KLN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	1.35Å	1.35Å	Aromatic
C1	N2	doub	1.31Å	1.30Å	Aromatic
N2	C2	sing	1.34Å	1.34Å	Aromatic
N1	C3	sing	1.37Å	1.37Å	Aromatic
C2	C3	doub	1.35Å	1.34Å	Aromatic
N1	C4	sing	1.47Å	1.46Å
C4	C5	sing	1.53Å	1.53Å
C5	O1	sing	1.43Å	1.43Å
O1	C6	sing	1.44Å	1.43Å
C6	C7	sing	1.55Å	1.54Å
C5	O2	sing	1.44Å	1.43Å
C7	O2	sing	1.45Å	1.45Å
C5	C8	sing	1.51Å	1.50Å
C8	C9	sing	1.38Å	1.40Å	Aromatic
C9	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C8	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.38Å	Aromatic
C11	CL1	sing	1.74Å	1.73Å
C6	C14	sing	1.53Å	1.53Å
C14	O3	sing	1.43Å	1.43Å
O3	C15	sing	1.36Å	1.37Å
C15	C16	doub	1.39Å	1.40Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.39Å	1.40Å	Aromatic
C19	C18	sing	1.39Å	1.40Å	Aromatic
C20	C19	doub	1.38Å	1.38Å	Aromatic
C15	C20	sing	1.39Å	1.39Å	Aromatic
C18	N3	sing	1.40Å	1.41Å
N3	C21	sing	1.47Å	1.47Å
C21	C22	sing	1.53Å	1.54Å
C22	N4	sing	1.47Å	1.49Å
N4	C23	sing	1.47Å	1.49Å
N3	C24	sing	1.47Å	1.48Å
C23	C24	sing	1.53Å	1.54Å
N4	C25	sing	1.35Å	1.36Å
C25	O4	doub	1.21Å	1.22Å
C25	C26	sing	1.51Å	1.51Å
C9	CL2	sing	1.74Å	1.74Å
C1	H1	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4C1	sing	1.09Å	1.10Å
C4	H4C2	sing	1.09Å	1.10Å
C2	H2	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C7	H7C1	sing	1.09Å	1.10Å
C7	H7C2	sing	1.09Å	1.10Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C13	H13	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	N2	108.2°	108.7°
C1	N1	C3	107.8°	107.2°
C1	N1	C4	126.0°	126.4°
N1	C1	H1	125.9°	125.7°
C1	N2	C2	109.6°	109.2°
N2	C1	H1	125.9°	125.6°
N2	C2	C3	108.0°	108.1°
N2	C2	H2	126.0°	126.0°
N1	C3	C2	106.3°	106.8°
C3	N1	C4	126.2°	126.4°
N1	C3	H3	126.8°	126.6°
C2	C3	H3	126.9°	126.6°
C3	C2	H2	126.0°	125.9°
N1	C4	C5	107.8°	109.5°
N1	C4	H4C1	110.1°	109.4°
N1	C4	H4C2	110.4°	109.4°
C4	C5	O1	110.8°	109.6°
C4	C5	O2	109.1°	109.6°
C4	C5	C8	109.3°	109.6°
C5	C4	H4C1	110.0°	109.5°
C5	C4	H4C2	110.4°	109.5°
C5	O1	C6	107.5°	107.3°
O1	C5	O2	108.6°	108.8°
O1	C5	C8	110.0°	109.6°
O1	C6	C7	104.5°	103.1°
O1	C6	C14	109.3°	110.7°
O1	C6	H6	113.2°	110.7°
C6	C7	O2	104.1°	101.7°
C7	C6	C14	110.5°	110.7°
C7	C6	H6	112.0°	110.7°
C6	C7	H7C1	111.3°	111.0°
C6	C7	H7C2	112.5°	111.0°
C5	O2	C7	108.6°	104.8°
O2	C5	C8	109.0°	109.5°
O2	C7	H7C1	111.3°	111.0°
O2	C7	H7C2	112.4°	111.0°
C5	C8	C9	121.6°	120.0°
C5	C8	C13	117.6°	120.0°
C8	C9	C10	119.5°	119.9°
C9	C8	C13	120.8°	120.0°
C8	C9	CL2	121.2°	120.0°
C9	C10	C11	119.2°	120.0°
C10	C9	CL2	119.3°	120.1°
C9	C10	H10	120.4°	120.0°
C10	C11	C12	121.3°	119.9°
C10	C11	CL1	120.6°	120.0°
C11	C10	H10	120.4°	120.0°
C11	C12	C13	119.6°	120.0°
C12	C11	CL1	118.1°	120.0°
C11	C12	H12	120.2°	120.0°
C8	C13	C12	119.6°	120.0°
C8	C13	H13	120.2°	120.0°
C12	C13	H13	120.2°	119.9°
C13	C12	H12	120.2°	120.0°
C6	C14	O3	108.3°	109.5°
C14	C6	H6	107.4°	110.8°
C6	C14	H141	109.9°	109.4°
C6	C14	H142	110.1°	109.5°
C14	O3	C15	112.2°	117.0°
O3	C14	H141	109.8°	109.5°
O3	C14	H142	110.1°	109.5°
O3	C15	C16	123.5°	120.0°
O3	C15	C20	117.0°	120.0°
C15	C16	C17	120.1°	120.0°
C16	C15	C20	119.4°	120.1°
C15	C16	H16	120.0°	120.0°
C16	C17	C18	120.4°	120.0°
C17	C16	H16	119.9°	120.0°
C16	C17	H17	119.8°	120.1°
C17	C18	C19	119.1°	119.9°
C17	C18	N3	120.5°	120.0°
C18	C17	H17	119.8°	119.9°
C18	C19	C20	120.4°	120.0°
C19	C18	N3	120.4°	120.0°
C18	C19	H19	119.8°	120.0°
C19	C20	C15	120.6°	120.0°
C19	C20	H20	119.7°	120.0°
C20	C19	H19	119.8°	120.0°
C15	C20	H20	119.7°	120.0°
C18	N3	C21	109.3°	111.0°
C18	N3	C24	110.0°	111.0°
N3	C21	C22	108.2°	109.4°
C21	N3	C24	106.0°	111.3°
N3	C21	H211	109.9°	109.5°
N3	C21	H212	110.1°	109.5°
C21	C22	N4	112.9°	108.5°
C22	C21	H211	109.9°	109.5°
C22	C21	H212	110.2°	109.5°
C21	C22	H221	108.3°	109.6°
C21	C22	H222	107.5°	109.6°
C22	N4	C23	120.5°	118.2°
C22	N4	C25	119.3°	120.8°
N4	C22	H221	108.3°	109.6°
N4	C22	H222	107.6°	109.7°
N4	C23	C24	112.4°	108.5°
C23	N4	C25	120.1°	120.9°
N4	C23	H231	108.5°	109.6°
N4	C23	H232	107.8°	109.6°
N3	C24	C23	110.4°	109.3°
N3	C24	H241	109.1°	109.5°
N3	C24	H242	109.0°	109.5°
C23	C24	H241	109.2°	109.5°
C23	C24	H242	109.0°	109.5°
C24	C23	H231	108.5°	109.7°
C24	C23	H232	107.8°	109.6°
N4	C25	O4	121.1°	120.0°
N4	C25	C26	120.3°	120.0°
O4	C25	C26	118.6°	120.0°
C25	C26	H261	109.5°	109.4°
C25	C26	H262	109.5°	109.5°
C25	C26	H263	109.4°	109.5°
H4C1	C4	H4C2	108.2°	109.5°
H7C1	C7	H7C2	105.4°	110.9°
H141	C14	H142	108.6°	109.5°
H211	C21	H212	108.5°	109.5°
H241	C24	H242	110.2°	109.5°
H221	C22	H222	112.2°	109.8°
H231	C23	H232	111.8°	109.8°
H261	C26	H262	109.5°	109.5°
H261	C26	H263	109.5°	109.5°
H262	C26	H263	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	N2	H1	180.0°	180.0°
N1	C1	N2	C2	0.1°	0.1°
C1	N1	C3	C4	179.5°	179.8°
C1	N1	C3	C2	0.1°	0.0°
C1	N1	C4	C5	80.3°	90.0°
C1	N1	C3	H3	179.9°	180.0°
C1	N1	C4	H4C1	159.7°	150.0°
C1	N1	C4	H4C2	40.4°	30.0°
N2	C1	N1	C3	0.1°	0.0°
C1	N2	C2	C3	0.0°	0.0°
N2	C1	N1	C4	179.7°	179.8°
C1	N2	C2	H2	180.0°	180.0°
N2	C2	C3	N1	0.1°	0.0°
N2	C2	C3	H2	180.0°	179.9°
C2	N2	C1	H1	179.9°	179.9°
N2	C2	C3	H3	179.9°	179.9°
N1	C3	C2	H3	180.0°	179.9°
C3	N1	C4	C5	99.1°	90.3°
C3	N1	C1	H1	179.9°	179.9°
C3	N1	C4	H4C1	20.8°	29.8°
C3	N1	C4	H4C2	140.2°	149.7°
N1	C3	C2	H2	180.0°	180.0°
C2	C3	N1	C4	179.7°	179.8°
N1	C4	C5	H4C1	120.0°	120.0°
N1	C4	C5	H4C2	120.7°	120.0°
N1	C4	C5	O1	43.9°	59.3°
N1	C4	C5	O2	75.6°	60.1°
N1	C4	C5	C8	165.3°	179.7°
C4	N1	C1	H1	0.4°	0.3°
C4	N1	C3	H3	0.3°	0.2°
N1	C4	H4C1	H4C2	120.7°	119.9°
C4	C5	O1	O2	119.9°	119.9°
C4	C5	O1	C8	120.9°	120.4°
C4	C5	O1	C6	138.6°	119.2°
C4	C5	O2	C8	119.3°	120.3°
C4	C5	O2	C7	123.7°	95.5°
C4	C5	C8	C9	76.6°	180.0°
C4	C5	C8	C13	103.4°	0.2°
C5	C4	H4C1	H4C2	120.7°	120.0°
C5	O1	C6	C7	26.0°	21.4°
O1	C5	O2	C8	119.8°	119.8°
O1	C5	O2	C7	2.8°	24.3°
O1	C5	C8	C9	45.3°	59.6°
O1	C5	C8	C13	134.7°	120.1°
C5	O1	C6	C14	144.3°	139.9°
O1	C5	C4	H4C1	76.1°	60.7°
O1	C5	C4	H4C2	164.6°	179.3°
C5	O1	C6	H6	96.1°	96.9°
O1	C6	C7	C14	117.4°	118.4°
O1	C6	C7	H6	122.9°	118.3°
C6	O1	C5	O2	18.8°	0.7°
O1	C6	C7	O2	23.8°	35.6°
C6	O1	C5	C8	100.4°	120.4°
O1	C6	C14	H6	123.1°	123.1°
O1	C6	C14	O3	110.0°	66.4°
O1	C6	C7	H7C1	96.2°	82.6°
O1	C6	C7	H7C2	145.8°	153.7°
O1	C6	C14	H141	130.1°	173.6°
O1	C6	C14	H142	10.5°	53.6°
C6	C7	O2	C5	12.9°	36.1°
C6	C7	O2	H7C1	120.0°	118.1°
C6	C7	O2	H7C2	122.0°	118.1°
C7	C6	C14	H6	122.5°	123.2°
C7	C6	C14	O3	135.6°	179.9°
C6	C7	H7C1	H7C2	122.2°	123.8°
C7	C6	C14	H141	15.7°	59.9°
C7	C6	C14	H142	103.9°	60.1°
O2	C5	C8	C9	164.2°	59.6°
O2	C5	C8	C13	15.8°	120.6°
O2	C5	C4	H4C1	164.4°	180.0°
O2	C5	C4	H4C2	45.1°	59.9°
C5	O2	C7	H7C1	107.1°	82.0°
C5	O2	C7	H7C2	134.9°	154.3°
C7	O2	C5	C8	117.0°	144.1°
O2	C7	C6	C14	141.2°	154.0°
O2	C7	C6	H6	99.1°	82.8°
O2	C7	H7C1	H7C2	122.2°	123.8°
C5	C8	C9	C13	180.0°	179.8°
C5	C8	C9	C10	179.7°	180.0°
C5	C8	C13	C12	179.8°	179.7°
C5	C8	C9	CL2	0.0°	0.0°
C8	C5	C4	H4C1	45.3°	59.7°
C8	C5	C4	H4C2	74.1°	60.4°
C5	C8	C13	H13	0.2°	0.1°
C8	C9	C10	CL2	179.7°	180.0°
C8	C9	C10	C11	0.2°	0.0°
C9	C8	C13	C12	0.2°	0.5°
C9	C8	C13	H13	179.8°	179.7°
C8	C9	C10	H10	179.8°	180.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	C12	0.0°	0.1°
C10	C9	C8	C13	0.3°	0.2°
C9	C10	C11	CL1	179.8°	180.0°
C10	C11	C12	CL1	179.9°	179.9°
C10	C11	C12	C13	0.0°	0.3°
C11	C10	C9	CL2	179.9°	180.0°
C10	C11	C12	H12	180.0°	180.0°
C11	C12	C13	C8	0.1°	0.6°
C11	C12	C13	H12	180.0°	179.7°
C11	C12	C13	H13	179.9°	179.6°
C12	C11	C10	H10	179.9°	180.0°
C8	C13	C12	H13	180.0°	179.8°
C13	C8	C9	CL2	180.0°	179.8°
C8	C13	C12	H12	179.9°	179.7°
C13	C12	C11	CL1	179.9°	179.7°
CL1	C11	C10	H10	0.2°	0.0°
CL1	C11	C12	H12	0.1°	0.0°
C6	C14	O3	H141	120.0°	120.0°
C6	C14	O3	H142	120.4°	120.0°
C6	C14	O3	C15	109.2°	180.0°
C14	C6	C7	H7C1	21.2°	35.8°
C14	C6	C7	H7C2	96.8°	87.9°
C6	C14	H141	H142	120.5°	120.0°
C14	O3	C15	C16	1.5°	180.0°
C14	O3	C15	C20	178.9°	0.2°
O3	C14	C6	H6	13.2°	56.7°
O3	C14	H141	H142	120.5°	120.0°
O3	C15	C16	C20	179.6°	179.8°
O3	C15	C16	C17	179.4°	180.0°
O3	C15	C20	C19	179.6°	179.7°
C15	O3	C14	H141	130.8°	60.0°
C15	O3	C14	H142	11.2°	60.0°
O3	C15	C20	H20	0.4°	0.1°
O3	C15	C16	H16	0.6°	0.1°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	0.4°	0.0°
C16	C15	C20	C19	0.0°	0.5°
C16	C15	C20	H20	180.0°	179.7°
C15	C16	C17	H17	179.6°	180.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C19	0.4°	0.1°
C17	C16	C15	C20	0.2°	0.3°
C16	C17	C18	N3	180.0°	180.0°
C17	C18	C19	N3	179.6°	179.9°
C17	C18	C19	C20	0.2°	0.3°
C17	C18	N3	C21	66.1°	180.0°
C17	C18	N3	C24	177.9°	55.7°
C18	C17	C16	H16	179.6°	180.0°
C17	C18	C19	H19	179.8°	180.0°
C18	C19	C20	H19	180.0°	179.7°
C18	C19	C20	C15	0.0°	0.5°
C19	C18	N3	C21	114.3°	0.0°
C19	C18	N3	C24	1.7°	124.3°
C18	C19	C20	H20	180.0°	179.7°
C19	C18	C17	H17	179.6°	180.0°
C19	C20	C15	H20	180.0°	179.8°
C20	C19	C18	N3	179.8°	179.8°
C20	C15	C16	H16	179.8°	179.8°
C15	C20	C19	H19	180.0°	179.8°
C18	N3	C21	C24	118.6°	124.2°
C18	N3	C21	C22	169.9°	172.7°
C18	N3	C24	C23	172.3°	172.7°
N3	C18	C19	H19	0.2°	0.1°
N3	C18	C17	H17	0.0°	0.0°
C18	N3	C21	H211	49.9°	52.8°
C18	N3	C21	H212	69.6°	67.3°
C18	N3	C24	H241	67.7°	67.3°
C18	N3	C24	H242	52.7°	52.7°
N3	C21	C22	H211	120.0°	120.0°
N3	C21	C22	H212	120.5°	120.0°
N3	C21	C22	N4	50.0°	53.8°
C21	N3	C24	C23	69.6°	63.1°
N3	C21	H211	H212	120.5°	120.0°
C21	N3	C24	H241	50.4°	56.9°
C21	N3	C24	H242	170.8°	176.9°
N3	C21	C22	H221	70.0°	65.9°
N3	C21	C22	H222	168.5°	173.6°
C21	C22	N4	H221	120.0°	119.7°
C21	C22	N4	H222	118.5°	119.7°
C21	C22	N4	C23	27.7°	51.2°
C22	C21	N3	C24	71.5°	63.1°
C21	C22	N4	C25	154.0°	128.8°
C22	C21	H211	H212	120.5°	120.1°
C21	C22	H221	H222	118.6°	120.5°
C22	N4	C23	C25	178.4°	180.0°
C22	N4	C23	C24	24.8°	51.2°
C22	N4	C25	O4	179.2°	174.6°
C22	N4	C25	C26	1.1°	5.4°
N4	C22	C21	H211	170.0°	173.8°
N4	C22	C21	H212	70.5°	66.2°
N4	C22	H221	H222	118.6°	120.5°
C22	N4	C23	H231	95.2°	68.6°
C22	N4	C23	H232	143.5°	170.9°
N4	C23	C24	N3	44.8°	53.8°
N4	C23	C24	H231	120.0°	119.7°
N4	C23	C24	H232	118.7°	119.6°
C23	N4	C25	O4	0.8°	5.4°
C23	N4	C25	C26	179.5°	174.6°
N4	C23	C24	H241	75.2°	66.1°
N4	C23	C24	H242	164.4°	173.8°
C23	N4	C22	H221	92.3°	68.5°
C23	N4	C22	H222	146.2°	170.9°
N4	C23	H231	H232	118.8°	120.4°
N3	C24	C23	H241	120.0°	119.9°
N3	C24	C23	H242	119.6°	120.0°
C24	N3	C21	H211	168.5°	176.9°
C24	N3	C21	H212	49.0°	56.9°
N3	C24	H241	H242	119.6°	120.1°
N3	C24	C23	H231	75.3°	65.9°
N3	C24	C23	H232	163.5°	173.5°
C24	C23	N4	C25	156.8°	128.8°
C23	C24	H241	H242	119.6°	120.1°
C24	C23	H231	H232	118.8°	120.5°
N4	C25	O4	C26	179.7°	179.9°
C25	N4	C22	H221	86.0°	111.5°
C25	N4	C22	H222	35.5°	9.1°
C25	N4	C23	H231	83.1°	111.4°
C25	N4	C23	H232	38.1°	9.1°
N4	C25	C26	H261	33.6°	94.8°
N4	C25	C26	H262	86.5°	145.3°
N4	C25	C26	H263	153.6°	25.2°
O4	C25	C26	H261	146.7°	85.3°
O4	C25	C26	H262	93.2°	34.7°
O4	C25	C26	H263	26.7°	154.7°
C25	C26	H261	H262	120.0°	120.0°
C25	C26	H261	H263	120.0°	120.0°
C25	C26	H262	H263	119.9°	120.0°
CL2	C9	C10	H10	0.1°	0.0°
H3	C3	C2	H2	0.0°	0.0°
H6	C6	C7	H7C1	140.9°	159.1°
H6	C6	C7	H7C2	22.9°	35.3°
H6	C6	C14	H141	106.8°	63.3°
H6	C6	C14	H142	133.6°	176.7°
H13	C13	C12	H12	0.0°	0.0°
H20	C20	C19	H19	0.0°	0.0°
H16	C16	C17	H17	0.4°	0.1°
H211	C21	C22	H221	50.0°	54.1°
H211	C21	C22	H222	71.5°	66.5°
H212	C21	C22	H221	169.5°	174.1°
H212	C21	C22	H222	48.0°	53.6°
H241	C24	C23	H231	164.8°	174.2°
H241	C24	C23	H232	43.5°	53.5°
H242	C24	C23	H231	44.4°	54.1°
H242	C24	C23	H232	76.9°	66.6°
H261	C26	H262	H263	120.0°	120.0°

Definition date:	2007-05-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB