CVN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F25	C22	sing	1.40Å	1.37Å
F23	C22	sing	1.40Å	1.36Å
O09	N08	sing	1.41Å	1.32Å
O09	C02	sing	1.35Å	1.36Å
C22	F24	sing	1.40Å	1.36Å
C22	C15	sing	1.51Å	1.52Å
C04	C02	doub	1.39Å	1.41Å	Aromatic
C04	C06	sing	1.38Å	1.39Å	Aromatic
N08	C07	sing	1.35Å	1.33Å
C02	C01	sing	1.40Å	1.39Å	Aromatic
C06	C05	doub	1.38Å	1.41Å	Aromatic
C07	C01	sing	1.47Å	1.45Å
C07	O17	doub	1.22Å	1.20Å
C01	C03	doub	1.40Å	1.41Å	Aromatic
C13	C15	doub	1.38Å	1.38Å	Aromatic
C13	C11	sing	1.39Å	1.39Å	Aromatic
C05	C03	sing	1.39Å	1.40Å	Aromatic
C03	N10	sing	1.39Å	1.45Å
C15	C16	sing	1.38Å	1.39Å	Aromatic
N10	C11	sing	1.40Å	1.45Å
C11	C12	doub	1.39Å	1.39Å	Aromatic
C16	C14	doub	1.38Å	1.39Å	Aromatic
C12	C14	sing	1.38Å	1.39Å	Aromatic
C14	C18	sing	1.51Å	1.53Å
C18	F19	sing	1.40Å	1.36Å
C18	F21	sing	1.40Å	1.37Å
C18	F20	sing	1.40Å	1.36Å
C04	H1	sing	1.08Å	1.08Å
C05	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
N08	H7	sing	0.97Å	1.00Å
N10	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F25	C22	F23	109.8°	109.5°
F25	C22	F24	109.3°	109.5°
F25	C22	C15	109.5°	109.5°
F23	C22	F24	109.9°	109.5°
F23	C22	C15	109.8°	109.5°
N08	O09	C02	111.2°	109.8°
O09	N08	C07	109.9°	108.8°
O09	N08	H7	125.1°	125.7°
O09	C02	C04	133.3°	132.6°
O09	C02	C01	106.7°	108.0°
F24	C22	C15	108.5°	109.5°
C22	C15	C13	119.7°	119.9°
C22	C15	C16	120.1°	120.0°
C02	C04	C06	120.0°	120.2°
C04	C02	C01	119.9°	119.4°
C02	C04	H1	120.0°	119.9°
C04	C06	C05	120.0°	120.7°
C06	C04	H1	120.0°	119.9°
C04	C06	H3	120.0°	119.6°
N08	C07	C01	107.1°	106.6°
N08	C07	O17	126.2°	126.7°
C07	N08	H7	125.0°	125.5°
C02	C01	C07	105.1°	106.7°
C02	C01	C03	120.3°	119.9°
C06	C05	C03	120.2°	120.2°
C06	C05	H2	119.9°	119.9°
C05	C06	H3	120.0°	119.6°
C01	C07	O17	126.7°	126.6°
C07	C01	C03	134.6°	133.4°
C01	C03	C05	119.7°	119.5°
C01	C03	N10	118.9°	120.2°
C15	C13	C11	119.9°	119.9°
C13	C15	C16	120.1°	120.1°
C15	C13	H5	120.0°	120.1°
C13	C11	N10	119.9°	120.1°
C13	C11	C12	120.1°	119.8°
C11	C13	H5	120.1°	120.0°
C05	C03	N10	121.4°	120.2°
C03	C05	H2	119.9°	119.9°
C03	N10	C11	121.0°	120.0°
C03	N10	H8	119.5°	120.0°
C15	C16	C14	120.1°	120.2°
C15	C16	H6	120.0°	119.9°
N10	C11	C12	120.1°	120.1°
C11	N10	H8	119.5°	120.0°
C11	C12	C14	120.1°	120.0°
C11	C12	H4	120.0°	120.0°
C16	C14	C12	119.7°	120.0°
C16	C14	C18	119.9°	120.0°
C14	C16	H6	119.9°	119.9°
C12	C14	C18	120.3°	120.0°
C14	C12	H4	119.9°	120.0°
C14	C18	F19	109.1°	109.5°
C14	C18	F21	109.6°	109.4°
C14	C18	F20	110.4°	109.5°
F19	C18	F21	109.5°	109.5°
F19	C18	F20	109.2°	109.5°
F21	C18	F20	109.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F25	C22	F23	F24	120.3°	120.0°
F25	C22	F23	C15	120.5°	120.0°
F25	C22	F24	C15	119.3°	120.0°
F25	C22	C15	C13	19.6°	150.0°
F25	C22	C15	C16	160.4°	30.0°
F23	C22	F24	C15	120.1°	120.0°
F23	C22	C15	C13	101.1°	30.0°
F23	C22	C15	C16	78.9°	150.0°
N08	O09	C02	C04	179.3°	179.9°
O09	N08	C07	H7	180.0°	179.9°
N08	O09	C02	C01	1.1°	0.1°
O09	N08	C07	C01	1.3°	0.1°
O09	N08	C07	O17	179.9°	179.8°
O09	C02	C04	C01	179.6°	179.9°
O09	C02	C04	C06	179.7°	180.0°
C02	O09	N08	C07	1.5°	0.0°
O09	C02	C01	C07	0.3°	0.2°
O09	C02	C01	C03	179.2°	180.0°
O09	C02	C04	H1	0.3°	0.1°
C02	O09	N08	H7	178.5°	179.9°
F24	C22	C15	C13	138.9°	90.0°
F24	C22	C15	C16	41.1°	90.0°
C22	C15	C13	C16	180.0°	180.0°
C22	C15	C13	C11	179.7°	180.0°
C22	C15	C16	C14	179.9°	180.0°
C22	C15	C13	H5	0.3°	0.0°
C22	C15	C16	H6	0.1°	0.1°
C02	C04	C06	H1	180.0°	180.0°
C02	C04	C06	C05	0.0°	0.0°
C04	C02	C01	C07	179.9°	179.8°
C04	C02	C01	C03	1.2°	0.1°
C02	C04	C06	H3	180.0°	180.0°
C06	C04	C02	C01	0.7°	0.0°
C04	C06	C05	H3	180.0°	180.0°
C04	C06	C05	C03	0.2°	0.0°
C04	C06	C05	H2	179.8°	179.9°
N08	C07	C01	C02	0.6°	0.2°
N08	C07	C01	O17	178.8°	179.9°
N08	C07	C01	C03	178.0°	180.0°
C02	C01	C07	C03	178.6°	179.7°
C02	C01	C07	O17	179.4°	179.7°
C02	C01	C03	C05	1.0°	0.0°
C02	C01	C03	N10	179.0°	180.0°
C01	C02	C04	H1	179.3°	180.0°
C06	C05	C03	C01	0.2°	0.0°
C06	C05	C03	H2	180.0°	179.9°
C06	C05	C03	N10	179.7°	180.0°
C05	C06	C04	H1	180.0°	180.0°
C07	C01	C03	C05	179.4°	179.7°
C07	C01	C03	N10	0.5°	0.3°
C01	C07	N08	H7	178.7°	180.0°
O17	C07	C01	C03	0.7°	0.0°
O17	C07	N08	H7	0.1°	0.1°
C01	C03	C05	N10	179.9°	180.0°
C01	C03	N10	C11	179.1°	172.4°
C01	C03	C05	H2	179.8°	180.0°
C01	C03	N10	H8	0.9°	7.6°
C15	C13	C11	H5	180.0°	180.0°
C15	C13	C11	N10	179.9°	179.7°
C15	C13	C11	C12	0.2°	0.0°
C13	C15	C16	C14	0.1°	0.1°
C13	C15	C16	H6	179.9°	179.9°
C13	C11	N10	C03	69.5°	42.4°
C11	C13	C15	C16	0.2°	0.0°
C13	C11	N10	C12	179.9°	179.8°
C13	C11	C12	C14	0.1°	0.0°
C13	C11	C12	H4	179.9°	180.0°
C13	C11	N10	H8	110.5°	137.6°
C05	C03	N10	C11	0.8°	7.6°
C03	C05	C06	H3	179.8°	180.0°
C05	C03	N10	H8	179.2°	172.4°
C03	N10	C11	H8	180.0°	180.0°
C03	N10	C11	C12	110.6°	137.8°
N10	C03	C05	H2	0.3°	0.1°
C15	C16	C14	H6	180.0°	179.9°
C15	C16	C14	C12	0.0°	0.1°
C15	C16	C14	C18	180.0°	180.0°
C16	C15	C13	H5	179.8°	180.0°
N10	C11	C12	C14	180.0°	179.7°
N10	C11	C12	H4	0.0°	0.2°
N10	C11	C13	H5	0.1°	0.2°
C11	C12	C14	C16	0.0°	0.0°
C11	C12	C14	H4	180.0°	180.0°
C11	C12	C14	C18	180.0°	180.0°
C12	C11	C13	H5	179.8°	180.0°
C12	C11	N10	H8	69.4°	42.1°
C16	C14	C12	C18	180.0°	180.0°
C16	C14	C18	F19	83.8°	90.0°
C16	C14	C18	F21	36.1°	150.0°
C16	C14	C18	F20	156.2°	30.0°
C16	C14	C12	H4	180.0°	179.9°
C12	C14	C18	F19	96.2°	90.0°
C12	C14	C18	F21	143.9°	30.0°
C12	C14	C18	F20	23.8°	150.0°
C12	C14	C16	H6	180.0°	179.9°
C14	C18	F19	F21	119.9°	120.0°
C14	C18	F19	F20	120.7°	120.0°
C14	C18	F21	F20	120.9°	120.0°
C18	C14	C12	H4	0.0°	0.0°
C18	C14	C16	H6	0.0°	0.1°
F19	C18	F21	F20	119.5°	120.0°
H1	C04	C06	H3	0.0°	0.1°
H2	C05	C06	H3	0.3°	0.1°

Release date:	2018-04-04
Definition date:	2017-12-08
Last modified:	2018-03-29
Release status:	REL
Processing site:	RCSB
Derived from:	6F78