POX

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.44Å	Aromatic
C1	C7	sing	1.51Å	1.53Å
C1	C6	sing	1.38Å	1.43Å	Aromatic
C2	C3	sing	1.39Å	1.41Å	Aromatic
C3	C4	doub	1.39Å	1.42Å	Aromatic
C3	F1	sing	1.35Å	1.34Å
N6	C18	sing	1.38Å	1.37Å
C7	N1	sing	1.46Å	1.47Å
C8	C13	sing	1.46Å	1.40Å	Aromatic
C8	N2	doub	1.30Å	1.33Å	Aromatic
C9	C10	doub	1.40Å	1.42Å	Aromatic
C9	C14	sing	1.38Å	1.43Å	Aromatic
C9	N3	sing	1.40Å	1.40Å
C10	C11	sing	1.37Å	1.41Å	Aromatic
C11	C12	doub	1.39Å	1.42Å	Aromatic
C12	C13	sing	1.41Å	1.40Å	Aromatic
C12	N1	sing	1.37Å	1.38Å	Aromatic
C13	C14	doub	1.40Å	1.42Å	Aromatic
C15	N4	doub	1.32Å	1.36Å	Aromatic
C15	N5	sing	1.32Å	1.34Å	Aromatic
C16	N3	sing	1.38Å	1.40Å
C16	N5	doub	1.33Å	1.38Å	Aromatic
C16	C17	sing	1.41Å	1.40Å	Aromatic
C19	C17	sing	1.47Å	1.48Å
C19	N7	doub	1.30Å	1.30Å
C20	C21	sing	1.53Å	1.54Å
C20	O1	sing	1.43Å	1.45Å
C21	O2	sing	1.43Å	1.44Å
C22	O2	sing	1.43Å	1.43Å
C4	C5	sing	1.38Å	1.43Å	Aromatic
C5	C6	doub	1.38Å	1.44Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
N4	C18	sing	1.33Å	1.34Å	Aromatic
C17	C18	doub	1.41Å	1.42Å	Aromatic
N7	O1	sing	1.42Å	1.43Å
C2	H2	sing	1.08Å	1.08Å
N6	HN6	sing	0.97Å	1.00Å
N6	HN6A	sing	0.97Å	1.00Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C22	H22B	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
N3	HN3	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C7	119.7°	119.9°
C2	C1	C6	118.1°	120.1°
C1	C2	C3	121.1°	120.0°
C1	C2	H2	119.4°	120.1°
C7	C1	C6	122.2°	120.0°
C1	C7	N1	110.0°	109.4°
C1	C7	H7	109.3°	109.5°
C1	C7	H7A	109.2°	109.5°
C1	C6	C5	120.6°	120.0°
C1	C6	H6	119.7°	120.0°
C2	C3	C4	120.6°	119.9°
C2	C3	F1	119.0°	120.0°
C3	C2	H2	119.5°	120.0°
C4	C3	F1	120.3°	120.0°
C3	C4	C5	119.3°	120.0°
C3	C4	H4	120.3°	120.0°
N6	C18	N4	113.7°	120.6°
N6	C18	C17	123.4°	120.6°
C18	N6	HN6	109.5°	120.0°
C18	N6	HN6A	109.5°	120.0°
C7	N1	C12	127.2°	125.5°
C7	N1	N2	119.5°	125.5°
N1	C7	H7	109.3°	109.5°
N1	C7	H7A	109.2°	109.5°
C13	C8	N2	113.2°	107.8°
C8	C13	C12	104.9°	106.3°
C8	C13	C14	135.8°	133.9°
C13	C8	H8	123.4°	126.1°
C8	N2	N1	103.8°	110.1°
N2	C8	H8	123.4°	126.1°
C10	C9	C14	119.1°	120.4°
C10	C9	N3	123.0°	119.8°
C9	C10	C11	122.0°	120.7°
C9	C10	H10	119.0°	119.6°
C14	C9	N3	117.9°	119.8°
C9	C14	C13	119.9°	119.4°
C9	C14	H14	120.0°	120.3°
C9	N3	C16	130.1°	120.0°
C9	N3	HN3	115.0°	120.0°
C10	C11	C12	117.4°	120.1°
C11	C10	H10	119.0°	119.6°
C10	C11	H11	121.3°	120.0°
C11	C12	C13	122.4°	119.6°
C11	C12	N1	132.9°	133.7°
C12	C11	H11	121.3°	119.9°
C13	C12	N1	104.7°	106.7°
C12	C13	C14	119.3°	119.8°
C12	N1	N2	113.3°	109.0°
C13	C14	H14	120.1°	120.3°
N4	C15	N5	125.0°	122.3°
C15	N4	C18	116.8°	121.1°
N4	C15	H15	117.5°	118.8°
C15	N5	C16	117.9°	121.1°
N5	C15	H15	117.5°	118.9°
N3	C16	N5	113.7°	120.6°
N3	C16	C17	124.8°	120.6°
C16	N3	HN3	114.9°	120.0°
N5	C16	C17	121.5°	118.8°
C16	C17	C19	120.9°	121.0°
C16	C17	C18	115.9°	117.9°
C17	C19	N7	126.1°	120.0°
C19	C17	C18	123.2°	121.0°
C17	C19	H19	117.0°	120.0°
C19	N7	O1	107.4°	120.0°
N7	C19	H19	116.9°	120.0°
C21	C20	O1	108.5°	109.5°
C20	C21	O2	109.3°	109.5°
C21	C20	H20	109.8°	109.5°
C21	C20	H20A	110.0°	109.5°
C20	C21	H21	109.5°	109.5°
C20	C21	H21A	109.5°	109.5°
C20	O1	N7	112.8°	114.0°
O1	C20	H20	109.8°	109.5°
O1	C20	H20A	110.0°	109.5°
C21	O2	C22	108.2°	114.0°
O2	C21	H21	109.5°	109.4°
O2	C21	H21A	109.6°	109.4°
O2	C22	H22	109.5°	109.5°
O2	C22	H22A	109.5°	109.5°
O2	C22	H22B	109.5°	109.5°
C4	C5	C6	120.2°	120.0°
C5	C4	H4	120.3°	120.1°
C4	C5	H5	119.9°	120.0°
C6	C5	H5	119.9°	120.0°
C5	C6	H6	119.7°	120.0°
N4	C18	C17	122.9°	118.8°
HN6	N6	HN6A	109.5°	120.0°
H7	C7	H7A	109.9°	109.4°
H20	C20	H20A	108.8°	109.4°
H21	C21	H21A	109.4°	109.5°
H22	C22	H22A	109.5°	109.5°
H22	C22	H22B	109.4°	109.5°
H22A	C22	H22B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C7	C6	180.0°	179.8°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.0°	0.1°
C1	C2	C3	F1	180.0°	180.0°
C2	C1	C7	N1	15.4°	90.0°
C2	C1	C6	C5	0.1°	0.5°
C2	C1	C7	H7	135.4°	150.0°
C2	C1	C7	H7A	104.4°	30.0°
C2	C1	C6	H6	179.9°	179.9°
C7	C1	C2	C3	179.9°	180.0°
C1	C7	N1	H7	120.0°	120.0°
C1	C7	N1	H7A	119.8°	120.0°
C1	C7	N1	C12	79.5°	90.0°
C7	C1	C6	C5	179.9°	179.7°
C1	C7	N1	N2	99.4°	90.0°
C7	C1	C2	H2	0.1°	0.1°
C1	C7	H7	H7A	119.8°	120.0°
C7	C1	C6	H6	0.1°	0.3°
C6	C1	C2	C3	0.1°	0.2°
C6	C1	C7	N1	164.6°	89.8°
C1	C6	C5	C4	0.0°	0.5°
C1	C6	C5	H6	180.0°	179.4°
C6	C1	C2	H2	179.9°	179.7°
C6	C1	C7	H7	44.6°	30.3°
C6	C1	C7	H7A	75.6°	150.2°
C1	C6	C5	H5	180.0°	179.8°
C2	C3	C4	F1	180.0°	179.9°
C2	C3	C4	C5	0.1°	0.0°
C2	C3	C4	H4	179.9°	180.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.1°	0.3°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C5	H5	179.9°	180.0°
F1	C3	C4	C5	179.9°	180.0°
F1	C3	C2	H2	0.0°	0.1°
F1	C3	C4	H4	0.1°	0.0°
N6	C18	N4	C15	179.2°	180.0°
N6	C18	C17	C16	178.6°	180.0°
N6	C18	C17	C19	0.8°	0.0°
N6	C18	N4	C17	179.6°	179.9°
C18	N6	HN6	HN6A	120.0°	179.9°
C7	N1	N2	C8	178.9°	179.9°
C7	N1	C12	C11	1.0°	0.1°
C7	N1	C12	C13	178.6°	180.0°
C7	N1	C12	N2	178.9°	180.0°
N1	C7	H7	H7A	119.8°	120.0°
C13	C8	N2	H8	180.0°	179.7°
C8	C13	C14	C9	179.5°	180.0°
C8	C13	C12	C11	180.0°	180.0°
C8	C13	C12	C14	179.6°	180.0°
C8	C13	C12	N1	0.3°	0.0°
C13	C8	N2	N1	0.1°	0.0°
C8	C13	C14	H14	0.5°	0.1°
N2	C8	C13	C12	0.3°	0.0°
C8	N2	N1	C12	0.1°	0.0°
N2	C8	C13	C14	179.2°	180.0°
C10	C9	C14	N3	179.1°	180.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.1°	0.0°
C10	C9	C14	C13	0.3°	0.0°
C10	C9	N3	C16	115.3°	146.2°
C9	C10	C11	H11	179.8°	180.0°
C10	C9	C14	H14	179.7°	179.9°
C10	C9	N3	HN3	64.6°	33.7°
C14	C9	C10	C11	0.2°	0.0°
C9	C14	C13	C12	0.0°	0.0°
C9	C14	C13	H14	180.0°	179.9°
C14	C9	N3	C16	63.7°	33.8°
C14	C9	C10	H10	179.8°	179.9°
C14	C9	N3	HN3	116.3°	146.3°
N3	C9	C10	C11	178.8°	180.0°
N3	C9	C14	C13	178.8°	180.0°
C9	N3	C16	HN3	180.0°	180.0°
C9	N3	C16	N5	5.4°	4.2°
C9	N3	C16	C17	174.8°	175.8°
N3	C9	C10	H10	1.2°	0.1°
N3	C9	C14	H14	1.2°	0.1°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	N1	179.1°	180.0°
C11	C12	C13	N1	179.6°	180.0°
C11	C12	C13	C14	0.4°	0.0°
C11	C12	N1	N2	179.9°	180.0°
C12	C11	C10	H10	179.9°	180.0°
C13	C12	N1	N2	0.3°	0.0°
C12	C13	C8	H8	179.7°	179.7°
C13	C12	C11	H11	179.5°	180.0°
C12	C13	C14	H14	180.0°	179.9°
N1	C12	C13	C14	179.3°	180.0°
C12	N1	C7	H7	40.5°	30.0°
C12	N1	C7	H7A	160.7°	150.0°
N1	C12	C11	H11	0.9°	0.0°
C14	C13	C8	H8	0.8°	0.3°
N4	C15	N5	H15	180.0°	179.8°
N4	C15	N5	C16	0.4°	0.1°
C15	N4	C18	C17	0.4°	0.0°
C15	N5	C16	N3	179.5°	179.9°
C15	N5	C16	C17	0.2°	0.0°
N5	C15	N4	C18	0.3°	0.1°
N3	C16	N5	C17	179.7°	179.9°
N3	C16	C17	C19	0.5°	0.1°
N3	C16	C17	C18	178.9°	180.0°
N5	C16	C17	C19	179.8°	180.0°
N5	C16	C17	C18	0.8°	0.1°
C16	N5	C15	H15	179.6°	179.7°
N5	C16	N3	HN3	174.6°	175.8°
C16	C17	C19	C18	179.4°	179.9°
C16	C17	C19	N7	142.2°	174.6°
C16	C17	C18	N4	0.9°	0.1°
C16	C17	C19	H19	37.8°	5.4°
C17	C16	N3	HN3	5.2°	4.3°
C17	C19	N7	H19	180.0°	180.0°
C19	C17	C18	N4	179.7°	180.0°
C17	C19	N7	O1	179.3°	180.0°
C19	N7	O1	C20	179.4°	180.0°
N7	C19	C17	C18	37.2°	5.4°
C21	C20	O1	H20	120.0°	120.0°
C21	C20	O1	H20A	120.4°	120.0°
C20	C21	O2	H21	120.0°	120.0°
C20	C21	O2	H21A	120.1°	120.0°
C20	C21	O2	C22	179.2°	180.0°
C21	C20	O1	N7	151.9°	179.9°
C21	C20	H20	H20A	120.4°	120.0°
C20	C21	H21	H21A	120.1°	120.0°
O1	C20	C21	O2	179.6°	65.0°
O1	C20	H20	H20A	120.4°	120.0°
O1	C20	C21	H21	59.6°	175.0°
O1	C20	C21	H21A	60.3°	55.0°
O2	C21	C20	H20	59.6°	175.0°
O2	C21	C20	H20A	60.0°	55.1°
O2	C21	H21	H21A	120.1°	120.0°
C21	O2	C22	H22	176.8°	60.0°
C21	O2	C22	H22A	63.2°	60.0°
C21	O2	C22	H22B	56.8°	180.0°
C22	O2	C21	H21	59.2°	60.0°
C22	O2	C21	H21A	60.7°	60.0°
O2	C22	H22	H22A	120.0°	120.0°
O2	C22	H22	H22B	120.0°	120.0°
O2	C22	H22A	H22B	120.0°	120.0°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	H6	180.0°	180.0°
C6	C5	C4	H4	180.0°	179.7°
N2	N1	C7	H7	140.6°	150.0°
N2	N1	C7	H7A	20.4°	30.0°
N1	N2	C8	H8	179.9°	179.7°
N4	C18	N6	HN6	77.1°	16.2°
N4	C18	N6	HN6A	162.9°	163.9°
C18	N4	C15	H15	179.7°	179.7°
C17	C18	N6	HN6	102.4°	163.9°
C17	C18	N6	HN6A	17.6°	16.0°
C18	C17	C19	H19	142.8°	174.6°
O1	N7	C19	H19	0.7°	0.0°
N7	O1	C20	H20	31.9°	59.9°
N7	O1	C20	H20A	87.8°	60.0°
H10	C10	C11	H11	0.2°	0.0°
H20	C20	C21	H21	60.4°	55.0°
H20	C20	C21	H21A	179.7°	65.0°
H20A	C20	C21	H21	180.0°	64.9°
H20A	C20	C21	H21A	60.0°	175.0°
H22	C22	H22A	H22B	120.0°	120.0°
H4	C4	C5	H5	0.0°	0.0°
H5	C5	C6	H6	0.0°	0.3°

Definition date:	2007-12-07
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3BEL