HZG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.55Å
O03	C02	doub	1.21Å	1.19Å
C22	C23	doub	1.39Å	1.39Å	Aromatic
C22	C21	sing	1.38Å	1.40Å	Aromatic
C23	C24	sing	1.36Å	1.38Å	Aromatic
C02	C04	sing	1.51Å	1.55Å
C21	C20	doub	1.39Å	1.39Å	Aromatic
C24	C25	doub	1.41Å	1.42Å	Aromatic
C20	C25	sing	1.40Å	1.37Å	Aromatic
C20	S19	sing	1.76Å	1.74Å	Aromatic
C25	N05	sing	1.35Å	1.36Å	Aromatic
C16	C17	doub	1.36Å	1.39Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
S19	C06	sing	1.71Å	1.74Å	Aromatic
N05	C04	sing	1.47Å	1.46Å
N05	C06	doub	1.28Å	1.33Å	Aromatic
C17	C18	sing	1.40Å	1.41Å	Aromatic
C15	C14	doub	1.36Å	1.38Å	Aromatic
C06	C07	sing	1.51Å	1.54Å
C18	C08	doub	1.41Å	1.41Å	Aromatic
C18	C13	sing	1.42Å	1.38Å	Aromatic
C07	C08	sing	1.51Å	1.34Å
C14	C13	sing	1.41Å	1.43Å	Aromatic
C08	C09	sing	1.37Å	1.38Å	Aromatic
C13	N11	doub	1.34Å	1.38Å	Aromatic
C09	C10	doub	1.39Å	1.40Å	Aromatic
N11	C10	sing	1.31Å	1.33Å	Aromatic
N11	C12	sing	1.47Å	1.45Å
C10	H1	sing	1.08Å	1.08Å
C12	H2	sing	1.09Å	1.10Å
C12	H3	sing	1.09Å	1.10Å
C12	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C15	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C21	H17	sing	1.08Å	1.08Å
C22	H18	sing	1.08Å	1.08Å
C23	H19	sing	1.08Å	1.08Å
C24	H20	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	O03	119.1°	120.0°
C01	C02	C04	119.3°	120.0°
C02	C01	H5	109.5°	109.5°
C02	C01	H6	109.5°	109.5°
C02	C01	H7	109.5°	109.5°
O03	C02	C04	121.5°	120.0°
C23	C22	C21	119.7°	120.1°
C22	C23	C24	120.0°	120.8°
C23	C22	H18	120.2°	120.0°
C22	C23	H19	120.0°	119.6°
C22	C21	C20	120.2°	120.0°
C22	C21	H17	119.9°	120.0°
C21	C22	H18	120.2°	120.0°
C23	C24	C25	120.2°	120.4°
C24	C23	H19	120.0°	119.6°
C23	C24	H20	119.9°	119.8°
C02	C04	N05	105.8°	109.5°
C02	C04	H8	110.4°	109.5°
C02	C04	H9	110.4°	109.5°
C21	C20	C25	120.2°	120.3°
C21	C20	S19	135.5°	131.7°
C20	C21	H17	119.9°	120.1°
C24	C25	C20	119.7°	118.5°
C24	C25	N05	123.5°	129.7°
C25	C24	H20	119.9°	119.8°
C25	C20	S19	104.2°	108.0°
C20	C25	N05	116.8°	111.8°
C20	S19	C06	96.1°	90.8°
C25	N05	C04	120.2°	121.1°
C25	N05	C06	117.4°	117.8°
C17	C16	C15	122.3°	120.9°
C16	C17	C18	118.8°	119.6°
C17	C16	H15	118.9°	119.6°
C16	C17	H16	120.6°	120.1°
C16	C15	C14	119.4°	121.0°
C16	C15	H14	120.3°	119.5°
C15	C16	H15	118.9°	119.6°
S19	C06	N05	105.4°	111.6°
S19	C06	C07	132.9°	124.2°
C04	N05	C06	122.3°	121.1°
N05	C04	H8	110.4°	109.5°
N05	C04	H9	110.4°	109.4°
N05	C06	C07	121.7°	124.2°
C17	C18	C08	121.5°	121.3°
C17	C18	C13	119.3°	119.7°
C18	C17	H16	120.6°	120.3°
C15	C14	C13	118.7°	119.8°
C15	C14	H13	120.7°	120.1°
C14	C15	H14	120.3°	119.5°
C06	C07	C08	140.6°	109.5°
C06	C07	H10	101.2°	109.5°
C06	C07	H11	101.2°	109.5°
C08	C18	C13	119.2°	119.0°
C18	C08	C07	130.2°	121.0°
C18	C08	C09	116.7°	118.1°
C18	C13	C14	121.6°	119.1°
C18	C13	N11	121.4°	119.9°
C07	C08	C09	113.1°	120.9°
C08	C07	H10	101.2°	109.4°
C08	C07	H11	101.2°	109.5°
C14	C13	N11	117.1°	121.0°
C13	C14	H13	120.6°	120.1°
C08	C09	C10	123.4°	119.9°
C08	C09	H12	118.3°	120.0°
C13	N11	C10	120.9°	121.3°
C13	N11	C12	120.5°	119.4°
C09	C10	N11	118.4°	121.7°
C09	C10	H1	120.8°	119.1°
C10	C09	H12	118.3°	120.0°
C10	N11	C12	118.7°	119.3°
N11	C10	H1	120.8°	119.2°
N11	C12	H2	109.5°	109.4°
N11	C12	H3	109.5°	109.4°
N11	C12	H4	109.5°	109.5°
H2	C12	H3	109.5°	109.5°
H2	C12	H4	109.4°	109.5°
H3	C12	H4	109.5°	109.5°
H5	C01	H6	109.5°	109.4°
H5	C01	H7	109.5°	109.4°
H6	C01	H7	109.5°	109.5°
H8	C04	H9	109.5°	109.5°
H10	C07	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	O03	C04	178.1°	180.0°
C01	C02	C04	N05	44.6°	180.0°
C02	C01	H5	H6	120.0°	120.0°
C02	C01	H5	H7	120.0°	120.0°
C02	C01	H6	H7	120.0°	120.0°
C01	C02	C04	H8	164.0°	60.0°
C01	C02	C04	H9	74.8°	60.0°
O03	C02	C04	N05	133.5°	0.0°
O03	C02	C01	H5	0.0°	180.0°
O03	C02	C01	H6	120.0°	60.0°
O03	C02	C01	H7	120.0°	60.0°
O03	C02	C04	H8	14.0°	120.0°
O03	C02	C04	H9	107.1°	120.0°
C23	C22	C21	H18	180.0°	180.0°
C22	C23	C24	H19	180.0°	180.0°
C23	C22	C21	C20	0.4°	0.0°
C22	C23	C24	C25	0.3°	0.0°
C23	C22	C21	H17	179.6°	179.9°
C22	C23	C24	H20	179.7°	180.0°
C21	C22	C23	C24	0.0°	0.0°
C22	C21	C20	H17	180.0°	179.9°
C22	C21	C20	C25	0.5°	0.0°
C22	C21	C20	S19	179.3°	179.9°
C21	C22	C23	H19	180.0°	180.0°
C23	C24	C25	H20	180.0°	180.0°
C23	C24	C25	C20	0.2°	0.0°
C23	C24	C25	N05	179.6°	179.9°
C24	C23	C22	H18	180.0°	180.0°
C02	C04	N05	C25	77.6°	90.0°
C02	C04	N05	H8	119.4°	120.0°
C02	C04	N05	H9	119.4°	120.0°
C02	C04	N05	C06	99.3°	90.0°
C04	C02	C01	H5	178.1°	0.0°
C04	C02	C01	H6	58.1°	120.0°
C04	C02	C01	H7	61.9°	120.0°
C02	C04	H8	H9	121.7°	120.0°
C21	C20	C25	C24	0.2°	0.0°
C21	C20	C25	S19	179.1°	179.9°
C21	C20	C25	N05	180.0°	179.9°
C21	C20	S19	C06	179.4°	179.9°
C20	C21	C22	H18	179.6°	180.0°
C24	C25	C20	N05	179.8°	180.0°
C24	C25	C20	S19	179.3°	179.9°
C24	C25	N05	C04	2.2°	0.1°
C24	C25	N05	C06	179.3°	179.9°
C25	C24	C23	H19	179.7°	180.0°
C25	C20	S19	C06	0.5°	0.2°
C20	C25	N05	C04	178.0°	179.9°
C20	C25	N05	C06	1.0°	0.1°
C25	C20	C21	H17	179.5°	179.9°
C20	C25	C24	H20	179.8°	180.0°
S19	C20	C25	N05	0.9°	0.1°
C20	S19	C06	N05	0.1°	0.3°
C20	S19	C06	C07	179.8°	180.0°
S19	C20	C21	H17	0.7°	0.0°
C25	N05	C06	S19	0.5°	0.2°
C25	N05	C04	C06	176.9°	180.0°
C25	N05	C06	C07	179.7°	180.0°
C25	N05	C04	H8	41.8°	30.0°
C25	N05	C04	H9	163.0°	150.0°
N05	C25	C24	H20	0.4°	0.1°
C17	C16	C15	H15	180.0°	179.9°
C16	C17	C18	H16	180.0°	179.9°
C17	C16	C15	C14	0.2°	0.1°
C16	C17	C18	C08	179.7°	179.7°
C16	C17	C18	C13	0.0°	0.1°
C17	C16	C15	H14	179.8°	180.0°
C15	C16	C17	C18	0.1°	0.1°
C16	C15	C14	H14	180.0°	179.9°
C16	C15	C14	C13	0.2°	0.0°
C16	C15	C14	H13	179.8°	179.9°
C15	C16	C17	H16	179.9°	180.0°
S19	C06	N05	C04	177.4°	179.8°
S19	C06	N05	C07	179.9°	179.7°
S19	C06	C07	C08	8.4°	90.3°
S19	C06	C07	H10	115.3°	29.7°
S19	C06	C07	H11	132.0°	149.7°
C04	N05	C06	C07	2.7°	0.0°
N05	C04	H8	H9	121.7°	120.0°
N05	C06	C07	C08	171.8°	90.0°
C06	N05	C04	H8	141.3°	150.0°
C06	N05	C04	H9	20.1°	30.0°
N05	C06	C07	H10	64.5°	150.0°
N05	C06	C07	H11	48.2°	30.0°
C17	C18	C08	C13	179.7°	179.8°
C17	C18	C08	C07	1.3°	0.0°
C17	C18	C13	C14	0.0°	0.1°
C17	C18	C08	C09	179.7°	180.0°
C17	C18	C13	N11	179.6°	180.0°
C18	C17	C16	H15	180.0°	180.0°
C15	C14	C13	C18	0.1°	0.0°
C15	C14	C13	H13	180.0°	180.0°
C15	C14	C13	N11	179.7°	180.0°
C14	C15	C16	H15	179.9°	180.0°
C06	C07	C08	C18	12.5°	85.0°
C06	C07	C08	H10	123.6°	120.0°
C06	C07	C08	H11	123.7°	120.1°
C06	C07	C08	C09	169.1°	95.0°
C06	C07	H10	H11	106.3°	120.0°
C18	C08	C07	C09	178.4°	180.0°
C08	C18	C13	C14	179.7°	179.7°
C08	C18	C13	N11	0.0°	0.2°
C18	C08	C09	C10	1.0°	0.1°
C18	C08	C07	H10	136.1°	35.0°
C18	C08	C07	H11	111.2°	154.9°
C18	C08	C09	H12	179.0°	179.9°
C08	C18	C17	H16	0.3°	0.2°
C13	C18	C08	C07	179.0°	179.8°
C18	C13	C14	N11	179.6°	180.0°
C13	C18	C08	C09	0.6°	0.2°
C18	C13	N11	C10	0.4°	0.1°
C18	C13	N11	C12	179.9°	180.0°
C18	C13	C14	H13	179.9°	180.0°
C13	C18	C17	H16	180.0°	180.0°
C07	C08	C09	C10	179.6°	179.9°
C08	C07	H10	H11	106.3°	120.0°
C07	C08	C09	H12	0.4°	0.0°
C14	C13	N11	C10	179.9°	180.0°
C14	C13	N11	C12	0.2°	0.0°
C13	C14	C15	H14	179.8°	180.0°
C08	C09	C10	H12	180.0°	179.9°
C08	C09	C10	N11	0.6°	0.4°
C08	C09	C10	H1	179.4°	180.0°
C09	C08	C07	H10	45.4°	145.0°
C09	C08	C07	H11	67.3°	25.1°
C13	N11	C10	C09	0.1°	0.4°
C13	N11	C10	C12	179.7°	179.9°
C13	N11	C10	H1	179.9°	180.0°
C13	N11	C12	H2	180.0°	90.0°
C13	N11	C12	H3	60.0°	150.0°
C13	N11	C12	H4	60.0°	30.0°
N11	C13	C14	H13	0.3°	0.0°
C09	C10	N11	H1	180.0°	179.7°
C09	C10	N11	C12	179.8°	179.7°
C10	N11	C12	H2	0.3°	90.1°
C10	N11	C12	H3	119.7°	29.9°
C10	N11	C12	H4	120.3°	149.9°
N11	C10	C09	H12	179.4°	179.8°
C12	N11	C10	H1	0.2°	0.0°
N11	C12	H2	H3	120.0°	120.0°
N11	C12	H2	H4	120.0°	120.0°
N11	C12	H3	H4	120.0°	120.0°
H1	C10	C09	H12	0.6°	0.1°
H2	C12	H3	H4	120.0°	120.0°
H5	C01	H6	H7	120.0°	120.0°
H13	C14	C15	H14	0.2°	0.0°
H14	C15	C16	H15	0.1°	0.1°
H15	C16	C17	H16	0.1°	0.1°
H17	C21	C22	H18	0.4°	0.0°
H18	C22	C23	H19	0.0°	0.0°
H19	C23	C24	H20	0.2°	0.0°

Release date:	2019-04-17
Definition date:	2018-07-31
Last modified:	2019-04-12
Release status:	REL
Processing site:	RCSB
Derived from:	6E8T