H12

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	CB	sing	1.53Å	1.60Å
CA	CF	sing	1.53Å	1.62Å
CA	O4	sing	1.43Å	1.43Å
CA	HA	sing	1.09Å	1.12Å
CB	CC	sing	1.53Å	1.55Å
CB	HB1	sing	1.09Å	1.12Å
CB	HB2	sing	1.09Å	1.12Å
CC	CD	sing	1.53Å	1.54Å
CC	HC1	sing	1.09Å	1.12Å
CC	HC2	sing	1.09Å	1.11Å
CD	CE	sing	1.53Å	1.55Å
CD	HD1	sing	1.09Å	1.11Å
CD	HD2	sing	1.09Å	1.12Å
CE	CF	sing	1.53Å	1.55Å
CE	HE1	sing	1.09Å	1.12Å
CE	HE2	sing	1.09Å	1.11Å
CF	HF1	sing	1.09Å	1.12Å
CF	HF2	sing	1.09Å	1.11Å
N1	C6	sing	1.34Å	1.40Å	Aromatic
N1	C2	sing	1.38Å	1.38Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C6	O2	doub	1.22Å	1.24Å
C6	C5	sing	1.40Å	1.47Å	Aromatic
C5	C4	doub	1.37Å	1.39Å	Aromatic
C5	C11	sing	1.51Å	1.53Å
C4	O4	sing	1.35Å	1.41Å
C4	C3	sing	1.47Å	1.39Å	Aromatic
C2	C3	sing	1.41Å	1.43Å	Aromatic
C2	C10	doub	1.39Å	1.40Å	Aromatic
C3	C7	doub	1.40Å	1.42Å	Aromatic
C7	C8	sing	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.39Å	1.40Å	Aromatic
C8	CL	sing	1.74Å	1.70Å
C9	C10	sing	1.38Å	1.43Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å
C11	C12	sing	1.53Å	1.52Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	C13	sing	1.53Å	1.52Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.12Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C13	H133	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB	CA	CF	110.4°	109.4°
CB	CA	O4	117.7°	109.5°
CB	CA	HA	104.2°	109.5°
CA	CB	CC	113.8°	109.5°
CA	CB	HB1	110.6°	109.5°
CA	CB	HB2	110.6°	109.5°
CF	CA	O4	113.3°	109.4°
CF	CA	HA	109.7°	109.5°
CA	CF	CE	116.2°	109.5°
CA	CF	HF1	109.8°	109.4°
CA	CF	HF2	109.7°	109.5°
O4	CA	HA	100.6°	109.5°
CA	O4	C4	117.1°	106.8°
CC	CB	HB1	110.6°	109.4°
CC	CB	HB2	110.6°	109.5°
CB	CC	CD	110.6°	109.4°
CB	CC	HC1	111.8°	109.4°
CB	CC	HC2	111.8°	109.5°
HB1	CB	HB2	99.7°	109.5°
CD	CC	HC1	111.8°	109.6°
CD	CC	HC2	111.8°	109.5°
CC	CD	CE	110.5°	109.5°
CC	CD	HD1	111.9°	109.4°
CC	CD	HD2	111.8°	109.5°
HC1	CC	HC2	98.6°	109.4°
CE	CD	HD1	111.8°	109.5°
CE	CD	HD2	111.8°	109.5°
CD	CE	CF	112.3°	109.5°
CD	CE	HE1	111.2°	109.5°
CD	CE	HE2	111.1°	109.5°
HD1	CD	HD2	98.5°	109.5°
CF	CE	HE1	111.2°	109.5°
CF	CE	HE2	111.2°	109.5°
CE	CF	HF1	109.8°	109.5°
CE	CF	HF2	109.7°	109.5°
HE1	CE	HE2	99.2°	109.5°
HF1	CF	HF2	100.4°	109.4°
C6	N1	C2	120.8°	121.2°
C6	N1	HN1	120.3°	119.4°
N1	C6	O2	120.9°	119.1°
N1	C6	C5	118.3°	121.8°
C2	N1	HN1	118.9°	119.5°
N1	C2	C3	120.6°	119.6°
N1	C2	C10	119.3°	120.9°
O2	C6	C5	120.8°	119.1°
C6	C5	C4	120.0°	120.1°
C6	C5	C11	118.5°	119.9°
C4	C5	C11	120.9°	120.0°
C5	C4	O4	118.5°	120.8°
C5	C4	C3	120.2°	118.4°
C5	C11	C12	110.5°	109.5°
C5	C11	H111	111.8°	109.4°
C5	C11	H112	111.8°	109.5°
O4	C4	C3	121.2°	120.8°
C4	C3	C2	120.0°	118.9°
C4	C3	C7	121.4°	121.1°
C3	C2	C10	120.1°	119.5°
C2	C3	C7	118.6°	120.0°
C2	C10	C9	120.2°	119.9°
C2	C10	H10	118.7°	120.0°
C3	C7	C8	121.2°	119.6°
C3	C7	H7	120.3°	120.2°
C8	C7	H7	118.5°	120.2°
C7	C8	C9	119.9°	120.4°
C7	C8	CL	120.2°	119.8°
C9	C8	CL	119.9°	119.8°
C8	C9	C10	120.1°	120.7°
C8	C9	H9	118.9°	119.7°
C10	C9	H9	121.0°	119.6°
C9	C10	H10	121.1°	120.1°
C12	C11	H111	111.8°	109.5°
C12	C11	H112	111.8°	109.5°
C11	C12	C13	111.6°	109.5°
C11	C12	H121	111.4°	109.5°
C11	C12	H122	111.4°	109.4°
H111	C11	H112	98.6°	109.5°
C13	C12	H121	111.4°	109.5°
C13	C12	H122	111.4°	109.5°
C12	C13	H131	111.4°	109.5°
C12	C13	H132	111.6°	109.5°
C12	C13	H133	111.4°	109.4°
H121	C12	H122	98.9°	109.5°
H131	C13	H132	111.4°	109.5°
H131	C13	H133	98.9°	109.5°
H132	C13	H133	111.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB	CA	CF	O4	134.4°	119.9°
CB	CA	CF	HA	114.2°	120.1°
CB	CA	O4	HA	112.3°	120.0°
CA	CB	CC	HB1	125.3°	120.0°
CA	CB	CC	HB2	125.3°	120.0°
CA	CB	HB1	HB2	116.5°	120.0°
CA	CB	CC	CD	57.5°	60.0°
CA	CB	CC	HC1	67.7°	60.0°
CA	CB	CC	HC2	177.2°	180.0°
CB	CA	CF	CE	39.3°	60.1°
CB	CA	CF	HF1	86.0°	179.9°
CB	CA	CF	HF2	164.6°	60.0°
CB	CA	O4	C4	95.1°	90.0°
CF	CA	O4	HA	116.9°	120.0°
CF	CA	CB	CC	44.5°	60.0°
CF	CA	CB	HB1	169.8°	59.9°
CF	CA	CB	HB2	80.8°	180.0°
CA	CF	CE	CD	46.3°	60.0°
CA	CF	CE	HF1	125.3°	119.9°
CA	CF	CE	HF2	125.2°	120.1°
CA	CF	CE	HE1	78.9°	60.0°
CA	CF	CE	HE2	171.6°	180.0°
CA	CF	HF1	HF2	115.5°	120.0°
CF	CA	O4	C4	134.1°	150.1°
O4	CA	CB	CC	176.6°	180.0°
O4	CA	CB	HB1	58.1°	60.0°
O4	CA	CB	HB2	51.4°	60.1°
O4	CA	CF	CE	173.7°	180.0°
O4	CA	CF	HF1	48.4°	60.0°
O4	CA	CF	HF2	61.0°	60.0°
CA	O4	C4	C5	105.4°	112.5°
CA	O4	C4	C3	78.7°	67.5°
HA	CA	CB	CC	73.1°	60.0°
HA	CA	CB	HB1	52.2°	180.0°
HA	CA	CB	HB2	161.6°	59.9°
HA	CA	CF	CE	74.8°	60.0°
HA	CA	CF	HF1	159.9°	60.0°
HA	CA	CF	HF2	50.4°	180.0°
HA	CA	O4	C4	17.2°	30.1°
CC	CB	HB1	HB2	116.5°	120.0°
CB	CC	CD	HC1	125.3°	120.0°
CB	CC	CD	HC2	125.3°	120.0°
CB	CC	HC1	HC2	117.7°	120.0°
CB	CC	CD	CE	62.7°	60.0°
CB	CC	CD	HD1	172.0°	180.0°
CB	CC	CD	HD2	62.6°	60.0°
HB1	CB	CC	CD	177.2°	60.0°
HB1	CB	CC	HC1	57.5°	180.0°
HB1	CB	CC	HC2	51.9°	60.0°
HB2	CB	CC	CD	67.7°	180.0°
HB2	CB	CC	HC1	167.0°	60.0°
HB2	CB	CC	HC2	57.5°	60.0°
CD	CC	HC1	HC2	117.7°	120.0°
CC	CD	CE	HD1	125.3°	119.9°
CC	CD	CE	HD2	125.3°	120.1°
CC	CD	HD1	HD2	117.7°	120.0°
CC	CD	CE	CF	56.9°	60.0°
CC	CD	CE	HE1	68.3°	60.0°
CC	CD	CE	HE2	177.8°	179.9°
HC1	CC	CD	CE	62.6°	60.0°
HC1	CC	CD	HD1	62.7°	60.0°
HC1	CC	CD	HD2	172.1°	180.0°
HC2	CC	CD	CE	172.0°	180.0°
HC2	CC	CD	HD1	46.7°	60.0°
HC2	CC	CD	HD2	62.7°	60.0°
CE	CD	HD1	HD2	117.7°	120.0°
CD	CE	CF	HE1	125.3°	120.0°
CD	CE	CF	HE2	125.3°	120.0°
CD	CE	HE1	HE2	117.0°	120.0°
CD	CE	CF	HF1	78.9°	180.0°
CD	CE	CF	HF2	171.6°	60.0°
HD1	CD	CE	CF	177.8°	180.0°
HD1	CD	CE	HE1	57.0°	60.0°
HD1	CD	CE	HE2	52.5°	60.0°
HD2	CD	CE	CF	68.3°	60.0°
HD2	CD	CE	HE1	166.4°	180.0°
HD2	CD	CE	HE2	57.0°	60.0°
CF	CE	HE1	HE2	117.1°	120.0°
CE	CF	HF1	HF2	115.5°	120.0°
HE1	CE	CF	HF1	155.8°	60.0°
HE1	CE	CF	HF2	46.3°	180.0°
HE2	CE	CF	HF1	46.3°	60.0°
HE2	CE	CF	HF2	63.2°	60.0°
C6	N1	C2	HN1	180.0°	179.7°
N1	C6	O2	C5	177.7°	179.4°
N1	C6	C5	C4	1.4°	0.6°
N1	C6	C5	C11	170.6°	179.7°
C6	N1	C2	C3	1.2°	0.3°
C6	N1	C2	C10	178.7°	179.7°
C2	N1	C6	O2	177.7°	180.0°
C2	N1	C6	C5	0.1°	0.6°
N1	C2	C3	C4	1.2°	0.0°
N1	C2	C3	C10	179.9°	180.0°
N1	C2	C3	C7	179.9°	180.0°
N1	C2	C10	C9	180.0°	180.0°
N1	C2	C10	H10	0.0°	0.1°
HN1	N1	C6	O2	2.2°	0.4°
HN1	N1	C6	C5	180.0°	179.7°
HN1	N1	C2	C3	178.7°	180.0°
HN1	N1	C2	C10	1.3°	0.0°
O2	C6	C5	C4	176.4°	180.0°
O2	C6	C5	C11	11.6°	0.3°
C6	C5	C4	C11	171.8°	179.7°
C6	C5	C4	O4	177.4°	179.8°
C6	C5	C4	C3	1.4°	0.3°
C6	C5	C11	C12	81.0°	85.6°
C6	C5	C11	H111	153.7°	154.4°
C6	C5	C11	H112	44.2°	34.4°
C5	C4	O4	C3	175.9°	179.9°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	C7	178.5°	180.0°
C4	C5	C11	C12	90.9°	94.7°
C4	C5	C11	H111	34.4°	25.3°
C4	C5	C11	H112	143.9°	145.3°
C11	C5	C4	O4	5.6°	0.1°
C11	C5	C4	C3	170.4°	180.0°
C5	C11	C12	H111	125.3°	120.0°
C5	C11	C12	H112	125.3°	120.0°
C5	C11	H111	H112	117.7°	120.0°
C5	C11	C12	C13	93.2°	175.2°
C5	C11	C12	H121	141.5°	64.8°
C5	C11	C12	H122	32.1°	55.2°
O4	C4	C3	C2	176.0°	179.9°
O4	C4	C3	C7	2.6°	0.1°
C4	C3	C2	C7	178.6°	180.0°
C4	C3	C2	C10	178.7°	180.0°
C4	C3	C7	C8	179.1°	180.0°
C4	C3	C7	H7	0.9°	0.2°
C2	C3	C7	C8	0.5°	0.0°
C2	C3	C7	H7	179.5°	179.9°
C3	C2	C10	C9	0.0°	0.0°
C3	C2	C10	H10	180.0°	180.0°
C10	C2	C3	C7	0.1°	0.0°
C2	C10	C9	C8	0.3°	0.0°
C2	C10	C9	H10	180.0°	180.0°
C2	C10	C9	H9	179.7°	179.9°
C3	C7	C8	H7	180.0°	179.8°
C3	C7	C8	C9	0.8°	0.0°
C3	C7	C8	CL	177.2°	180.0°
C7	C8	C9	CL	178.0°	180.0°
C7	C8	C9	C10	0.7°	0.0°
C7	C8	C9	H9	179.3°	180.0°
H7	C7	C8	C9	179.2°	179.9°
H7	C7	C8	CL	2.8°	0.2°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	H10	179.7°	180.0°
CL	C8	C9	C10	177.3°	180.0°
CL	C8	C9	H9	2.7°	0.1°
H9	C9	C10	H10	0.3°	0.0°
C12	C11	H111	H112	117.7°	120.0°
C11	C12	C13	H121	125.3°	120.0°
C11	C12	C13	H122	125.3°	120.0°
C11	C12	H121	H122	117.3°	119.9°
C11	C12	C13	H131	54.7°	175.2°
C11	C12	C13	H132	180.0°	64.8°
C11	C12	C13	H133	54.7°	55.2°
H111	C11	C12	C13	32.1°	55.2°
H111	C11	C12	H121	93.2°	175.2°
H111	C11	C12	H122	157.3°	64.8°
H112	C11	C12	C13	141.5°	64.7°
H112	C11	C12	H121	16.3°	55.3°
H112	C11	C12	H122	93.2°	175.2°
C13	C12	H121	H122	117.3°	120.1°
C12	C13	H131	H132	125.4°	120.0°
C12	C13	H131	H133	117.3°	119.9°
C12	C13	H132	H133	125.3°	120.0°
H121	C12	C13	H131	180.0°	64.8°
H121	C12	C13	H132	54.7°	55.1°
H121	C12	C13	H133	70.5°	175.2°
H122	C12	C13	H131	70.5°	55.2°
H122	C12	C13	H132	54.7°	175.2°
H122	C12	C13	H133	180.0°	64.8°
H131	C13	H132	H133	109.5°	120.0°

Definition date:	2004-07-22
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1TKT