7XI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C2	sing	1.74Å	1.74Å
C2	N1	doub	1.32Å	1.32Å	Aromatic
C2	N3	sing	1.32Å	1.32Å	Aromatic
N1	C6	sing	1.33Å	1.35Å	Aromatic
N3	C4	doub	1.33Å	1.35Å	Aromatic
C6	N10	sing	1.38Å	1.33Å
C6	C5	doub	1.41Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.41Å	1.37Å	Aromatic
C4	N7	sing	1.37Å	1.36Å	Aromatic
C5	N9	sing	1.36Å	1.41Å	Aromatic
C16	C17	doub	1.39Å	1.39Å	Aromatic
C13	C12	sing	1.51Å	1.51Å
C13	C18	doub	1.38Å	1.39Å	Aromatic
N7	C12	sing	1.46Å	1.46Å
N7	C8	sing	1.36Å	1.36Å	Aromatic
C17	C18	sing	1.39Å	1.39Å	Aromatic
C17	O19	sing	1.36Å	1.38Å
N9	C8	doub	1.30Å	1.31Å	Aromatic
O19	C20	sing	1.43Å	1.44Å
C20	C21	sing	1.53Å	1.61Å
F22	C21	sing	1.40Å	1.36Å
F23	C21	sing	1.40Å	1.36Å
C8	H1	sing	1.08Å	1.08Å
N10	H2	sing	0.97Å	1.00Å
N10	H3	sing	0.97Å	1.00Å
C12	H4	sing	1.09Å	1.10Å
C12	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C20	H10	sing	1.09Å	1.10Å
C20	H11	sing	1.09Å	1.10Å
C21	H12	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C2	N1	114.9°	118.8°
CL1	C2	N3	114.8°	118.8°
N1	C2	N3	130.2°	122.4°
C2	N1	C6	117.8°	121.2°
C2	N3	C4	110.9°	120.6°
N1	C6	N10	117.6°	120.8°
N1	C6	C5	117.5°	118.4°
N3	C4	C5	125.1°	119.1°
N3	C4	N7	127.7°	134.9°
N10	C6	C5	124.9°	120.8°
C6	N10	H2	109.5°	120.0°
C6	N10	H3	109.5°	120.0°
C6	C5	C4	118.5°	118.2°
C6	C5	N9	131.9°	134.6°
C14	C15	C16	120.2°	120.1°
C15	C14	C13	121.0°	120.1°
C15	C14	H6	119.5°	120.0°
C14	C15	H7	119.9°	120.0°
C15	C16	C17	119.1°	119.9°
C16	C15	H7	119.9°	120.0°
C15	C16	H8	120.4°	120.0°
C14	C13	C12	120.3°	120.0°
C14	C13	C18	119.0°	120.0°
C13	C14	H6	119.5°	119.9°
C5	C4	N7	107.2°	106.0°
C4	C5	N9	109.7°	107.1°
C4	N7	C12	127.5°	126.3°
C4	N7	C8	105.3°	107.4°
C5	N9	C8	102.8°	109.4°
C16	C17	C18	120.8°	119.9°
C16	C17	O19	108.9°	120.1°
C17	C16	H8	120.4°	120.0°
C12	C13	C18	120.7°	120.0°
C13	C12	N7	112.5°	109.5°
C13	C12	H4	108.7°	109.5°
C13	C12	H5	108.8°	109.5°
C13	C18	C17	119.9°	120.0°
C13	C18	H9	120.1°	120.0°
C12	N7	C8	127.2°	126.3°
N7	C12	H4	108.7°	109.4°
N7	C12	H5	108.7°	109.5°
N7	C8	N9	115.1°	110.0°
N7	C8	H1	122.5°	125.0°
C18	C17	O19	130.3°	120.1°
C17	C18	H9	120.1°	120.0°
C17	O19	C20	120.0°	117.0°
N9	C8	H1	122.5°	125.1°
O19	C20	C21	101.7°	109.5°
O19	C20	H10	111.4°	109.5°
O19	C20	H11	111.4°	109.5°
C20	C21	F22	110.1°	109.5°
C20	C21	F23	109.8°	109.4°
C21	C20	H10	111.4°	109.4°
C21	C20	H11	111.4°	109.4°
C20	C21	H12	108.2°	109.5°
F22	C21	F23	105.3°	109.5°
F22	C21	H12	111.7°	109.5°
F23	C21	H12	111.7°	109.5°
H2	N10	H3	109.5°	120.0°
H4	C12	H5	109.4°	109.5°
H10	C20	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C2	N1	N3	176.4°	180.0°
CL1	C2	N1	C6	174.8°	180.0°
CL1	C2	N3	C4	175.5°	180.0°
N1	C2	N3	C4	0.9°	0.0°
C2	N1	C6	N10	176.8°	180.0°
C2	N1	C6	C5	1.5°	0.0°
N3	C2	N1	C6	1.6°	0.0°
C2	N3	C4	C5	0.1°	0.0°
C2	N3	C4	N7	179.6°	180.0°
N1	C6	N10	C5	178.1°	179.9°
N1	C6	C5	C4	0.8°	0.0°
N1	C6	C5	N9	178.3°	180.0°
N1	C6	N10	H2	0.0°	0.0°
N1	C6	N10	H3	120.0°	179.9°
N3	C4	C5	C6	0.1°	0.0°
N3	C4	C5	N7	179.6°	180.0°
N3	C4	C5	N9	179.2°	180.0°
N3	C4	N7	C12	1.0°	0.0°
N3	C4	N7	C8	179.3°	180.0°
N10	C6	C5	C4	177.3°	180.0°
N10	C6	C5	N9	3.6°	0.1°
C6	N10	H2	H3	120.0°	180.0°
C6	C5	C4	N9	179.3°	180.0°
C6	C5	C4	N7	179.8°	180.0°
C6	C5	N9	C8	179.6°	180.0°
C5	C6	N10	H2	178.1°	180.0°
C5	C6	N10	H3	61.9°	0.0°
C14	C15	C16	H7	180.0°	180.0°
C15	C14	C13	H6	180.0°	179.9°
C14	C15	C16	C17	1.1°	0.1°
C15	C14	C13	C12	178.2°	180.0°
C15	C14	C13	C18	1.3°	0.3°
C14	C15	C16	H8	178.9°	180.0°
C16	C15	C14	C13	0.5°	0.0°
C15	C16	C17	H8	180.0°	179.9°
C15	C16	C17	C18	1.8°	0.2°
C15	C16	C17	O19	176.0°	180.0°
C16	C15	C14	H6	179.5°	179.9°
C14	C13	C12	C18	179.4°	179.8°
C14	C13	C12	N7	93.6°	89.7°
C14	C13	C18	C17	0.5°	0.5°
C14	C13	C12	H4	145.9°	150.3°
C14	C13	C12	H5	26.8°	30.3°
C13	C14	C15	H7	179.6°	180.0°
C14	C13	C18	H9	179.5°	179.7°
C5	C4	N7	C12	179.4°	180.0°
C5	C4	N7	C8	0.3°	0.0°
C4	C5	N9	C8	0.4°	0.0°
N7	C4	C5	N9	0.4°	0.0°
C4	N7	C12	C13	64.8°	85.0°
C4	N7	C12	C8	179.6°	180.0°
C4	N7	C8	N9	0.1°	0.0°
C4	N7	C8	H1	180.0°	180.0°
C4	N7	C12	H4	174.7°	155.0°
C4	N7	C12	H5	55.6°	35.0°
C5	N9	C8	N7	0.2°	0.0°
C5	N9	C8	H1	179.8°	180.0°
C16	C17	C18	C13	1.0°	0.5°
C16	C17	C18	O19	177.3°	179.8°
C16	C17	O19	C20	179.2°	0.1°
C17	C16	C15	H7	178.9°	179.9°
C16	C17	C18	H9	179.0°	179.8°
C13	C12	N7	H4	120.5°	120.0°
C13	C12	N7	H5	120.5°	120.0°
C13	C12	N7	C8	115.6°	95.0°
C12	C13	C18	C17	178.9°	179.7°
C13	C12	H4	H5	118.6°	120.0°
C12	C13	C14	H6	1.9°	0.0°
C12	C13	C18	H9	1.1°	0.0°
C18	C13	C12	N7	85.8°	90.0°
C13	C18	C17	H9	180.0°	179.7°
C13	C18	C17	O19	176.3°	179.7°
C18	C13	C12	H4	34.7°	29.9°
C18	C13	C12	H5	153.8°	150.0°
C18	C13	C14	H6	178.7°	179.8°
C12	N7	C8	N9	179.6°	180.0°
C12	N7	C8	H1	0.4°	0.0°
N7	C12	H4	H5	118.6°	120.0°
N7	C8	N9	H1	180.0°	180.0°
C8	N7	C12	H4	4.9°	25.0°
C8	N7	C12	H5	124.0°	145.0°
C18	C17	O19	C20	1.7°	179.7°
C18	C17	C16	H8	178.2°	179.8°
C17	O19	C20	C21	137.7°	180.0°
O19	C17	C16	H8	4.0°	0.1°
O19	C17	C18	H9	3.7°	0.0°
C17	O19	C20	H10	18.9°	60.1°
C17	O19	C20	H11	103.6°	60.0°
O19	C20	C21	H10	118.7°	120.0°
O19	C20	C21	H11	118.8°	120.0°
O19	C20	C21	F22	46.4°	60.0°
O19	C20	C21	F23	69.1°	60.0°
O19	C20	H10	H11	123.6°	120.1°
O19	C20	C21	H12	168.7°	180.0°
C20	C21	F22	F23	118.3°	120.0°
C20	C21	F22	H12	120.3°	120.0°
C20	C21	F23	H12	120.0°	120.0°
C21	C20	H10	H11	123.6°	119.9°
F22	C21	F23	H12	121.5°	120.0°
F22	C21	C20	H10	165.1°	180.0°
F22	C21	C20	H11	72.4°	60.0°
F23	C21	C20	H10	49.6°	60.1°
F23	C21	C20	H11	172.1°	180.0°
H6	C14	C15	H7	0.5°	0.1°
H7	C15	C16	H8	1.1°	0.0°
H10	C20	C21	H12	72.5°	60.0°
H11	C20	C21	H12	50.0°	60.0°

Release date:	2022-11-02
Definition date:	2021-11-02
Last modified:	2022-10-28
Release status:	REL
Processing site:	PDBJ
Derived from:	7VSL