CX6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.42Å	1.45Å
O1	C7	sing	1.35Å	1.39Å
O2	C5	doub	1.22Å	1.22Å
N1	C1	sing	1.48Å	1.46Å
N1	C4	sing	1.46Å	1.46Å
N1	C5	sing	1.36Å	1.38Å
C1	C2	sing	1.55Å	1.51Å
C1	H1	sing	1.09Å	1.12Å
C2	C3	sing	1.55Å	1.50Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.12Å
C3	C4	sing	1.55Å	1.54Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.11Å
C5	C6	sing	1.48Å	1.49Å
C6	C7	doub	1.41Å	1.43Å	Aromatic
C6	C11	sing	1.39Å	1.41Å	Aromatic
C7	C8	sing	1.38Å	1.41Å	Aromatic
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.39Å	1.40Å	Aromatic
C9	O3	sing	1.36Å	1.40Å
C10	C11	doub	1.39Å	1.42Å	Aromatic
C10	O4	sing	1.36Å	1.39Å
C11	H11	sing	1.08Å	1.10Å
O3	C13	sing	1.42Å	1.45Å
O4	C12	sing	1.42Å	1.46Å
C12	C13	sing	1.53Å	1.51Å
C12	H121	sing	1.09Å	1.11Å
C12	H122	sing	1.09Å	1.12Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O1	C7	110.6°	110.5°
O1	C1	N1	110.3°	110.3°
O1	C1	C2	112.7°	109.4°
O1	C1	H1	105.2°	110.8°
O1	C7	C6	120.5°	121.2°
O1	C7	C8	119.0°	119.9°
O2	C5	N1	122.8°	123.4°
O2	C5	C6	123.1°	123.4°
C1	N1	C4	113.1°	109.6°
C1	N1	C5	120.7°	122.0°
N1	C1	C2	104.3°	104.4°
N1	C1	H1	113.5°	110.9°
C4	N1	C5	125.4°	128.4°
N1	C4	C3	100.5°	107.0°
N1	C4	H41	115.6°	110.0°
N1	C4	H42	115.6°	109.9°
N1	C5	C6	114.1°	113.2°
C2	C1	H1	111.1°	110.8°
C1	C2	C3	105.3°	102.0°
C1	C2	H21	113.8°	110.9°
C1	C2	H22	113.7°	110.9°
C3	C2	H21	113.8°	110.9°
C3	C2	H22	113.8°	110.9°
C2	C3	C4	105.3°	103.0°
C2	C3	H31	113.7°	110.7°
C2	C3	H32	113.8°	110.7°
H21	C2	H22	96.7°	110.9°
C4	C3	H31	113.8°	110.7°
C4	C3	H32	113.8°	110.7°
C3	C4	H41	115.6°	109.9°
C3	C4	H42	115.7°	109.9°
H31	C3	H32	96.7°	110.8°
H41	C4	H42	94.8°	110.1°
C5	C6	C7	118.2°	118.3°
C5	C6	C11	122.7°	121.7°
C7	C6	C11	119.0°	119.9°
C6	C7	C8	120.5°	118.9°
C6	C11	C10	120.5°	120.6°
C6	C11	H11	119.4°	119.5°
C7	C8	C9	119.2°	120.9°
C7	C8	H8	120.9°	119.6°
C9	C8	H8	119.9°	119.5°
C8	C9	C10	121.4°	120.1°
C8	C9	O3	117.7°	116.4°
C10	C9	O3	120.9°	123.5°
C9	C10	C11	119.4°	119.5°
C9	C10	O4	123.0°	123.9°
C9	O3	C13	116.9°	108.9°
C11	C10	O4	117.6°	116.6°
C10	C11	H11	120.1°	119.9°
C10	O4	C12	112.7°	108.9°
O3	C13	C12	112.1°	108.2°
O3	C13	H131	111.2°	109.7°
O3	C13	H132	111.2°	109.7°
O4	C12	C13	112.7°	108.1°
O4	C12	H121	111.0°	109.7°
O4	C12	H122	111.1°	109.8°
C13	C12	H121	111.0°	109.7°
C13	C12	H122	111.0°	109.7°
C12	C13	H131	111.2°	109.7°
C12	C13	H132	111.3°	109.7°
H121	C12	H122	99.3°	109.7°
H131	C13	H132	99.1°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C2	121.2°	117.4°
O1	C1	N1	H1	117.7°	123.1°
O1	C1	N1	C4	125.7°	140.4°
O1	C1	N1	C5	44.4°	39.5°
O1	C1	C2	H1	117.7°	122.5°
O1	C1	C2	C3	102.4°	153.9°
O1	C1	C2	H21	22.8°	87.9°
O1	C1	C2	H22	132.3°	35.8°
C1	O1	C7	C6	34.5°	40.0°
C1	O1	C7	C8	145.2°	140.2°
C7	O1	C1	N1	56.9°	56.0°
C7	O1	C1	C2	173.0°	170.3°
C7	O1	C1	H1	65.8°	67.2°
O1	C7	C6	C5	4.2°	2.6°
O1	C7	C6	C8	179.7°	179.8°
O1	C7	C6	C11	179.4°	178.9°
O1	C7	C8	C9	179.6°	179.1°
O1	C7	C8	H8	0.3°	0.9°
O2	C5	N1	C1	174.8°	177.3°
O2	C5	N1	C4	16.5°	2.8°
O2	C5	N1	C6	179.4°	179.7°
O2	C5	C6	C7	160.2°	163.3°
O2	C5	C6	C11	16.1°	18.3°
C1	N1	C4	C5	169.5°	179.9°
N1	C1	C2	H1	122.6°	119.4°
N1	C1	C2	C3	17.2°	35.9°
N1	C1	C2	H21	142.5°	154.0°
N1	C1	C2	H22	108.1°	82.3°
C1	N1	C4	C3	23.3°	0.2°
C1	N1	C4	H41	102.0°	119.1°
C1	N1	C4	H42	148.5°	119.5°
C1	N1	C5	C6	5.9°	3.0°
C4	N1	C1	C2	4.5°	22.9°
C4	N1	C1	H1	116.6°	96.5°
N1	C4	C3	C2	33.0°	22.4°
N1	C4	C3	H41	125.3°	119.4°
N1	C4	C3	H42	125.2°	119.3°
N1	C4	C3	H31	92.2°	96.0°
N1	C4	C3	H32	158.3°	140.8°
N1	C4	H41	H42	121.4°	121.3°
C4	N1	C5	C6	162.9°	176.9°
C5	N1	C1	C2	165.6°	157.0°
C5	N1	C1	H1	73.3°	83.6°
C5	N1	C4	C3	146.2°	179.7°
C5	N1	C4	H41	88.5°	61.0°
C5	N1	C4	H42	21.0°	60.4°
N1	C5	C6	C7	19.2°	16.4°
N1	C5	C6	C11	164.5°	162.0°
C1	C2	C3	H21	125.3°	118.2°
C1	C2	C3	H22	125.2°	118.2°
C1	C2	H21	H22	119.6°	123.7°
C1	C2	C3	C4	31.8°	35.2°
C1	C2	C3	H31	93.4°	83.2°
C1	C2	C3	H32	157.1°	153.5°
H1	C1	C2	C3	139.9°	83.6°
H1	C1	C2	H21	94.9°	34.6°
H1	C1	C2	H22	14.5°	158.3°
C3	C2	H21	H22	119.8°	123.7°
C2	C3	C4	H31	125.2°	118.4°
C2	C3	C4	H32	125.3°	118.4°
C2	C3	H31	H32	119.7°	123.2°
C2	C3	C4	H41	92.2°	141.8°
C2	C3	C4	H42	158.3°	96.9°
H21	C2	C3	C4	157.1°	153.3°
H21	C2	C3	H31	31.8°	35.0°
H21	C2	C3	H32	77.6°	88.3°
H22	C2	C3	C4	93.4°	83.0°
H22	C2	C3	H31	141.3°	158.6°
H22	C2	C3	H32	31.9°	35.4°
C4	C3	H31	H32	119.8°	123.2°
C3	C4	H41	H42	121.5°	121.2°
H31	C3	C4	H41	142.6°	23.4°
H31	C3	C4	H42	33.1°	144.7°
H32	C3	C4	H41	33.1°	99.8°
H32	C3	C4	H42	76.5°	21.5°
C5	C6	C7	C11	176.4°	178.5°
C5	C6	C7	C8	176.1°	177.6°
C5	C6	C11	C10	175.9°	178.3°
C5	C6	C11	H11	4.1°	1.8°
C6	C7	C8	C9	0.1°	0.7°
C6	C7	C8	H8	180.0°	179.3°
C7	C6	C11	C10	0.3°	0.1°
C7	C6	C11	H11	179.7°	179.8°
C11	C6	C7	C8	0.3°	0.9°
C6	C11	C10	C9	0.1°	0.8°
C6	C11	C10	H11	180.0°	179.9°
C6	C11	C10	O4	179.7°	179.4°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.2°	0.2°
C7	C8	C9	O3	180.0°	179.6°
C8	C9	C10	O3	179.9°	179.8°
C8	C9	C10	C11	0.2°	1.0°
C8	C9	C10	O4	180.0°	179.2°
C8	C9	O3	C13	173.3°	161.1°
H8	C8	C9	C10	179.8°	179.8°
H8	C8	C9	O3	0.1°	0.5°
C9	C10	C11	O4	179.8°	179.8°
C9	C10	C11	H11	179.9°	179.3°
C10	C9	O3	C13	6.8°	19.1°
C9	C10	O4	C12	20.8°	18.6°
O3	C9	C10	C11	180.0°	178.8°
O3	C9	C10	O4	0.2°	1.0°
C9	O3	C13	C12	32.7°	51.5°
C9	O3	C13	H131	158.0°	171.2°
C9	O3	C13	H132	92.6°	68.1°
C11	C10	O4	C12	159.4°	161.2°
O4	C10	C11	H11	0.3°	0.5°
C10	O4	C12	C13	46.7°	51.0°
C10	O4	C12	H121	172.0°	68.7°
C10	O4	C12	H122	78.6°	170.6°
O3	C13	C12	O4	53.5°	72.0°
O3	C13	C12	H131	125.3°	119.7°
O3	C13	C12	H132	125.3°	119.7°
O3	C13	C12	H121	178.8°	47.7°
O3	C13	C12	H122	71.8°	168.3°
O3	C13	H131	H132	117.1°	120.7°
O4	C12	C13	H121	125.3°	119.7°
O4	C12	C13	H122	125.3°	119.7°
O4	C12	H121	H122	116.9°	120.7°
O4	C12	C13	H131	178.8°	168.4°
O4	C12	C13	H132	71.8°	47.7°
C13	C12	H121	H122	116.9°	120.6°
C12	C13	H131	H132	117.2°	120.6°
H121	C12	C13	H131	56.0°	72.0°
H121	C12	C13	H132	53.5°	167.4°
H122	C12	C13	H131	53.4°	48.7°
H122	C12	C13	H132	162.9°	72.0°

Definition date:	2005-08-18
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2AL4