HYT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C27	C29	doub	1.38Å	1.38Å	Aromatic
C27	C25	sing	1.38Å	1.37Å	Aromatic
F17	C16	sing	1.35Å	1.35Å
C29	C31	sing	1.39Å	1.40Å	Aromatic
C25	C34	doub	1.38Å	1.37Å	Aromatic
F19	C18	sing	1.35Å	1.33Å
C16	C18	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.40Å	1.39Å	Aromatic
O05	C02	doub	1.22Å	1.22Å
C31	C15	sing	1.48Å	1.52Å
C31	C32	doub	1.39Å	1.39Å	Aromatic
C18	C20	sing	1.39Å	1.39Å	Aromatic
C34	C32	sing	1.38Å	1.37Å	Aromatic
C15	C23	doub	1.40Å	1.40Å	Aromatic
C02	C01	sing	1.48Å	1.52Å
C02	N03	sing	1.35Å	1.42Å
N14	C01	doub	1.32Å	1.33Å	Aromatic
N14	N09	sing	1.29Å	1.31Å	Aromatic
C20	N03	sing	1.40Å	1.43Å
C20	C21	doub	1.39Å	1.36Å	Aromatic
C23	C21	sing	1.38Å	1.36Å	Aromatic
C23	F24	sing	1.35Å	1.35Å
C01	C06	sing	1.41Å	1.44Å	Aromatic
C10	N09	sing	1.47Å	1.45Å
C21	F22	sing	1.35Å	1.32Å
N09	N08	sing	1.40Å	1.34Å	Aromatic
C06	N08	doub	1.32Å	1.31Å	Aromatic
C06	O07	sing	1.36Å	1.38Å
N03	H1	sing	0.97Å	1.00Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C25	H6	sing	1.08Å	1.08Å
C27	H7	sing	1.08Å	1.08Å
C29	H8	sing	1.08Å	1.08Å
C32	H9	sing	1.08Å	1.08Å
C34	H10	sing	1.08Å	1.08Å
O07	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C29	C27	C25	120.3°	120.1°
C27	C29	C31	119.2°	119.8°
C29	C27	H7	119.9°	119.9°
C27	C29	H8	120.4°	120.1°
C27	C25	C34	119.4°	120.3°
C27	C25	H6	120.3°	119.9°
C25	C27	H7	119.8°	120.0°
F17	C16	C18	120.0°	120.0°
F17	C16	C15	121.5°	120.0°
C29	C31	C15	118.0°	120.1°
C29	C31	C32	120.8°	119.8°
C31	C29	H8	120.4°	120.1°
C25	C34	C32	122.3°	120.1°
C34	C25	H6	120.3°	119.9°
C25	C34	H10	118.8°	119.9°
F19	C18	C16	118.7°	119.9°
F19	C18	C20	120.3°	120.0°
C18	C16	C15	118.5°	120.0°
C16	C18	C20	120.9°	120.1°
C16	C15	C31	121.5°	120.1°
C16	C15	C23	119.5°	119.8°
O05	C02	C01	124.0°	120.0°
O05	C02	N03	123.4°	120.0°
C15	C31	C32	121.2°	120.1°
C31	C15	C23	118.9°	120.0°
C31	C32	C34	117.9°	119.9°
C31	C32	H9	121.0°	120.1°
C18	C20	N03	121.9°	119.9°
C18	C20	C21	119.5°	120.1°
C34	C32	H9	121.0°	120.1°
C32	C34	H10	118.8°	119.9°
C15	C23	C21	120.8°	119.9°
C15	C23	F24	124.0°	120.0°
C01	C02	N03	112.2°	120.0°
C02	C01	N14	127.8°	126.0°
C02	C01	C06	126.6°	126.1°
C02	N03	C20	122.2°	120.0°
C02	N03	H1	118.9°	120.0°
C01	N14	N09	108.3°	109.5°
N14	C01	C06	105.5°	107.9°
N14	N09	C10	124.9°	125.5°
N14	N09	N08	111.3°	109.0°
N03	C20	C21	118.4°	119.9°
C20	N03	H1	118.9°	120.0°
C20	C21	C23	120.6°	120.0°
C20	C21	F22	119.2°	120.0°
C21	C23	F24	115.2°	120.1°
C23	C21	F22	120.1°	120.0°
C01	C06	N08	107.3°	106.5°
C01	C06	O07	127.2°	126.8°
C10	N09	N08	123.7°	125.5°
N09	C10	H3	109.5°	109.5°
N09	C10	H4	109.5°	109.5°
N09	C10	H5	109.4°	109.4°
N09	N08	C06	107.5°	107.2°
N08	C06	O07	125.5°	126.7°
C06	O07	H11	109.5°	114.0°
H3	C10	H4	109.5°	109.5°
H3	C10	H5	109.4°	109.5°
H4	C10	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C29	C27	C25	H7	180.0°	179.9°
C27	C29	C31	H8	180.0°	179.9°
C29	C27	C25	C34	1.1°	0.0°
C27	C29	C31	C15	177.4°	179.9°
C27	C29	C31	C32	0.2°	0.0°
C29	C27	C25	H6	178.9°	179.6°
C25	C27	C29	C31	0.5°	0.0°
C27	C25	C34	H6	180.0°	179.7°
C27	C25	C34	C32	0.9°	0.1°
C25	C27	C29	H8	179.5°	180.0°
C27	C25	C34	H10	179.1°	179.8°
F17	C16	C18	F19	1.2°	0.0°
F17	C16	C18	C15	178.4°	180.0°
F17	C16	C15	C31	3.7°	0.3°
F17	C16	C18	C20	178.1°	180.0°
F17	C16	C15	C23	179.3°	180.0°
C29	C31	C15	C16	53.9°	64.7°
C29	C31	C15	C32	177.6°	179.9°
C29	C31	C32	C34	0.4°	0.1°
C29	C31	C15	C23	121.7°	115.0°
C31	C29	C27	H7	179.5°	179.9°
C29	C31	C32	H9	179.6°	179.9°
C25	C34	C32	C31	0.2°	0.1°
C25	C34	C32	H10	180.0°	179.8°
C34	C25	C27	H7	179.0°	179.9°
C25	C34	C32	H9	179.8°	179.9°
F19	C18	C16	C20	176.9°	180.0°
F19	C18	C16	C15	179.6°	180.0°
F19	C18	C20	N03	2.6°	0.0°
F19	C18	C20	C21	179.2°	180.0°
C18	C16	C15	C31	178.0°	179.7°
C18	C16	C15	C23	2.4°	0.0°
C16	C18	C20	N03	179.5°	180.0°
C16	C18	C20	C21	4.0°	0.0°
C16	C15	C31	C23	175.7°	179.7°
C16	C15	C31	C32	128.4°	115.2°
C15	C16	C18	C20	3.5°	0.0°
C16	C15	C23	C21	1.7°	0.0°
C16	C15	C23	F24	178.7°	180.0°
O05	C02	C01	N03	173.0°	179.9°
O05	C02	C01	N14	8.7°	179.7°
O05	C02	N03	C20	1.2°	5.1°
O05	C02	C01	C06	175.9°	0.0°
O05	C02	N03	H1	178.7°	175.0°
C15	C31	C32	C34	177.2°	180.0°
C31	C15	C23	C21	177.5°	179.7°
C31	C15	C23	F24	2.9°	0.2°
C15	C31	C29	H8	2.6°	0.0°
C15	C31	C32	H9	2.8°	0.2°
C31	C32	C34	H9	180.0°	179.8°
C32	C31	C15	C23	55.9°	65.1°
C32	C31	C29	H8	179.7°	179.9°
C31	C32	C34	H10	179.8°	179.7°
C18	C20	N03	C02	54.6°	91.3°
C18	C20	N03	C21	176.6°	180.0°
C18	C20	C21	C23	3.2°	0.0°
C18	C20	C21	F22	179.4°	180.0°
C18	C20	N03	H1	125.4°	88.7°
C32	C34	C25	H6	179.1°	179.7°
C15	C23	C21	C20	2.1°	0.0°
C15	C23	C21	F24	179.6°	179.9°
C15	C23	C21	F22	179.5°	180.0°
C02	C01	N14	C06	176.2°	179.8°
C02	C01	N14	N09	175.6°	179.9°
C01	C02	N03	C20	174.3°	175.0°
C02	C01	C06	N08	176.9°	180.0°
C02	C01	C06	O07	3.4°	0.1°
C01	C02	N03	H1	5.7°	4.9°
N03	C02	C01	N14	164.3°	0.4°
C02	N03	C20	H1	180.0°	179.9°
C02	N03	C20	C21	128.8°	88.6°
N03	C02	C01	C06	11.1°	179.9°
C01	N14	N09	C10	179.9°	179.9°
C01	N14	N09	N08	1.6°	0.4°
N14	C01	C06	N08	0.6°	0.2°
N14	C01	C06	O07	179.6°	179.7°
N09	N14	C01	C06	0.5°	0.4°
N14	N09	C10	N08	178.3°	179.7°
N14	N09	N08	C06	2.0°	0.3°
N14	N09	C10	H3	0.0°	89.7°
N14	N09	C10	H4	120.0°	30.3°
N14	N09	C10	H5	120.0°	150.3°
N03	C20	C21	C23	179.9°	180.0°
N03	C20	C21	F22	2.7°	0.0°
C20	C21	C23	F22	177.3°	180.0°
C20	C21	C23	F24	178.2°	180.0°
C21	C20	N03	H1	51.3°	91.3°
F24	C23	C21	F22	0.9°	0.0°
C01	C06	N08	N09	1.5°	0.0°
C01	C06	N08	O07	179.7°	179.9°
C01	C06	O07	H11	179.7°	90.0°
C10	N09	N08	C06	179.5°	180.0°
N09	C10	H3	H4	120.0°	120.0°
N09	C10	H3	H5	120.0°	119.9°
N09	C10	H4	H5	120.0°	120.0°
N09	N08	C06	O07	178.7°	179.9°
N08	N09	C10	H3	178.3°	89.9°
N08	N09	C10	H4	61.7°	150.0°
N08	N09	C10	H5	58.4°	30.0°
N08	C06	O07	H11	0.0°	89.9°
H3	C10	H4	H5	120.0°	120.0°
H6	C25	C27	H7	1.1°	0.3°
H6	C25	C34	H10	0.9°	0.1°
H7	C27	C29	H8	0.4°	0.1°
H9	C32	C34	H10	0.2°	0.1°

Release date:	2017-03-08
Definition date:	2017-01-16
Last modified:	2017-03-03
Release status:	REL
Processing site:	EBI
Derived from:	5MUT