CTL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	C6	sing	1.51Å	1.53Å
C1	O11	sing	1.43Å	1.43Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	N12	sing	1.47Å	1.47Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.51Å	1.53Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C10	doub	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.38Å	1.39Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C6	C7	doub	1.39Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
O11	H11	sing	0.97Å	0.95Å
N12	H121	sing	1.01Å	1.00Å
N12	H122	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	111.1°	110.6°
C2	C1	O11	109.2°	109.2°
C2	C1	H1	108.2°	109.3°
C1	C2	C3	110.2°	108.4°
C1	C2	N12	109.2°	109.7°
C1	C2	H2	109.4°	109.7°
C6	C1	O11	108.6°	109.2°
C6	C1	H1	108.9°	109.2°
C1	C6	C5	122.1°	122.6°
C1	C6	C7	118.3°	117.7°
O11	C1	H1	110.8°	109.3°
C1	O11	H11	109.5°	106.8°
C3	C2	N12	109.8°	109.7°
C3	C2	H2	108.6°	109.7°
C2	C3	C4	109.8°	108.4°
C2	C3	H31	109.3°	109.6°
C2	C3	H32	109.3°	109.7°
N12	C2	H2	109.7°	109.7°
C2	N12	H121	109.4°	106.7°
C2	N12	H122	109.5°	106.7°
C4	C3	H31	109.3°	109.7°
C4	C3	H32	109.4°	109.7°
C3	C4	C5	112.5°	110.6°
C3	C4	H41	107.8°	109.3°
C3	C4	H42	108.5°	109.2°
H31	C3	H32	109.7°	109.7°
C5	C4	H41	107.8°	109.2°
C5	C4	H42	108.5°	109.2°
C4	C5	C10	118.4°	117.8°
C4	C5	C6	121.7°	122.5°
H41	C4	H42	111.9°	109.2°
C10	C5	C6	119.9°	119.7°
C5	C10	C9	120.4°	120.6°
C5	C10	H10	119.8°	119.7°
C5	C6	C7	119.6°	119.7°
C9	C10	H10	119.8°	119.7°
C10	C9	C8	119.9°	119.8°
C10	C9	H9	120.0°	120.1°
C6	C7	C8	120.5°	120.5°
C6	C7	H7	119.8°	119.7°
C8	C7	H7	119.8°	119.7°
C7	C8	C9	119.8°	119.8°
C7	C8	H8	120.1°	120.1°
C9	C8	H8	120.1°	120.1°
C8	C9	H9	120.1°	120.1°
H121	N12	H122	109.5°	106.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O11	120.2°	120.2°
C2	C1	C6	H1	119.1°	120.3°
C2	C1	O11	H1	119.2°	119.5°
C1	C2	C3	N12	120.3°	119.7°
C1	C2	C3	H2	119.8°	119.7°
C1	C2	N12	H2	119.8°	120.5°
C1	C2	C3	C4	65.8°	69.9°
C1	C2	C3	H31	54.1°	170.4°
C1	C2	C3	H32	174.2°	49.9°
C2	C1	C6	C5	20.5°	17.8°
C2	C1	C6	C7	160.6°	162.6°
C2	C1	O11	H11	104.4°	178.9°
C1	C2	N12	H121	148.5°	179.5°
C1	C2	N12	H122	91.4°	66.8°
C6	C1	O11	H1	119.5°	119.4°
C6	C1	C2	C3	50.8°	51.1°
C6	C1	C2	N12	171.5°	170.8°
C6	C1	C2	H2	68.5°	68.7°
C1	C6	C5	C4	3.6°	0.7°
C1	C6	C5	C10	178.8°	179.4°
C1	C6	C5	C7	178.9°	179.7°
C1	C6	C7	C8	178.9°	179.5°
C1	C6	C7	H7	1.1°	0.6°
C6	C1	O11	H11	16.9°	60.0°
O11	C1	C2	C3	68.9°	69.2°
O11	C1	C2	N12	51.7°	50.6°
O11	C1	C2	H2	171.7°	171.1°
O11	C1	C6	C5	99.7°	102.5°
O11	C1	C6	C7	79.2°	77.2°
H1	C1	C2	C3	170.3°	171.3°
H1	C1	C2	N12	69.0°	68.9°
H1	C1	C2	H2	51.0°	51.6°
H1	C1	C6	C5	139.6°	138.1°
H1	C1	C6	C7	41.5°	42.3°
H1	C1	O11	H11	136.5°	59.4°
C3	C2	N12	H2	119.3°	120.6°
C2	C3	C4	H31	119.9°	119.7°
C2	C3	C4	H32	120.0°	119.8°
C2	C3	H31	H32	119.9°	120.5°
C2	C3	C4	C5	47.1°	51.2°
C2	C3	C4	H41	165.8°	69.1°
C2	C3	C4	H42	72.9°	171.4°
C3	C2	N12	H121	90.6°	60.6°
C3	C2	N12	H122	29.5°	174.3°
N12	C2	C3	C4	173.9°	170.4°
N12	C2	C3	H31	66.2°	50.7°
N12	C2	C3	H32	53.9°	69.8°
C2	N12	H121	H122	120.0°	113.8°
H2	C2	C3	C4	53.9°	49.8°
H2	C2	C3	H31	173.8°	69.9°
H2	C2	C3	H32	66.1°	169.6°
H2	C2	N12	H121	28.7°	60.0°
H2	C2	N12	H122	148.8°	53.7°
C4	C3	H31	H32	119.9°	120.6°
C3	C4	C5	H41	118.7°	120.3°
C3	C4	C5	H42	120.0°	120.2°
C3	C4	H41	H42	119.1°	119.5°
C3	C4	C5	C10	165.4°	162.3°
C3	C4	C5	C6	17.0°	17.8°
H31	C3	C4	C5	72.8°	170.8°
H31	C3	C4	H41	45.9°	50.5°
H31	C3	C4	H42	167.2°	69.0°
H32	C3	C4	C5	167.1°	68.6°
H32	C3	C4	H41	74.2°	171.1°
H32	C3	C4	H42	47.1°	51.6°
C5	C4	H41	H42	119.2°	119.4°
C4	C5	C10	C6	177.7°	179.9°
C4	C5	C10	C9	177.6°	179.7°
C4	C5	C10	H10	2.4°	0.3°
C4	C5	C6	C7	177.6°	179.6°
H41	C4	C5	C10	46.7°	77.4°
H41	C4	C5	C6	135.6°	102.5°
H42	C4	C5	C10	74.7°	42.0°
H42	C4	C5	C6	103.0°	138.1°
C5	C10	C9	H10	180.0°	180.0°
C10	C5	C6	C7	0.1°	0.3°
C5	C10	C9	C8	0.0°	0.0°
C5	C10	C9	H9	180.0°	180.0°
C6	C5	C10	C9	0.1°	0.2°
C6	C5	C10	H10	179.9°	179.8°
C5	C6	C7	C8	0.0°	0.2°
C5	C6	C7	H7	180.0°	179.7°
C10	C9	C8	C7	0.1°	0.1°
C10	C9	C8	H9	180.0°	180.0°
C10	C9	C8	H8	179.9°	179.9°
H10	C10	C9	C8	180.0°	180.0°
H10	C10	C9	H9	0.0°	0.1°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H8	179.9°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	H9	179.9°	179.9°
H7	C7	C8	C9	179.9°	179.9°
H7	C7	C8	H8	0.1°	0.1°
H8	C8	C9	H9	0.0°	0.1°

Definition date:	2005-08-12
Last modified:	2020-05-27
Release status:	REL
Processing site:	RCSB
Derived from:	2AN3