BZ1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C9	C10	doub	1.35Å	1.55Å	Aromatic
C9	C11	sing	1.52Å	1.54Å
C9	C8	sing	1.39Å	1.34Å	Aromatic
C10	S2	sing	1.75Å	1.79Å	Aromatic
C10	S3	sing	1.77Å	1.80Å
C11	C12	sing	1.52Å	1.54Å
C11	N1	sing	1.47Å	1.51Å
C11	H11	sing	1.09Å	1.10Å
C12	N3	sing	1.47Å	1.50Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
S1	N2	sing	1.66Å	1.67Å
S1	O3	doub	1.42Å	1.59Å
S1	O4	doub	1.42Å	1.58Å
S1	C7	sing	1.76Å	1.76Å
C4	O1	sing	1.43Å	1.44Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.54Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C5	H53	sing	1.09Å	1.10Å
C6	N1	sing	1.47Å	1.50Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
S2	C7	sing	1.76Å	1.77Å	Aromatic
N2	HN21	sing	0.97Å	1.00Å
N2	HN22	sing	0.97Å	1.00Å
C7	C8	doub	1.33Å	1.33Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
S3	O2	doub	1.42Å	1.59Å
S3	O5	doub	1.42Å	1.59Å
S3	N3	sing	1.67Å	1.72Å
N3	C2	sing	1.47Å	1.49Å
N1	HN1	sing	1.01Å	1.00Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
O1	C1	sing	1.43Å	1.45Å
C1	H11A	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	110.7°	109.5°
C4	C3	H31	109.2°	109.5°
C4	C3	H32	109.1°	109.4°
C3	C4	O1	109.8°	109.5°
C3	C4	H41	109.4°	109.4°
C3	C4	H42	109.4°	109.5°
C2	C3	H31	109.1°	109.5°
C2	C3	H32	109.2°	109.5°
C3	C2	N3	113.8°	109.5°
C3	C2	H21	108.4°	109.5°
C3	C2	H22	108.4°	109.5°
H31	C3	H32	109.5°	109.5°
C10	C9	C11	121.9°	123.8°
C10	C9	C8	109.3°	112.8°
C9	C10	S2	112.8°	110.7°
C9	C10	S3	120.5°	123.0°
C11	C9	C8	128.8°	123.4°
C9	C11	C12	111.0°	112.4°
C9	C11	N1	118.0°	109.0°
C9	C11	H11	107.9°	108.9°
C9	C8	C7	112.5°	116.0°
C9	C8	H8	123.8°	122.0°
S2	C10	S3	126.6°	126.4°
C10	S2	C7	83.9°	90.9°
C10	S3	O2	109.9°	107.0°
C10	S3	O5	113.5°	107.0°
C10	S3	N3	105.1°	103.0°
C12	C11	N1	103.4°	108.9°
C12	C11	H11	107.9°	108.8°
C11	C12	N3	117.7°	110.6°
C11	C12	H121	107.4°	109.3°
C11	C12	H122	107.4°	109.2°
N1	C11	H11	108.2°	108.8°
C11	N1	C6	118.6°	111.0°
C11	N1	HN1	107.2°	110.9°
N3	C12	H121	107.4°	109.3°
N3	C12	H122	107.4°	109.2°
C12	N3	S3	107.2°	115.6°
C12	N3	C2	119.0°	122.2°
H121	C12	H122	109.5°	109.2°
N2	S1	O3	102.0°	106.4°
N2	S1	O4	105.3°	106.4°
N2	S1	C7	109.3°	107.2°
S1	N2	HN21	109.5°	120.0°
S1	N2	HN22	109.5°	120.0°
O3	S1	O4	115.8°	123.1°
O3	S1	C7	117.5°	106.4°
O4	S1	C7	106.1°	106.4°
S1	C7	S2	110.1°	125.2°
S1	C7	C8	128.5°	125.2°
O1	C4	H41	109.4°	109.5°
O1	C4	H42	109.4°	109.5°
C4	O1	C1	121.2°	114.0°
H41	C4	H42	109.5°	109.5°
C6	C5	H51	109.5°	109.5°
C6	C5	H52	109.5°	109.5°
C6	C5	H53	109.5°	109.4°
C5	C6	N1	107.4°	109.5°
C5	C6	H61	110.0°	109.4°
C5	C6	H62	110.0°	109.5°
H51	C5	H52	109.5°	109.5°
H51	C5	H53	109.5°	109.5°
H52	C5	H53	109.4°	109.5°
N1	C6	H61	110.0°	109.5°
N1	C6	H62	110.0°	109.5°
C6	N1	HN1	107.2°	111.1°
H61	C6	H62	109.5°	109.4°
S2	C7	C8	121.4°	109.6°
HN21	N2	HN22	109.4°	119.9°
C7	C8	H8	123.8°	122.0°
O2	S3	O5	109.5°	123.7°
O2	S3	N3	109.4°	107.0°
O5	S3	N3	109.2°	107.2°
S3	N3	C2	114.8°	122.2°
N3	C2	H21	108.4°	109.4°
N3	C2	H22	108.4°	109.5°
H21	C2	H22	109.5°	109.4°
O1	C1	H11A	109.5°	109.4°
O1	C1	H12	109.5°	109.5°
O1	C1	H13	109.5°	109.5°
H11A	C1	H12	109.5°	109.5°
H11A	C1	H13	109.5°	109.5°
H12	C1	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H31	120.2°	120.0°
C4	C3	C2	H32	120.2°	120.0°
C4	C3	H31	H32	119.4°	119.9°
C3	C4	O1	H41	120.0°	120.0°
C3	C4	O1	H42	120.0°	120.0°
C3	C4	H41	H42	119.9°	119.9°
C4	C3	C2	N3	123.0°	180.0°
C4	C3	C2	H21	116.4°	60.0°
C4	C3	C2	H22	2.3°	59.9°
C3	C4	O1	C1	68.0°	180.0°
C2	C3	H31	H32	119.4°	120.1°
C3	C2	N3	C12	109.0°	85.0°
C2	C3	C4	O1	111.0°	180.0°
C2	C3	C4	H41	9.0°	59.9°
C2	C3	C4	H42	129.0°	60.0°
C3	C2	N3	S3	121.9°	95.0°
C3	C2	N3	H21	120.7°	120.0°
C3	C2	N3	H22	120.7°	120.1°
C3	C2	H21	H22	118.0°	120.0°
H31	C3	C4	O1	9.2°	60.0°
H31	C3	C4	H41	129.2°	60.1°
H31	C3	C4	H42	110.8°	180.0°
H31	C3	C2	N3	2.8°	60.0°
H31	C3	C2	H21	123.4°	180.0°
H31	C3	C2	H22	117.9°	60.1°
H32	C3	C4	O1	128.8°	60.0°
H32	C3	C4	H41	111.1°	180.0°
H32	C3	C4	H42	8.8°	60.1°
H32	C3	C2	N3	116.9°	60.0°
H32	C3	C2	H21	3.8°	60.0°
H32	C3	C2	H22	122.5°	179.9°
C10	C9	C11	C8	178.7°	179.8°
C9	C10	S2	S3	176.9°	179.5°
C10	C9	C11	C12	14.8°	25.1°
C10	C9	C11	N1	133.9°	145.9°
C10	C9	C11	H11	103.2°	95.6°
C9	C10	S2	C7	3.3°	0.6°
C10	C9	C8	C7	2.0°	0.6°
C10	C9	C8	H8	178.0°	179.3°
C9	C10	S3	O2	133.3°	119.2°
C9	C10	S3	O5	103.6°	106.3°
C9	C10	S3	N3	15.7°	6.6°
C11	C9	C10	S2	177.2°	179.0°
C11	C9	C10	S3	0.0°	1.5°
C9	C11	C12	N1	127.5°	120.8°
C9	C11	C12	H11	118.0°	120.7°
C9	C11	N1	H11	122.8°	118.6°
C9	C11	C12	N3	55.6°	56.5°
C9	C11	C12	H121	176.8°	176.9°
C9	C11	C12	H122	65.6°	63.8°
C9	C11	N1	C6	67.3°	154.5°
C11	C9	C8	C7	179.1°	179.2°
C11	C9	C8	H8	0.8°	0.9°
C9	C11	N1	HN1	171.4°	30.5°
C8	C9	C10	S2	3.9°	0.8°
C8	C9	C10	S3	179.0°	178.8°
C8	C9	C11	C12	163.9°	155.1°
C8	C9	C11	N1	44.8°	34.3°
C8	C9	C11	H11	78.1°	84.2°
C9	C8	C7	S1	179.6°	179.8°
C9	C8	C7	S2	0.7°	0.2°
C9	C8	C7	H8	180.0°	179.9°
C10	S2	C7	S1	178.4°	179.8°
C10	S2	C7	C8	2.5°	0.3°
S2	C10	S3	O2	43.4°	61.3°
S2	C10	S3	O5	79.6°	73.2°
S2	C10	S3	N3	161.0°	174.0°
C10	S3	N3	C12	47.0°	38.3°
S3	C10	S2	C7	179.7°	178.9°
C10	S3	O2	O5	125.4°	125.0°
C10	S3	O2	N3	114.9°	109.9°
C10	S3	O5	N3	117.0°	110.0°
C10	S3	N3	C2	87.8°	141.8°
C12	C11	N1	H11	114.2°	118.5°
C11	C12	N3	H121	121.2°	120.4°
C11	C12	N3	H122	121.2°	120.2°
C11	C12	H121	H122	116.2°	119.4°
C12	C11	N1	C6	55.6°	82.6°
C11	C12	N3	S3	74.0°	66.0°
C11	C12	N3	C2	58.5°	114.0°
C12	C11	N1	HN1	65.7°	153.4°
N1	C11	C12	N3	176.9°	177.3°
N1	C11	C12	H121	55.7°	62.3°
N1	C11	C12	H122	61.9°	57.1°
C11	N1	C6	C5	97.6°	175.0°
C11	N1	C6	HN1	121.3°	123.9°
C11	N1	C6	H61	142.7°	65.1°
C11	N1	C6	H62	22.1°	54.9°
H11	C11	C12	N3	62.5°	64.2°
H11	C11	C12	H121	58.7°	56.1°
H11	C11	C12	H122	176.4°	175.5°
H11	C11	N1	C6	169.9°	35.9°
H11	C11	N1	HN1	48.6°	88.1°
N3	C12	H121	H122	116.3°	119.4°
C12	N3	S3	O2	164.9°	150.9°
C12	N3	S3	O5	75.2°	74.4°
C12	N3	S3	C2	134.7°	180.0°
C12	N3	C2	H21	11.7°	35.0°
C12	N3	C2	H22	130.4°	155.0°
H121	C12	N3	S3	164.8°	173.6°
H121	C12	N3	C2	62.7°	6.4°
H122	C12	N3	S3	47.2°	54.2°
H122	C12	N3	C2	179.7°	125.8°
N2	S1	O3	O4	113.7°	122.9°
N2	S1	O3	C7	119.5°	114.1°
N2	S1	O4	C7	115.9°	114.1°
N2	S1	C7	S2	147.8°	90.0°
S1	N2	HN21	HN22	120.0°	179.9°
N2	S1	C7	C8	33.2°	90.0°
O3	S1	O4	C7	132.3°	123.0°
O3	S1	C7	S2	96.7°	156.5°
O3	S1	N2	HN21	180.0°	6.5°
O3	S1	N2	HN22	60.0°	173.6°
O3	S1	C7	C8	82.3°	23.6°
O4	S1	C7	S2	34.7°	23.6°
O4	S1	N2	HN21	58.8°	126.4°
O4	S1	N2	HN22	178.7°	53.5°
O4	S1	C7	C8	146.3°	156.5°
S1	C7	S2	C8	179.1°	180.0°
C7	S1	N2	HN21	54.8°	120.1°
C7	S1	N2	HN22	65.1°	60.0°
S1	C7	C8	H8	0.4°	0.2°
O1	C4	H41	H42	119.9°	120.0°
C4	O1	C1	H11A	180.0°	60.0°
C4	O1	C1	H12	60.0°	180.0°
C4	O1	C1	H13	60.0°	60.0°
H41	C4	O1	C1	172.0°	60.0°
H42	C4	O1	C1	52.0°	60.0°
C6	C5	H51	H52	120.0°	120.0°
C6	C5	H51	H53	120.0°	119.9°
C6	C5	H52	H53	120.0°	120.0°
C5	C6	N1	H61	119.7°	120.0°
C5	C6	N1	H62	119.7°	120.1°
C5	C6	H61	H62	120.9°	120.0°
C5	C6	N1	HN1	141.1°	61.1°
H51	C5	H52	H53	120.0°	120.0°
H51	C5	C6	N1	180.0°	60.0°
H51	C5	C6	H61	60.3°	60.0°
H51	C5	C6	H62	60.3°	180.0°
H52	C5	C6	N1	60.0°	60.0°
H52	C5	C6	H61	59.7°	180.0°
H52	C5	C6	H62	179.7°	60.0°
H53	C5	C6	N1	60.0°	180.0°
H53	C5	C6	H61	179.7°	60.0°
H53	C5	C6	H62	59.7°	60.0°
N1	C6	H61	H62	121.0°	120.0°
H61	C6	N1	HN1	21.4°	58.9°
H62	C6	N1	HN1	99.2°	178.8°
S2	C7	C8	H8	179.3°	179.8°
O2	S3	O5	N3	119.8°	125.1°
O2	S3	N3	C2	30.2°	29.1°
O5	S3	N3	C2	150.1°	105.5°
S3	N3	C2	H21	117.4°	145.0°
S3	N3	C2	H22	1.3°	25.1°
N3	C2	H21	H22	118.0°	120.0°
O1	C1	H11A	H12	120.0°	120.0°
O1	C1	H11A	H13	120.0°	120.0°
O1	C1	H12	H13	120.0°	120.0°
H11A	C1	H12	H13	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3ZNC