K23

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	CL2	sing	1.74Å	1.72Å
C1	C3	doub	1.39Å	1.36Å	Aromatic
C1	C7	sing	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.37Å	1.39Å	Aromatic
C4	C5	doub	1.40Å	1.39Å	Aromatic
C5	C6	sing	1.41Å	1.38Å	Aromatic
C5	C13	sing	1.47Å	1.39Å	Aromatic
C6	C7	doub	1.39Å	1.38Å	Aromatic
C6	N8	sing	1.38Å	1.31Å	Aromatic
N8	C9	sing	1.38Å	1.33Å	Aromatic
C9	C10	sing	1.42Å	1.55Å
C9	C13	doub	1.39Å	1.38Å	Aromatic
C10	O11	sing	1.35Å	1.24Å
C10	O12	doub	1.22Å	1.23Å
C13	C14	sing	1.47Å	1.40Å	Aromatic
C14	C15	doub	1.39Å	1.41Å	Aromatic
C14	N24	sing	1.38Å	1.33Å	Aromatic
C15	C16	sing	1.48Å	1.39Å	Aromatic
C15	N22	sing	1.34Å	1.34Å	Aromatic
C16	C17	doub	1.40Å	1.38Å	Aromatic
C16	C21	sing	1.40Å	1.37Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
C18	C19	doub	1.38Å	1.38Å	Aromatic
C19	C20	sing	1.38Å	1.39Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
N22	C23	doub	1.30Å	1.33Å	Aromatic
C23	N24	sing	1.35Å	1.34Å	Aromatic
N24	C25	sing	1.47Å	1.46Å
C25	C26	sing	1.51Å	1.49Å
C26	C27	doub	1.38Å	1.38Å	Aromatic
C26	C32	sing	1.38Å	1.38Å	Aromatic
C27	C28	sing	1.38Å	1.38Å	Aromatic
C28	C29	doub	1.38Å	1.37Å	Aromatic
C29	CL30	sing	1.74Å	1.71Å
C29	C31	sing	1.38Å	1.39Å	Aromatic
C31	C32	doub	1.38Å	1.39Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
N8	HN8	sing	0.97Å	1.00Å
O11	HO11	sing	0.97Å	0.95Å
C17	H17	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C27	H27	sing	1.08Å	1.08Å
C28	H28	sing	1.08Å	1.08Å
C31	H31	sing	1.08Å	1.08Å
C32	H32	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL2	C1	C3	123.1°	119.7°
CL2	C1	C7	117.0°	119.7°
C3	C1	C7	119.9°	120.6°
C1	C3	C4	120.7°	120.5°
C1	C3	H3	119.7°	119.8°
C1	C7	C6	119.9°	119.8°
C1	C7	H7	120.0°	120.1°
C3	C4	C5	119.9°	119.9°
C4	C3	H3	119.6°	119.7°
C3	C4	H4	120.0°	120.1°
C4	C5	C6	118.8°	120.0°
C4	C5	C13	134.5°	133.5°
C5	C4	H4	120.0°	120.0°
C6	C5	C13	106.7°	106.5°
C5	C6	C7	120.9°	119.2°
C5	C6	N8	109.3°	108.1°
C5	C13	C9	105.2°	106.4°
C5	C13	C14	123.4°	126.8°
C7	C6	N8	129.8°	132.7°
C6	C7	H7	120.1°	120.1°
C6	N8	C9	109.1°	110.1°
C6	N8	HN8	125.4°	124.9°
N8	C9	C10	118.9°	125.5°
N8	C9	C13	109.6°	108.9°
C9	N8	HN8	125.5°	125.0°
C10	C9	C13	131.4°	125.6°
C9	C10	O11	115.7°	120.0°
C9	C10	O12	121.7°	120.0°
C9	C13	C14	131.1°	126.8°
O11	C10	O12	122.6°	120.0°
C10	O11	HO11	109.5°	114.0°
C13	C14	C15	129.7°	127.0°
C13	C14	N24	125.7°	127.0°
C15	C14	N24	104.5°	106.0°
C14	C15	C16	129.0°	126.4°
C14	C15	N22	108.5°	107.3°
C14	N24	C23	110.6°	107.4°
C14	N24	C25	124.3°	126.3°
C16	C15	N22	122.4°	126.3°
C15	C16	C17	119.1°	120.2°
C15	C16	C21	122.2°	120.1°
C15	N22	C23	107.9°	109.6°
C17	C16	C21	118.5°	119.7°
C16	C17	C18	121.9°	119.9°
C16	C17	H17	119.1°	120.0°
C16	C21	C20	120.4°	119.9°
C16	C21	H21	119.8°	120.0°
C17	C18	C19	119.4°	120.2°
C18	C17	H17	119.1°	120.1°
C17	C18	H18	120.3°	119.9°
C18	C19	C20	118.9°	120.3°
C19	C18	H18	120.3°	119.9°
C18	C19	H19	120.6°	119.9°
C19	C20	C21	120.8°	120.1°
C20	C19	H19	120.5°	119.8°
C19	C20	H20	119.6°	120.0°
C21	C20	H20	119.6°	119.9°
C20	C21	H21	119.8°	120.1°
N22	C23	N24	108.4°	109.6°
N22	C23	H23	125.8°	125.2°
C23	N24	C25	125.0°	126.3°
N24	C23	H23	125.8°	125.2°
N24	C25	C26	112.9°	109.5°
N24	C25	H25	108.3°	109.5°
N24	C25	H25A	108.4°	109.5°
C25	C26	C27	118.1°	120.0°
C25	C26	C32	120.6°	120.0°
C26	C25	H25	108.4°	109.4°
C26	C25	H25A	108.3°	109.5°
C27	C26	C32	121.3°	120.1°
C26	C27	C28	118.8°	120.0°
C26	C27	H27	120.6°	120.0°
C26	C32	C31	120.0°	120.0°
C26	C32	H32	120.0°	120.0°
C27	C28	C29	120.3°	120.0°
C28	C27	H27	120.6°	120.0°
C27	C28	H28	119.9°	120.0°
C28	C29	CL30	118.2°	120.0°
C28	C29	C31	121.6°	120.0°
C29	C28	H28	119.8°	120.0°
CL30	C29	C31	120.2°	120.0°
C29	C31	C32	118.1°	120.0°
C29	C31	H31	121.0°	120.0°
C32	C31	H31	121.0°	120.0°
C31	C32	H32	120.0°	120.0°
H25	C25	H25A	110.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL2	C1	C3	C7	179.3°	179.7°
CL2	C1	C3	C4	179.9°	179.9°
CL2	C1	C7	C6	179.7°	179.7°
CL2	C1	C3	H3	0.1°	0.1°
CL2	C1	C7	H7	0.3°	0.0°
C1	C3	C4	H3	180.0°	179.9°
C1	C3	C4	C5	0.3°	0.1°
C3	C1	C7	C6	1.0°	0.6°
C1	C3	C4	H4	179.7°	179.9°
C3	C1	C7	H7	179.0°	179.7°
C7	C1	C3	C4	0.6°	0.4°
C1	C7	C6	C5	0.5°	0.6°
C1	C7	C6	H7	180.0°	179.7°
C1	C7	C6	N8	178.8°	179.8°
C7	C1	C3	H3	179.3°	179.8°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	C6	0.8°	0.1°
C3	C4	C5	C13	177.4°	180.0°
C4	C5	C6	C13	178.7°	179.9°
C4	C5	C6	C7	0.5°	0.3°
C4	C5	C6	N8	179.8°	180.0°
C4	C5	C13	C9	178.7°	179.9°
C4	C5	C13	C14	4.2°	0.0°
C5	C4	C3	H3	179.7°	180.0°
C5	C6	C7	N8	179.2°	179.6°
C5	C6	N8	C9	1.2°	0.1°
C6	C5	C13	C9	3.0°	0.0°
C6	C5	C13	C14	177.4°	179.9°
C6	C5	C4	H4	179.1°	180.0°
C5	C6	C7	H7	179.6°	179.7°
C5	C6	N8	HN8	178.8°	180.0°
C13	C5	C6	C7	178.2°	179.7°
C13	C5	C6	N8	1.2°	0.0°
C5	C13	C9	N8	3.8°	0.0°
C5	C13	C9	C10	179.8°	180.0°
C5	C13	C9	C14	173.9°	180.0°
C5	C13	C14	C15	73.7°	90.0°
C5	C13	C14	N24	101.5°	89.7°
C13	C5	C4	H4	2.7°	0.0°
C7	C6	N8	C9	179.5°	179.7°
C7	C6	N8	HN8	0.5°	0.3°
C6	N8	C9	HN8	180.0°	180.0°
C6	N8	C9	C10	179.7°	180.0°
C6	N8	C9	C13	3.2°	0.1°
N8	C6	C7	H7	1.2°	0.1°
N8	C9	C10	C13	175.7°	179.9°
N8	C9	C10	O11	16.4°	0.1°
N8	C9	C10	O12	165.5°	180.0°
N8	C9	C13	C14	177.6°	180.0°
C9	C10	O11	O12	178.1°	179.9°
C10	C9	C13	C14	6.4°	0.1°
C10	C9	N8	HN8	0.3°	0.0°
C9	C10	O11	HO11	178.1°	180.0°
C13	C9	C10	O11	159.3°	179.9°
C13	C9	C10	O12	18.8°	0.0°
C9	C13	C14	C15	113.4°	90.0°
C9	C13	C14	N24	71.4°	90.4°
C13	C9	N8	HN8	176.9°	180.0°
O12	C10	O11	HO11	0.0°	0.1°
C13	C14	C15	N24	176.0°	179.7°
C13	C14	C15	C16	4.1°	0.0°
C13	C14	C15	N22	177.3°	180.0°
C13	C14	N24	C23	177.9°	179.9°
C13	C14	N24	C25	5.2°	0.1°
C14	C15	C16	N22	178.4°	180.0°
C14	C15	C16	C17	140.7°	145.0°
C14	C15	C16	C21	43.9°	35.3°
C14	C15	N22	C23	0.4°	0.0°
C15	C14	N24	C23	1.7°	0.4°
C15	C14	N24	C25	178.6°	179.8°
N24	C14	C15	C16	179.9°	179.7°
N24	C14	C15	N22	1.3°	0.2°
C14	N24	C23	N22	1.5°	0.4°
C14	N24	C23	C25	176.9°	179.9°
C14	N24	C25	C26	73.4°	85.0°
C14	N24	C23	H23	178.4°	179.8°
C14	N24	C25	H25	46.7°	155.0°
C14	N24	C25	H25A	166.7°	35.0°
C15	C16	C17	C21	175.6°	179.7°
C15	C16	C17	C18	178.2°	180.0°
C15	C16	C21	C20	177.3°	179.7°
C16	C15	N22	C23	179.1°	179.9°
C15	C16	C17	H17	1.8°	0.1°
C15	C16	C21	H21	2.7°	0.0°
N22	C15	C16	C17	40.9°	34.9°
N22	C15	C16	C21	134.5°	144.7°
C15	N22	C23	N24	0.6°	0.2°
C15	N22	C23	H23	179.3°	179.9°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C19	1.9°	0.1°
C17	C16	C21	C20	1.8°	0.6°
C16	C17	C18	H18	178.1°	180.0°
C17	C16	C21	H21	178.2°	179.7°
C21	C16	C17	C18	2.6°	0.3°
C16	C21	C20	C19	0.4°	0.6°
C16	C21	C20	H21	180.0°	179.7°
C21	C16	C17	H17	177.4°	179.8°
C16	C21	C20	H20	179.6°	179.7°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.4°	0.1°
C17	C18	C19	H19	179.6°	179.9°
C18	C19	C20	H19	180.0°	179.9°
C18	C19	C20	C21	0.3°	0.3°
C19	C18	C17	H17	178.1°	180.0°
C18	C19	C20	H20	179.7°	179.9°
C19	C20	C21	H20	180.0°	179.7°
C20	C19	C18	H18	179.6°	180.0°
C19	C20	C21	H21	179.6°	179.7°
C21	C20	C19	H19	179.7°	179.8°
N22	C23	N24	H23	180.0°	179.9°
N22	C23	N24	C25	178.4°	179.8°
C23	N24	C25	C26	110.2°	94.8°
C23	N24	C25	H25	129.8°	25.1°
C23	N24	C25	H25A	9.8°	145.1°
N24	C25	C26	H25	120.0°	120.0°
N24	C25	C26	H25A	120.0°	120.0°
N24	C25	C26	C27	139.3°	90.0°
N24	C25	C26	C32	40.4°	90.2°
C25	N24	C23	H23	1.6°	0.1°
N24	C25	H25	H25A	118.6°	120.0°
C25	C26	C27	C32	179.7°	179.8°
C25	C26	C27	C28	179.9°	180.0°
C25	C26	C32	C31	179.5°	179.7°
C26	C25	H25	H25A	118.6°	120.0°
C25	C26	C27	H27	0.1°	0.0°
C25	C26	C32	H32	0.5°	0.1°
C26	C27	C28	H27	180.0°	180.0°
C26	C27	C28	C29	0.1°	0.0°
C27	C26	C32	C31	0.8°	0.5°
C27	C26	C25	H25	19.3°	30.0°
C27	C26	C25	H25A	100.7°	150.0°
C26	C27	C28	H28	179.9°	180.0°
C27	C26	C32	H32	179.2°	179.7°
C32	C26	C27	C28	0.2°	0.2°
C26	C32	C31	C29	0.9°	0.5°
C26	C32	C31	H32	180.0°	179.9°
C32	C26	C25	H25	160.4°	149.8°
C32	C26	C25	H25A	79.6°	29.8°
C32	C26	C27	H27	179.8°	179.8°
C26	C32	C31	H31	179.0°	179.8°
C27	C28	C29	H28	180.0°	180.0°
C27	C28	C29	CL30	178.0°	180.0°
C27	C28	C29	C31	0.1°	0.0°
C28	C29	CL30	C31	177.9°	179.9°
C28	C29	C31	C32	0.6°	0.2°
C29	C28	C27	H27	179.9°	180.0°
C28	C29	C31	H31	179.4°	180.0°
CL30	C29	C31	C32	178.4°	179.7°
CL30	C29	C28	H28	2.1°	0.0°
CL30	C29	C31	H31	1.5°	0.0°
C29	C31	C32	H31	180.0°	179.8°
C31	C29	C28	H28	179.9°	180.0°
C29	C31	C32	H32	179.0°	179.7°
H3	C3	C4	H4	0.3°	0.1°
H17	C17	C18	H18	1.9°	0.1°
H18	C18	C19	H19	0.4°	0.1°
H19	C19	C20	H20	0.3°	0.1°
H20	C20	C21	H21	0.4°	0.0°
H27	C27	C28	H28	0.1°	0.0°
H31	C31	C32	H32	1.0°	0.1°

Definition date:	2010-01-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3LBK