CP9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.79Å	1.76Å	Aromatic
S1	C5	sing	1.78Å	1.76Å	Aromatic
C2	N3	sing	1.35Å	1.40Å	Aromatic
C2	O27	doub	1.22Å	1.23Å
N3	C4	sing	1.38Å	1.41Å	Aromatic
N3	C10	sing	1.47Å	1.48Å
C4	C5	doub	1.40Å	1.41Å	Aromatic
C4	C9	sing	1.40Å	1.42Å	Aromatic
C5	C6	sing	1.37Å	1.42Å	Aromatic
C6	C7	doub	1.38Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.38Å	1.42Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.37Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	H9	sing	1.08Å	1.10Å
C10	C11	sing	1.51Å	1.51Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C11	C12	doub	1.38Å	1.39Å	Aromatic
C11	C16	sing	1.38Å	1.41Å	Aromatic
C12	C13	sing	1.38Å	1.41Å	Aromatic
C12	H12	sing	1.08Å	1.10Å
C13	C14	doub	1.39Å	1.43Å	Aromatic
C13	H13	sing	1.08Å	1.10Å
C14	C15	sing	1.39Å	1.42Å	Aromatic
C14	N17	sing	1.40Å	1.52Å	Aromatic
C15	C16	doub	1.38Å	1.41Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
C16	H16	sing	1.08Å	1.10Å
N17	C18	sing	1.36Å	1.45Å	Aromatic
N17	C21	sing	1.38Å	1.44Å	Aromatic
C18	N19	doub	1.30Å	1.31Å	Aromatic
C18	C26	sing	1.51Å	1.49Å
N19	C20	sing	1.36Å	1.38Å	Aromatic
C20	C21	doub	1.41Å	1.43Å	Aromatic
C20	C25	sing	1.39Å	1.41Å	Aromatic
C21	C22	sing	1.39Å	1.43Å	Aromatic
C22	C23	doub	1.38Å	1.41Å	Aromatic
C22	H22	sing	1.08Å	1.10Å
C23	N24	sing	1.32Å	1.36Å	Aromatic
C23	H23	sing	1.08Å	1.10Å
N24	C25	doub	1.32Å	1.36Å	Aromatic
C25	H25	sing	1.08Å	1.10Å
C26	H261	sing	1.09Å	1.12Å
C26	H262	sing	1.09Å	1.12Å
C26	H263	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C5	92.2°	97.8°
S1	C2	N3	109.5°	102.4°
S1	C2	O27	123.9°	128.7°
S1	C5	C4	110.7°	103.2°
S1	C5	C6	128.3°	134.2°
N3	C2	O27	126.5°	128.8°
C2	N3	C4	115.0°	120.7°
C2	N3	C10	120.6°	119.6°
C4	N3	C10	124.4°	119.6°
N3	C4	C5	112.6°	115.8°
N3	C4	C9	126.9°	127.7°
N3	C10	C11	118.5°	109.5°
N3	C10	H101	108.9°	109.5°
N3	C10	H102	109.0°	109.5°
C5	C4	C9	120.4°	116.5°
C4	C5	C6	121.1°	122.6°
C4	C9	C8	118.3°	120.9°
C4	C9	H9	121.6°	119.6°
C5	C6	C7	118.5°	119.6°
C5	C6	H6	121.0°	120.2°
C7	C6	H6	120.5°	120.2°
C6	C7	C8	120.3°	119.1°
C6	C7	H7	119.6°	120.4°
C8	C7	H7	120.1°	120.5°
C7	C8	C9	121.4°	121.3°
C7	C8	H8	119.9°	119.4°
C9	C8	H8	118.7°	119.3°
C8	C9	H9	120.1°	119.5°
C11	C10	H101	108.9°	109.5°
C11	C10	H102	109.0°	109.5°
C10	C11	C12	123.5°	119.9°
C10	C11	C16	118.4°	119.9°
H101	C10	H102	101.1°	109.5°
C12	C11	C16	118.0°	120.1°
C11	C12	C13	121.5°	120.1°
C11	C12	H12	118.3°	120.0°
C11	C16	C15	121.7°	120.1°
C11	C16	H16	119.2°	120.0°
C13	C12	H12	120.2°	120.0°
C12	C13	C14	120.8°	119.9°
C12	C13	H13	119.1°	120.1°
C14	C13	H13	120.1°	120.0°
C13	C14	C15	117.4°	119.8°
C13	C14	N17	121.8°	120.1°
C15	C14	N17	120.7°	120.1°
C14	C15	C16	120.5°	119.9°
C14	C15	H15	120.0°	120.0°
C14	N17	C18	130.4°	126.3°
C14	N17	C21	125.3°	126.4°
C16	C15	H15	119.5°	120.0°
C15	C16	H16	119.1°	120.0°
C18	N17	C21	104.3°	107.2°
N17	C18	N19	113.0°	110.1°
N17	C18	C26	125.9°	125.0°
N17	C21	C20	104.7°	106.2°
N17	C21	C22	134.7°	135.2°
N19	C18	C26	121.1°	125.0°
C18	N19	C20	106.2°	109.7°
C18	C26	H261	106.4°	109.5°
C18	C26	H262	126.0°	109.5°
C18	C26	H263	106.4°	109.5°
N19	C20	C21	111.8°	106.8°
N19	C20	C25	130.1°	134.5°
C21	C20	C25	118.1°	118.7°
C20	C21	C22	120.7°	118.6°
C20	C25	N24	122.3°	120.3°
C20	C25	H25	120.6°	119.8°
C21	C22	C23	115.6°	118.8°
C21	C22	H22	122.8°	120.6°
C23	C22	H22	121.6°	120.6°
C22	C23	N24	124.9°	121.2°
C22	C23	H23	119.3°	119.4°
N24	C23	H23	115.9°	119.4°
C23	N24	C25	118.5°	122.4°
N24	C25	H25	117.2°	119.9°
H261	C26	H262	106.4°	109.5°
H261	C26	H263	103.1°	109.4°
H262	C26	H263	106.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	N3	O27	179.8°	179.9°
S1	C2	N3	C4	0.4°	0.3°
S1	C2	N3	C10	179.5°	179.9°
C2	S1	C5	C4	0.3°	0.2°
C2	S1	C5	C6	179.7°	180.0°
C5	S1	C2	N3	0.0°	0.0°
C5	S1	C2	O27	179.9°	180.0°
S1	C5	C4	N3	0.6°	0.4°
S1	C5	C4	C6	179.4°	179.8°
S1	C5	C4	C9	179.5°	179.7°
S1	C5	C6	C7	179.9°	180.0°
S1	C5	C6	H6	0.1°	0.1°
C2	N3	C4	C10	179.0°	179.6°
C2	N3	C4	C5	0.7°	0.6°
C2	N3	C4	C9	179.5°	179.7°
C2	N3	C10	C11	89.6°	90.1°
C2	N3	C10	H101	145.2°	29.9°
C2	N3	C10	H102	35.7°	149.9°
O27	C2	N3	C4	179.8°	179.7°
O27	C2	N3	C10	0.7°	0.1°
N3	C4	C5	C9	178.9°	179.3°
N3	C4	C5	C6	180.0°	179.8°
N3	C4	C9	C8	179.6°	179.7°
N3	C4	C9	H9	0.4°	0.6°
C4	N3	C10	C11	91.5°	90.3°
C4	N3	C10	H101	33.8°	149.7°
C4	N3	C10	H102	143.2°	29.7°
C10	N3	C4	C5	179.7°	179.9°
C10	N3	C4	C9	1.5°	0.7°
N3	C10	C11	H101	125.2°	120.0°
N3	C10	C11	H102	125.3°	120.0°
N3	C10	H101	H102	114.7°	120.0°
N3	C10	C11	C12	95.6°	90.0°
N3	C10	C11	C16	85.2°	89.9°
C4	C5	C6	C7	0.8°	0.3°
C4	C5	C6	H6	179.2°	179.8°
C5	C4	C9	C8	0.8°	0.5°
C5	C4	C9	H9	179.2°	179.7°
C9	C4	C5	C6	1.0°	0.5°
C4	C9	C8	C7	0.4°	0.3°
C4	C9	C8	H9	180.0°	179.8°
C4	C9	C8	H8	179.6°	179.8°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.4°	0.1°
C5	C6	C7	H7	179.6°	180.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.2°	0.1°
C6	C7	C8	H8	179.8°	180.0°
H6	C6	C7	C8	179.6°	180.0°
H6	C6	C7	H7	0.4°	0.1°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	H9	179.6°	179.9°
H7	C7	C8	C9	179.8°	180.0°
H7	C7	C8	H8	0.2°	0.1°
H8	C8	C9	H9	0.4°	0.0°
C11	C10	H101	H102	114.7°	120.0°
C10	C11	C12	C16	179.2°	179.9°
C10	C11	C12	C13	179.2°	180.0°
C10	C11	C12	H12	0.8°	0.1°
C10	C11	C16	C15	179.4°	179.8°
C10	C11	C16	H16	0.6°	0.1°
H101	C10	C11	C12	139.2°	150.1°
H101	C10	C11	C16	40.0°	30.0°
H102	C10	C11	C12	29.7°	30.0°
H102	C10	C11	C16	149.5°	150.1°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	C14	0.1°	0.0°
C11	C12	C13	H13	179.9°	179.9°
C12	C11	C16	C15	0.2°	0.1°
C12	C11	C16	H16	179.9°	180.0°
C16	C11	C12	C13	0.0°	0.1°
C16	C11	C12	H12	180.0°	180.0°
C11	C16	C15	C14	0.2°	0.4°
C11	C16	C15	H16	180.0°	179.9°
C11	C16	C15	H15	179.8°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.2°
C12	C13	C14	N17	179.8°	180.0°
H12	C12	C13	C14	179.9°	180.0°
H12	C12	C13	H13	0.1°	0.0°
C13	C14	C15	N17	179.8°	179.8°
C13	C14	C15	C16	0.1°	0.4°
C13	C14	C15	H15	180.0°	180.0°
C13	C14	N17	C18	179.3°	60.2°
C13	C14	N17	C21	0.4°	120.0°
H13	C13	C14	C15	179.9°	179.8°
H13	C13	C14	N17	0.2°	0.0°
C14	C15	C16	H15	180.0°	179.6°
C14	C15	C16	H16	179.8°	179.7°
C15	C14	N17	C18	0.9°	119.6°
C15	C14	N17	C21	179.3°	60.2°
N17	C14	C15	C16	179.7°	179.8°
N17	C14	C15	H15	0.3°	0.2°
C14	N17	C18	C21	179.8°	179.8°
C14	N17	C18	N19	179.8°	179.7°
C14	N17	C18	C26	0.1°	0.0°
C14	N17	C21	C20	179.8°	179.7°
C14	N17	C21	C22	0.4°	0.1°
H15	C15	C16	H16	0.1°	0.1°
N17	C18	N19	C26	179.7°	179.7°
N17	C18	N19	C20	0.0°	0.3°
C18	N17	C21	C20	0.0°	0.5°
C18	N17	C21	C22	179.8°	179.9°
N17	C18	C26	H261	54.7°	90.3°
N17	C18	C26	H262	180.0°	29.7°
N17	C18	C26	H263	54.7°	149.7°
C21	N17	C18	N19	0.0°	0.5°
C21	N17	C18	C26	179.7°	179.8°
N17	C21	C20	N19	0.0°	0.3°
N17	C21	C20	C22	179.8°	179.7°
N17	C21	C20	C25	179.5°	179.8°
N17	C21	C22	C23	179.6°	179.6°
N17	C21	C22	H22	0.4°	0.4°
C18	N19	C20	C21	0.0°	0.0°
C18	N19	C20	C25	179.4°	179.9°
N19	C18	C26	H261	124.9°	90.0°
N19	C18	C26	H262	0.3°	150.0°
N19	C18	C26	H263	125.7°	30.0°
C26	C18	N19	C20	179.7°	180.0°
C18	C26	H261	H262	136.4°	120.0°
C18	C26	H261	H263	111.8°	120.0°
C18	C26	H262	H263	125.3°	120.0°
N19	C20	C21	C25	179.5°	179.9°
N19	C20	C21	C22	179.9°	180.0°
N19	C20	C25	N24	179.8°	179.9°
N19	C20	C25	H25	0.2°	0.0°
C20	C21	C22	C23	0.6°	0.1°
C20	C21	C22	H22	179.4°	180.0°
C21	C20	C25	N24	0.5°	0.0°
C21	C20	C25	H25	179.5°	179.9°
C25	C20	C21	C22	0.7°	0.1°
C20	C25	N24	C23	0.1°	0.0°
C20	C25	N24	H25	180.0°	180.0°
C21	C22	C23	H22	180.0°	179.9°
C21	C22	C23	N24	0.3°	0.0°
C21	C22	C23	H23	179.7°	180.0°
C22	C23	N24	H23	180.0°	180.0°
C22	C23	N24	C25	0.1°	0.0°
H22	C22	C23	N24	179.7°	180.0°
H22	C22	C23	H23	0.3°	0.0°
C23	N24	C25	H25	179.8°	180.0°
H23	C23	N24	C25	179.9°	180.0°
H261	C26	H262	H263	109.4°	120.0°

Definition date:	2004-06-29
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	1TV6