2K9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C9	doub	1.22Å	1.25Å
N3	C10	sing	1.33Å	1.37Å	Aromatic
N3	C5	doub	1.32Å	1.35Å	Aromatic
C9	C5	sing	1.47Å	1.51Å
C9	N2	sing	1.35Å	1.36Å
C10	C6	doub	1.36Å	1.38Å	Aromatic
C5	N1	sing	1.37Å	1.34Å	Aromatic
N2	C2	doub	1.31Å	1.35Å
N1	C6	sing	1.36Å	1.33Å	Aromatic
N1	C1	sing	1.40Å	1.34Å
C2	C1	sing	1.47Å	1.48Å
C2	C4	sing	1.49Å	1.37Å
C1	C3	doub	1.36Å	1.46Å
C4	C8	doub	1.38Å	1.39Å	Aromatic
C4	C7	sing	1.41Å	1.39Å	Aromatic
C8	C12	sing	1.39Å	1.40Å	Aromatic
C3	C7	sing	1.47Å	1.47Å
C7	C11	doub	1.40Å	1.40Å	Aromatic
C12	C14	doub	1.36Å	1.40Å	Aromatic
C11	C14	sing	1.40Å	1.40Å	Aromatic
C11	C13	sing	1.48Å	1.49Å
C13	C15	doub	1.40Å	1.39Å	Aromatic
C13	C16	sing	1.40Å	1.40Å	Aromatic
C15	C17	sing	1.38Å	1.40Å	Aromatic
C16	C18	doub	1.38Å	1.39Å	Aromatic
C17	C19	doub	1.38Å	1.40Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C9	C5	119.2°	119.8°
O1	C9	N2	120.3°	119.8°
C10	N3	C5	108.7°	109.2°
N3	C10	C6	109.0°	108.4°
N3	C10	H1	125.5°	125.8°
N3	C5	C9	134.8°	132.7°
N3	C5	N1	104.2°	108.1°
C5	C9	N2	120.5°	120.4°
C9	C5	N1	121.0°	119.2°
C9	N2	C2	116.6°	121.5°
C10	C6	N1	102.8°	107.0°
C6	C10	H1	125.5°	125.8°
C10	C6	H2	128.6°	126.5°
C5	N1	C6	115.2°	107.3°
C5	N1	C1	118.9°	119.2°
N2	C2	C1	123.3°	120.6°
N2	C2	C4	130.6°	132.7°
C6	N1	C1	125.9°	133.6°
N1	C6	H2	128.6°	126.5°
N1	C1	C2	119.8°	119.1°
N1	C1	C3	129.1°	132.3°
C1	C2	C4	106.1°	106.7°
C2	C1	C3	111.0°	108.6°
C2	C4	C8	128.0°	133.3°
C2	C4	C7	109.5°	106.6°
C1	C3	C7	100.3°	109.8°
C1	C3	H6	129.9°	125.1°
C8	C4	C7	122.5°	120.1°
C4	C8	C12	117.7°	120.1°
C4	C8	H3	121.1°	119.9°
C4	C7	C3	113.0°	108.2°
C4	C7	C11	119.9°	119.2°
C8	C12	C14	120.7°	120.6°
C12	C8	H3	121.1°	119.9°
C8	C12	H4	119.6°	119.7°
C3	C7	C11	127.0°	132.5°
C7	C3	H6	129.8°	125.1°
C7	C11	C14	118.3°	119.6°
C7	C11	C13	122.8°	120.2°
C12	C14	C11	120.9°	120.4°
C14	C12	H4	119.6°	119.7°
C12	C14	H5	119.6°	119.8°
C14	C11	C13	118.8°	120.2°
C11	C14	H5	119.6°	119.8°
C11	C13	C15	124.0°	120.2°
C11	C13	C16	116.7°	120.1°
C15	C13	C16	119.3°	119.7°
C13	C15	C17	118.9°	119.9°
C13	C15	H13	120.5°	120.0°
C13	C16	C18	121.8°	119.9°
C13	C16	H7	119.1°	120.1°
C15	C17	C19	121.4°	120.1°
C15	C17	H11	119.3°	120.0°
C17	C15	H13	120.5°	120.1°
C16	C18	C19	118.9°	120.1°
C18	C16	H7	119.1°	120.1°
C16	C18	H9	120.6°	119.9°
C17	C19	C18	119.7°	120.3°
C17	C19	H10	120.1°	119.9°
C19	C17	H11	119.3°	119.9°
C19	C18	H9	120.6°	119.9°
C18	C19	H10	120.1°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C9	C5	N3	0.1°	0.0°
O1	C9	C5	N2	179.9°	179.6°
O1	C9	C5	N1	179.8°	180.0°
O1	C9	N2	C2	179.6°	179.6°
C10	N3	C5	C9	179.9°	180.0°
N3	C10	C6	H1	180.0°	180.0°
C10	N3	C5	N1	0.1°	0.0°
N3	C10	C6	N1	0.3°	0.0°
N3	C10	C6	H2	179.7°	180.0°
N3	C5	C9	N1	179.7°	180.0°
N3	C5	C9	N2	179.8°	179.7°
C5	N3	C10	C6	0.3°	0.0°
N3	C5	N1	C6	0.1°	0.0°
N3	C5	N1	C1	179.4°	180.0°
C5	N3	C10	H1	179.7°	180.0°
C5	C9	N2	C2	0.3°	0.7°
C9	C5	N1	C6	179.7°	180.0°
C9	C5	N1	C1	0.4°	0.0°
N2	C9	C5	N1	0.1°	0.3°
C9	N2	C2	C1	0.1°	0.7°
C9	N2	C2	C4	180.0°	180.0°
C10	C6	N1	C5	0.2°	0.0°
C10	C6	N1	H2	180.0°	180.0°
C10	C6	N1	C1	179.5°	179.9°
C5	N1	C6	C1	179.2°	179.9°
C5	N1	C1	C2	0.8°	0.0°
C5	N1	C1	C3	179.9°	180.0°
C5	N1	C6	H2	179.7°	180.0°
N2	C2	C1	N1	0.6°	0.3°
N2	C2	C1	C4	179.9°	179.4°
N2	C2	C1	C3	180.0°	179.6°
N2	C2	C4	C8	0.1°	0.1°
N2	C2	C4	C7	179.8°	180.0°
C6	N1	C1	C2	180.0°	180.0°
C6	N1	C1	C3	0.9°	0.1°
N1	C6	C10	H1	179.7°	180.0°
N1	C1	C2	C3	179.3°	179.9°
N1	C1	C2	C4	179.4°	179.8°
N1	C1	C3	C7	179.1°	179.7°
C1	N1	C6	H2	0.5°	0.0°
N1	C1	C3	H6	0.8°	0.1°
C1	C2	C4	C8	180.0°	179.4°
C1	C2	C4	C7	0.3°	0.7°
C2	C1	C3	C7	0.1°	0.4°
C2	C1	C3	H6	179.9°	180.0°
C4	C2	C1	C3	0.1°	0.2°
C2	C4	C8	C7	179.7°	179.9°
C2	C4	C8	C12	179.7°	180.0°
C2	C4	C7	C3	0.4°	0.9°
C2	C4	C7	C11	179.8°	180.0°
C2	C4	C8	H3	0.2°	0.1°
C1	C3	C7	C4	0.3°	0.8°
C1	C3	C7	H6	180.0°	179.6°
C1	C3	C7	C11	179.6°	179.8°
C4	C8	C12	H3	180.0°	180.0°
C8	C4	C7	C3	179.9°	179.2°
C8	C4	C7	C11	0.5°	0.1°
C4	C8	C12	C14	0.1°	0.0°
C4	C8	C12	H4	179.9°	179.9°
C7	C4	C8	C12	0.1°	0.0°
C4	C7	C3	C11	179.3°	179.0°
C4	C7	C11	C14	1.0°	0.0°
C4	C7	C11	C13	178.0°	179.9°
C7	C4	C8	H3	179.9°	180.0°
C4	C7	C3	H6	179.7°	179.6°
C8	C12	C14	H4	180.0°	179.9°
C8	C12	C14	C11	0.6°	0.1°
C8	C12	C14	H5	179.4°	180.0°
C3	C7	C11	C14	179.8°	178.9°
C3	C7	C11	C13	2.8°	1.0°
C7	C11	C14	C12	1.0°	0.0°
C7	C11	C14	C13	177.1°	179.9°
C7	C11	C13	C15	53.9°	130.0°
C7	C11	C13	C16	124.1°	49.8°
C7	C11	C14	H5	179.0°	180.0°
C11	C7	C3	H6	0.4°	0.6°
C12	C14	C11	H5	180.0°	179.9°
C12	C14	C11	C13	178.1°	179.9°
C14	C12	C8	H3	179.9°	179.9°
C14	C11	C13	C15	129.1°	49.9°
C14	C11	C13	C16	52.9°	130.3°
C11	C14	C12	H4	179.4°	180.0°
C11	C13	C15	C16	178.0°	179.8°
C11	C13	C15	C17	178.8°	179.7°
C11	C13	C16	C18	179.2°	180.0°
C13	C11	C14	H5	1.9°	0.1°
C11	C13	C16	H7	0.8°	0.1°
C11	C13	C15	H13	1.2°	0.1°
C13	C15	C17	H13	180.0°	179.8°
C15	C13	C16	C18	1.1°	0.2°
C13	C15	C17	C19	0.2°	0.5°
C15	C13	C16	H7	178.9°	179.8°
C13	C15	C17	H11	179.8°	179.7°
C16	C13	C15	C17	0.8°	0.5°
C13	C16	C18	H7	180.0°	180.0°
C13	C16	C18	C19	0.7°	0.0°
C13	C16	C18	H9	179.3°	179.9°
C16	C13	C15	H13	179.2°	179.8°
C15	C17	C19	H11	180.0°	179.8°
C15	C17	C19	C18	0.2°	0.3°
C15	C17	C19	H10	179.8°	179.7°
C16	C18	C19	C17	0.0°	0.0°
C16	C18	C19	H9	180.0°	180.0°
C16	C18	C19	H10	180.0°	180.0°
C17	C19	C18	H10	180.0°	180.0°
C17	C19	C18	H9	180.0°	180.0°
C19	C17	C15	H13	179.8°	179.7°
C19	C18	C16	H7	179.3°	180.0°
C18	C19	C17	H11	179.8°	179.9°
H1	C10	C6	H2	0.3°	0.0°
H3	C8	C12	H4	0.1°	0.0°
H4	C12	C14	H5	0.6°	0.1°
H7	C16	C18	H9	0.7°	0.0°
H9	C18	C19	H10	0.0°	0.0°
H10	C19	C17	H11	0.2°	0.1°
H11	C17	C15	H13	0.2°	0.1°

Release date:	2015-03-25
Definition date:	2013-11-14
Last modified:	2015-03-20
Release status:	REL
Processing site:	RCSB
Derived from:	4N55