TZW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	sing	1.47Å	1.51Å
C13	C12	doub	1.40Å	1.40Å	Aromatic
C13	C15	sing	1.40Å	1.40Å	Aromatic
C12	C11	sing	1.38Å	1.42Å	Aromatic
C15	C06	doub	1.39Å	1.37Å	Aromatic
C11	C07	doub	1.38Å	1.38Å	Aromatic
C06	C07	sing	1.39Å	1.43Å	Aromatic
C06	N05	sing	1.40Å	1.47Å
C07	N08	sing	1.48Å	1.51Å
C04	N05	sing	1.47Å	1.55Å
C04	C03	sing	1.53Å	1.54Å
N05	C16	sing	1.47Å	1.54Å
O09	N08	doub	1.22Å	1.38Å
N08	O10	doub	1.22Å	1.17Å
C16	C17	sing	1.53Å	1.54Å
O01	C02	sing	1.43Å	1.47Å
C03	C02	sing	1.53Å	1.47Å
C17	C02	sing	1.53Å	1.47Å
C02	H1	sing	1.09Å	1.10Å
C03	H2	sing	1.09Å	1.10Å
C03	H3	sing	1.09Å	1.10Å
C04	H4	sing	1.09Å	1.10Å
C04	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C17	H14	sing	1.09Å	1.10Å
C17	H15	sing	1.09Å	1.10Å
O01	H16	sing	0.97Å	0.95Å
C14	O1	doub	1.21Å	1.43Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C13	C12	123.5°	120.1°
C14	C13	C15	114.4°	120.2°
C13	C14	H8	122.8°	120.0°
C13	C14	O1	114.5°	120.0°
C12	C13	C15	122.1°	119.7°
C13	C12	C11	118.7°	120.0°
C13	C12	H7	120.6°	120.0°
C13	C15	C06	119.1°	119.8°
C13	C15	H11	120.5°	120.1°
C12	C11	C07	119.2°	120.2°
C12	C11	H6	120.4°	119.9°
C11	C12	H7	120.7°	120.0°
C15	C06	C07	119.9°	120.0°
C15	C06	N05	116.3°	120.0°
C06	C15	H11	120.5°	120.1°
C11	C07	C06	121.1°	120.3°
C11	C07	N08	118.3°	119.8°
C07	C11	H6	120.4°	119.9°
C07	C06	N05	123.8°	120.0°
C06	C07	N08	120.5°	119.9°
C06	N05	C04	116.9°	111.0°
C06	N05	C16	116.7°	111.0°
C07	N08	O09	118.9°	120.0°
C07	N08	O10	119.7°	120.0°
N05	C04	C03	112.8°	109.5°
C04	N05	C16	104.2°	111.2°
N05	C04	H4	108.6°	109.5°
N05	C04	H5	108.7°	109.5°
C04	C03	C02	113.1°	109.3°
C04	C03	H2	108.6°	109.5°
C04	C03	H3	108.5°	109.5°
C03	C04	H4	108.7°	109.4°
C03	C04	H5	108.6°	109.5°
N05	C16	C17	109.0°	109.5°
N05	C16	H12	109.5°	109.5°
N05	C16	H13	109.6°	109.4°
O09	N08	O10	121.3°	120.0°
C16	C17	C02	109.9°	109.3°
C17	C16	H12	109.6°	109.5°
C17	C16	H13	109.6°	109.5°
C16	C17	H14	109.3°	109.5°
C16	C17	H15	109.4°	109.5°
O01	C02	C03	107.7°	109.5°
O01	C02	C17	106.4°	109.6°
O01	C02	H1	108.9°	109.5°
C02	O01	H16	109.5°	114.0°
C03	C02	C17	115.7°	109.2°
C03	C02	H1	108.9°	109.5°
C02	C03	H2	108.5°	109.5°
C02	C03	H3	108.5°	109.5°
C17	C02	H1	109.0°	109.5°
C02	C17	H14	109.3°	109.5°
C02	C17	H15	109.3°	109.5°
H2	C03	H3	109.5°	109.5°
H4	C04	H5	109.5°	109.4°
H8	C14	O1	122.7°	120.0°
H12	C16	H13	109.5°	109.5°
H14	C17	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C13	C12	C15	178.6°	179.8°
C14	C13	C12	C11	179.9°	180.0°
C14	C13	C15	C06	179.8°	179.7°
C14	C13	C12	H7	0.0°	0.0°
C13	C14	H8	O1	180.0°	180.0°
C14	C13	C15	H11	0.2°	0.2°
C13	C12	C11	H7	180.0°	180.0°
C12	C13	C15	C06	1.1°	0.5°
C13	C12	C11	C07	0.9°	0.0°
C13	C12	C11	H6	179.1°	180.0°
C12	C13	C14	H8	177.8°	0.0°
C12	C13	C15	H11	178.9°	180.0°
C12	C13	C14	O1	2.2°	180.0°
C15	C13	C12	C11	1.4°	0.2°
C13	C15	C06	H11	180.0°	179.5°
C13	C15	C06	C07	0.2°	0.6°
C13	C15	C06	N05	179.2°	179.7°
C15	C13	C12	H7	178.6°	179.8°
C15	C13	C14	H8	3.5°	179.8°
C15	C13	C14	O1	176.5°	0.3°
C12	C11	C07	H6	180.0°	180.0°
C12	C11	C07	C06	0.1°	0.0°
C12	C11	C07	N08	178.9°	180.0°
C15	C06	C07	C11	0.3°	0.3°
C15	C06	C07	N05	179.3°	179.7°
C15	C06	C07	N08	179.3°	179.8°
C15	C06	N05	C04	17.1°	60.3°
C15	C06	N05	C16	107.2°	63.9°
C11	C07	C06	N08	179.0°	179.9°
C11	C07	C06	N05	179.6°	180.0°
C11	C07	N08	O09	17.6°	180.0°
C11	C07	N08	O10	160.4°	0.1°
C07	C11	C12	H7	179.1°	180.0°
C07	C06	N05	C04	163.5°	120.0°
C07	C06	N05	C16	72.1°	115.8°
C06	C07	N08	O09	163.4°	0.1°
C06	C07	N08	O10	18.6°	180.0°
C06	C07	C11	H6	179.9°	180.0°
C07	C06	C15	H11	179.8°	179.9°
N05	C06	C07	N08	1.4°	0.0°
C06	N05	C04	C16	130.4°	124.1°
C06	N05	C04	C03	170.9°	174.2°
C06	N05	C16	C17	163.7°	174.2°
C06	N05	C04	H4	50.4°	65.8°
C06	N05	C04	H5	68.6°	54.1°
N05	C06	C15	H11	0.8°	0.2°
C06	N05	C16	H12	76.4°	54.2°
C06	N05	C16	H13	43.7°	65.8°
C07	N08	O09	O10	178.0°	179.9°
N08	C07	C11	H6	1.1°	0.1°
N05	C04	C03	H4	120.5°	120.0°
N05	C04	C03	H5	120.5°	120.1°
C04	N05	C16	C17	65.8°	61.8°
N05	C04	C03	C02	48.5°	59.2°
N05	C04	C03	H2	72.1°	179.1°
N05	C04	C03	H3	169.0°	60.8°
N05	C04	H4	H5	118.5°	120.0°
C04	N05	C16	H12	54.2°	178.2°
C04	N05	C16	H13	174.3°	58.3°
C03	C04	N05	C16	58.6°	61.7°
C04	C03	C02	O01	74.7°	62.3°
C04	C03	C02	H2	120.5°	119.9°
C04	C03	C02	H3	120.5°	120.0°
C04	C03	C02	C17	44.1°	57.7°
C04	C03	C02	H1	167.3°	177.6°
C04	C03	H2	H3	118.3°	120.1°
C03	C04	H4	H5	118.5°	120.0°
N05	C16	C17	H12	119.9°	120.0°
N05	C16	C17	H13	120.0°	120.0°
N05	C16	C17	C02	63.6°	59.2°
C16	N05	C04	H4	179.2°	58.3°
C16	N05	C04	H5	61.8°	178.2°
N05	C16	H12	H13	120.2°	120.0°
N05	C16	C17	H14	176.4°	60.7°
N05	C16	C17	H15	56.5°	179.1°
C16	C17	C02	O01	68.2°	62.3°
C16	C17	C02	C03	51.4°	57.7°
C16	C17	C02	H14	120.1°	120.0°
C16	C17	C02	H15	120.1°	119.9°
C16	C17	C02	H1	174.5°	177.6°
C17	C16	H12	H13	120.2°	120.0°
C16	C17	H14	H15	119.8°	120.1°
O01	C02	C03	C17	118.9°	120.0°
O01	C02	C03	H1	118.0°	120.1°
O01	C02	C17	H1	117.3°	120.1°
O01	C02	C03	H2	164.7°	57.6°
O01	C02	C03	H3	45.8°	177.7°
O01	C02	C17	H14	51.9°	177.8°
O01	C02	C17	H15	171.7°	57.7°
C03	C02	C17	H1	123.1°	119.9°
C02	C03	H2	H3	118.3°	120.1°
C02	C03	C04	H4	169.0°	60.8°
C02	C03	C04	H5	72.0°	179.2°
C03	C02	C17	H14	171.5°	62.3°
C03	C02	C17	H15	68.7°	177.6°
C03	C02	O01	H16	180.0°	179.9°
C17	C02	C03	H2	76.4°	177.6°
C17	C02	C03	H3	164.7°	62.3°
C02	C17	C16	H12	56.3°	179.2°
C02	C17	C16	H13	176.5°	60.8°
C02	C17	H14	H15	119.8°	120.1°
C17	C02	O01	H16	55.3°	60.2°
H1	C02	C03	H2	46.7°	62.5°
H1	C02	C03	H3	72.2°	57.6°
H1	C02	C17	H14	65.4°	57.7°
H1	C02	C17	H15	54.4°	62.4°
H1	C02	O01	H16	62.1°	59.9°
H2	C03	C04	H4	48.4°	59.1°
H2	C03	C04	H5	167.4°	60.8°
H3	C03	C04	H4	70.5°	179.2°
H3	C03	C04	H5	48.5°	59.3°
H6	C11	C12	H7	0.9°	0.0°
H12	C16	C17	H14	63.7°	59.3°
H12	C16	C17	H15	176.4°	60.9°
H13	C16	C17	H14	56.4°	179.3°
H13	C16	C17	H15	63.5°	59.1°

Release date:	2021-06-09
Definition date:	2021-01-15
Last modified:	2021-06-04
Release status:	REL
Processing site:	PDBE
Derived from:	7BJW