3K9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	C23	sing	1.40Å	1.42Å	Aromatic
C24	N25	doub	1.31Å	1.34Å	Aromatic
C23	C22	doub	1.35Å	1.38Å	Aromatic
N25	N21	sing	1.40Å	1.35Å	Aromatic
C22	N21	sing	1.35Å	1.37Å	Aromatic
N21	C20	sing	1.40Å	1.40Å
C19	C20	doub	1.39Å	1.38Å	Aromatic
C19	C18	sing	1.38Å	1.38Å	Aromatic
C20	C26	sing	1.39Å	1.38Å	Aromatic
F28	C18	sing	1.35Å	1.33Å
C18	C17	doub	1.39Å	1.38Å	Aromatic
C26	C27	doub	1.38Å	1.38Å	Aromatic
C17	C27	sing	1.39Å	1.38Å	Aromatic
C17	N16	sing	1.40Å	1.41Å
C32	O31	sing	1.43Å	1.43Å
C29	N16	sing	1.35Å	1.38Å
C29	C30	doub	1.36Å	1.34Å
N16	N15	sing	1.28Å	1.36Å
O31	C30	sing	1.36Å	1.38Å
C30	C2	sing	1.42Å	1.47Å
N15	C3	doub	1.32Å	1.29Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C11	C10	doub	1.38Å	1.38Å	Aromatic
C2	C3	sing	1.47Å	1.50Å
C2	O1	doub	1.22Å	1.22Å
C3	C4	sing	1.48Å	1.44Å
C14	C9	doub	1.39Å	1.38Å	Aromatic
C10	C9	sing	1.39Å	1.38Å	Aromatic
C9	N8	sing	1.40Å	1.41Å
C4	N8	sing	1.37Å	1.37Å	Aromatic
C4	C5	doub	1.38Å	1.38Å	Aromatic
N8	N7	sing	1.40Å	1.35Å	Aromatic
C5	C6	sing	1.39Å	1.41Å	Aromatic
N7	C6	doub	1.31Å	1.34Å	Aromatic
C12	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C26	H6	sing	1.08Å	1.08Å
C27	H7	sing	1.08Å	1.08Å
C23	H8	sing	1.08Å	1.08Å
C5	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C24	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.08Å	1.08Å
C22	H13	sing	1.08Å	1.08Å
C29	H14	sing	1.08Å	1.08Å
C32	H15	sing	1.09Å	1.10Å
C32	H16	sing	1.09Å	1.10Å
C32	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C23	C24	N25	111.2°	108.2°
C24	C23	C22	105.2°	107.9°
C24	C23	H8	127.4°	126.0°
C23	C24	H11	124.4°	125.8°
C24	N25	N21	104.6°	108.2°
N25	C24	H11	124.4°	125.9°
C23	C22	N21	106.1°	107.7°
C22	C23	H8	127.4°	126.0°
C23	C22	H13	127.0°	126.2°
N25	N21	C22	112.9°	107.9°
N25	N21	C20	121.1°	126.0°
C22	N21	C20	125.9°	126.1°
N21	C22	H13	126.9°	126.1°
N21	C20	C19	119.8°	120.0°
N21	C20	C26	119.4°	120.0°
C20	C19	C18	118.6°	120.0°
C19	C20	C26	120.8°	120.1°
C20	C19	H10	120.7°	120.1°
C19	C18	F28	118.8°	120.0°
C19	C18	C17	121.9°	119.9°
C18	C19	H10	120.7°	120.0°
C20	C26	C27	119.3°	120.0°
C20	C26	H6	120.4°	120.0°
F28	C18	C17	119.3°	120.0°
C18	C17	C27	118.2°	120.0°
C18	C17	N16	123.4°	120.0°
C26	C27	C17	121.2°	120.0°
C27	C26	H6	120.4°	120.0°
C26	C27	H7	119.4°	120.0°
C27	C17	N16	118.3°	120.0°
C17	C27	H7	119.4°	120.0°
C17	N16	C29	126.6°	118.3°
C17	N16	N15	110.4°	118.3°
C32	O31	C30	110.1°	117.0°
O31	C32	H15	109.5°	109.5°
O31	C32	H16	109.5°	109.5°
O31	C32	H17	109.5°	109.5°
N16	C29	C30	124.2°	120.8°
C29	N16	N15	123.1°	123.3°
N16	C29	H14	117.9°	119.6°
C29	C30	O31	128.8°	121.2°
C29	C30	C2	114.9°	117.7°
C30	C29	H14	117.9°	119.6°
N16	N15	C3	118.5°	122.2°
O31	C30	C2	116.4°	121.1°
C30	C2	C3	117.2°	117.2°
C30	C2	O1	122.6°	121.4°
N15	C3	C2	122.1°	118.8°
N15	C3	C4	118.9°	120.6°
C13	C12	C11	120.5°	120.2°
C12	C13	C14	119.9°	120.0°
C13	C12	H1	119.7°	119.9°
C12	C13	H3	120.0°	120.0°
C12	C11	C10	119.4°	120.0°
C11	C12	H1	119.7°	119.9°
C12	C11	H2	120.3°	120.0°
C13	C14	C9	119.6°	120.0°
C14	C13	H3	120.0°	120.0°
C13	C14	H5	120.2°	120.0°
C11	C10	C9	119.9°	119.9°
C10	C11	H2	120.3°	120.0°
C11	C10	H4	120.0°	120.0°
C3	C2	O1	120.1°	121.4°
C2	C3	C4	118.9°	120.6°
C3	C4	N8	125.2°	126.5°
C3	C4	C5	129.0°	126.4°
C14	C9	C10	120.6°	119.9°
C14	C9	N8	119.5°	120.1°
C9	C14	H5	120.2°	120.0°
C10	C9	N8	119.9°	120.0°
C9	C10	H4	120.1°	120.1°
C9	N8	C4	126.7°	126.1°
C9	N8	N7	119.8°	126.2°
N8	C4	C5	105.7°	107.1°
C4	N8	N7	112.9°	107.7°
C4	C5	C6	105.3°	107.7°
C4	C5	H9	127.3°	126.1°
N8	N7	C6	104.7°	108.7°
C5	C6	N7	111.3°	108.8°
C6	C5	H9	127.4°	126.2°
C5	C6	H12	124.3°	125.7°
N7	C6	H12	124.4°	125.6°
H15	C32	H16	109.5°	109.5°
H15	C32	H17	109.5°	109.4°
H16	C32	H17	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C24	N25	H11	180.0°	179.9°
C24	C23	C22	H8	180.0°	179.7°
C23	C24	N25	N21	0.4°	0.2°
C24	C23	C22	N21	0.3°	0.3°
C24	C23	C22	H13	179.7°	179.8°
N25	C24	C23	C22	0.0°	0.0°
C24	N25	N21	C22	0.6°	0.4°
C24	N25	N21	C20	177.3°	180.0°
N25	C24	C23	H8	179.9°	179.8°
C23	C22	N21	N25	0.6°	0.4°
C23	C22	N21	H13	180.0°	179.9°
C23	C22	N21	C20	177.1°	180.0°
C22	C23	C24	H11	180.0°	179.9°
N25	N21	C22	C20	176.5°	179.7°
N25	N21	C20	C19	15.9°	0.4°
N25	N21	C20	C26	163.3°	179.6°
N21	N25	C24	H11	179.6°	179.7°
N25	N21	C22	H13	179.4°	179.7°
C22	N21	C20	C19	167.9°	180.0°
C22	N21	C20	C26	12.9°	0.0°
N21	C22	C23	H8	179.7°	180.0°
N21	C20	C19	C26	179.2°	180.0°
N21	C20	C19	C18	177.9°	179.4°
N21	C20	C26	C27	177.9°	180.0°
N21	C20	C26	H6	2.1°	0.3°
N21	C20	C19	H10	2.1°	0.0°
C20	N21	C22	H13	2.9°	0.0°
C20	C19	C18	H10	180.0°	179.4°
C20	C19	C18	F28	178.7°	180.0°
C20	C19	C18	C17	0.5°	0.8°
C19	C20	C26	C27	1.3°	0.0°
C19	C20	C26	H6	178.6°	179.8°
C18	C19	C20	C26	1.4°	0.5°
C19	C18	F28	C17	179.2°	179.2°
C19	C18	C17	C27	0.4°	0.5°
C19	C18	C17	N16	177.0°	179.5°
C20	C26	C27	H6	180.0°	179.7°
C20	C26	C27	C17	0.4°	0.3°
C20	C26	C27	H7	179.6°	179.7°
C26	C20	C19	H10	178.7°	179.9°
F28	C18	C17	C27	179.6°	179.7°
F28	C18	C17	N16	2.1°	0.3°
F28	C18	C19	H10	1.3°	0.6°
C18	C17	C27	C26	0.5°	0.0°
C18	C17	C27	N16	177.6°	180.0°
C18	C17	N16	C29	37.3°	95.0°
C18	C17	N16	N15	141.3°	85.0°
C18	C17	C27	H7	179.6°	180.0°
C17	C18	C19	H10	179.5°	179.8°
C26	C27	C17	H7	180.0°	180.0°
C26	C27	C17	N16	177.1°	180.0°
C27	C17	N16	C29	145.2°	85.0°
C27	C17	N16	N15	36.2°	95.0°
C17	C27	C26	H6	179.6°	180.0°
C17	N16	C29	N15	178.5°	180.0°
C17	N16	C29	C30	179.5°	179.9°
C17	N16	N15	C3	179.7°	180.0°
N16	C17	C27	H7	2.8°	0.0°
C17	N16	C29	H14	0.5°	0.2°
C32	O31	C30	C29	0.8°	0.1°
C32	O31	C30	C2	179.5°	179.9°
O31	C32	H15	H16	120.0°	120.0°
O31	C32	H15	H17	120.0°	120.0°
O31	C32	H16	H17	120.0°	120.0°
N16	C29	C30	H14	180.0°	179.8°
N16	C29	C30	O31	179.8°	180.0°
N16	C29	C30	C2	0.5°	0.1°
C29	N16	N15	C3	1.6°	0.1°
C30	C29	N16	N15	1.1°	0.1°
C29	C30	O31	C2	179.7°	179.9°
C29	C30	C2	C3	1.4°	0.1°
C29	C30	C2	O1	179.0°	179.9°
N16	N15	C3	C2	0.5°	0.0°
N16	N15	C3	C4	177.8°	180.0°
N15	N16	C29	H14	178.9°	179.7°
O31	C30	C2	C3	178.9°	180.0°
O31	C30	C2	O1	0.8°	0.0°
O31	C30	C29	H14	0.2°	0.2°
C30	O31	C32	H15	180.0°	180.0°
C30	O31	C32	H16	60.0°	60.0°
C30	O31	C32	H17	60.0°	60.0°
C30	C2	C3	N15	0.9°	0.0°
C30	C2	C3	O1	179.6°	180.0°
C30	C2	C3	C4	176.3°	179.9°
C2	C30	C29	H14	179.5°	179.7°
N15	C3	C2	C4	177.3°	180.0°
N15	C3	C2	O1	179.4°	180.0°
N15	C3	C4	N8	28.9°	123.6°
N15	C3	C4	C5	147.8°	56.1°
C13	C12	C11	H1	180.0°	179.7°
C12	C13	C14	H3	180.0°	180.0°
C13	C12	C11	C10	0.3°	0.0°
C12	C13	C14	C9	0.3°	0.0°
C13	C12	C11	H2	179.7°	180.0°
C12	C13	C14	H5	179.7°	179.9°
C11	C12	C13	C14	0.2°	0.0°
C12	C11	C10	H2	180.0°	180.0°
C12	C11	C10	C9	0.6°	0.0°
C11	C12	C13	H3	179.8°	180.0°
C12	C11	C10	H4	179.4°	179.9°
C13	C14	C9	H5	180.0°	180.0°
C13	C14	C9	C10	0.0°	0.0°
C13	C14	C9	N8	179.3°	179.9°
C14	C13	C12	H1	179.9°	179.7°
C11	C10	C9	C14	0.5°	0.0°
C11	C10	C9	H4	180.0°	179.9°
C11	C10	C9	N8	179.8°	179.9°
C10	C11	C12	H1	179.7°	179.7°
C2	C3	C4	N8	153.7°	56.4°
C2	C3	C4	C5	29.6°	123.9°
O1	C2	C3	C4	3.3°	0.1°
C3	C4	N8	C9	11.1°	0.2°
C3	C4	N8	C5	177.3°	179.8°
C3	C4	N8	N7	177.5°	180.0°
C3	C4	C5	C6	177.9°	179.8°
C3	C4	C5	H9	2.1°	0.0°
C14	C9	C10	N8	179.3°	179.9°
C14	C9	N8	C4	116.2°	41.1°
C14	C9	N8	N7	72.9°	139.2°
C9	C14	C13	H3	179.7°	180.0°
C14	C9	C10	H4	179.5°	179.9°
C10	C9	N8	C4	64.5°	139.0°
C10	C9	N8	N7	106.3°	40.7°
C9	C10	C11	H2	179.4°	180.0°
C10	C9	C14	H5	180.0°	179.9°
C9	N8	C4	N7	171.4°	179.8°
C9	N8	C4	C5	171.6°	180.0°
C9	N8	N7	C6	171.6°	179.9°
N8	C9	C10	H4	0.3°	0.0°
N8	C9	C14	H5	0.7°	0.1°
N8	C4	C5	C6	0.7°	0.1°
C4	N8	N7	C6	0.4°	0.4°
N8	C4	C5	H9	179.3°	179.8°
C5	C4	N8	N7	0.2°	0.3°
C4	C5	C6	H9	180.0°	179.8°
C4	C5	C6	N7	1.0°	0.2°
C4	C5	C6	H12	179.0°	179.7°
N8	N7	C6	C5	0.9°	0.3°
N8	N7	C6	H12	179.1°	179.6°
C5	C6	N7	H12	180.0°	179.9°
N7	C6	C5	H9	179.0°	180.0°
H1	C12	C11	H2	0.3°	0.3°
H1	C12	C13	H3	0.2°	0.3°
H2	C11	C10	H4	0.6°	0.1°
H3	C13	C14	H5	0.3°	0.0°
H6	C26	C27	H7	0.5°	0.0°
H8	C23	C24	H11	0.1°	0.4°
H8	C23	C22	H13	0.3°	0.1°
H9	C5	C6	H12	1.0°	0.1°
H15	C32	H16	H17	120.0°	120.0°

Release date:	2014-11-19
Definition date:	2014-09-03
Last modified:	2014-11-14
Release status:	REL
Processing site:	PDBJ
Derived from:	3WYM