P4A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.40Å	1.38Å	Aromatic
N1	C5	sing	1.35Å	1.39Å	Aromatic
N2	C3	doub	1.31Å	1.39Å	Aromatic
C3	C4	sing	1.42Å	1.49Å	Aromatic
C3	C6	sing	1.48Å	1.57Å	Aromatic
C4	C5	doub	1.36Å	1.44Å	Aromatic
C4	C7	sing	1.48Å	1.57Å	Aromatic
C5	C8	sing	1.51Å	1.54Å
C6	C21	doub	1.40Å	1.48Å	Aromatic
C6	C25	sing	1.39Å	1.47Å	Aromatic
C7	C12	doub	1.39Å	1.45Å	Aromatic
C7	C16	sing	1.39Å	1.47Å	Aromatic
C12	C13	sing	1.38Å	1.44Å	Aromatic
C13	C14	doub	1.39Å	1.46Å	Aromatic
C14	C15	sing	1.39Å	1.45Å	Aromatic
C14	O33	sing	1.36Å	1.41Å
C15	C16	doub	1.38Å	1.44Å	Aromatic
C21	C22	sing	1.39Å	1.44Å	Aromatic
C21	O30	sing	1.36Å	1.35Å
C22	C23	doub	1.39Å	1.45Å	Aromatic
C23	C24	sing	1.39Å	1.41Å	Aromatic
C23	O29	sing	1.36Å	1.36Å
C24	C25	doub	1.38Å	1.43Å	Aromatic
O33	C34	sing	1.43Å	1.46Å
N1	HN1	sing	0.97Å	1.00Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C8	H8B	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
O29	HO29	sing	0.97Å	0.95Å
O30	HO30	sing	0.97Å	0.95Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C34	H34B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C5	109.2°	108.4°
N1	N2	C3	110.6°	108.4°
N2	N1	HN1	125.4°	125.8°
N1	C5	C4	108.6°	107.8°
N1	C5	C8	120.3°	126.1°
C5	N1	HN1	125.4°	125.8°
N2	C3	C4	106.3°	107.9°
N2	C3	C6	125.0°	126.1°
C4	C3	C6	128.6°	126.1°
C3	C4	C5	105.3°	107.5°
C3	C4	C7	125.1°	126.3°
C3	C6	C21	121.7°	120.1°
C3	C6	C25	121.8°	120.1°
C5	C4	C7	129.6°	126.2°
C4	C5	C8	131.1°	126.1°
C4	C7	C12	121.3°	120.1°
C4	C7	C16	120.9°	120.0°
C5	C8	H8	109.5°	109.5°
C5	C8	H8A	109.5°	109.5°
C5	C8	H8B	109.5°	109.5°
C21	C6	C25	116.5°	119.8°
C6	C21	C22	120.1°	119.8°
C6	C21	O30	122.8°	120.1°
C6	C25	C24	122.3°	119.9°
C6	C25	H25	118.9°	120.0°
C12	C7	C16	117.7°	119.9°
C7	C12	C13	121.7°	120.0°
C7	C12	H12	119.2°	120.0°
C7	C16	C15	121.2°	119.9°
C7	C16	H16	119.4°	120.1°
C12	C13	C14	120.0°	120.0°
C13	C12	H12	119.2°	120.0°
C12	C13	H13	120.0°	120.0°
C13	C14	C15	119.6°	120.1°
C13	C14	O33	120.2°	119.9°
C14	C13	H13	120.0°	120.0°
C15	C14	O33	120.2°	119.9°
C14	C15	C16	119.8°	120.1°
C14	C15	H15	120.1°	120.0°
C14	O33	C34	111.1°	117.0°
C16	C15	H15	120.1°	119.9°
C15	C16	H16	119.4°	120.1°
C22	C21	O30	117.2°	120.1°
C21	C22	C23	120.6°	120.0°
C21	C22	H22	119.7°	120.0°
C21	O30	HO30	109.5°	114.0°
C22	C23	C24	120.5°	120.2°
C22	C23	O29	120.0°	119.9°
C23	C22	H22	119.7°	120.0°
C24	C23	O29	119.4°	119.9°
C23	C24	C25	120.0°	120.2°
C23	C24	H24	120.0°	119.9°
C23	O29	HO29	109.5°	114.0°
C25	C24	H24	120.0°	119.9°
C24	C25	H25	118.9°	120.0°
O33	C34	H34	109.5°	109.4°
O33	C34	H34A	109.5°	109.4°
O33	C34	H34B	109.4°	109.4°
H8	C8	H8A	109.5°	109.5°
H8	C8	H8B	109.4°	109.5°
H8A	C8	H8B	109.5°	109.4°
H34	C34	H34A	109.5°	109.5°
H34	C34	H34B	109.5°	109.5°
H34A	C34	H34B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	N1	C5	HN1	180.0°	179.7°
N1	N2	C3	C4	0.2°	0.0°
N1	N2	C3	C6	179.8°	179.9°
N2	N1	C5	C4	0.2°	0.0°
N2	N1	C5	C8	179.9°	180.0°
C5	N1	N2	C3	0.0°	0.0°
N1	C5	C4	C3	0.3°	0.0°
N1	C5	C4	C8	179.9°	180.0°
N1	C5	C4	C7	179.7°	180.0°
N1	C5	C8	H8	34.1°	90.0°
N1	C5	C8	H8A	85.9°	150.0°
N1	C5	C8	H8B	154.1°	30.0°
N2	C3	C4	C6	179.6°	180.0°
N2	C3	C4	C5	0.3°	0.0°
N2	C3	C4	C7	179.7°	180.0°
N2	C3	C6	C21	39.6°	47.1°
N2	C3	C6	C25	140.9°	132.5°
C3	N2	N1	HN1	180.0°	179.7°
C3	C4	C5	C7	180.0°	180.0°
C3	C4	C5	C8	179.8°	180.0°
C4	C3	C6	C21	139.9°	132.8°
C4	C3	C6	C25	39.6°	47.5°
C3	C4	C7	C12	70.4°	113.1°
C3	C4	C7	C16	108.9°	67.1°
C6	C3	C4	C5	179.9°	179.9°
C6	C3	C4	C7	0.1°	0.0°
C3	C6	C21	C25	179.5°	179.7°
C3	C6	C21	C22	178.9°	180.0°
C3	C6	C21	O30	0.6°	0.1°
C3	C6	C25	C24	179.0°	179.8°
C3	C6	C25	H25	1.0°	0.1°
C5	C4	C7	C12	109.6°	66.9°
C5	C4	C7	C16	71.2°	112.9°
C4	C5	N1	HN1	179.8°	179.7°
C4	C5	C8	H8	146.0°	90.0°
C4	C5	C8	H8A	94.0°	30.0°
C4	C5	C8	H8B	26.0°	150.0°
C7	C4	C5	C8	0.2°	0.0°
C4	C7	C12	C16	179.3°	179.8°
C4	C7	C12	C13	179.0°	180.0°
C4	C7	C16	C15	179.1°	179.7°
C4	C7	C12	H12	0.9°	0.0°
C4	C7	C16	H16	0.9°	0.1°
C8	C5	N1	HN1	0.1°	0.2°
C5	C8	H8	H8A	120.0°	120.0°
C5	C8	H8	H8B	120.0°	120.1°
C5	C8	H8A	H8B	120.0°	120.0°
C6	C21	C22	O30	179.6°	180.0°
C6	C21	C22	C23	0.2°	0.0°
C21	C6	C25	C24	0.4°	0.6°
C6	C21	C22	H22	179.9°	180.0°
C21	C6	C25	H25	179.5°	179.8°
C6	C21	O30	HO30	171.1°	90.0°
C25	C6	C21	C22	0.5°	0.3°
C25	C6	C21	O30	179.9°	179.7°
C6	C25	C24	C23	0.1°	0.6°
C6	C25	C24	H25	180.0°	179.7°
C6	C25	C24	H24	179.9°	179.6°
C7	C12	C13	H12	180.0°	180.0°
C7	C12	C13	C14	0.0°	0.1°
C12	C7	C16	C15	0.2°	0.5°
C7	C12	C13	H13	180.0°	180.0°
C12	C7	C16	H16	179.8°	179.7°
C16	C7	C12	C13	0.2°	0.2°
C7	C16	C15	C14	0.2°	0.5°
C7	C16	C15	H16	180.0°	179.7°
C16	C7	C12	H12	179.8°	179.8°
C7	C16	C15	H15	179.9°	179.7°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.3°	0.1°
C12	C13	C14	O33	179.6°	180.0°
C13	C14	C15	O33	179.9°	179.9°
C13	C14	C15	C16	0.4°	0.2°
C13	C14	O33	C34	86.1°	180.0°
C14	C13	C12	H12	180.0°	179.9°
C13	C14	C15	H15	179.6°	180.0°
C14	C15	C16	H15	180.0°	179.8°
C15	C14	O33	C34	93.8°	0.0°
C15	C14	C13	H13	179.7°	180.0°
C14	C15	C16	H16	179.9°	179.7°
O33	C14	C15	C16	179.5°	179.7°
O33	C14	C13	H13	0.4°	0.0°
O33	C14	C15	H15	0.4°	0.1°
C14	O33	C34	H34	115.1°	60.0°
C14	O33	C34	H34A	124.9°	60.0°
C14	O33	C34	H34B	4.9°	180.0°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	0.4°	0.0°
C21	C22	C23	O29	179.1°	180.0°
C22	C21	O30	HO30	8.5°	90.0°
O30	C21	C22	C23	179.7°	180.0°
O30	C21	C22	H22	0.3°	0.0°
C22	C23	C24	O29	179.5°	180.0°
C22	C23	C24	C25	0.5°	0.3°
C22	C23	C24	H24	179.5°	179.9°
C22	C23	O29	HO29	160.7°	90.0°
C23	C24	C25	H24	180.0°	179.8°
C24	C23	C22	H22	179.6°	180.0°
C23	C24	C25	H25	180.0°	179.8°
C24	C23	O29	HO29	19.8°	90.0°
O29	C23	C24	C25	179.0°	179.7°
O29	C23	C22	H22	0.9°	0.0°
O29	C23	C24	H24	1.0°	0.0°
O33	C34	H34	H34A	120.0°	120.0°
O33	C34	H34	H34B	120.0°	119.9°
O33	C34	H34A	H34B	120.0°	120.0°
H8	C8	H8A	H8B	120.0°	119.9°
H12	C12	C13	H13	0.0°	0.0°
H15	C15	C16	H16	0.1°	0.0°
H24	C24	C25	H25	0.1°	0.0°
H34	C34	H34A	H34B	120.0°	120.1°

Definition date:	2007-12-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZDX