H18

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CA	CB	sing	1.53Å	1.55Å
CA	CF	sing	1.53Å	1.61Å
CA	S4	sing	1.81Å	1.84Å
CA	HA	sing	1.09Å	1.12Å
CB	CC	sing	1.53Å	1.53Å
CB	HB1	sing	1.09Å	1.11Å
CB	HB2	sing	1.09Å	1.11Å
CC	CD	sing	1.53Å	1.54Å
CC	HC1	sing	1.09Å	1.11Å
CC	HC2	sing	1.09Å	1.12Å
CD	CE	sing	1.53Å	1.57Å
CD	HD1	sing	1.09Å	1.11Å
CD	HD2	sing	1.09Å	1.12Å
CE	CF	sing	1.53Å	1.59Å
CE	HE1	sing	1.09Å	1.12Å
CE	HE2	sing	1.09Å	1.12Å
CF	HF1	sing	1.09Å	1.12Å
CF	HF2	sing	1.09Å	1.12Å
N1	C6	sing	1.35Å	1.45Å	Aromatic
N1	C2	sing	1.38Å	1.42Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C6	O2	doub	1.22Å	1.30Å
C6	C5	sing	1.41Å	1.53Å	Aromatic
C5	C4	doub	1.36Å	1.44Å	Aromatic
C5	C11	sing	1.51Å	1.54Å
C4	S4	sing	1.76Å	1.77Å
C4	C3	sing	1.46Å	1.43Å	Aromatic
S4	OS	doub	1.42Å	1.51Å
C2	C3	sing	1.41Å	1.48Å	Aromatic
C2	C10	doub	1.39Å	1.42Å	Aromatic
C3	C7	doub	1.40Å	1.46Å	Aromatic
C7	C8	sing	1.38Å	1.42Å	Aromatic
C7	H7	sing	1.08Å	1.10Å
C8	C9	doub	1.39Å	1.43Å	Aromatic
C8	CL	sing	1.74Å	1.68Å
C9	C10	sing	1.38Å	1.42Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C10	H10	sing	1.08Å	1.10Å
C11	C12	sing	1.53Å	1.53Å
C11	H111	sing	1.09Å	1.11Å
C11	H112	sing	1.09Å	1.12Å
C12	C13	sing	1.53Å	1.55Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
C13	H131	sing	1.09Å	1.12Å
C13	H132	sing	1.09Å	1.11Å
C13	H133	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CB	CA	CF	113.8°	109.5°
CB	CA	S4	111.0°	109.5°
CB	CA	HA	105.6°	109.5°
CA	CB	CC	108.8°	109.5°
CA	CB	HB1	112.5°	109.5°
CA	CB	HB2	112.5°	109.5°
CF	CA	S4	110.1°	109.5°
CF	CA	HA	106.6°	109.5°
CA	CF	CE	117.3°	109.5°
CA	CF	HF1	109.4°	109.5°
CA	CF	HF2	109.4°	109.4°
S4	CA	HA	109.6°	109.4°
CA	S4	C4	106.8°	103.0°
CA	S4	OS	110.4°	109.5°
CC	CB	HB1	112.5°	109.5°
CC	CB	HB2	112.5°	109.5°
CB	CC	CD	107.6°	109.4°
CB	CC	HC1	112.9°	109.5°
CB	CC	HC2	112.9°	109.4°
HB1	CB	HB2	98.0°	109.4°
CD	CC	HC1	112.9°	109.5°
CD	CC	HC2	112.9°	109.5°
CC	CD	CE	114.4°	109.5°
CC	CD	HD1	110.4°	109.5°
CC	CD	HD2	110.4°	109.4°
HC1	CC	HC2	97.6°	109.5°
CE	CD	HD1	110.4°	109.5°
CE	CD	HD2	110.4°	109.4°
CD	CE	CF	116.9°	109.5°
CD	CE	HE1	109.5°	109.5°
CD	CE	HE2	109.5°	109.5°
HD1	CD	HD2	99.9°	109.5°
CF	CE	HE1	109.5°	109.5°
CF	CE	HE2	109.5°	109.4°
CE	CF	HF1	109.4°	109.5°
CE	CF	HF2	109.4°	109.4°
HE1	CE	HE2	100.6°	109.5°
HF1	CF	HF2	100.8°	109.5°
C6	N1	C2	122.8°	120.9°
C6	N1	HN1	119.7°	119.5°
N1	C6	O2	119.9°	119.1°
N1	C6	C5	116.7°	121.7°
C2	N1	HN1	117.5°	119.6°
N1	C2	C3	120.1°	119.6°
N1	C2	C10	119.4°	120.9°
O2	C6	C5	123.4°	119.2°
C6	C5	C4	119.2°	120.2°
C6	C5	C11	120.0°	119.9°
C4	C5	C11	120.8°	119.9°
C5	C4	S4	118.5°	120.7°
C5	C4	C3	122.1°	118.6°
C5	C11	C12	107.9°	109.5°
C5	C11	H111	112.8°	109.5°
C5	C11	H112	112.8°	109.4°
S4	C4	C3	119.4°	120.7°
C4	S4	OS	110.3°	103.0°
C4	C3	C2	119.2°	119.0°
C4	C3	C7	122.5°	121.1°
C3	C2	C10	120.5°	119.5°
C2	C3	C7	118.3°	119.9°
C2	C10	C9	119.6°	119.9°
C2	C10	H10	120.0°	120.1°
C3	C7	C8	119.7°	119.6°
C3	C7	H7	121.2°	120.2°
C8	C7	H7	119.1°	120.2°
C7	C8	C9	120.7°	120.4°
C7	C8	CL	120.9°	119.8°
C9	C8	CL	118.4°	119.8°
C8	C9	C10	121.3°	120.7°
C8	C9	H9	119.4°	119.7°
C10	C9	H9	119.3°	119.7°
C9	C10	H10	120.4°	120.0°
C12	C11	H111	112.8°	109.5°
C12	C11	H112	112.8°	109.5°
C11	C12	C13	114.4°	109.5°
C11	C12	H121	110.4°	109.5°
C11	C12	H122	110.4°	109.4°
H111	C11	H112	97.7°	109.5°
C13	C12	H121	110.4°	109.5°
C13	C12	H122	110.4°	109.5°
C12	C13	H131	110.4°	109.5°
C12	C13	H132	114.4°	109.5°
C12	C13	H133	110.4°	109.5°
H121	C12	H122	99.9°	109.5°
H131	C13	H132	110.4°	109.5°
H131	C13	H133	99.9°	109.4°
H132	C13	H133	110.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CB	CA	CF	S4	125.2°	120.0°
CB	CA	CF	HA	116.0°	120.0°
CB	CA	S4	HA	116.3°	120.0°
CA	CB	CC	HB1	125.3°	120.0°
CA	CB	CC	HB2	125.3°	120.0°
CA	CB	HB1	HB2	118.4°	120.0°
CA	CB	CC	CD	72.2°	60.0°
CA	CB	CC	HC1	53.0°	180.0°
CA	CB	CC	HC2	162.5°	60.0°
CB	CA	CF	CE	21.5°	60.0°
CB	CA	CF	HF1	103.8°	180.0°
CB	CA	CF	HF2	146.7°	60.0°
CB	CA	S4	C4	95.4°	174.9°
CB	CA	S4	OS	144.6°	76.1°
CF	CA	S4	HA	116.9°	120.0°
CF	CA	CB	CC	53.3°	60.0°
CF	CA	CB	HB1	178.6°	60.1°
CF	CA	CB	HB2	72.0°	180.0°
CA	CF	CE	CD	8.0°	60.0°
CA	CF	CE	HF1	125.3°	120.1°
CA	CF	CE	HF2	125.2°	119.9°
CA	CF	CE	HE1	117.2°	179.9°
CA	CF	CE	HE2	133.3°	60.0°
CA	CF	HF1	HF2	115.2°	120.0°
CF	CA	S4	C4	137.8°	65.1°
CF	CA	S4	OS	17.8°	44.0°
S4	CA	CB	CC	178.0°	180.0°
S4	CA	CB	HB1	56.7°	60.0°
S4	CA	CB	HB2	52.8°	60.0°
S4	CA	CF	CE	146.7°	180.0°
S4	CA	CF	HF1	21.4°	60.0°
S4	CA	CF	HF2	88.1°	60.0°
CA	S4	C4	C5	98.4°	104.1°
CA	S4	C4	OS	120.1°	113.9°
CA	S4	C4	C3	81.8°	75.9°
HA	CA	CB	CC	63.2°	60.0°
HA	CA	CB	HB1	62.0°	179.9°
HA	CA	CB	HB2	171.5°	60.0°
HA	CA	CF	CE	94.5°	60.1°
HA	CA	CF	HF1	140.3°	60.0°
HA	CA	CF	HF2	30.7°	180.0°
HA	CA	S4	C4	20.9°	54.9°
HA	CA	S4	OS	99.1°	163.9°
CC	CB	HB1	HB2	118.4°	120.0°
CB	CC	CD	HC1	125.3°	120.0°
CB	CC	CD	HC2	125.3°	119.9°
CB	CC	HC1	HC2	118.9°	120.0°
CB	CC	CD	CE	58.6°	60.0°
CB	CC	CD	HD1	176.2°	60.0°
CB	CC	CD	HD2	66.7°	180.0°
HB1	CB	CC	CD	162.5°	60.0°
HB1	CB	CC	HC1	72.3°	60.0°
HB1	CB	CC	HC2	37.2°	180.0°
HB2	CB	CC	CD	53.1°	180.0°
HB2	CB	CC	HC1	178.3°	60.0°
HB2	CB	CC	HC2	72.2°	60.0°
CD	CC	HC1	HC2	118.8°	120.0°
CC	CD	CE	HD1	125.2°	120.1°
CC	CD	CE	HD2	125.3°	119.9°
CC	CD	HD1	HD2	116.3°	120.0°
CC	CD	CE	CF	26.7°	60.0°
CC	CD	CE	HE1	98.5°	180.0°
CC	CD	CE	HE2	152.0°	59.9°
HC1	CC	CD	CE	66.7°	180.0°
HC1	CC	CD	HD1	58.6°	60.0°
HC1	CC	CD	HD2	168.1°	60.0°
HC2	CC	CD	CE	176.1°	59.9°
HC2	CC	CD	HD1	50.9°	180.0°
HC2	CC	CD	HD2	58.6°	60.0°
CE	CD	HD1	HD2	116.2°	120.0°
CD	CE	CF	HE1	125.3°	120.0°
CD	CE	CF	HE2	125.3°	120.0°
CD	CE	HE1	HE2	115.3°	120.1°
CD	CE	CF	HF1	117.2°	180.0°
CD	CE	CF	HF2	133.3°	60.0°
HD1	CD	CE	CF	152.0°	60.1°
HD1	CD	CE	HE1	26.7°	59.9°
HD1	CD	CE	HE2	82.7°	180.0°
HD2	CD	CE	CF	98.6°	180.0°
HD2	CD	CE	HE1	136.2°	60.1°
HD2	CD	CE	HE2	26.7°	60.0°
CF	CE	HE1	HE2	115.3°	120.0°
CE	CF	HF1	HF2	115.1°	120.0°
HE1	CE	CF	HF1	117.5°	60.0°
HE1	CE	CF	HF2	8.0°	60.0°
HE2	CE	CF	HF1	8.1°	60.0°
HE2	CE	CF	HF2	101.4°	180.0°
C6	N1	C2	HN1	180.0°	179.8°
N1	C6	O2	C5	179.9°	179.9°
N1	C6	C5	C4	0.2°	0.1°
N1	C6	C5	C11	179.9°	179.9°
C6	N1	C2	C3	0.0°	0.1°
C6	N1	C2	C10	179.8°	179.9°
C2	N1	C6	O2	180.0°	180.0°
C2	N1	C6	C5	0.1°	0.1°
N1	C2	C3	C4	0.0°	0.0°
N1	C2	C3	C10	179.8°	180.0°
N1	C2	C3	C7	179.9°	180.0°
N1	C2	C10	C9	179.9°	180.0°
N1	C2	C10	H10	0.1°	0.1°
HN1	N1	C6	O2	0.0°	0.2°
HN1	N1	C6	C5	179.9°	179.7°
HN1	N1	C2	C3	180.0°	179.8°
HN1	N1	C2	C10	0.2°	0.3°
O2	C6	C5	C4	179.9°	180.0°
O2	C6	C5	C11	0.0°	0.0°
C6	C5	C4	C11	179.9°	180.0°
C6	C5	C4	S4	180.0°	180.0°
C6	C5	C4	C3	0.2°	0.0°
C6	C5	C11	C12	82.9°	85.0°
C6	C5	C11	H111	151.8°	35.0°
C6	C5	C11	H112	42.3°	155.0°
C5	C4	S4	C3	179.8°	180.0°
C5	C4	S4	OS	141.6°	142.0°
C5	C4	C3	C2	0.2°	0.0°
C5	C4	C3	C7	180.0°	180.0°
C4	C5	C11	C12	97.2°	94.9°
C4	C5	C11	H111	28.1°	145.0°
C4	C5	C11	H112	137.6°	25.0°
C11	C5	C4	S4	0.1°	0.0°
C11	C5	C4	C3	179.9°	180.0°
C5	C11	C12	H111	125.3°	120.0°
C5	C11	C12	H112	125.3°	119.9°
C5	C11	H111	H112	118.8°	120.0°
C5	C11	C12	C13	91.9°	180.0°
C5	C11	C12	H121	142.8°	60.0°
C5	C11	C12	H122	33.4°	60.0°
S4	C4	C3	C2	180.0°	180.0°
S4	C4	C3	C7	0.2°	0.0°
C3	C4	S4	OS	38.3°	38.0°
C4	C3	C2	C7	179.9°	180.0°
C4	C3	C2	C10	179.8°	180.0°
C4	C3	C7	C8	179.8°	180.0°
C4	C3	C7	H7	0.2°	0.0°
C2	C3	C7	C8	0.3°	0.0°
C2	C3	C7	H7	179.6°	180.0°
C3	C2	C10	C9	0.1°	0.0°
C3	C2	C10	H10	179.9°	179.9°
C10	C2	C3	C7	0.3°	0.0°
C2	C10	C9	C8	0.0°	0.0°
C2	C10	C9	H10	180.0°	179.9°
C2	C10	C9	H9	180.0°	180.0°
C3	C7	C8	H7	180.0°	180.0°
C3	C7	C8	C9	0.2°	0.1°
C3	C7	C8	CL	179.8°	180.0°
C7	C8	C9	CL	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.0°
C7	C8	C9	H9	179.9°	180.0°
H7	C7	C8	C9	179.7°	179.9°
H7	C7	C8	CL	0.2°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	H10	180.0°	179.9°
CL	C8	C9	C10	180.0°	180.0°
CL	C8	C9	H9	0.0°	0.0°
H9	C9	C10	H10	0.0°	0.1°
C12	C11	H111	H112	118.7°	120.0°
C11	C12	C13	H121	125.3°	120.0°
C11	C12	C13	H122	125.3°	120.0°
C11	C12	H121	H122	116.2°	120.0°
C11	C12	C13	H131	54.7°	180.0°
C11	C12	C13	H132	180.0°	60.0°
C11	C12	C13	H133	54.7°	60.0°
H111	C11	C12	C13	33.3°	60.0°
H111	C11	C12	H121	91.9°	180.0°
H111	C11	C12	H122	158.6°	60.0°
H112	C11	C12	C13	142.8°	60.1°
H112	C11	C12	H121	17.5°	60.0°
H112	C11	C12	H122	91.9°	180.0°
C13	C12	H121	H122	116.3°	120.0°
C12	C13	H131	H132	127.5°	120.0°
C12	C13	H131	H133	116.3°	120.0°
C12	C13	H132	H133	125.3°	120.0°
H121	C12	C13	H131	180.0°	60.0°
H121	C12	C13	H132	54.7°	180.0°
H121	C12	C13	H133	70.5°	60.0°
H122	C12	C13	H131	70.5°	60.0°
H122	C12	C13	H132	54.8°	60.0°
H122	C12	C13	H133	NaN°	180.0°
H131	C13	H132	H133	109.5°	119.9°

Definition date:	2004-07-22
Last modified:	2012-01-05
Release status:	REL
Processing site:	RCSB
Derived from:	1TL1