22M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.40Å	1.47Å	Aromatic
C1	C9	doub	1.36Å	1.45Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	sing	1.48Å	1.48Å
C2	C6	doub	1.39Å	1.45Å	Aromatic
C3	N4	doub	1.30Å	1.43Å
C3	N5	sing	1.38Å	1.42Å
N4	HN4	sing	0.97Å	1.00Å
N5	HN51	sing	0.97Å	1.00Å
N5	HN52	sing	0.97Å	1.00Å
C6	C7	sing	1.39Å	1.47Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	doub	1.41Å	1.43Å	Aromatic
C7	N19	sing	1.38Å	1.35Å	Aromatic
C8	C9	sing	1.40Å	1.45Å	Aromatic
C8	C10	sing	1.42Å	1.39Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	C11	doub	1.36Å	1.40Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C11	C12	sing	1.48Å	1.52Å	Aromatic
C11	N19	sing	1.38Å	1.36Å	Aromatic
C12	C13	doub	1.40Å	1.46Å	Aromatic
C12	C17	sing	1.40Å	1.47Å	Aromatic
C13	C14	sing	1.38Å	1.45Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	doub	1.38Å	1.44Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	C16	sing	1.38Å	1.44Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C17	doub	1.38Å	1.46Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C18	sing	1.51Å	1.50Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
N19	HN19	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C9	120.3°	120.4°
C2	C1	H1	119.9°	119.8°
C1	C2	C3	120.3°	119.9°
C1	C2	C6	121.1°	120.3°
C9	C1	H1	119.9°	119.8°
C1	C9	C8	117.7°	120.0°
C1	C9	H9	121.1°	120.0°
C3	C2	C6	118.5°	119.8°
C2	C3	N4	120.2°	120.0°
C2	C3	N5	121.4°	120.0°
C2	C6	C7	118.1°	119.7°
C2	C6	H6	120.9°	120.2°
N4	C3	N5	118.4°	119.9°
C3	N4	HN4	107.8°	120.0°
C3	N5	HN51	126.1°	120.0°
C3	N5	HN52	107.8°	120.0°
HN51	N5	HN52	126.1°	120.0°
C7	C6	H6	121.0°	120.1°
C6	C7	C8	119.7°	119.6°
C6	C7	N19	132.0°	133.2°
C8	C7	N19	108.4°	107.3°
C7	C8	C9	123.1°	120.0°
C7	C8	C10	106.7°	106.8°
C7	N19	C11	108.8°	108.8°
C7	N19	HN19	125.6°	125.6°
C9	C8	C10	130.3°	133.2°
C8	C9	H9	121.2°	120.0°
C8	C10	C11	106.7°	107.8°
C8	C10	H10	126.6°	126.1°
C11	C10	H10	126.6°	126.1°
C10	C11	C12	127.2°	125.4°
C10	C11	N19	109.4°	109.3°
C12	C11	N19	123.5°	125.3°
C11	C12	C13	116.9°	120.1°
C11	C12	C17	123.9°	120.2°
C11	N19	HN19	125.6°	125.7°
C13	C12	C17	119.3°	119.7°
C12	C13	C14	120.3°	119.8°
C12	C13	H13	119.8°	120.1°
C12	C17	C16	119.0°	119.8°
C12	C17	C18	123.7°	120.1°
C14	C13	H13	119.9°	120.0°
C13	C14	C15	120.4°	120.1°
C13	C14	H14	119.8°	119.9°
C15	C14	H14	119.8°	120.0°
C14	C15	C16	119.6°	120.3°
C14	C15	H15	120.2°	119.9°
C16	C15	H15	120.2°	119.8°
C15	C16	C17	121.3°	120.2°
C15	C16	H16	119.4°	119.9°
C17	C16	H16	119.3°	119.9°
C16	C17	C18	117.3°	120.1°
C17	C18	H181	109.5°	109.4°
C17	C18	H182	109.4°	109.4°
C17	C18	H183	109.5°	109.4°
H181	C18	H182	109.5°	109.5°
H181	C18	H183	109.5°	109.5°
H182	C18	H183	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C9	H1	180.0°	180.0°
C1	C2	C3	C6	179.7°	180.0°
C1	C2	C3	N4	31.1°	180.0°
C1	C2	C3	N5	149.4°	0.0°
C1	C2	C6	C7	0.0°	0.0°
C1	C2	C6	H6	179.9°	180.0°
C2	C1	C9	C8	0.0°	0.0°
C2	C1	C9	H9	179.9°	179.9°
C9	C1	C2	C3	179.6°	180.0°
C9	C1	C2	C6	0.0°	0.0°
C1	C9	C8	C7	0.2°	0.0°
C1	C9	C8	H9	180.0°	179.9°
C1	C9	C8	C10	179.9°	179.7°
H1	C1	C2	C3	0.4°	0.0°
H1	C1	C2	C6	180.0°	180.0°
H1	C1	C9	C8	180.0°	180.0°
H1	C1	C9	H9	0.1°	0.1°
C2	C3	N4	N5	179.5°	179.9°
C2	C3	N4	HN4	0.3°	180.0°
C2	C3	N5	HN51	0.0°	0.0°
C2	C3	N5	HN52	180.0°	180.0°
C3	C2	C6	C7	179.7°	180.0°
C3	C2	C6	H6	0.3°	0.0°
C6	C2	C3	N4	148.5°	0.0°
C6	C2	C3	N5	30.9°	180.0°
C2	C6	C7	H6	180.0°	179.9°
C2	C6	C7	C8	0.2°	0.1°
C2	C6	C7	N19	180.0°	180.0°
N4	C3	N5	HN51	179.5°	179.9°
N4	C3	N5	HN52	0.5°	0.0°
N5	C3	N4	HN4	179.7°	0.0°
C3	N5	HN51	HN52	180.0°	180.0°
C6	C7	C8	N19	179.9°	179.9°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	C10	179.9°	179.8°
C6	C7	N19	C11	180.0°	180.0°
C6	C7	N19	HN19	0.0°	0.1°
H6	C6	C7	C8	179.8°	180.0°
H6	C6	C7	N19	0.1°	0.1°
C7	C8	C9	C10	179.8°	179.7°
C7	C8	C9	H9	179.8°	179.9°
C7	C8	C10	C11	0.0°	0.3°
C7	C8	C10	H10	180.0°	179.8°
C8	C7	N19	C11	0.1°	0.0°
C8	C7	N19	HN19	179.9°	180.0°
N19	C7	C8	C9	179.9°	180.0°
N19	C7	C8	C10	0.0°	0.2°
C7	N19	C11	C10	0.1°	0.2°
C7	N19	C11	C12	179.7°	180.0°
C7	N19	C11	HN19	180.0°	179.9°
C9	C8	C10	C11	179.8°	179.9°
C9	C8	C10	H10	0.2°	0.0°
C10	C8	C9	H9	0.0°	0.4°
C8	C10	C11	H10	180.0°	179.9°
C8	C10	C11	C12	179.7°	179.9°
C8	C10	C11	N19	0.1°	0.3°
C10	C11	C12	N19	179.8°	179.7°
C10	C11	C12	C13	55.1°	45.5°
C10	C11	C12	C17	125.2°	135.2°
C10	C11	N19	HN19	179.9°	179.8°
H10	C10	C11	C12	0.3°	0.0°
H10	C10	C11	N19	179.9°	179.8°
C11	C12	C13	C17	179.7°	179.4°
C11	C12	C13	C14	179.7°	180.0°
C11	C12	C13	H13	0.3°	0.3°
C11	C12	C17	C16	179.7°	180.0°
C11	C12	C17	C18	0.3°	0.3°
C12	C11	N19	HN19	0.3°	0.0°
N19	C11	C12	C13	124.6°	134.3°
N19	C11	C12	C17	55.0°	45.1°
C12	C13	C14	H13	180.0°	179.7°
C12	C13	C14	C15	0.0°	0.3°
C12	C13	C14	H14	180.0°	179.7°
C13	C12	C17	C16	0.0°	0.6°
C13	C12	C17	C18	179.9°	179.7°
C17	C12	C13	C14	0.0°	0.6°
C17	C12	C13	H13	180.0°	179.7°
C12	C17	C16	C15	0.1°	0.4°
C12	C17	C16	C18	180.0°	179.7°
C12	C17	C16	H16	179.9°	179.7°
C12	C17	C18	H181	19.8°	84.9°
C12	C17	C18	H182	139.8°	35.0°
C12	C17	C18	H183	100.2°	155.1°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	0.1°	0.1°
C13	C14	C15	H15	179.9°	179.9°
H13	C13	C14	C15	180.0°	180.0°
H13	C13	C14	H14	0.0°	0.0°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	0.1°	0.1°
C14	C15	C16	H16	179.9°	180.0°
H14	C14	C15	C16	180.0°	180.0°
H14	C14	C15	H15	0.0°	0.0°
C15	C16	C17	H16	180.0°	179.9°
C15	C16	C17	C18	179.9°	180.0°
H15	C15	C16	C17	179.9°	179.9°
H15	C15	C16	H16	0.1°	0.0°
C16	C17	C18	H181	160.2°	95.4°
C16	C17	C18	H182	40.2°	144.6°
C16	C17	C18	H183	79.8°	24.6°
H16	C16	C17	C18	0.1°	0.1°
C17	C18	H181	H182	120.0°	120.0°
C17	C18	H181	H183	120.0°	120.0°
C17	C18	H182	H183	120.0°	120.0°
H181	C18	H182	H183	120.0°	120.1°

Definition date:	2006-03-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2G5V