O22

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C5	trip	1.14Å	1.15Å
C5	C4	sing	1.43Å	1.28Å
C4	C3	doub	1.40Å	1.47Å	Aromatic
C4	C6	sing	1.41Å	1.45Å	Aromatic
O1	C3	sing	1.35Å	1.33Å
O1	C2	sing	1.43Å	1.39Å
C1	C2	sing	1.53Å	1.49Å
N2	C6	sing	1.39Å	1.32Å
C3	N5	sing	1.32Å	1.32Å	Aromatic
C6	C7	doub	1.39Å	1.36Å	Aromatic
N5	C8	doub	1.33Å	1.32Å	Aromatic
C7	C8	sing	1.39Å	1.36Å	Aromatic
C8	N3	sing	1.39Å	1.33Å
N3	C9	sing	1.39Å	1.33Å
C10	C9	doub	1.39Å	1.36Å	Aromatic
C10	C11	sing	1.38Å	1.37Å	Aromatic
C9	C14	sing	1.39Å	1.36Å	Aromatic
C11	C12	doub	1.40Å	1.36Å	Aromatic
C14	C13	doub	1.38Å	1.36Å	Aromatic
C12	C13	sing	1.40Å	1.36Å	Aromatic
C12	C15	sing	1.48Å	1.48Å
N4	C15	sing	1.35Å	1.30Å
C15	O2	doub	1.22Å	1.19Å
N4	H1	sing	0.97Å	1.00Å
N4	H2	sing	0.97Å	1.00Å
C11	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
N3	H7	sing	0.97Å	1.00Å
C7	H8	sing	1.08Å	1.08Å
N2	H9	sing	0.97Å	1.00Å
N2	H10	sing	0.97Å	1.00Å
C2	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C5	C4	179.4°	180.0°
C5	C4	C3	124.7°	120.6°
C5	C4	C6	120.2°	120.6°
C3	C4	C6	115.0°	118.8°
C4	C3	O1	123.1°	119.7°
C4	C3	N5	121.2°	120.5°
C4	C6	N2	121.5°	120.8°
C4	C6	C7	118.5°	118.2°
C3	O1	C2	114.6°	117.0°
O1	C3	N5	115.7°	119.8°
O1	C2	C1	105.9°	109.5°
O1	C2	H11	110.4°	109.5°
O1	C2	H12	110.4°	109.5°
C1	C2	H11	110.4°	109.4°
C1	C2	H12	110.3°	109.5°
C2	C1	H13	109.5°	109.5°
C2	C1	H14	109.4°	109.5°
C2	C1	H15	109.4°	109.5°
N2	C6	C7	120.1°	120.9°
C6	N2	H9	109.5°	120.0°
C6	N2	H10	109.5°	120.0°
C3	N5	C8	121.4°	122.0°
C6	C7	C8	122.2°	119.3°
C6	C7	H8	118.9°	120.3°
N5	C8	C7	121.7°	121.1°
N5	C8	N3	121.4°	119.4°
C7	C8	N3	116.8°	119.4°
C8	C7	H8	118.9°	120.4°
C8	N3	C9	126.6°	120.0°
C8	N3	H7	116.7°	120.0°
N3	C9	C10	121.7°	119.9°
N3	C9	C14	118.6°	119.9°
C9	N3	H7	116.7°	120.0°
C9	C10	C11	120.1°	120.0°
C10	C9	C14	119.7°	120.2°
C9	C10	H4	119.9°	120.0°
C10	C11	C12	120.0°	119.9°
C10	C11	H3	120.0°	120.0°
C11	C10	H4	120.0°	120.0°
C9	C14	C13	120.5°	120.0°
C9	C14	H6	119.8°	120.0°
C11	C12	C13	119.8°	119.9°
C11	C12	C15	120.2°	120.1°
C12	C11	H3	120.0°	120.1°
C14	C13	C12	119.9°	119.9°
C14	C13	H5	120.0°	120.1°
C13	C14	H6	119.7°	120.0°
C13	C12	C15	120.0°	120.1°
C12	C13	H5	120.1°	120.0°
C12	C15	N4	120.7°	120.0°
C12	C15	O2	119.4°	120.0°
N4	C15	O2	119.9°	120.0°
C15	N4	H1	120.0°	120.0°
C15	N4	H2	120.0°	120.0°
H1	N4	H2	120.0°	120.1°
H9	N2	H10	109.5°	120.0°
H11	C2	H12	109.5°	109.5°
H13	C1	H14	109.5°	109.4°
H13	C1	H15	109.5°	109.5°
H14	C1	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C5	C4	C3	133.6°	45.8°
N1	C5	C4	C6	47.2°	134.5°
C5	C4	C3	C6	179.2°	179.7°
C5	C4	C3	O1	0.8°	0.4°
C5	C4	C6	N2	0.0°	0.3°
C5	C4	C3	N5	179.7°	180.0°
C5	C4	C6	C7	179.9°	179.7°
C4	C3	O1	N5	179.5°	179.6°
C4	C3	O1	C2	174.8°	180.0°
C3	C4	C6	N2	179.2°	180.0°
C3	C4	C6	C7	0.7°	0.0°
C4	C3	N5	C8	0.2°	0.6°
C6	C4	C3	O1	179.9°	179.9°
C4	C6	N2	C7	179.9°	179.9°
C6	C4	C3	N5	0.6°	0.3°
C4	C6	C7	C8	0.1°	0.1°
C4	C6	C7	H8	179.9°	180.0°
C4	C6	N2	H9	180.0°	180.0°
C4	C6	N2	H10	60.0°	0.0°
C3	O1	C2	C1	174.8°	180.0°
O1	C3	N5	C8	179.3°	179.8°
C3	O1	C2	H11	55.4°	60.1°
C3	O1	C2	H12	65.7°	60.0°
O1	C2	C1	H11	119.4°	120.0°
O1	C2	C1	H12	119.4°	120.0°
C2	O1	C3	N5	5.7°	0.3°
O1	C2	H11	H12	121.7°	120.0°
O1	C2	C1	H13	180.0°	180.0°
O1	C2	C1	H14	60.0°	60.0°
O1	C2	C1	H15	60.0°	60.0°
C1	C2	H11	H12	121.6°	120.0°
C2	C1	H13	H14	120.0°	120.0°
C2	C1	H13	H15	120.0°	120.1°
C2	C1	H14	H15	120.0°	120.0°
N2	C6	C7	C8	179.8°	180.0°
N2	C6	C7	H8	0.2°	0.1°
C6	N2	H9	H10	120.0°	180.0°
C3	N5	C8	C7	0.9°	0.5°
C3	N5	C8	N3	179.7°	179.8°
C6	C7	C8	N5	0.7°	0.2°
C6	C7	C8	H8	180.0°	179.9°
C6	C7	C8	N3	179.9°	179.9°
C7	C6	N2	H9	0.1°	0.1°
C7	C6	N2	H10	120.1°	180.0°
N5	C8	C7	N3	179.4°	179.7°
N5	C8	N3	C9	7.6°	6.2°
N5	C8	N3	H7	172.4°	173.9°
N5	C8	C7	H8	179.3°	179.7°
C7	C8	N3	C9	173.0°	174.1°
C7	C8	N3	H7	7.0°	5.8°
C8	N3	C9	H7	180.0°	179.9°
C8	N3	C9	C10	19.3°	146.5°
C8	N3	C9	C14	161.6°	33.7°
N3	C8	C7	H8	0.1°	0.0°
N3	C9	C10	C14	179.0°	179.8°
N3	C9	C10	C11	179.9°	180.0°
N3	C9	C14	C13	180.0°	179.7°
N3	C9	C10	H4	0.1°	0.1°
N3	C9	C14	H6	0.0°	0.2°
C9	C10	C11	H4	180.0°	179.9°
C9	C10	C11	C12	1.2°	0.1°
C10	C9	C14	C13	1.0°	0.5°
C9	C10	C11	H3	178.8°	179.9°
C10	C9	C14	H6	179.0°	180.0°
C10	C9	N3	H7	160.7°	33.6°
C11	C10	C9	C14	1.1°	0.2°
C10	C11	C12	H3	180.0°	180.0°
C10	C11	C12	C13	1.2°	0.0°
C10	C11	C12	C15	179.6°	179.7°
C9	C14	C13	H6	180.0°	179.5°
C9	C14	C13	C12	1.0°	0.6°
C14	C9	C10	H4	179.0°	179.7°
C9	C14	C13	H5	179.0°	179.5°
C14	C9	N3	H7	18.4°	146.2°
C11	C12	C13	C14	1.1°	0.3°
C11	C12	C13	C15	178.5°	179.7°
C11	C12	C15	N4	52.2°	0.0°
C11	C12	C15	O2	127.1°	179.7°
C12	C11	C10	H4	178.9°	180.0°
C11	C12	C13	H5	178.9°	179.7°
C14	C13	C12	H5	180.0°	179.9°
C14	C13	C12	C15	179.5°	180.0°
C13	C12	C15	N4	129.4°	179.7°
C13	C12	C15	O2	51.4°	0.0°
C13	C12	C11	H3	178.8°	180.0°
C12	C13	C14	H6	179.0°	179.9°
C12	C15	N4	O2	179.3°	179.7°
C12	C15	N4	H1	179.2°	179.7°
C12	C15	N4	H2	0.8°	0.3°
C15	C12	C11	H3	0.4°	0.3°
C15	C12	C13	H5	0.5°	0.0°
C15	N4	H1	H2	180.0°	179.9°
O2	C15	N4	H1	0.0°	0.0°
O2	C15	N4	H2	180.0°	180.0°
H3	C11	C10	H4	1.1°	0.1°
H5	C13	C14	H6	1.0°	0.0°
H11	C2	C1	H13	60.6°	60.1°
H11	C2	C1	H14	179.4°	180.0°
H11	C2	C1	H15	59.4°	60.0°
H12	C2	C1	H13	60.6°	60.0°
H12	C2	C1	H14	59.5°	60.0°
H12	C2	C1	H15	179.5°	180.0°
H13	C1	H14	H15	120.0°	120.0°

Definition date:	2012-04-17
Last modified:	2012-06-22
Release status:	REL
Processing site:	PDBJ
Derived from:	3VQU