TZH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.54Å	1.53Å
C13	C14	sing	1.54Å	1.53Å
C12	C11	sing	1.54Å	1.52Å
C14	C11	sing	1.54Å	1.53Å
C11	C10	sing	1.51Å	1.52Å
O17	N02	sing	1.22Å	1.17Å
O01	N02	doub	1.22Å	1.41Å
C10	O09	sing	1.34Å	1.40Å
C10	O15	doub	1.21Å	1.18Å
O09	C08	sing	1.36Å	1.40Å
N02	C03	sing	1.34Å	1.47Å
C08	C03	doub	1.41Å	1.39Å	Aromatic
C08	C07	sing	1.39Å	1.39Å	Aromatic
C03	C04	sing	1.41Å	1.40Å	Aromatic
C07	C06	doub	1.38Å	1.38Å	Aromatic
C04	C05	doub	1.36Å	1.39Å	Aromatic
C06	C05	sing	1.39Å	1.40Å	Aromatic
C06	C16	sing	1.51Å	1.52Å
C04	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
C07	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.09Å	1.10Å
C13	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
O17	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	90.3°	87.1°
C13	C12	C11	89.3°	87.1°
C13	C12	H5	114.2°	113.6°
C13	C12	H6	114.2°	113.7°
C12	C13	H7	114.0°	113.6°
C12	C13	H8	114.0°	113.6°
C13	C14	C11	89.3°	87.0°
C14	C13	H7	114.0°	113.5°
C14	C13	H8	114.0°	113.6°
C13	C14	H9	114.2°	113.6°
C13	C14	H10	114.3°	113.6°
C12	C11	C14	90.5°	87.2°
C12	C11	C10	108.8°	113.6°
C12	C11	H4	114.1°	113.7°
C11	C12	H5	114.3°	113.6°
C11	C12	H6	114.3°	113.6°
C14	C11	C10	112.8°	113.6°
C14	C11	H4	114.1°	113.7°
C11	C14	H9	114.2°	113.6°
C11	C14	H10	114.3°	113.7°
C11	C10	O09	117.0°	120.0°
C11	C10	O15	120.9°	120.0°
C10	C11	H4	114.1°	112.8°
O17	N02	O01	119.7°	120.0°
O17	N02	C03	118.4°	120.0°
N02	O17	H14	109.5°	117.0°
O01	N02	C03	121.9°	120.0°
O09	C10	O15	122.1°	120.0°
C10	O09	C08	118.8°	117.0°
O09	C08	C03	119.0°	120.2°
O09	C08	C07	120.1°	120.3°
N02	C03	C08	118.6°	120.3°
N02	C03	C04	121.9°	120.3°
C03	C08	C07	120.8°	119.5°
C08	C03	C04	119.5°	119.4°
C08	C07	C06	119.8°	120.0°
C08	C07	H3	120.1°	120.0°
C03	C04	C05	119.4°	119.9°
C03	C04	H1	120.3°	120.0°
C07	C06	C05	119.9°	120.6°
C07	C06	C16	117.8°	119.7°
C06	C07	H3	120.1°	120.0°
C04	C05	C06	120.5°	120.6°
C05	C04	H1	120.3°	120.1°
C04	C05	H2	119.8°	119.7°
C05	C06	C16	122.3°	119.7°
C06	C05	H2	119.8°	119.7°
C06	C16	H11	109.5°	109.4°
C06	C16	H12	109.5°	109.5°
C06	C16	H13	109.5°	109.5°
H5	C12	H6	109.5°	112.9°
H7	C13	H8	109.5°	112.9°
H9	C14	H10	109.5°	112.9°
H11	C16	H12	109.4°	109.5°
H11	C16	H13	109.5°	109.5°
H12	C16	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H7	116.6°	114.5°
C12	C13	C14	H8	116.6°	114.6°
C13	C12	C11	H5	116.4°	114.5°
C13	C12	C11	H6	116.4°	114.6°
C12	C13	C14	C11	5.5°	25.4°
C13	C12	C11	C10	108.8°	140.0°
C13	C12	C11	H4	122.4°	89.2°
C13	C12	H5	H6	129.5°	131.3°
C12	C13	H7	H8	129.0°	131.3°
C12	C13	C14	H9	110.9°	89.1°
C12	C13	C14	H10	122.0°	140.0°
C13	C14	C11	H9	116.4°	114.5°
C13	C14	C11	H10	116.4°	114.6°
C13	C14	C11	C10	105.2°	140.0°
C13	C14	C11	H4	122.4°	89.3°
C14	C13	C12	H5	122.0°	139.9°
C14	C13	C12	H6	110.9°	89.2°
C14	C13	H7	H8	129.1°	131.2°
C13	C14	H9	H10	129.6°	131.3°
C12	C11	C14	C10	110.7°	114.6°
C12	C11	C14	H4	116.9°	114.6°
C12	C11	C10	H4	128.8°	131.2°
C12	C11	C10	O09	70.4°	178.5°
C12	C11	C10	O15	107.9°	1.6°
C11	C12	H5	H6	129.6°	131.2°
C11	C12	C13	H7	122.2°	89.1°
C11	C12	C13	H8	111.1°	140.0°
C12	C11	C14	H9	110.9°	89.2°
C12	C11	C14	H10	122.0°	140.0°
C14	C11	C10	H4	132.4°	131.2°
C14	C11	C10	O09	28.5°	80.9°
C14	C11	C10	O15	153.3°	99.1°
C14	C11	C12	H5	121.9°	139.9°
C14	C11	C12	H6	110.9°	89.2°
C11	C14	C13	H7	122.2°	89.2°
C11	C14	C13	H8	111.1°	140.0°
C11	C14	H9	H10	129.6°	131.3°
C11	C10	O09	O15	178.2°	180.0°
C11	C10	O09	C08	158.0°	174.8°
C10	C11	C12	H5	7.6°	105.5°
C10	C11	C12	H6	134.8°	25.3°
C10	C11	C14	H9	138.4°	25.4°
C10	C11	C14	H10	11.2°	105.5°
O17	N02	O01	C03	179.8°	179.9°
O17	N02	C03	C08	123.8°	179.8°
O17	N02	C03	C04	55.1°	0.1°
O01	N02	C03	C08	56.0°	0.3°
O01	N02	C03	C04	125.1°	180.0°
O01	N02	O17	H14	0.0°	0.1°
C10	O09	C08	C03	89.0°	87.0°
C10	O09	C08	C07	92.5°	93.0°
O09	C10	C11	H4	160.9°	50.3°
O15	C10	O09	C08	23.8°	5.1°
O15	C10	C11	H4	20.9°	129.7°
O09	C08	C03	N02	0.8°	0.3°
O09	C08	C03	C07	178.5°	180.0°
O09	C08	C03	C04	178.1°	180.0°
O09	C08	C07	C06	179.3°	180.0°
O09	C08	C07	H3	0.8°	0.0°
N02	C03	C08	C04	178.9°	179.7°
N02	C03	C08	C07	179.2°	179.7°
N02	C03	C04	C05	179.7°	179.7°
N02	C03	C04	H1	0.3°	0.4°
C03	N02	O17	H14	179.8°	180.0°
C03	C08	C07	C06	0.8°	0.0°
C08	C03	C04	C05	0.8°	0.0°
C08	C03	C04	H1	179.2°	179.9°
C03	C08	C07	H3	179.2°	180.0°
C07	C08	C03	C04	0.4°	0.0°
C08	C07	C06	H3	180.0°	180.0°
C08	C07	C06	C05	1.5°	0.0°
C08	C07	C06	C16	179.5°	179.9°
C03	C04	C05	H1	180.0°	179.9°
C03	C04	C05	C06	0.1°	0.1°
C03	C04	C05	H2	179.9°	180.0°
C07	C06	C05	C04	1.1°	0.1°
C07	C06	C05	C16	178.9°	179.9°
C07	C06	C05	H2	178.9°	180.0°
C07	C06	C16	H11	89.5°	90.1°
C07	C06	C16	H12	150.5°	29.9°
C07	C06	C16	H13	30.5°	150.0°
C04	C05	C06	H2	180.0°	179.9°
C04	C05	C06	C16	180.0°	180.0°
C06	C05	C04	H1	179.9°	180.0°
C05	C06	C07	H3	178.5°	180.0°
C05	C06	C16	H11	89.4°	90.0°
C05	C06	C16	H12	30.6°	150.0°
C05	C06	C16	H13	150.6°	29.9°
C16	C06	C05	H2	0.0°	0.1°
C16	C06	C07	H3	0.4°	0.1°
C06	C16	H11	H12	120.0°	120.0°
C06	C16	H11	H13	120.0°	120.0°
C06	C16	H12	H13	120.0°	120.0°
H1	C04	C05	H2	0.1°	0.1°
H4	C11	C12	H5	121.2°	25.3°
H4	C11	C12	H6	6.0°	156.1°
H4	C11	C14	H9	6.0°	156.2°
H4	C11	C14	H10	121.2°	25.3°
H5	C12	C13	H7	121.4°	25.5°
H5	C12	C13	H8	5.4°	105.5°
H6	C12	C13	H7	5.8°	156.3°
H6	C12	C13	H8	132.5°	25.4°
H7	C13	C14	H9	5.8°	156.4°
H7	C13	C14	H10	121.4°	25.4°
H8	C13	C14	H9	132.5°	25.5°
H8	C13	C14	H10	5.3°	105.5°
H11	C16	H12	H13	120.0°	120.0°

Release date:	2021-06-09
Definition date:	2021-01-14
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7BJF