TTA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
AS	C1	sing	0.00Å	1.92Å
AS	C7	sing	0.00Å	1.88Å
AS	C13	sing	0.00Å	1.89Å
AS	C19	sing	0.00Å	1.92Å
C1	C2	doub	0.00Å	1.40Å	Aromatic
C1	C6	sing	0.00Å	1.44Å	Aromatic
C2	C3	sing	0.00Å	1.40Å	Aromatic
C2	HC2	sing	0.00Å	1.10Å
C3	C4	doub	0.00Å	1.37Å	Aromatic
C3	HC3	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.41Å	Aromatic
C4	HC4	sing	0.00Å	1.10Å
C5	C6	doub	0.00Å	1.45Å	Aromatic
C5	HC5	sing	0.00Å	1.10Å
C6	HC6	sing	0.00Å	1.10Å
C7	C8	doub	0.00Å	1.44Å	Aromatic
C7	C12	sing	0.00Å	1.45Å	Aromatic
C8	C9	sing	0.00Å	1.39Å	Aromatic
C8	HC8	sing	0.00Å	1.10Å
C9	C10	doub	0.00Å	1.44Å	Aromatic
C9	HC9	sing	0.00Å	1.10Å
C10	C11	sing	0.00Å	1.45Å	Aromatic
C10	H10	sing	0.00Å	1.10Å
C11	C12	doub	0.00Å	1.39Å	Aromatic
C11	H11	sing	0.00Å	1.10Å
C12	H12	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.47Å	Aromatic
C13	C18	sing	0.00Å	1.47Å	Aromatic
C14	C15	sing	0.00Å	1.48Å	Aromatic
C14	H14	sing	0.00Å	1.10Å
C15	C16	doub	0.00Å	1.45Å	Aromatic
C15	H15	sing	0.00Å	1.10Å
C16	C17	sing	0.00Å	1.42Å	Aromatic
C16	H16	sing	0.00Å	1.10Å
C17	C18	doub	0.00Å	1.42Å	Aromatic
C17	H17	sing	0.00Å	1.10Å
C18	H18	sing	0.00Å	1.10Å
C19	C20	doub	0.00Å	1.41Å	Aromatic
C19	C24	sing	0.00Å	1.40Å	Aromatic
C20	C21	sing	0.00Å	1.43Å	Aromatic
C20	H20	sing	0.00Å	1.10Å
C21	C22	doub	0.00Å	1.34Å	Aromatic
C21	H21	sing	0.00Å	1.10Å
C22	C23	sing	0.00Å	1.44Å	Aromatic
C22	H22	sing	0.00Å	1.10Å
C23	C24	doub	0.00Å	1.48Å	Aromatic
C23	H23	sing	0.00Å	1.10Å
C24	H24	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	AS	C7	107.0°	90.0°
C1	AS	C13	102.9°	90.0°
C1	AS	C19	114.0°	90.0°
AS	C1	C2	124.8°	90.0°
AS	C1	C6	111.4°	90.0°
C7	AS	C13	121.4°	90.0°
C7	AS	C19	105.6°	90.0°
AS	C7	C8	125.2°	90.0°
AS	C7	C12	113.5°	90.0°
C13	AS	C19	106.3°	90.0°
AS	C13	C14	119.9°	90.0°
AS	C13	C18	118.1°	90.0°
AS	C19	C20	117.4°	90.0°
AS	C19	C24	115.9°	90.0°
C2	C1	C6	123.7°	90.0°
C1	C2	C3	118.4°	90.0°
C1	C2	HC2	120.7°	90.0°
C1	C6	C5	115.4°	90.0°
C1	C6	HC6	122.0°	90.0°
C3	C2	HC2	120.9°	90.0°
C2	C3	C4	120.2°	90.0°
C2	C3	HC3	121.1°	90.0°
C4	C3	HC3	118.7°	90.0°
C3	C4	C5	122.9°	90.0°
C3	C4	HC4	117.0°	90.0°
C5	C4	HC4	120.1°	90.0°
C4	C5	C6	119.4°	90.0°
C4	C5	HC5	118.9°	90.0°
C6	C5	HC5	121.7°	90.0°
C5	C6	HC6	122.6°	90.0°
C8	C7	C12	121.2°	90.0°
C7	C8	C9	121.1°	90.0°
C7	C8	HC8	121.2°	90.0°
C7	C12	C11	117.7°	90.0°
C7	C12	H12	123.1°	90.0°
C9	C8	HC8	117.7°	90.0°
C8	C9	C10	118.2°	90.0°
C8	C9	HC9	119.4°	90.0°
C10	C9	HC9	122.4°	90.0°
C9	C10	C11	120.6°	90.0°
C9	C10	H10	119.0°	90.0°
C11	C10	H10	120.3°	90.0°
C10	C11	C12	121.2°	90.0°
C10	C11	H11	121.8°	90.0°
C12	C11	H11	117.0°	90.0°
C11	C12	H12	119.2°	90.0°
C14	C13	C18	120.2°	90.0°
C13	C14	C15	116.8°	90.0°
C13	C14	H14	121.4°	90.0°
C13	C18	C17	121.5°	90.0°
C13	C18	H18	121.2°	90.0°
C15	C14	H14	121.8°	90.0°
C14	C15	C16	119.2°	90.0°
C14	C15	H15	121.4°	90.0°
C16	C15	H15	119.4°	90.0°
C15	C16	C17	124.0°	90.0°
C15	C16	H16	119.2°	90.0°
C17	C16	H16	116.8°	90.0°
C16	C17	C18	117.8°	90.0°
C16	C17	H17	121.1°	90.0°
C18	C17	H17	121.1°	90.0°
C17	C18	H18	117.3°	90.0°
C20	C19	C24	126.8°	90.0°
C19	C20	C21	114.8°	90.0°
C19	C20	H20	122.2°	90.0°
C19	C24	C23	117.0°	90.0°
C19	C24	H24	118.7°	90.0°
C21	C20	H20	123.0°	90.0°
C20	C21	C22	121.5°	90.0°
C20	C21	H21	122.3°	90.0°
C22	C21	H21	116.2°	90.0°
C21	C22	C23	125.1°	90.0°
C21	C22	H22	113.4°	90.0°
C23	C22	H22	121.4°	90.0°
C22	C23	C24	114.8°	90.0°
C22	C23	H23	121.4°	90.0°
C24	C23	H23	123.8°	90.0°
C23	C24	H24	124.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	AS	C7	C13	117.4°	90.0°
C1	AS	C7	C19	121.8°	90.0°
C1	AS	C13	C19	120.1°	90.0°
AS	C1	C2	C6	176.1°	90.0°
AS	C1	C2	C3	178.6°	90.0°
AS	C1	C2	HC2	1.3°	90.0°
AS	C1	C6	C5	178.9°	90.0°
AS	C1	C6	HC6	1.1°	90.0°
C1	AS	C7	C8	148.0°	90.0°
C1	AS	C7	C12	29.0°	90.0°
C1	AS	C13	C14	167.2°	90.0°
C1	AS	C13	C18	2.4°	90.0°
C1	AS	C19	C20	100.6°	90.0°
C1	AS	C19	C24	80.8°	90.0°
C7	AS	C13	C19	120.4°	90.0°
C7	AS	C1	C2	109.7°	90.0°
C7	AS	C1	C6	66.9°	90.0°
AS	C7	C8	C12	176.7°	90.0°
AS	C7	C8	C9	178.8°	90.0°
AS	C7	C8	HC8	1.2°	90.0°
AS	C7	C12	C11	178.9°	90.0°
AS	C7	C12	H12	1.1°	90.0°
C7	AS	C13	C14	73.3°	90.0°
C7	AS	C13	C18	121.9°	90.0°
C7	AS	C19	C20	16.6°	90.0°
C7	AS	C19	C24	162.0°	90.0°
C13	AS	C1	C2	121.3°	90.0°
C13	AS	C1	C6	62.2°	90.0°
C13	AS	C7	C8	94.6°	90.0°
C13	AS	C7	C12	88.4°	90.0°
AS	C13	C14	C18	164.5°	90.0°
AS	C13	C14	C15	173.1°	90.0°
AS	C13	C14	H14	6.9°	90.0°
AS	C13	C18	C17	174.0°	90.0°
AS	C13	C18	H18	6.0°	90.0°
C13	AS	C19	C20	146.8°	90.0°
C13	AS	C19	C24	31.8°	90.0°
C19	AS	C1	C2	6.6°	90.0°
C19	AS	C1	C6	176.8°	90.0°
C19	AS	C7	C8	26.2°	90.0°
C19	AS	C7	C12	150.8°	90.0°
C19	AS	C13	C14	47.1°	90.0°
C19	AS	C13	C18	117.7°	90.0°
AS	C19	C20	C24	178.4°	90.0°
AS	C19	C20	C21	179.5°	90.0°
AS	C19	C20	H20	0.5°	90.0°
AS	C19	C24	C23	179.4°	90.0°
AS	C19	C24	H24	0.6°	90.0°
C1	C2	C3	HC2	179.9°	90.0°
C1	C2	C3	C4	1.8°	90.0°
C1	C2	C3	HC3	178.3°	90.0°
C2	C1	C6	C5	2.3°	90.0°
C2	C1	C6	HC6	177.6°	90.0°
C6	C1	C2	C3	2.5°	90.0°
C6	C1	C2	HC2	177.4°	90.0°
C1	C6	C5	C4	1.4°	90.0°
C1	C6	C5	HC6	180.0°	90.0°
C1	C6	C5	HC5	178.7°	90.0°
C2	C3	C4	HC3	180.0°	90.0°
C2	C3	C4	C5	1.0°	90.0°
C2	C3	C4	HC4	179.0°	90.0°
HC2	C2	C3	C4	178.2°	90.0°
HC2	C2	C3	HC3	1.8°	90.0°
C3	C4	C5	HC4	180.0°	90.0°
C3	C4	C5	C6	0.8°	90.0°
C3	C4	C5	HC5	179.2°	90.0°
HC3	C3	C4	C5	179.1°	90.0°
HC3	C3	C4	HC4	0.9°	90.0°
C4	C5	C6	HC5	180.0°	90.0°
C4	C5	C6	HC6	178.6°	90.0°
HC4	C4	C5	C6	179.2°	90.0°
HC4	C4	C5	HC5	0.8°	90.0°
HC5	C5	C6	HC6	1.4°	90.0°
C7	C8	C9	HC8	180.0°	90.0°
C7	C8	C9	C10	1.2°	90.0°
C7	C8	C9	HC9	178.9°	90.0°
C8	C7	C12	C11	1.8°	90.0°
C8	C7	C12	H12	178.2°	90.0°
C12	C7	C8	C9	2.0°	90.0°
C12	C7	C8	HC8	177.9°	90.0°
C7	C12	C11	C10	0.8°	90.0°
C7	C12	C11	H12	180.0°	90.0°
C7	C12	C11	H11	179.3°	90.0°
C8	C9	C10	HC9	180.0°	90.0°
C8	C9	C10	C11	0.1°	90.0°
C8	C9	C10	H10	179.9°	90.0°
HC8	C8	C9	C10	178.8°	90.0°
HC8	C8	C9	HC9	1.1°	90.0°
C9	C10	C11	H10	180.0°	90.0°
C9	C10	C11	C12	0.1°	90.0°
C9	C10	C11	H11	179.9°	90.0°
HC9	C9	C10	C11	179.9°	90.0°
HC9	C9	C10	H10	0.1°	90.0°
C10	C11	C12	H11	180.0°	90.0°
C10	C11	C12	H12	179.2°	90.0°
H10	C10	C11	C12	180.0°	90.0°
H10	C10	C11	H11	0.1°	90.0°
H11	C11	C12	H12	0.8°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C16	3.6°	90.0°
C13	C14	C15	H15	176.4°	90.0°
C14	C13	C18	C17	9.2°	90.0°
C14	C13	C18	H18	170.8°	90.0°
C18	C13	C14	C15	8.6°	90.0°
C18	C13	C14	H14	171.4°	90.0°
C13	C18	C17	C16	4.2°	90.0°
C13	C18	C17	H18	180.0°	90.0°
C13	C18	C17	H17	175.8°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	C17	1.2°	90.0°
C14	C15	C16	H16	178.8°	90.0°
H14	C14	C15	C16	176.4°	90.0°
H14	C14	C15	H15	3.6°	90.0°
C15	C16	C17	H16	180.0°	90.0°
C15	C16	C17	C18	1.0°	90.0°
C15	C16	C17	H17	179.0°	90.0°
H15	C15	C16	C17	178.8°	90.0°
H15	C15	C16	H16	1.2°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	H18	175.8°	90.0°
H16	C16	C17	C18	179.0°	90.0°
H16	C16	C17	H17	1.0°	90.0°
H17	C17	C18	H18	4.2°	90.0°
C19	C20	C21	H20	180.0°	90.0°
C19	C20	C21	C22	0.4°	90.0°
C19	C20	C21	H21	179.6°	90.0°
C20	C19	C24	C23	1.0°	90.0°
C20	C19	C24	H24	179.0°	90.0°
C24	C19	C20	C21	1.1°	90.0°
C24	C19	C20	H20	178.9°	90.0°
C19	C24	C23	C22	0.2°	90.0°
C19	C24	C23	H24	180.0°	90.0°
C19	C24	C23	H23	179.8°	90.0°
C20	C21	C22	H21	180.0°	90.0°
C20	C21	C22	C23	0.4°	90.0°
C20	C21	C22	H22	179.7°	90.0°
H20	C20	C21	C22	179.7°	90.0°
H20	C20	C21	H21	0.4°	90.0°
C21	C22	C23	H22	180.0°	90.0°
C21	C22	C23	C24	0.4°	90.0°
C21	C22	C23	H23	179.6°	90.0°
H21	C21	C22	C23	179.7°	90.0°
H21	C21	C22	H22	0.3°	90.0°
C22	C23	C24	H23	180.0°	90.0°
C22	C23	C24	H24	179.8°	90.0°
H22	C22	C23	C24	179.6°	90.0°
H22	C22	C23	H23	0.4°	90.0°
H23	C23	C24	H24	0.2°	90.0°

Definition date:	2001-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	1HYV