ZQD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C09	C10	sing	1.55Å	1.34Å
C09	C08	sing	1.55Å	1.62Å
C10	N11	sing	1.47Å	1.58Å
C08	C07	sing	1.54Å	1.34Å
C07	N11	sing	1.47Å	1.58Å
C07	C04	sing	1.51Å	1.53Å
N11	S12	sing	1.66Å	1.70Å
C15	S12	sing	1.81Å	1.84Å
N05	C04	doub	1.30Å	1.36Å	Aromatic
N05	O06	sing	1.21Å	1.36Å	Aromatic
C04	C03	sing	1.41Å	1.42Å	Aromatic
O14	S12	doub	1.42Å	1.45Å
S12	O13	doub	1.42Å	1.46Å
O06	C02	sing	1.34Å	1.34Å	Aromatic
C03	C02	doub	1.35Å	1.37Å	Aromatic
C02	C01	sing	1.51Å	1.56Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C01	H8	sing	1.09Å	1.10Å
C03	H9	sing	1.08Å	1.08Å
C07	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å
C09	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C09	C08	102.9°	101.6°
C09	C10	N11	106.2°	104.8°
C09	C10	H1	110.3°	110.3°
C09	C10	H2	110.3°	110.4°
C10	C09	H13	111.1°	111.0°
C10	C09	H14	111.1°	111.0°
C09	C08	C07	105.2°	102.9°
C09	C08	H11	110.6°	110.7°
C09	C08	H12	110.5°	110.9°
C08	C09	H13	111.1°	111.0°
C08	C09	H14	111.1°	111.0°
C10	N11	C07	102.9°	108.8°
C10	N11	S12	123.7°	125.6°
N11	C10	H1	110.3°	110.3°
N11	C10	H2	110.3°	110.4°
C08	C07	N11	105.7°	107.3°
C08	C07	C04	103.6°	109.9°
C08	C07	H10	109.6°	110.0°
C07	C08	H11	110.5°	110.7°
C07	C08	H12	110.5°	110.7°
N11	C07	C04	123.7°	109.9°
C07	N11	S12	124.4°	125.6°
N11	C07	H10	106.6°	109.9°
C07	C04	N05	127.0°	126.8°
C07	C04	C03	125.9°	126.8°
C04	C07	H10	107.1°	109.9°
N11	S12	C15	108.4°	104.5°
N11	S12	O14	113.1°	104.3°
N11	S12	O13	110.5°	104.3°
C15	S12	O14	110.5°	110.5°
C15	S12	O13	112.4°	110.5°
S12	C15	H3	109.5°	109.5°
S12	C15	H4	109.5°	109.5°
S12	C15	H5	109.5°	109.5°
C04	N05	O06	107.1°	111.6°
N05	C04	C03	106.9°	106.4°
N05	O06	C02	111.7°	111.6°
C04	C03	C02	107.8°	103.9°
C04	C03	H9	126.1°	128.0°
O14	S12	O13	101.8°	121.0°
O06	C02	C03	106.5°	106.4°
O06	C02	C01	126.0°	126.8°
C03	C02	C01	127.5°	126.7°
C02	C03	H9	126.1°	128.0°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.4°	109.5°
C02	C01	H8	109.5°	109.5°
H1	C10	H2	109.5°	110.4°
H3	C15	H4	109.5°	109.4°
H3	C15	H5	109.5°	109.5°
H4	C15	H5	109.4°	109.5°
H6	C01	H7	109.5°	109.4°
H6	C01	H8	109.4°	109.5°
H7	C01	H8	109.5°	109.5°
H11	C08	H12	109.5°	110.6°
H13	C09	H14	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C09	C08	H13	118.9°	118.1°
C10	C09	C08	H14	118.9°	118.1°
C09	C10	N11	H1	119.5°	118.8°
C09	C10	N11	H2	119.5°	118.9°
C10	C09	C08	C07	43.6°	35.5°
C09	C10	N11	C07	18.7°	24.1°
C09	C10	N11	S12	166.9°	155.9°
C09	C10	H1	H2	121.5°	122.3°
C10	C09	C08	H11	75.7°	82.9°
C10	C09	C08	H12	162.9°	153.9°
C10	C09	H13	H14	123.1°	123.9°
C08	C09	C10	N11	35.1°	37.0°
C09	C08	C07	H11	119.3°	118.4°
C09	C08	C07	H12	119.3°	118.6°
C09	C08	C07	N11	29.9°	22.2°
C09	C08	C07	C04	101.5°	141.6°
C08	C09	C10	H1	154.6°	81.8°
C08	C09	C10	H2	84.4°	155.9°
C09	C08	C07	H10	144.4°	97.3°
C09	C08	H11	H12	122.0°	123.4°
C08	C09	H13	H14	123.1°	123.9°
C10	N11	C07	C08	9.9°	1.0°
C10	N11	C07	S12	147.9°	180.0°
C10	N11	C07	C04	108.9°	118.4°
C10	N11	S12	C15	86.6°	90.0°
C10	N11	S12	O14	36.3°	153.9°
C10	N11	S12	O13	149.7°	26.1°
N11	C10	H1	H2	121.5°	122.3°
C10	N11	C07	H10	126.4°	120.6°
N11	C10	C09	H13	154.0°	81.1°
N11	C10	C09	H14	83.9°	155.0°
C08	C07	N11	C04	118.8°	119.4°
C08	C07	N11	H10	116.6°	119.6°
C08	C07	C04	H10	115.8°	121.1°
C08	C07	N11	S12	138.0°	178.9°
C08	C07	C04	N05	68.7°	92.8°
C08	C07	C04	C03	104.8°	87.2°
C07	C08	H11	H12	121.9°	123.1°
C07	C08	C09	H13	162.5°	82.6°
C07	C08	C09	H14	75.3°	153.6°
N11	C07	C04	H10	124.4°	121.1°
C07	N11	S12	C15	54.9°	90.0°
N11	C07	C04	N05	51.0°	25.0°
N11	C07	C04	C03	135.4°	155.0°
C07	N11	S12	O14	177.8°	26.1°
C07	N11	S12	O13	68.8°	154.0°
C07	N11	C10	H1	138.1°	94.7°
C07	N11	C10	H2	100.8°	143.0°
N11	C07	C08	H11	89.5°	96.2°
N11	C07	C08	H12	149.2°	140.8°
C04	C07	N11	S12	103.2°	61.7°
C07	C04	N05	C03	174.6°	180.0°
C07	C04	N05	O06	175.8°	179.7°
C07	C04	C03	C02	176.6°	180.0°
C07	C04	C03	H9	3.4°	0.0°
C04	C07	C08	H11	139.1°	23.2°
C04	C07	C08	H12	17.8°	99.8°
N11	S12	C15	O14	124.4°	111.6°
N11	S12	C15	O13	122.5°	111.7°
N11	S12	O14	O13	118.6°	116.7°
S12	N11	C10	H1	73.7°	85.3°
S12	N11	C10	H2	47.4°	36.9°
N11	S12	C15	H3	180.0°	60.0°
N11	S12	C15	H4	60.0°	180.0°
N11	S12	C15	H5	60.0°	60.0°
S12	N11	C07	H10	21.4°	59.4°
C15	S12	O14	O13	119.7°	131.5°
S12	C15	H3	H4	120.0°	120.0°
S12	C15	H3	H5	120.0°	120.0°
S12	C15	H4	H5	120.0°	120.0°
C04	N05	O06	C02	0.1°	0.5°
N05	C04	C03	C02	1.9°	0.0°
N05	C04	C03	H9	178.1°	180.0°
N05	C04	C07	H10	175.4°	146.1°
O06	N05	C04	C03	1.2°	0.3°
N05	O06	C02	C03	1.1°	0.5°
N05	O06	C02	C01	178.6°	179.9°
C04	C03	C02	O06	1.8°	0.3°
C04	C03	C02	H9	180.0°	180.0°
C04	C03	C02	C01	177.8°	179.9°
C03	C04	C07	H10	11.0°	34.0°
O14	S12	C15	H3	55.6°	51.6°
O14	S12	C15	H4	64.5°	68.4°
O14	S12	C15	H5	175.6°	171.6°
O13	S12	C15	H3	57.5°	171.7°
O13	S12	C15	H4	177.5°	68.4°
O13	S12	C15	H5	62.5°	51.6°
O06	C02	C03	C01	179.7°	179.7°
O06	C02	C01	H6	0.0°	90.3°
O06	C02	C01	H7	120.0°	29.6°
O06	C02	C01	H8	120.0°	149.6°
O06	C02	C03	H9	178.2°	179.7°
C03	C02	C01	H6	179.6°	90.0°
C03	C02	C01	H7	59.6°	150.0°
C03	C02	C01	H8	60.4°	30.0°
C02	C01	H6	H7	120.0°	120.0°
C02	C01	H6	H8	120.0°	120.0°
C02	C01	H7	H8	120.0°	120.0°
C01	C02	C03	H9	2.2°	0.0°
H1	C10	C09	H13	86.5°	160.1°
H1	C10	C09	H14	35.6°	36.2°
H2	C10	C09	H13	34.6°	37.8°
H2	C10	C09	H14	156.7°	86.0°
H3	C15	H4	H5	120.0°	120.0°
H6	C01	H7	H8	120.0°	120.0°
H10	C07	C08	H11	25.1°	144.3°
H10	C07	C08	H12	96.3°	21.3°
H11	C08	C09	H13	43.2°	159.0°
H11	C08	C09	H14	165.4°	35.2°
H12	C08	C09	H13	78.2°	35.8°
H12	C08	C09	H14	44.0°	88.0°

Release date:	2021-06-09
Definition date:	2021-05-19
Last modified:	2021-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	5SAA