AGX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C4	doub	1.39Å	1.43Å	Aromatic
C	C1	sing	1.38Å	1.44Å	Aromatic
C	H	sing	1.08Å	1.08Å
N	C4	sing	1.38Å	1.38Å	Aromatic
N	C6	sing	1.36Å	1.36Å	Aromatic
C7	O	sing	1.45Å	1.46Å
O	C8	sing	1.35Å	1.35Å
C13	CL	sing	1.74Å	1.73Å
C1	C2	doub	1.39Å	1.44Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C6	N1	doub	1.30Å	1.35Å	Aromatic
C5	N1	sing	1.36Å	1.37Å	Aromatic
C8	O1	doub	1.21Å	1.22Å
C12	CL1	sing	1.74Å	1.73Å
C2	C3	sing	1.37Å	1.44Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C8	N2	sing	1.35Å	1.32Å
N2	C9	sing	1.40Å	1.40Å
N2	HN2	sing	0.97Å	1.00Å
C5	C3	doub	1.40Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	C5	sing	1.41Å	1.40Å	Aromatic
C7	C6	sing	1.51Å	1.52Å
C15	C7	sing	1.53Å	1.47Å
C7	H7	sing	1.09Å	1.10Å
C9	C14	doub	1.39Å	1.42Å	Aromatic
C9	C10	sing	1.39Å	1.44Å	Aromatic
C10	C11	doub	1.38Å	1.42Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C12	sing	1.38Å	1.43Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C13	C12	doub	1.38Å	1.44Å	Aromatic
C14	C13	sing	1.38Å	1.43Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C15	H15B	sing	1.09Å	1.10Å
N	HN	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C	C1	118.8°	119.7°
C4	C	H	120.6°	120.1°
C	C4	N	130.4°	134.2°
C	C4	C5	120.8°	119.8°
C1	C	H	120.6°	120.2°
C	C1	C2	120.4°	120.4°
C	C1	H1	119.8°	119.8°
C4	N	C6	104.3°	107.3°
N	C4	C5	108.8°	106.1°
C4	N	HN	127.9°	126.4°
N	C6	N1	113.3°	110.1°
N	C6	C7	126.0°	125.0°
C6	N	HN	127.8°	126.3°
C7	O	C8	121.2°	117.0°
O	C7	C6	113.0°	109.5°
O	C7	C15	95.4°	109.4°
O	C7	H7	119.2°	109.5°
O	C8	O1	118.8°	120.0°
O	C8	N2	106.7°	120.0°
CL	C13	C12	121.7°	120.0°
CL	C13	C14	118.5°	120.0°
C2	C1	H1	119.8°	119.8°
C1	C2	C3	119.5°	120.7°
C1	C2	H2	120.3°	119.7°
C6	N1	C5	105.5°	109.7°
N1	C6	C7	120.7°	125.0°
N1	C5	C3	130.4°	133.6°
N1	C5	C4	108.1°	106.9°
O1	C8	N2	134.5°	120.0°
CL1	C12	C11	118.4°	119.9°
CL1	C12	C13	122.1°	120.0°
C3	C2	H2	120.2°	119.7°
C2	C3	C5	119.1°	119.9°
C2	C3	H3	120.5°	120.1°
C8	N2	C9	123.0°	120.0°
C8	N2	HN2	118.5°	120.0°
C9	N2	HN2	118.5°	120.0°
N2	C9	C14	114.1°	120.0°
N2	C9	C10	126.6°	120.0°
C5	C3	H3	120.5°	120.0°
C3	C5	C4	121.4°	119.5°
C6	C7	C15	117.3°	109.4°
C6	C7	H7	98.2°	109.5°
C15	C7	H7	115.1°	109.5°
C7	C15	H15	109.5°	109.5°
C7	C15	H15A	109.5°	109.5°
C7	C15	H15B	109.5°	109.5°
C14	C9	C10	119.3°	119.9°
C9	C14	C13	120.7°	119.9°
C9	C14	H14	119.7°	120.0°
C9	C10	C11	120.4°	119.9°
C9	C10	H10	119.8°	120.0°
C11	C10	H10	119.8°	120.0°
C10	C11	C12	120.4°	120.1°
C10	C11	H11	119.8°	120.0°
C12	C11	H11	119.8°	120.0°
C11	C12	C13	119.5°	120.1°
C12	C13	C14	119.7°	120.0°
C13	C14	H14	119.6°	120.1°
H15	C15	H15A	109.4°	109.5°
H15	C15	H15B	109.5°	109.5°
H15A	C15	H15B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C	C1	H	180.0°	179.8°
C	C4	N	C5	179.8°	179.9°
C	C4	N	C6	179.8°	180.0°
C4	C	C1	C2	0.1°	0.0°
C4	C	C1	H1	179.9°	180.0°
C	C4	C5	N1	179.9°	180.0°
C	C4	C5	C3	0.2°	0.1°
C	C4	N	HN	0.2°	0.1°
C1	C	C4	N	179.9°	180.0°
C	C1	C2	H1	180.0°	180.0°
C	C1	C2	C3	0.2°	0.1°
C	C1	C2	H2	179.8°	180.0°
C1	C	C4	C5	0.1°	0.0°
H	C	C4	N	0.2°	0.3°
H	C	C1	C2	179.9°	179.7°
H	C	C1	H1	0.1°	0.2°
H	C	C4	C5	179.9°	179.8°
C4	N	C6	HN	180.0°	179.9°
C4	N	C6	N1	0.1°	0.0°
N	C4	C5	N1	0.1°	0.1°
N	C4	C5	C3	179.9°	180.0°
C4	N	C6	C7	179.8°	179.9°
N	C6	C7	O	55.3°	5.0°
N	C6	N1	C7	179.9°	180.0°
N	C6	N1	C5	0.2°	0.0°
C6	N	C4	C5	0.0°	0.1°
N	C6	C7	C15	54.2°	125.0°
N	C6	C7	H7	178.1°	115.0°
O	C7	C6	N1	124.8°	175.0°
C7	O	C8	O1	0.1°	0.0°
C7	O	C8	N2	178.6°	180.0°
O	C7	C6	C15	109.5°	119.9°
O	C7	C6	H7	126.7°	120.0°
O	C7	C15	H7	125.8°	120.0°
O	C7	C15	H15	180.0°	60.0°
O	C7	C15	H15A	60.0°	180.0°
O	C7	C15	H15B	60.0°	60.0°
O	C8	O1	N2	178.2°	180.0°
O	C8	N2	C9	164.2°	174.7°
O	C8	N2	HN2	15.8°	5.3°
C8	O	C7	C6	75.4°	150.0°
C8	O	C7	C15	161.9°	90.0°
C8	O	C7	H7	39.1°	29.9°
CL	C13	C12	CL1	0.3°	0.1°
CL	C13	C14	C9	179.3°	179.7°
CL	C13	C12	C11	179.5°	180.0°
CL	C13	C12	C14	179.6°	179.6°
CL	C13	C14	H14	0.6°	0.1°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C5	0.2°	0.1°
C1	C2	C3	H3	179.8°	179.9°
H1	C1	C2	C3	179.9°	179.9°
H1	C1	C2	H2	0.2°	0.0°
C6	N1	C5	C3	179.9°	180.0°
C6	N1	C5	C4	0.2°	0.1°
N1	C6	C7	C15	125.7°	55.1°
N1	C6	C7	H7	1.9°	65.0°
N1	C6	N	HN	179.9°	180.0°
N1	C5	C3	C2	179.9°	179.9°
N1	C5	C3	C4	179.9°	179.9°
N1	C5	C3	H3	0.1°	0.1°
C5	N1	C6	C7	179.8°	180.0°
O1	C8	N2	C9	17.5°	5.3°
O1	C8	N2	HN2	162.6°	174.7°
CL1	C12	C11	C10	179.7°	179.9°
CL1	C12	C11	C13	179.8°	179.9°
CL1	C12	C11	H11	0.3°	0.1°
CL1	C12	C13	C14	180.0°	179.7°
C2	C3	C5	H3	180.0°	180.0°
C2	C3	C5	C4	0.2°	0.0°
H2	C2	C3	C5	179.8°	180.0°
H2	C2	C3	H3	0.2°	0.0°
C8	N2	C9	HN2	180.0°	180.0°
C8	N2	C9	C14	178.3°	33.3°
C8	N2	C9	C10	1.1°	146.5°
N2	C9	C14	C10	179.4°	179.8°
N2	C9	C10	C11	179.4°	180.0°
N2	C9	C10	H10	0.6°	0.1°
N2	C9	C14	C13	179.2°	179.7°
N2	C9	C14	H14	0.7°	0.0°
HN2	N2	C9	C14	1.7°	146.7°
HN2	N2	C9	C10	178.9°	33.5°
H3	C3	C5	C4	179.8°	180.0°
C5	C4	N	HN	180.0°	180.0°
C6	C7	C15	H7	114.8°	120.0°
C6	C7	C15	H15	60.6°	60.0°
C6	C7	C15	H15A	179.4°	60.1°
C6	C7	C15	H15B	59.4°	180.0°
C7	C6	N	HN	0.1°	0.0°
C7	C15	H15	H15A	120.0°	120.0°
C7	C15	H15	H15B	120.0°	120.0°
C7	C15	H15A	H15B	120.0°	119.9°
H7	C7	C15	H15	54.2°	180.0°
H7	C7	C15	H15A	65.8°	60.0°
H7	C7	C15	H15B	174.2°	59.9°
C14	C9	C10	C11	0.1°	0.2°
C14	C9	C10	H10	179.9°	179.7°
C9	C14	C13	C12	0.3°	0.6°
C9	C14	C13	H14	180.0°	179.7°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.2°	0.0°
C9	C10	C11	H11	179.8°	179.9°
C10	C9	C14	C13	0.2°	0.5°
C10	C9	C14	H14	179.8°	179.8°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.0°
H10	C10	C11	C12	179.8°	180.0°
H10	C10	C11	H11	0.2°	0.0°
C11	C12	C13	C14	0.2°	0.4°
H11	C11	C12	C13	179.9°	180.0°
C12	C13	C14	H14	179.7°	179.7°
H15	C15	H15A	H15B	120.0°	120.0°

Definition date:	2009-09-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3JVR