Obsolete: TIB

TIB was replaced with TB9 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.46Å	1.46Å
N1	C11	sing	1.33Å	1.42Å	Aromatic
N1	C12	sing	1.43Å	1.43Å	Aromatic
C2	C3	sing	1.50Å	1.55Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	N4	sing	1.43Å	1.47Å
C3	C14	sing	1.53Å	1.55Å
C3	H3	sing	1.09Å	1.10Å
N4	C5	sing	1.45Å	1.49Å
N4	C15	sing	1.47Å	1.48Å
C5	C13	sing	1.51Å	1.52Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	doub	1.38Å	1.40Å	Aromatic
C6	C13	sing	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.09Å
C7	CL7	sing	1.74Å	1.76Å
C7	C8	sing	1.38Å	1.41Å	Aromatic
C8	C9	doub	1.39Å	1.38Å	Aromatic
C8	H8	sing	1.08Å	1.09Å
C9	N10	sing	1.39Å	1.41Å	Aromatic
C9	C12	sing	1.40Å	1.40Å	Aromatic
N10	C11	sing	1.35Å	1.41Å	Aromatic
N10	H10	sing	0.97Å	1.00Å
C11	S11	doub	1.71Å	1.61Å
C12	C13	doub	1.36Å	1.40Å	Aromatic
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C14	H143	sing	1.09Å	1.10Å
C15	C16	sing	1.51Å	1.54Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	C17	doub	1.31Å	1.34Å
C16	H16	sing	1.08Å	1.09Å
C17	C18	sing	1.51Å	1.51Å
C17	C19	sing	1.51Å	1.51Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C11	121.2°	131.5°
C2	N1	C12	133.7°	119.9°
N1	C2	C3	117.0°	110.8°
N1	C2	H21	108.4°	109.2°
N1	C2	H22	108.6°	109.2°
C11	N1	C12	103.6°	108.3°
N1	C11	N10	111.3°	108.3°
N1	C11	S11	124.3°	125.9°
N1	C12	C9	110.7°	103.8°
N1	C12	C13	128.9°	134.9°
C3	C2	H21	108.9°	109.2°
C3	C2	H22	107.7°	109.2°
C2	C3	N4	113.6°	113.6°
C2	C3	C14	112.2°	108.6°
C2	C3	H3	106.7°	108.7°
H21	C2	H22	105.7°	109.2°
N4	C3	C14	112.8°	108.7°
N4	C3	H3	106.4°	108.7°
C3	N4	C5	115.6°	112.6°
C3	N4	C15	120.1°	106.6°
C14	C3	H3	104.3°	108.6°
C3	C14	H141	110.9°	109.4°
C3	C14	H142	110.1°	109.5°
C3	C14	H143	112.6°	109.4°
C5	N4	C15	120.6°	106.7°
N4	C5	C13	117.1°	112.4°
N4	C5	H51	108.0°	109.0°
N4	C5	H52	108.2°	108.9°
N4	C15	C16	118.1°	109.5°
N4	C15	H151	109.5°	109.5°
N4	C15	H152	109.4°	109.5°
C13	C5	H51	108.6°	108.9°
C13	C5	H52	109.3°	108.9°
C5	C13	C6	117.9°	115.1°
C5	C13	C12	125.0°	126.6°
H51	C5	H52	105.0°	108.7°
C7	C6	C13	123.1°	120.8°
C7	C6	H6	118.7°	119.6°
C6	C7	CL7	120.5°	119.8°
C6	C7	C8	119.0°	120.5°
C13	C6	H6	118.2°	119.6°
C6	C13	C12	117.1°	118.3°
CL7	C7	C8	120.6°	119.7°
C7	C8	C9	118.5°	119.0°
C7	C8	H8	121.7°	120.5°
C9	C8	H8	119.8°	120.5°
C8	C9	N10	130.0°	132.9°
C8	C9	C12	121.8°	119.4°
N10	C9	C12	108.1°	107.6°
C9	N10	C11	106.1°	108.0°
C9	N10	H10	119.1°	126.1°
C9	C12	C13	120.5°	121.1°
C11	N10	H10	130.8°	126.0°
N10	C11	S11	124.3°	125.9°
H141	C14	H142	107.8°	109.5°
H141	C14	H143	107.5°	109.5°
H142	C14	H143	107.8°	109.5°
C16	C15	H151	106.4°	109.4°
C16	C15	H152	108.0°	109.5°
C15	C16	C17	126.0°	120.0°
C15	C16	H16	117.1°	120.0°
H151	C15	H152	104.5°	109.4°
C17	C16	H16	116.7°	120.0°
C16	C17	C18	121.4°	120.1°
C16	C17	C19	124.2°	120.0°
C18	C17	C19	114.4°	119.9°
C17	C18	H181	110.6°	109.6°
C17	C18	H182	112.3°	109.5°
C17	C18	H183	111.2°	109.5°
C17	C19	H191	110.3°	109.5°
C17	C19	H192	110.5°	109.6°
C17	C19	H193	113.1°	109.4°
H181	C18	H182	107.7°	109.5°
H181	C18	H183	107.2°	109.4°
H182	C18	H183	107.6°	109.4°
H191	C19	H192	108.0°	109.4°
H191	C19	H193	107.6°	109.5°
H192	C19	H193	107.2°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C11	C12	168.0°	173.5°
N1	C2	C3	H21	123.3°	120.3°
N1	C2	C3	H22	122.6°	120.3°
N1	C2	H21	H22	116.3°	119.3°
N1	C2	C3	N4	54.4°	80.3°
N1	C2	C3	C14	176.1°	158.7°
N1	C2	C3	H3	62.5°	40.7°
C2	N1	C12	C9	165.6°	157.2°
C2	N1	C11	N10	170.5°	152.6°
C2	N1	C11	S11	8.1°	27.4°
C2	N1	C12	C13	12.8°	27.1°
C11	N1	C2	C3	168.7°	136.1°
C11	N1	C2	H21	67.8°	15.7°
C11	N1	C2	H22	46.6°	103.6°
N1	C11	N10	C9	4.2°	16.1°
C11	N1	C12	C9	0.1°	17.3°
N1	C11	N10	S11	178.7°	179.9°
N1	C11	N10	H10	160.7°	163.9°
C11	N1	C12	C13	178.5°	158.5°
C12	N1	C2	C3	27.5°	51.0°
C12	N1	C2	H21	96.0°	171.3°
C12	N1	C2	H22	149.6°	69.3°
N1	C12	C13	C5	3.8°	4.2°
N1	C12	C13	C6	177.2°	175.6°
N1	C12	C9	C8	175.2°	172.0°
N1	C12	C9	N10	2.7°	7.3°
N1	C12	C9	C13	178.6°	176.5°
C12	N1	C11	N10	2.6°	20.9°
C12	N1	C11	S11	176.1°	159.0°
C3	C2	H21	H22	115.4°	119.4°
C2	C3	N4	C14	129.2°	121.0°
C2	C3	N4	H3	117.1°	121.0°
C2	C3	C14	H3	115.1°	118.0°
C2	C3	N4	C5	83.3°	93.3°
C2	C3	N4	C15	75.5°	150.0°
C2	C3	C14	H141	174.1°	51.6°
C2	C3	C14	H142	54.8°	171.6°
C2	C3	C14	H143	65.5°	68.4°
H21	C2	C3	N4	68.8°	159.4°
H21	C2	C3	C14	60.6°	38.4°
H21	C2	C3	H3	174.2°	79.6°
H22	C2	C3	N4	177.0°	40.0°
H22	C2	C3	C14	53.5°	81.0°
H22	C2	C3	H3	60.1°	161.0°
N4	C3	C14	H3	115.1°	118.0°
C3	N4	C5	C15	158.7°	116.6°
C3	N4	C5	C13	73.6°	68.3°
C3	N4	C5	H51	163.5°	52.5°
C3	N4	C5	H52	50.3°	171.0°
N4	C3	C14	H141	56.1°	175.5°
N4	C3	C14	H142	175.3°	64.4°
N4	C3	C14	H143	64.4°	55.6°
C3	N4	C15	C16	139.2°	175.4°
C3	N4	C15	H151	17.3°	64.7°
C3	N4	C15	H152	96.7°	55.3°
C14	C3	N4	C5	147.6°	145.7°
C14	C3	N4	C15	53.6°	29.0°
C3	C14	H141	H142	120.6°	120.1°
C3	C14	H141	H143	123.5°	119.9°
C3	C14	H142	H143	123.2°	119.9°
H3	C3	N4	C5	33.8°	27.7°
H3	C3	N4	C15	167.4°	89.0°
H3	C3	C14	H141	59.0°	66.4°
H3	C3	C14	H142	60.2°	53.6°
H3	C3	C14	H143	179.5°	173.6°
N4	C5	C13	H51	122.6°	120.9°
N4	C5	C13	H52	123.4°	120.7°
N4	C5	H51	H52	115.2°	118.6°
N4	C5	C13	C6	146.6°	143.3°
N4	C5	C13	C12	34.4°	36.5°
C5	N4	C15	C16	18.5°	54.8°
C5	N4	C15	H151	140.5°	174.8°
C5	N4	C15	H152	105.5°	65.3°
C15	N4	C5	C13	85.1°	175.1°
C15	N4	C5	H51	37.8°	64.1°
C15	N4	C5	H52	150.9°	54.4°
N4	C15	C16	H151	123.5°	120.0°
N4	C15	C16	H152	124.8°	120.1°
N4	C15	H151	H152	117.2°	120.0°
N4	C15	C16	C17	173.2°	128.2°
N4	C15	C16	H16	1.2°	51.7°
C13	C5	H51	H52	116.8°	118.5°
C5	C13	C6	C7	179.6°	178.1°
C5	C13	C6	C12	179.1°	179.8°
C5	C13	C6	H6	0.5°	1.9°
C5	C13	C12	C9	178.0°	171.0°
H51	C5	C13	C6	24.0°	95.8°
H51	C5	C13	C12	157.0°	84.4°
H52	C5	C13	C6	90.1°	22.6°
H52	C5	C13	C12	88.9°	157.2°
C7	C6	C13	H6	179.1°	180.0°
C6	C7	CL7	C8	179.9°	179.9°
C6	C7	C8	C9	0.9°	0.6°
C6	C7	C8	H8	179.3°	179.4°
C7	C6	C13	C12	1.3°	2.0°
C13	C6	C7	CL7	178.7°	177.2°
C13	C6	C7	C8	1.4°	2.9°
C6	C13	C12	C9	1.0°	9.2°
H6	C6	C7	CL7	0.4°	2.7°
H6	C6	C7	C8	179.5°	177.2°
H6	C6	C13	C12	179.6°	177.9°
CL7	C7	C8	C9	179.1°	179.5°
CL7	C7	C8	H8	0.8°	0.5°
C7	C8	C9	H8	179.8°	180.0°
C7	C8	C9	N10	179.4°	174.6°
C7	C8	C9	C12	3.2°	6.4°
C8	C9	N10	C12	177.7°	179.1°
C8	C9	N10	C11	173.5°	176.1°
C8	C9	N10	H10	13.8°	4.0°
C8	C9	C12	C13	3.4°	11.5°
H8	C8	C9	N10	0.5°	5.4°
H8	C8	C9	C12	176.9°	173.6°
C9	N10	C11	H10	156.5°	179.9°
C9	N10	C11	S11	174.4°	163.9°
N10	C9	C12	C13	178.7°	169.2°
C12	C9	N10	C11	4.2°	4.8°
C12	C9	N10	H10	163.9°	175.1°
H10	N10	C11	S11	18.0°	16.2°
H141	C14	H142	H143	115.7°	120.1°
C16	C15	H151	H152	114.1°	120.0°
C15	C16	C17	H16	174.4°	179.9°
C15	C16	C17	C18	172.2°	172.6°
C15	C16	C17	C19	4.5°	7.4°
H151	C15	C16	C17	49.7°	111.8°
H151	C15	C16	H16	124.7°	68.3°
H152	C15	C16	C17	62.0°	8.1°
H152	C15	C16	H16	123.6°	171.8°
C16	C17	C18	C19	177.0°	179.9°
C16	C17	C18	H181	113.9°	180.0°
C16	C17	C18	H182	6.5°	59.9°
C16	C17	C18	H183	127.2°	60.0°
C16	C17	C19	H191	116.2°	5.2°
C16	C17	C19	H192	124.4°	125.3°
C16	C17	C19	H193	4.2°	114.8°
H16	C16	C17	C18	2.2°	7.4°
H16	C16	C17	C19	178.9°	172.7°
C17	C18	H181	H182	123.1°	120.1°
C17	C18	H181	H183	121.4°	120.0°
C17	C18	H182	H183	122.7°	120.0°
C18	C17	C19	H191	60.7°	174.7°
C18	C17	C19	H192	58.7°	54.7°
C18	C17	C19	H193	178.9°	65.3°
C19	C17	C18	H181	63.1°	0.1°
C19	C17	C18	H182	176.5°	120.0°
C19	C17	C18	H183	55.8°	120.0°
C17	C19	H191	H192	120.9°	120.1°
C17	C19	H191	H193	123.7°	120.0°
C17	C19	H192	H193	123.7°	120.0°
H181	C18	H182	H183	115.2°	119.9°
H191	C19	H192	H193	115.7°	120.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	TB9
Derived from:	1RVQ