DC8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.39Å	1.42Å	Aromatic
C4	O5	sing	1.36Å	1.37Å
C4	C17	doub	1.38Å	1.42Å	Aromatic
C6	O5	sing	1.43Å	1.44Å
C6	C19	sing	1.51Å	1.53Å
C6	C8	sing	1.53Å	1.57Å
C6	H6	sing	1.09Å	1.10Å
C8	C15	sing	1.54Å	1.56Å
C8	C10	sing	1.54Å	1.54Å
C8	H8	sing	1.09Å	1.10Å
C10	C11	sing	1.54Å	1.53Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C15	C17	sing	1.51Å	1.54Å
C15	C14	sing	1.55Å	1.58Å
C15	H15	sing	1.09Å	1.10Å
C17	C18	sing	1.39Å	1.42Å	Aromatic
C20	C19	doub	1.38Å	1.41Å	Aromatic
C20	C21	sing	1.38Å	1.40Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	C22	doub	1.39Å	1.41Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C24	sing	1.39Å	1.41Å	Aromatic
C22	O23	sing	1.36Å	1.34Å
C24	C25	doub	1.38Å	1.40Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C1	C2	sing	1.39Å	1.41Å	Aromatic
C1	O26	sing	1.36Å	1.36Å
C1	C18	doub	1.38Å	1.42Å	Aromatic
C2	C3	doub	1.38Å	1.40Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C11	C14	sing	1.54Å	1.55Å
C11	F13	sing	1.40Å	1.39Å
C11	F12	sing	1.40Å	1.39Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C18	H18	sing	1.08Å	1.08Å
C19	C25	sing	1.38Å	1.41Å	Aromatic
O23	HO23	sing	0.97Å	0.95Å
C25	H25	sing	1.08Å	1.08Å
O26	HO26	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	O5	116.4°	118.5°
C3	C4	C17	120.0°	120.1°
C4	C3	C2	120.5°	120.2°
C4	C3	H3	119.8°	119.9°
O5	C4	C17	123.6°	121.5°
C4	O5	C6	113.7°	117.1°
C4	C17	C15	121.5°	122.2°
C4	C17	C18	119.2°	119.6°
O5	C6	C19	109.5°	109.5°
O5	C6	C8	111.9°	109.3°
O5	C6	H6	108.7°	109.5°
C19	C6	C8	111.9°	109.5°
C19	C6	H6	108.7°	109.5°
C6	C19	C20	120.1°	119.9°
C6	C19	C25	120.1°	120.0°
C8	C6	H6	106.0°	109.6°
C6	C8	C15	110.4°	110.1°
C6	C8	C10	113.2°	110.3°
C6	C8	H8	105.2°	110.3°
C15	C8	C10	105.8°	104.7°
C15	C8	H8	112.6°	110.3°
C8	C15	C17	111.7°	110.8°
C8	C15	C14	103.9°	102.9°
C8	C15	H15	112.0°	111.4°
C10	C8	H8	109.8°	110.9°
C8	C10	C11	103.9°	106.6°
C8	C10	H101	111.4°	110.1°
C8	C10	H102	112.6°	110.0°
C11	C10	H101	111.4°	110.1°
C11	C10	H102	112.6°	110.0°
C10	C11	C14	106.8°	106.6°
C10	C11	F13	110.5°	110.1°
C10	C11	F12	109.7°	110.0°
H101	C10	H102	105.3°	110.1°
C17	C15	C14	110.3°	108.1°
C17	C15	H15	105.7°	111.1°
C15	C17	C18	119.3°	118.2°
C14	C15	H15	113.4°	112.1°
C15	C14	C11	107.1°	104.3°
C15	C14	H141	110.2°	110.4°
C15	C14	H142	110.8°	110.5°
C17	C18	C1	120.1°	120.4°
C17	C18	H18	120.0°	119.8°
C19	C20	C21	120.3°	120.1°
C19	C20	H20	119.9°	119.9°
C20	C19	C25	119.9°	120.1°
C21	C20	H20	119.8°	120.0°
C20	C21	C22	119.8°	119.9°
C20	C21	H21	120.1°	120.0°
C22	C21	H21	120.1°	120.1°
C21	C22	C24	120.2°	119.9°
C21	C22	O23	119.7°	120.0°
C24	C22	O23	120.1°	120.1°
C22	C24	C25	120.0°	119.9°
C22	C24	H24	120.0°	120.0°
C22	O23	HO23	109.5°	113.9°
C25	C24	H24	120.0°	120.0°
C24	C25	C19	119.8°	120.0°
C24	C25	H25	120.0°	120.0°
C2	C1	O26	119.4°	120.1°
C2	C1	C18	120.0°	119.9°
C1	C2	C3	120.2°	119.8°
C1	C2	H2	119.9°	120.1°
O26	C1	C18	120.6°	120.0°
C1	O26	HO26	109.5°	114.0°
C1	C18	H18	119.9°	119.8°
C3	C2	H2	119.9°	120.1°
C2	C3	H3	119.7°	119.9°
C14	C11	F13	109.7°	110.1°
C14	C11	F12	110.8°	109.9°
C11	C14	H141	110.3°	110.3°
C11	C14	H142	110.8°	110.7°
F13	C11	F12	109.4°	110.1°
H141	C14	H142	107.7°	110.5°
C19	C25	H25	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	O5	C17	179.4°	179.7°
C3	C4	O5	C6	154.1°	158.0°
C3	C4	C17	C15	179.7°	179.9°
C3	C4	C17	C18	0.2°	0.1°
C4	C3	C2	C1	0.3°	0.4°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	H2	179.7°	179.6°
C4	O5	C6	C19	179.8°	172.3°
C4	O5	C6	C8	55.1°	52.5°
C4	O5	C6	H6	61.6°	67.6°
O5	C4	C17	C15	0.9°	0.4°
O5	C4	C17	C18	179.6°	179.7°
O5	C4	C3	C2	179.7°	179.9°
O5	C4	C3	H3	0.3°	0.0°
C17	C4	O5	C6	26.5°	22.3°
C4	C17	C15	C8	5.3°	10.9°
C4	C17	C15	C18	179.4°	179.9°
C4	C17	C15	C14	120.3°	123.0°
C4	C17	C15	H15	116.8°	113.5°
C4	C17	C18	C1	0.4°	0.1°
C17	C4	C3	C2	0.2°	0.1°
C17	C4	C3	H3	179.8°	179.7°
C4	C17	C18	H18	179.6°	179.9°
O5	C6	C19	C8	124.7°	119.8°
O5	C6	C19	H6	118.6°	120.1°
O5	C6	C8	H6	118.3°	120.0°
O5	C6	C8	C15	58.3°	61.0°
O5	C6	C8	C10	60.1°	54.1°
O5	C6	C8	H8	179.9°	177.0°
O5	C6	C19	C20	3.1°	140.0°
O5	C6	C19	C25	176.7°	40.0°
C19	C6	C8	H6	118.4°	120.1°
C19	C6	C8	C15	178.3°	179.1°
C19	C6	C8	C10	63.2°	65.8°
C19	C6	C8	H8	56.6°	57.1°
C6	C19	C20	C25	179.8°	180.0°
C6	C19	C20	C21	179.7°	180.0°
C6	C19	C20	H20	0.3°	0.3°
C6	C19	C25	C24	179.8°	180.0°
C6	C19	C25	H25	0.2°	0.0°
C6	C8	C15	C10	122.9°	118.6°
C6	C8	C15	H8	117.2°	122.0°
C6	C8	C10	H8	117.2°	122.5°
C6	C8	C10	C11	157.4°	140.8°
C6	C8	C10	H101	82.7°	99.8°
C6	C8	C10	H102	35.3°	21.6°
C6	C8	C15	C17	31.9°	39.9°
C6	C8	C15	C14	150.8°	155.3°
C6	C8	C15	H15	86.5°	84.3°
C8	C6	C19	C20	121.6°	100.2°
C8	C6	C19	C25	58.6°	79.8°
H6	C6	C8	C15	60.0°	58.9°
H6	C6	C8	C10	178.4°	174.1°
H6	C6	C8	H8	61.7°	63.0°
H6	C6	C19	C20	121.6°	19.9°
H6	C6	C19	C25	58.1°	160.1°
C15	C8	C10	H8	121.8°	119.0°
C15	C8	C10	C11	36.3°	22.4°
C15	C8	C10	H101	156.2°	141.7°
C15	C8	C10	H102	85.8°	96.8°
C8	C15	C17	C14	115.0°	112.1°
C8	C15	C17	H15	122.1°	124.4°
C8	C15	C14	H15	121.8°	119.8°
C8	C15	C17	C18	175.3°	169.2°
C8	C15	C14	C11	9.2°	37.2°
C8	C15	C14	H141	129.2°	155.7°
C8	C15	C14	H142	111.7°	81.7°
C8	C10	C11	H101	120.0°	119.3°
C8	C10	C11	H102	122.1°	119.2°
C8	C10	H101	H102	122.3°	121.4°
C10	C8	C15	C17	91.0°	78.7°
C10	C8	C15	C14	27.9°	36.7°
C10	C8	C15	H15	150.6°	157.1°
C8	C10	C11	C14	30.1°	0.9°
C8	C10	C11	F13	149.4°	118.5°
C8	C10	C11	F12	90.0°	120.0°
H8	C8	C10	C11	85.5°	96.6°
H8	C8	C10	H101	34.5°	22.7°
H8	C8	C10	H102	152.4°	144.2°
H8	C8	C15	C17	149.1°	161.9°
H8	C8	C15	C14	92.0°	82.7°
H8	C8	C15	H15	30.7°	37.6°
C11	C10	H101	H102	122.3°	121.4°
C10	C11	C14	C15	12.9°	23.6°
C10	C11	C14	F13	119.7°	119.4°
C10	C11	C14	F12	119.4°	119.2°
C10	C11	F13	F12	120.8°	121.5°
C10	C11	C14	H141	107.1°	142.2°
C10	C11	C14	H142	133.8°	95.2°
H101	C10	C11	C14	150.1°	118.4°
H101	C10	C11	F13	90.7°	122.2°
H101	C10	C11	F12	30.0°	0.7°
H102	C10	C11	C14	91.9°	120.1°
H102	C10	C11	F13	27.3°	0.7°
H102	C10	C11	F12	147.9°	120.8°
C17	C15	C14	H15	118.4°	122.9°
C15	C17	C18	C1	179.8°	179.9°
C17	C15	C14	C11	110.6°	80.1°
C17	C15	C14	H141	9.4°	38.4°
C17	C15	C14	H142	128.5°	161.0°
C15	C17	C18	H18	0.2°	0.1°
C14	C15	C17	C18	60.3°	57.1°
C15	C14	C11	H141	120.0°	118.6°
C15	C14	C11	H142	120.9°	118.8°
C15	C14	C11	F13	132.6°	95.8°
C15	C14	C11	F12	106.5°	142.8°
C15	C14	H141	H142	120.9°	122.5°
H15	C15	C17	C18	62.7°	66.4°
H15	C15	C14	C11	131.0°	157.0°
H15	C15	C14	H141	109.0°	84.5°
H15	C15	C14	H142	10.1°	38.1°
C17	C18	C1	C2	0.5°	0.2°
C17	C18	C1	O26	179.7°	179.8°
C17	C18	C1	H18	180.0°	180.0°
C19	C20	C21	H20	180.0°	179.7°
C19	C20	C21	C22	0.3°	0.0°
C19	C20	C21	H21	179.7°	180.0°
C20	C19	C25	C24	0.0°	0.0°
C20	C19	C25	H25	180.0°	180.0°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C24	0.4°	0.0°
C20	C21	C22	O23	179.7°	180.0°
C21	C20	C19	C25	0.1°	0.0°
H20	C20	C21	C22	179.7°	179.7°
H20	C20	C21	H21	0.3°	0.3°
H20	C20	C19	C25	179.9°	179.7°
C21	C22	C24	O23	180.0°	179.9°
C21	C22	C24	C25	0.2°	0.0°
C21	C22	C24	H24	179.8°	180.0°
C21	C22	O23	HO23	103.8°	90.1°
H21	C21	C22	C24	179.6°	180.0°
H21	C21	C22	O23	0.4°	0.0°
C22	C24	C25	H24	180.0°	180.0°
C22	C24	C25	C19	0.0°	0.0°
C24	C22	O23	HO23	76.3°	90.0°
C22	C24	C25	H25	179.9°	180.0°
O23	C22	C24	C25	179.8°	180.0°
O23	C22	C24	H24	0.2°	0.0°
C24	C25	C19	H25	180.0°	180.0°
H24	C24	C25	C19	180.0°	180.0°
H24	C24	C25	H25	0.1°	0.0°
C2	C1	O26	C18	179.8°	179.7°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	H3	179.7°	179.5°
C2	C1	C18	H18	179.5°	179.8°
C2	C1	O26	HO26	46.4°	89.9°
O26	C1	C2	C3	179.7°	179.9°
O26	C1	C2	H2	0.3°	0.1°
O26	C1	C18	H18	0.3°	0.2°
C18	C1	C2	C3	0.4°	0.4°
C18	C1	C2	H2	179.6°	179.6°
C18	C1	O26	HO26	133.4°	89.7°
H2	C2	C3	H3	0.3°	0.5°
C14	C11	F13	F12	121.8°	121.3°
C11	C14	H141	H142	121.0°	122.7°
F13	C11	C14	H141	12.6°	22.8°
F13	C11	C14	H142	106.5°	145.4°
F12	C11	C14	H141	133.5°	98.6°
F12	C11	C14	H142	14.4°	24.0°

Definition date:	2007-07-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB