TZK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O11	sing	1.43Å	1.39Å
C10	C09	sing	1.53Å	1.53Å
O11	C12	sing	1.43Å	1.39Å
C12	C13	sing	1.53Å	1.53Å
C09	N08	sing	1.47Å	1.46Å
N08	C13	sing	1.47Å	1.46Å
N08	S06	sing	1.66Å	1.70Å
O14	S06	doub	1.42Å	1.46Å
S06	O07	doub	1.42Å	1.46Å
S06	C05	sing	1.76Å	1.81Å
C05	C04	doub	1.38Å	1.38Å	Aromatic
C05	C15	sing	1.38Å	1.38Å	Aromatic
C04	C03	sing	1.38Å	1.38Å	Aromatic
C15	C16	doub	1.38Å	1.38Å	Aromatic
C03	C02	doub	1.38Å	1.38Å	Aromatic
C16	C02	sing	1.38Å	1.39Å	Aromatic
C02	C01	sing	1.51Å	1.52Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C03	H4	sing	1.08Å	1.08Å
C04	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.09Å	1.10Å
C09	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C10	C09	115.3°	109.2°
C10	O11	C12	118.2°	114.2°
O11	C10	H8	108.0°	109.6°
O11	C10	H9	108.0°	109.5°
C10	C09	N08	111.4°	108.4°
C10	C09	H6	109.0°	109.7°
C10	C09	H7	109.0°	109.7°
C09	C10	H8	108.0°	109.5°
C09	C10	H9	108.0°	109.5°
O11	C12	C13	116.7°	109.2°
O11	C12	H10	107.6°	109.5°
O11	C12	H11	107.6°	109.6°
C12	C13	N08	114.8°	108.4°
C13	C12	H10	107.6°	109.5°
C13	C12	H11	107.6°	109.5°
C12	C13	H12	108.1°	109.7°
C12	C13	H13	108.1°	109.7°
C09	N08	C13	105.9°	118.1°
C09	N08	S06	118.6°	121.0°
N08	C09	H6	109.0°	109.7°
N08	C09	H7	109.0°	109.6°
C13	N08	S06	118.4°	121.0°
N08	C13	H12	108.1°	109.6°
N08	C13	H13	108.1°	109.8°
N08	S06	O14	113.0°	106.4°
N08	S06	O07	111.6°	106.4°
N08	S06	C05	106.7°	107.2°
O14	S06	O07	103.0°	123.2°
O14	S06	C05	111.1°	106.4°
O07	S06	C05	111.4°	106.4°
S06	C05	C04	118.4°	120.0°
S06	C05	C15	120.8°	120.0°
C04	C05	C15	120.9°	119.9°
C05	C04	C03	119.7°	120.1°
C05	C04	H5	120.1°	120.0°
C05	C15	C16	119.3°	120.0°
C05	C15	H14	120.3°	120.0°
C04	C03	C02	119.7°	120.0°
C04	C03	H4	120.2°	120.0°
C03	C04	H5	120.2°	120.0°
C15	C16	C02	119.6°	120.0°
C16	C15	H14	120.3°	120.0°
C15	C16	H15	120.2°	120.0°
C03	C02	C16	120.8°	120.0°
C03	C02	C01	118.3°	120.0°
C02	C03	H4	120.2°	120.0°
C16	C02	C01	120.9°	120.0°
C02	C16	H15	120.2°	120.0°
C02	C01	H1	109.5°	109.4°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.5°	109.5°
H6	C09	H7	109.5°	109.7°
H8	C10	H9	109.5°	109.6°
H10	C12	H11	109.5°	109.5°
H12	C13	H13	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C10	C09	H8	120.8°	120.0°
O11	C10	C09	H9	120.8°	119.8°
C10	O11	C12	C13	35.9°	62.6°
O11	C10	C09	N08	35.7°	52.3°
O11	C10	C09	H6	156.0°	172.0°
O11	C10	C09	H7	84.6°	67.5°
O11	C10	H8	H9	117.4°	120.1°
C10	O11	C12	H10	85.2°	57.3°
C10	O11	C12	H11	156.9°	177.4°
C09	C10	O11	C12	16.5°	62.6°
C10	C09	N08	H6	120.3°	119.7°
C10	C09	N08	H7	120.3°	119.8°
C10	C09	N08	C13	65.1°	50.5°
C10	C09	N08	S06	159.0°	129.4°
C10	C09	H6	H7	119.1°	120.6°
C09	C10	H8	H9	117.4°	120.1°
O11	C12	C13	H10	121.0°	119.8°
O11	C12	C13	H11	121.0°	120.0°
O11	C12	C13	N08	2.6°	52.3°
C12	O11	C10	H8	137.3°	177.5°
C12	O11	C10	H9	104.3°	57.3°
O11	C12	H10	H11	116.7°	120.2°
O11	C12	C13	H12	123.4°	67.4°
O11	C12	C13	H13	118.1°	172.1°
C12	C13	N08	C09	45.9°	50.5°
C12	C13	N08	H12	120.8°	119.7°
C12	C13	N08	H13	120.8°	119.7°
C12	C13	N08	S06	178.1°	129.4°
C13	C12	H10	H11	116.7°	120.1°
C12	C13	H12	H13	117.6°	120.5°
C09	N08	C13	S06	136.0°	179.9°
C09	N08	S06	O14	32.7°	156.4°
C09	N08	S06	O07	148.3°	23.5°
C09	N08	S06	C05	89.7°	90.0°
N08	C09	H6	H7	119.1°	120.5°
N08	C09	C10	H8	85.2°	172.2°
N08	C09	C10	H9	156.5°	67.6°
C09	N08	C13	H12	74.9°	69.2°
C09	N08	C13	H13	166.7°	170.2°
C13	N08	S06	O14	163.2°	23.4°
C13	N08	S06	O07	81.2°	156.4°
C13	N08	S06	C05	40.8°	90.1°
C13	N08	C09	H6	174.6°	170.2°
C13	N08	C09	H7	55.2°	69.3°
N08	C13	C12	H10	118.4°	67.6°
N08	C13	C12	H11	123.7°	172.3°
N08	C13	H12	H13	117.6°	120.6°
N08	S06	O14	O07	120.6°	123.0°
N08	S06	O14	C05	119.9°	114.1°
N08	S06	O07	C05	119.2°	114.1°
N08	S06	C05	C04	78.3°	90.0°
N08	S06	C05	C15	100.8°	90.1°
S06	N08	C09	H6	38.7°	9.6°
S06	N08	C09	H7	80.7°	110.8°
S06	N08	C13	H12	61.1°	110.9°
S06	N08	C13	H13	57.3°	9.7°
O14	S06	O07	C05	119.2°	123.0°
O14	S06	C05	C04	45.3°	23.5°
O14	S06	C05	C15	135.6°	156.4°
O07	S06	C05	C04	159.6°	156.4°
O07	S06	C05	C15	21.3°	23.5°
S06	C05	C04	C15	179.1°	179.9°
S06	C05	C04	C03	179.6°	180.0°
S06	C05	C15	C16	179.7°	179.8°
S06	C05	C04	H5	0.4°	0.0°
S06	C05	C15	H14	0.3°	0.1°
C05	C04	C03	H5	180.0°	180.0°
C04	C05	C15	C16	0.6°	0.3°
C05	C04	C03	C02	0.1°	0.1°
C05	C04	C03	H4	179.9°	180.0°
C04	C05	C15	H14	179.4°	180.0°
C15	C05	C04	C03	0.5°	0.0°
C05	C15	C16	H14	180.0°	179.7°
C05	C15	C16	C02	0.3°	0.6°
C15	C05	C04	H5	179.5°	180.0°
C05	C15	C16	H15	179.7°	180.0°
C04	C03	C02	H4	180.0°	179.9°
C04	C03	C02	C16	0.2°	0.4°
C04	C03	C02	C01	179.8°	180.0°
C15	C16	C02	C03	0.1°	0.6°
C15	C16	C02	H15	180.0°	179.4°
C15	C16	C02	C01	179.9°	179.7°
C03	C02	C16	C01	180.0°	179.6°
C03	C02	C01	H1	90.0°	90.1°
C03	C02	C01	H2	150.0°	150.0°
C03	C02	C01	H3	30.0°	29.9°
C02	C03	C04	H5	179.9°	179.9°
C03	C02	C16	H15	179.9°	179.9°
C16	C02	C01	H1	90.0°	90.3°
C16	C02	C01	H2	30.0°	29.7°
C16	C02	C01	H3	150.0°	149.7°
C16	C02	C03	H4	179.8°	179.7°
C02	C16	C15	H14	179.7°	179.7°
C02	C01	H1	H2	120.0°	119.9°
C02	C01	H1	H3	120.0°	120.0°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	C03	H4	0.2°	0.1°
C01	C02	C16	H15	0.1°	0.3°
H1	C01	H2	H3	120.0°	120.1°
H4	C03	C04	H5	0.1°	0.1°
H6	C09	C10	H8	35.1°	68.0°
H6	C09	C10	H9	83.2°	52.2°
H7	C09	C10	H8	154.5°	52.5°
H7	C09	C10	H9	36.2°	172.7°
H10	C12	C13	H12	2.4°	172.7°
H10	C12	C13	H13	120.8°	52.2°
H11	C12	C13	H12	115.5°	52.6°
H11	C12	C13	H13	2.9°	67.9°
H14	C15	C16	H15	0.3°	0.3°

Release date:	2021-09-15
Definition date:	2021-01-14
Last modified:	2021-09-10
Release status:	REL
Processing site:	PDBE
Derived from:	7BJB