PZQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C4	sing	1.51Å	1.53Å
C1	N1	sing	1.35Å	1.38Å
C1	O1	doub	1.21Å	1.24Å
C2	C3	sing	1.53Å	1.55Å
C2	C13	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.56Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.55Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.55Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C6	C13	sing	1.53Å	1.54Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	doub	1.38Å	1.37Å	Aromatic
C7	C19	sing	1.38Å	1.38Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C12	sing	1.39Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.53Å	1.51Å
C9	C12	sing	1.51Å	1.50Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C10	N2	sing	1.48Å	1.46Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
C11	C12	doub	1.37Å	1.39Å	Aromatic
C11	C17	sing	1.50Å	1.53Å
C11	C18	sing	1.39Å	1.39Å	Aromatic
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.12Å
C14	C15	sing	1.51Å	1.50Å
C14	N2	sing	1.34Å	1.35Å
C14	O2	doub	1.21Å	1.23Å
C15	N1	sing	1.47Å	1.44Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å
C16	C17	sing	1.52Å	1.52Å
C16	N1	sing	1.47Å	1.48Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.12Å
C17	N2	sing	1.45Å	1.46Å
C17	H17	sing	1.09Å	1.11Å
C18	C19	doub	1.38Å	1.37Å	Aromatic
C18	H18	sing	1.08Å	1.10Å
C19	H19	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C1	N1	126.7°	120.0°
C4	C1	O1	113.7°	120.0°
C1	C4	C3	112.8°	109.5°
C1	C4	C5	116.0°	109.6°
C1	C4	H4	103.2°	109.5°
N1	C1	O1	119.6°	120.0°
C1	N1	C15	112.2°	121.5°
C1	N1	C16	131.8°	121.5°
C3	C2	C13	112.2°	109.4°
C3	C2	H21	111.2°	109.5°
C3	C2	H22	111.2°	109.5°
C2	C3	C4	111.6°	109.5°
C2	C3	H31	111.4°	109.5°
C2	C3	H32	111.4°	109.5°
C13	C2	H21	111.2°	109.5°
C13	C2	H22	111.2°	109.4°
C2	C13	C6	111.6°	109.4°
C2	C13	H131	111.5°	109.5°
C2	C13	H132	111.5°	109.5°
H21	C2	H22	99.2°	109.5°
C4	C3	H31	111.4°	109.4°
C4	C3	H32	111.4°	109.5°
C3	C4	C5	112.6°	109.4°
C3	C4	H4	107.5°	109.4°
H31	C3	H32	99.0°	109.4°
C5	C4	H4	103.4°	109.5°
C4	C5	C6	111.4°	109.5°
C4	C5	H51	111.6°	109.5°
C4	C5	H52	111.5°	109.4°
C6	C5	H51	111.4°	109.5°
C6	C5	H52	111.5°	109.5°
C5	C6	C13	111.7°	109.5°
C5	C6	H61	111.4°	109.5°
C5	C6	H62	111.4°	109.5°
H51	C5	H52	98.8°	109.4°
C13	C6	H61	111.4°	109.5°
C13	C6	H62	111.4°	109.4°
C6	C13	H131	111.4°	109.5°
C6	C13	H132	111.4°	109.5°
H61	C6	H62	99.0°	109.4°
C8	C7	C19	118.9°	119.8°
C8	C7	H7	120.3°	120.1°
C7	C8	C12	122.1°	120.6°
C7	C8	H8	118.1°	119.6°
C19	C7	H7	120.8°	120.1°
C7	C19	C18	120.2°	119.7°
C7	C19	H19	120.1°	120.1°
C12	C8	H8	119.8°	119.8°
C8	C12	C9	120.7°	117.8°
C8	C12	C11	118.6°	119.6°
C10	C9	C12	110.6°	111.1°
C10	C9	H91	111.8°	109.1°
C10	C9	H92	111.8°	109.1°
C9	C10	N2	109.6°	107.6°
C9	C10	H101	112.1°	109.8°
C9	C10	H102	112.1°	109.8°
C12	C9	H91	111.8°	109.2°
C12	C9	H92	111.8°	109.1°
C9	C12	C11	120.6°	122.7°
H91	C9	H92	98.6°	109.1°
N2	C10	H101	112.1°	109.8°
N2	C10	H102	112.1°	109.9°
C10	N2	C14	120.0°	118.5°
C10	N2	C17	115.5°	116.6°
H101	C10	H102	98.3°	109.9°
C12	C11	C17	122.5°	122.0°
C12	C11	C18	118.9°	119.9°
C17	C11	C18	118.5°	118.1°
C11	C17	C16	111.7°	111.2°
C11	C17	N2	111.3°	110.3°
C11	C17	H17	106.8°	106.8°
C11	C18	C19	121.2°	120.4°
C11	C18	H18	120.2°	119.8°
H131	C13	H132	98.9°	109.4°
C15	C14	N2	119.2°	121.3°
C15	C14	O2	118.0°	119.3°
C14	C15	N1	113.6°	107.3°
C14	C15	H151	110.7°	109.9°
C14	C15	H152	110.7°	109.9°
N2	C14	O2	122.8°	119.3°
C14	N2	C17	123.9°	124.9°
N1	C15	H151	110.7°	109.9°
N1	C15	H152	110.7°	109.9°
C15	N1	C16	112.3°	117.0°
H151	C15	H152	99.6°	109.9°
C17	C16	N1	107.1°	110.8°
C17	C16	H161	113.1°	109.2°
C17	C16	H162	113.1°	109.2°
C16	C17	N2	109.9°	114.6°
C16	C17	H17	108.3°	106.9°
N1	C16	H161	113.1°	109.2°
N1	C16	H162	113.1°	109.2°
H161	C16	H162	97.3°	109.2°
N2	C17	H17	108.7°	106.6°
C19	C18	H18	118.6°	119.8°
C18	C19	H19	119.7°	120.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C1	N1	O1	178.1°	179.9°
C1	C4	C3	C2	174.4°	179.9°
C1	C4	C3	C5	133.7°	120.1°
C1	C4	C3	H4	113.1°	119.9°
C1	C4	C3	H31	60.3°	59.9°
C1	C4	C3	H32	49.2°	60.0°
C1	C4	C5	H4	112.2°	120.1°
C1	C4	C5	C6	175.2°	180.0°
C1	C4	C5	H51	59.5°	59.9°
C1	C4	C5	H52	50.0°	60.0°
C4	C1	N1	C15	107.0°	5.5°
C4	C1	N1	C16	49.3°	174.6°
N1	C1	C4	C3	125.8°	152.9°
N1	C1	C4	C5	6.2°	87.1°
N1	C1	C4	H4	118.5°	33.0°
C1	N1	C15	C14	152.9°	126.7°
C1	N1	C15	C16	161.1°	180.0°
C1	N1	C15	H151	27.7°	113.8°
C1	N1	C15	H152	81.8°	7.3°
C1	N1	C16	C17	137.6°	124.7°
C1	N1	C16	H161	97.1°	115.0°
C1	N1	C16	H162	12.3°	4.3°
O1	C1	C4	C3	52.3°	27.2°
O1	C1	C4	C5	175.6°	92.8°
O1	C1	C4	H4	63.3°	147.1°
O1	C1	N1	C15	71.1°	174.5°
O1	C1	N1	C16	132.7°	5.5°
C3	C2	C13	H21	125.2°	120.0°
C3	C2	C13	H22	125.3°	120.0°
C3	C2	H21	H22	117.1°	120.1°
C2	C3	C4	H31	125.2°	120.0°
C2	C3	C4	H32	125.2°	120.1°
C2	C3	H31	H32	117.3°	120.0°
C2	C3	C4	C5	51.9°	60.0°
C2	C3	C4	H4	61.3°	60.0°
C3	C2	C13	C6	54.7°	60.0°
C3	C2	C13	H131	179.9°	180.0°
C3	C2	C13	H132	70.6°	60.0°
C13	C2	H21	H22	117.1°	120.0°
C13	C2	C3	C4	52.7°	60.0°
C13	C2	C3	H31	72.6°	180.0°
C13	C2	C3	H32	177.9°	60.1°
C2	C13	C6	C5	55.4°	60.0°
C2	C13	C6	H131	125.3°	120.0°
C2	C13	C6	H132	125.3°	120.0°
C2	C13	C6	H61	179.4°	60.0°
C2	C13	C6	H62	69.9°	179.9°
C2	C13	H131	H132	117.4°	120.0°
H21	C2	C3	C4	72.6°	59.9°
H21	C2	C3	H31	162.2°	60.0°
H21	C2	C3	H32	52.7°	180.0°
H21	C2	C13	C6	70.6°	60.0°
H21	C2	C13	H131	54.7°	60.1°
H21	C2	C13	H132	164.2°	180.0°
H22	C2	C3	C4	177.9°	180.0°
H22	C2	C3	H31	52.7°	60.0°
H22	C2	C3	H32	56.8°	59.9°
H22	C2	C13	C6	180.0°	180.0°
H22	C2	C13	H131	54.8°	60.0°
H22	C2	C13	H132	54.7°	60.0°
C4	C3	H31	H32	117.3°	120.0°
C3	C4	C5	H4	115.7°	119.9°
C3	C4	C5	C6	52.6°	60.0°
C3	C4	C5	H51	72.6°	60.1°
C3	C4	C5	H52	177.9°	180.0°
H31	C3	C4	C5	73.4°	180.0°
H31	C3	C4	H4	173.4°	60.0°
H32	C3	C4	C5	177.1°	60.1°
H32	C3	C4	H4	63.9°	179.9°
C4	C5	C6	H51	125.3°	120.1°
C4	C5	C6	H52	125.3°	119.9°
C4	C5	H51	H52	117.4°	119.9°
C4	C5	C6	C13	54.2°	60.1°
C4	C5	C6	H61	179.5°	60.0°
C4	C5	C6	H62	71.1°	180.0°
H4	C4	C5	C6	63.0°	59.9°
H4	C4	C5	H51	171.7°	NaN°
H4	C4	C5	H52	62.2°	60.1°
C6	C5	H51	H52	117.3°	120.0°
C5	C6	C13	H61	125.2°	120.0°
C5	C6	C13	H62	125.3°	120.0°
C5	C6	H61	H62	117.3°	120.0°
C5	C6	C13	H131	179.4°	180.0°
C5	C6	C13	H132	70.0°	60.0°
H51	C5	C6	C13	71.1°	60.0°
H51	C5	C6	H61	54.2°	179.9°
H51	C5	C6	H62	163.6°	60.0°
H52	C5	C6	C13	179.5°	180.0°
H52	C5	C6	H61	55.2°	59.9°
H52	C5	C6	H62	54.2°	60.0°
C13	C6	H61	H62	117.3°	119.9°
C6	C13	H131	H132	117.3°	120.1°
H61	C6	C13	H131	54.1°	60.0°
H61	C6	C13	H132	55.3°	180.0°
H62	C6	C13	H131	55.4°	59.9°
H62	C6	C13	H132	164.8°	60.1°
C8	C7	C19	H7	179.9°	179.9°
C7	C8	C12	H8	179.9°	180.0°
C7	C8	C12	C9	177.1°	179.4°
C7	C8	C12	C11	0.9°	0.1°
C8	C7	C19	C18	0.6°	0.2°
C8	C7	C19	H19	179.4°	179.8°
C19	C7	C8	C12	0.5°	0.0°
C19	C7	C8	H8	179.5°	179.9°
C7	C19	C18	C11	0.8°	0.3°
C7	C19	C18	H19	180.0°	179.9°
C7	C19	C18	H18	179.3°	179.8°
H7	C7	C8	C12	179.4°	180.0°
H7	C7	C8	H8	0.5°	0.0°
H7	C7	C19	C18	179.3°	179.8°
H7	C7	C19	H19	0.6°	0.3°
C8	C12	C9	C10	156.0°	160.7°
C8	C12	C9	C11	178.0°	179.5°
C8	C12	C9	H91	78.7°	78.9°
C8	C12	C9	H92	30.7°	40.3°
C8	C12	C11	C17	179.9°	179.0°
C8	C12	C11	C18	2.3°	0.1°
H8	C8	C12	C9	2.9°	0.6°
H8	C8	C12	C11	179.0°	179.9°
C10	C9	C12	H91	125.3°	120.4°
C10	C9	C12	H92	125.3°	120.4°
C10	C9	H91	H92	117.7°	119.2°
C9	C10	N2	H101	125.2°	119.5°
C9	C10	N2	H102	125.2°	119.5°
C9	C10	H101	H102	118.1°	121.0°
C10	C9	C12	C11	22.1°	19.8°
C9	C10	N2	C14	124.7°	114.4°
C9	C10	N2	C17	64.2°	64.7°
C12	C9	H91	H92	117.7°	119.2°
C12	C9	C10	N2	52.9°	47.3°
C12	C9	C10	H101	72.3°	166.8°
C12	C9	C10	H102	178.2°	72.2°
C9	C12	C11	C17	2.1°	1.5°
C9	C12	C11	C18	175.8°	179.6°
H91	C9	C10	N2	72.4°	73.1°
H91	C9	C10	H101	162.4°	46.4°
H91	C9	C10	H102	52.9°	167.4°
H91	C9	C12	C11	103.3°	100.6°
H92	C9	C10	N2	178.2°	167.7°
H92	C9	C10	H101	52.9°	72.8°
H92	C9	C10	H102	56.6°	48.2°
H92	C9	C12	C11	147.3°	140.2°
N2	C10	H101	H102	118.1°	121.0°
C10	N2	C17	C11	38.2°	45.7°
C10	N2	C14	C15	177.2°	171.3°
C10	N2	C14	C17	170.4°	179.1°
C10	N2	C14	O2	4.1°	8.4°
C10	N2	C17	C16	162.4°	172.1°
C10	N2	C17	H17	79.2°	69.8°
H101	C10	N2	C14	110.1°	5.1°
H101	C10	N2	C17	61.1°	175.8°
H102	C10	N2	C14	0.6°	126.1°
H102	C10	N2	C17	170.6°	54.8°
C12	C11	C17	C18	177.8°	179.0°
C12	C11	C17	C16	127.9°	140.9°
C12	C11	C17	N2	4.7°	12.6°
C12	C11	C17	H17	113.8°	102.8°
C12	C11	C18	C19	2.2°	0.3°
C12	C11	C18	H18	177.8°	179.9°
C11	C17	N2	C14	151.0°	133.4°
C11	C17	C16	N2	124.0°	125.9°
C11	C17	C16	H17	117.3°	116.2°
C11	C17	C16	N1	177.7°	103.3°
C11	C17	C16	H161	52.4°	136.3°
C11	C17	C16	H162	57.0°	17.0°
C11	C17	N2	H17	117.4°	115.5°
C17	C11	C18	C19	179.8°	179.3°
C17	C11	C18	H18	0.1°	0.9°
C18	C11	C17	C16	54.2°	40.1°
C18	C11	C17	N2	177.4°	168.4°
C18	C11	C17	H17	64.0°	76.2°
C11	C18	C19	H18	179.9°	179.9°
C11	C18	C19	H19	179.2°	179.6°
C15	C14	N2	O2	178.7°	179.8°
C14	C15	N1	H151	125.3°	119.5°
C14	C15	N1	H152	125.3°	119.4°
C14	C15	H151	H152	116.6°	121.1°
C14	C15	N1	C16	46.0°	53.3°
C15	C14	N2	C17	6.8°	7.8°
N2	C14	C15	N1	15.4°	20.9°
N2	C14	C15	H151	140.7°	98.6°
N2	C14	C15	H152	109.8°	140.3°
C14	N2	C17	C16	26.8°	7.0°
C14	N2	C17	H17	91.6°	111.1°
O2	C14	C15	N1	165.9°	158.9°
O2	C14	C15	H151	40.6°	81.6°
O2	C14	C15	H152	68.9°	39.5°
O2	C14	N2	C17	174.5°	172.5°
N1	C15	H151	H152	116.5°	121.1°
C15	N1	C16	C17	66.1°	55.3°
C15	N1	C16	H161	59.2°	65.0°
C15	N1	C16	H162	168.6°	175.7°
H151	C15	N1	C16	171.3°	66.2°
H152	C15	N1	C16	79.3°	172.7°
C17	C16	N1	H161	125.3°	120.3°
C17	C16	N1	H162	125.3°	120.4°
C17	C16	H161	H162	119.0°	119.4°
C16	C17	N2	H17	118.4°	118.1°
N1	C16	H161	H162	119.0°	119.3°
N1	C16	C17	N2	53.7°	22.6°
N1	C16	C17	H17	65.0°	140.5°
H161	C16	C17	N2	71.6°	97.7°
H161	C16	C17	H17	169.7°	20.2°
H162	C16	C17	N2	179.0°	143.0°
H162	C16	C17	H17	60.3°	99.2°
H18	C18	C19	H19	0.8°	0.2°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB