51K

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F25	C23	sing	1.40Å	1.31Å
N3	C2	doub	1.30Å	1.36Å	Aromatic
N3	N4	sing	1.29Å	1.41Å	Aromatic
F21	C19	sing	1.40Å	1.31Å
C2	O1	sing	1.34Å	1.39Å	Aromatic
C23	F26	sing	1.40Å	1.32Å
C23	C17	sing	1.51Å	1.48Å
C23	F24	sing	1.40Å	1.33Å
C16	C17	doub	1.38Å	1.37Å	Aromatic
C16	C15	sing	1.38Å	1.37Å	Aromatic
N4	C5	doub	1.30Å	1.35Å	Aromatic
F20	C19	sing	1.40Å	1.33Å
C17	C18	sing	1.38Å	1.39Å	Aromatic
C19	C15	sing	1.51Å	1.48Å
C19	F22	sing	1.40Å	1.32Å
C15	C14	doub	1.38Å	1.39Å	Aromatic
O1	C5	sing	1.34Å	1.36Å	Aromatic
C18	C13	doub	1.39Å	1.38Å	Aromatic
C14	C13	sing	1.39Å	1.38Å	Aromatic
C5	C6	sing	1.51Å	1.50Å
C13	C10	sing	1.48Å	1.48Å
N11	C10	sing	1.34Å	1.35Å	Aromatic
N11	C12	doub	1.31Å	1.34Å	Aromatic
C10	N9	doub	1.32Å	1.34Å	Aromatic
N9	N8	sing	1.40Å	1.38Å	Aromatic
C12	N8	sing	1.34Å	1.33Å	Aromatic
C6	C7	sing	1.53Å	1.52Å
N8	C7	sing	1.47Å	1.47Å
C16	H1	sing	1.08Å	1.08Å
C18	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F25	C23	F26	107.7°	109.5°
F25	C23	C17	107.6°	109.5°
F25	C23	F24	108.4°	109.5°
C2	N3	N4	106.6°	109.4°
N3	C2	O1	109.0°	107.4°
N3	C2	H9	125.5°	126.3°
N3	N4	C5	108.3°	109.4°
F21	C19	F20	110.7°	109.5°
F21	C19	C15	109.7°	109.5°
F21	C19	F22	105.9°	109.4°
C2	O1	C5	107.3°	106.4°
O1	C2	H9	125.5°	126.3°
F26	C23	C17	110.7°	109.4°
F26	C23	F24	114.0°	109.5°
C17	C23	F24	108.3°	109.4°
C23	C17	C16	116.2°	119.9°
C23	C17	C18	122.8°	119.9°
C17	C16	C15	119.4°	120.2°
C16	C17	C18	120.9°	120.2°
C17	C16	H1	120.3°	119.9°
C16	C15	C19	118.1°	119.9°
C16	C15	C14	121.0°	120.1°
C15	C16	H1	120.3°	119.9°
N4	C5	O1	108.9°	107.4°
N4	C5	C6	126.0°	126.3°
F20	C19	C15	109.1°	109.5°
F20	C19	F22	113.0°	109.6°
C17	C18	C13	119.2°	119.8°
C17	C18	H2	120.4°	120.1°
C15	C19	F22	108.3°	109.4°
C19	C15	C14	120.9°	119.9°
C15	C14	C13	119.4°	119.9°
C15	C14	H3	120.3°	120.0°
O1	C5	C6	125.1°	126.3°
C18	C13	C14	120.1°	119.8°
C18	C13	C10	121.5°	120.1°
C13	C18	H2	120.4°	120.0°
C14	C13	C10	118.4°	120.1°
C13	C14	H3	120.3°	120.1°
C5	C6	C7	109.7°	109.5°
C5	C6	H7	109.4°	109.5°
C5	C6	H8	109.4°	109.5°
C13	C10	N11	125.0°	125.7°
C13	C10	N9	124.9°	125.6°
C10	N11	C12	108.3°	109.8°
N11	C10	N9	110.1°	108.7°
N11	C12	N8	106.6°	108.3°
N11	C12	H4	126.7°	125.8°
C10	N9	N8	104.1°	106.7°
N9	N8	C12	110.9°	106.6°
N9	N8	C7	115.2°	126.7°
C12	N8	C7	133.8°	126.7°
N8	C12	H4	126.7°	125.9°
C6	C7	N8	111.9°	109.5°
C6	C7	H5	108.8°	109.5°
C6	C7	H6	108.9°	109.4°
C7	C6	H7	109.4°	109.5°
C7	C6	H8	109.4°	109.4°
N8	C7	H5	108.9°	109.5°
N8	C7	H6	108.9°	109.5°
H5	C7	H6	109.5°	109.5°
H7	C6	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F25	C23	F26	C17	117.4°	120.0°
F25	C23	F26	F24	120.3°	120.1°
F25	C23	C17	F24	116.9°	120.0°
F25	C23	C17	C16	76.1°	30.3°
F25	C23	C17	C18	102.8°	149.9°
N3	C2	O1	H9	180.0°	179.8°
C2	N3	N4	C5	0.3°	0.0°
N3	C2	O1	C5	0.4°	0.4°
N4	N3	C2	O1	0.4°	0.2°
N3	N4	C5	O1	0.0°	0.3°
N3	N4	C5	C6	180.0°	180.0°
N4	N3	C2	H9	179.6°	180.0°
F21	C19	C15	C16	37.7°	120.0°
F21	C19	F20	C15	120.8°	120.0°
F21	C19	F20	F22	118.6°	120.0°
F21	C19	C15	F22	115.1°	119.9°
F21	C19	C15	C14	143.6°	60.0°
C2	O1	C5	N4	0.2°	0.4°
C2	O1	C5	C6	179.7°	179.9°
F26	C23	C17	F24	125.7°	120.0°
F26	C23	C17	C16	166.5°	89.7°
F26	C23	C17	C18	14.6°	90.1°
C23	C17	C16	C18	178.9°	179.8°
C23	C17	C16	C15	178.1°	180.0°
C23	C17	C18	C13	178.8°	180.0°
C23	C17	C16	H1	1.9°	0.1°
C23	C17	C18	H2	1.3°	0.1°
F24	C23	C17	C16	40.9°	150.3°
F24	C23	C17	C18	140.2°	30.0°
C17	C16	C15	H1	180.0°	179.9°
C17	C16	C15	C19	180.0°	180.0°
C17	C16	C15	C14	1.3°	0.0°
C16	C17	C18	C13	0.1°	0.2°
C16	C17	C18	H2	179.9°	179.7°
C16	C15	C19	F20	159.1°	120.0°
C15	C16	C17	C18	0.8°	0.2°
C16	C15	C19	C14	178.7°	180.0°
C16	C15	C19	F22	77.4°	0.0°
C16	C15	C14	C13	1.0°	0.2°
C16	C15	C14	H3	179.0°	180.0°
N4	C5	O1	C6	179.9°	179.7°
N4	C5	C6	C7	161.4°	90.0°
N4	C5	C6	H7	78.6°	30.0°
N4	C5	C6	H8	41.3°	150.0°
F20	C19	C15	F22	123.4°	120.1°
F20	C19	C15	C14	22.2°	60.0°
C17	C18	C13	H2	180.0°	179.9°
C17	C18	C13	C14	0.2°	0.0°
C17	C18	C13	C10	179.0°	179.9°
C18	C17	C16	H1	179.2°	179.9°
C19	C15	C14	C13	179.7°	179.8°
C19	C15	C16	H1	0.0°	0.1°
C19	C15	C14	H3	0.3°	0.0°
F22	C19	C15	C14	101.2°	179.9°
C15	C14	C13	C18	0.3°	0.2°
C15	C14	C13	H3	180.0°	179.8°
C15	C14	C13	C10	179.5°	179.7°
C14	C15	C16	H1	178.7°	179.9°
O1	C5	C6	C7	18.6°	90.3°
O1	C5	C6	H7	101.4°	149.7°
O1	C5	C6	H8	138.6°	29.7°
C5	O1	C2	H9	179.6°	179.8°
C18	C13	C14	C10	179.2°	179.9°
C18	C13	C10	N11	160.2°	0.3°
C18	C13	C10	N9	20.1°	180.0°
C18	C13	C14	H3	179.7°	180.0°
C14	C13	C10	N11	20.6°	179.6°
C14	C13	C10	N9	159.1°	0.1°
C14	C13	C18	H2	179.9°	179.9°
C5	C6	C7	H7	120.0°	120.0°
C5	C6	C7	H8	120.1°	120.0°
C5	C6	C7	N8	74.3°	180.0°
C5	C6	C7	H5	165.3°	60.0°
C5	C6	C7	H6	46.0°	60.0°
C5	C6	H7	H8	119.9°	120.0°
C13	C10	N11	N9	179.7°	179.8°
C13	C10	N11	C12	179.2°	179.8°
C13	C10	N9	N8	179.4°	180.0°
C10	C13	C18	H2	1.0°	0.0°
C10	C13	C14	H3	0.5°	0.1°
N11	C10	N9	N8	0.3°	0.3°
C10	N11	C12	N8	0.5°	0.5°
C10	N11	C12	H4	179.5°	179.8°
C12	N11	C10	N9	0.5°	0.5°
N11	C12	N8	N9	0.3°	0.3°
N11	C12	N8	H4	180.0°	179.8°
N11	C12	N8	C7	179.4°	179.8°
C10	N9	N8	C12	0.0°	0.0°
C10	N9	N8	C7	179.3°	180.0°
N9	N8	C12	C7	179.2°	179.9°
N9	N8	C7	C6	55.2°	55.0°
N9	N8	C12	H4	179.7°	179.9°
N9	N8	C7	H5	65.1°	65.0°
N9	N8	C7	H6	175.6°	175.0°
C12	N8	C7	C6	125.7°	124.9°
C12	N8	C7	H5	114.0°	115.1°
C12	N8	C7	H6	5.3°	5.0°
C6	C7	N8	H5	120.3°	120.0°
C6	C7	N8	H6	120.4°	120.0°
C6	C7	H5	H6	118.9°	120.0°
C7	C6	H7	H8	119.9°	120.0°
C7	N8	C12	H4	0.6°	0.0°
N8	C7	H5	H6	118.9°	120.0°
N8	C7	C6	H7	45.7°	60.0°
N8	C7	C6	H8	165.6°	60.0°
H5	C7	C6	H7	74.6°	180.0°
H5	C7	C6	H8	45.3°	60.0°
H6	C7	C6	H7	166.1°	60.0°
H6	C7	C6	H8	74.0°	180.0°

Release date:	2012-08-31
Definition date:	2012-08-23
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	4GPT