0.6°
N2	C5	C6	H6	179.5°	179.7°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	C6	1.0°	0.1°
C4	C3	C2	C1	179.4°	180.0°
H4	C4	C3	C2	179.5°	180.0°
H4	C4	C3	H3	0.6°	0.1°
C3	C2	C6	C5	1.1°	0.2°
C3	C2	C6	C1	178.4°	180.0°
C3	C2	C6	H6	178.9°	180.0°
C3	C2	C1	N1	13.8°	180.0°
C3	C2	C1	H1	166.2°	0.0°
H3	C3	C2	C6	178.9°	180.0°
H3	C3	C2	C1	0.6°	0.0°
C5	C6	C2	H6	180.0°	179.7°
C5	C6	C2	C1	179.5°	179.7°
H5	C5	C6	C2	179.5°	180.0°
H5	C5	C6	H6	0.5°	0.3°
C6	C2	C1	N1	164.6°	0.0°
C6	C2	C1	H1	15.4°	180.0°
H6	C6	C2	C1	0.5°	0.0°
C2	C1	N1	H1	180.0°	180.0°
C2	C1	N1	O1	177.4°	180.0°
C1	N1	O1	HO1	41.6°	180.0°
H1	C1	N1	O1	2.6°	0.0°

Definition date:	2006-05-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2GYW