KSF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL23	C18	sing	1.74Å	1.80Å
C18	C17	doub	1.39Å	1.49Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
C17	C22	sing	1.39Å	1.40Å	Aromatic
C17	N16	sing	1.40Å	1.37Å
C22	C21	doub	1.38Å	1.40Å	Aromatic
C21	C20	sing	1.38Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.40Å	Aromatic
N16	C2	sing	1.38Å	1.38Å
C2	N3	doub	1.32Å	1.35Å	Aromatic
C2	C1	sing	1.41Å	1.49Å	Aromatic
N3	C4	sing	1.33Å	1.34Å	Aromatic
C4	C5	doub	1.36Å	1.38Å	Aromatic
C5	N6	sing	1.38Å	1.36Å	Aromatic
C5	C10	sing	1.48Å	1.52Å	Aromatic
N6	C7	sing	1.34Å	1.34Å	Aromatic
N6	C1	sing	1.38Å	1.36Å	Aromatic
C7	N8	doub	1.31Å	1.35Å	Aromatic
N8	C9	sing	1.33Å	1.34Å	Aromatic
C9	C1	doub	1.38Å	1.43Å	Aromatic
C10	C11	doub	1.40Å	1.42Å	Aromatic
C10	C15	sing	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.38Å	1.41Å	Aromatic
C12	C13	doub	1.38Å	1.40Å	Aromatic
C13	C14	sing	1.38Å	1.42Å	Aromatic
C14	C15	doub	1.38Å	1.41Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
N16	HN16	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL23	C18	C17	118.5°	120.0°
CL23	C18	C19	121.2°	120.1°
C17	C18	C19	120.2°	119.9°
C18	C17	C22	118.5°	119.9°
C18	C17	N16	119.7°	120.0°
C18	C19	C20	119.1°	120.0°
C18	C19	H19	120.5°	120.0°
C22	C17	N16	121.8°	120.1°
C17	C22	C21	119.2°	119.9°
C17	C22	H22	120.4°	120.0°
C17	N16	C2	125.1°	119.9°
C17	N16	HN16	117.5°	120.0°
C22	C21	C20	122.6°	120.1°
C21	C22	H22	120.4°	120.0°
C22	C21	H21	118.7°	119.9°
C21	C20	C19	120.4°	120.2°
C20	C21	H21	118.7°	119.9°
C21	C20	H20	119.8°	120.0°
C19	C20	H20	119.8°	119.9°
C20	C19	H19	120.4°	120.0°
N16	C2	N3	122.7°	120.2°
N16	C2	C1	122.1°	120.1°
C2	N16	HN16	117.4°	120.1°
N3	C2	C1	115.2°	119.7°
C2	N3	C4	121.3°	121.5°
C2	C1	N6	121.2°	119.1°
C2	C1	C9	131.5°	134.6°
N3	C4	C5	124.3°	121.5°
N3	C4	H4	117.8°	119.3°
C4	C5	N6	117.9°	119.6°
C4	C5	C10	116.8°	120.2°
C5	C4	H4	117.8°	119.2°
N6	C5	C10	125.4°	120.2°
C5	N6	C7	131.8°	134.3°
C5	N6	C1	120.2°	118.7°
C5	C10	C11	119.6°	120.1°
C5	C10	C15	121.9°	120.2°
C7	N6	C1	108.0°	107.1°
N6	C7	N8	109.3°	109.4°
N6	C7	H7	125.3°	125.4°
N6	C1	C9	107.3°	106.3°
C7	N8	C9	110.1°	109.9°
N8	C7	H7	125.3°	125.3°
N8	C9	C1	105.3°	107.4°
N8	C9	H9	127.4°	126.3°
C1	C9	H9	127.4°	126.3°
C11	C10	C15	118.4°	119.7°
C10	C11	C12	122.0°	119.8°
C10	C11	H11	119.0°	120.1°
C10	C15	C14	120.3°	119.9°
C10	C15	H15	119.9°	120.1°
C11	C12	C13	118.6°	120.2°
C12	C11	H11	119.0°	120.1°
C11	C12	H12	120.7°	119.9°
C12	C13	C14	119.9°	120.3°
C13	C12	H12	120.7°	119.9°
C12	C13	H13	120.1°	119.9°
C13	C14	C15	120.7°	120.2°
C14	C13	H13	120.0°	119.8°
C13	C14	H14	119.6°	119.9°
C15	C14	H14	119.6°	119.9°
C14	C15	H15	119.8°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL23	C18	C17	C19	177.9°	179.7°
CL23	C18	C17	C22	179.4°	180.0°
CL23	C18	C17	N16	2.0°	0.0°
CL23	C18	C19	C20	179.6°	179.7°
CL23	C18	C19	H19	0.4°	0.0°
C18	C17	C22	N16	178.7°	180.0°
C18	C17	C22	C21	1.0°	0.0°
C17	C18	C19	C20	1.7°	0.7°
C18	C17	N16	C2	73.5°	155.2°
C18	C17	C22	H22	179.0°	180.0°
C17	C18	C19	H19	178.3°	179.7°
C18	C17	N16	HN16	106.6°	24.8°
C19	C18	C17	C22	1.5°	0.3°
C19	C18	C17	N16	179.8°	179.7°
C18	C19	C20	C21	1.6°	0.7°
C18	C19	C20	H19	180.0°	179.6°
C18	C19	C20	H20	178.4°	179.6°
C17	C22	C21	H22	180.0°	180.0°
C17	C22	C21	C20	0.8°	0.0°
C22	C17	N16	C2	105.2°	24.8°
C17	C22	C21	H21	179.2°	180.0°
C22	C17	N16	HN16	74.8°	155.3°
N16	C17	C22	C21	179.6°	180.0°
C17	N16	C2	HN16	180.0°	179.9°
C17	N16	C2	N3	13.8°	5.8°
C17	N16	C2	C1	167.8°	174.4°
N16	C17	C22	H22	0.3°	0.0°
C22	C21	C20	H21	180.0°	180.0°
C22	C21	C20	C19	1.1°	0.3°
C22	C21	C20	H20	178.9°	179.9°
C21	C20	C19	H20	180.0°	179.7°
C20	C21	C22	H22	179.1°	180.0°
C21	C20	C19	H19	178.4°	179.7°
C19	C20	C21	H21	178.9°	179.7°
N16	C2	N3	C1	178.6°	179.8°
N16	C2	N3	C4	179.3°	180.0°
N16	C2	C1	N6	179.1°	179.6°
N16	C2	C1	C9	0.3°	0.8°
C2	N3	C4	C5	0.1°	0.0°
N3	C2	C1	N6	0.5°	0.6°
N3	C2	C1	C9	178.9°	179.5°
N3	C2	N16	HN16	166.2°	174.1°
C2	N3	C4	H4	179.9°	180.0°
C1	C2	N3	C4	0.7°	0.2°
C2	C1	N6	C5	0.4°	0.7°
C2	C1	N6	C7	179.1°	179.7°
C2	C1	N6	C9	179.5°	179.2°
C2	C1	C9	N8	179.5°	179.4°
C1	C2	N16	HN16	12.2°	5.6°
C2	C1	C9	H9	0.5°	0.8°
N3	C4	C5	H4	180.0°	180.0°
N3	C4	C5	N6	0.8°	0.0°
N3	C4	C5	C10	180.0°	179.9°
C4	C5	N6	C10	179.0°	179.9°
C4	C5	N6	C7	179.4°	180.0°
C4	C5	N6	C1	1.0°	0.4°
C4	C5	C10	C11	36.5°	65.1°
C4	C5	C10	C15	139.6°	115.2°
C5	N6	C7	C1	178.5°	179.6°
C5	N6	C7	N8	179.7°	179.9°
C5	N6	C1	C9	179.9°	179.8°
N6	C5	C10	C11	144.5°	115.1°
N6	C5	C10	C15	39.4°	64.6°
N6	C5	C4	H4	179.2°	179.9°
C5	N6	C7	H7	0.3°	0.1°
C10	C5	N6	C7	1.6°	0.2°
C10	C5	N6	C1	180.0°	179.7°
C5	C10	C11	C15	176.2°	179.7°
C5	C10	C11	C12	178.4°	180.0°
C5	C10	C15	C14	177.6°	179.8°
C10	C5	C4	H4	0.1°	0.1°
C5	C10	C11	H11	1.7°	0.1°
C5	C10	C15	H15	2.4°	0.0°
N6	C7	N8	H7	180.0°	180.0°
N6	C7	N8	C9	0.5°	0.0°
C7	N6	C1	C9	1.4°	0.5°
C1	N6	C7	N8	1.2°	0.3°
N6	C1	C9	N8	1.1°	0.5°
C1	N6	C7	H7	178.8°	179.7°
N6	C1	C9	H9	178.9°	179.8°
C7	N8	C9	C1	0.3°	0.3°
C7	N8	C9	H9	179.7°	180.0°
N8	C9	C1	H9	180.0°	179.7°
C9	N8	C7	H7	179.5°	180.0°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.8°	0.0°
C11	C10	C15	C14	1.4°	0.6°
C10	C11	C12	H12	179.1°	179.9°
C11	C10	C15	H15	178.6°	179.7°
C15	C10	C11	C12	2.1°	0.3°
C10	C15	C14	C13	0.5°	0.5°
C10	C15	C14	H15	180.0°	179.7°
C15	C10	C11	H11	177.9°	179.8°
C10	C15	C14	H14	179.5°	179.7°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	1.1°	0.1°
C11	C12	C13	H13	178.9°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	1.8°	0.2°
C13	C12	C11	H11	179.2°	179.9°
C12	C13	C14	H14	178.1°	180.0°
C13	C14	C15	H14	180.0°	179.7°
C14	C13	C12	H12	178.9°	180.0°
C13	C14	C15	H15	179.5°	179.7°
C15	C14	C13	H13	178.2°	179.8°
H22	C22	C21	H21	0.8°	0.0°
H21	C21	C20	H20	1.1°	0.1°
H20	C20	C19	H19	1.6°	0.0°
H11	C11	C12	H12	0.9°	0.0°
H12	C12	C13	H13	1.1°	0.0°
H13	C13	C14	H14	1.9°	0.0°
H14	C14	C15	H15	0.5°	0.0°

Definition date:	2008-04-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZM1