Obsolete: PLY

PLY was replaced with PLM on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	doub	1.21Å	1.21Å
C1	C2	sing	1.51Å	1.52Å
C1	H11	sing	1.08Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.09Å
C2	H22	sing	1.09Å	1.07Å
C3	C4	sing	1.53Å	1.60Å
C3	H31	sing	1.09Å	1.09Å
C3	H32	sing	1.09Å	1.08Å
C4	C5	sing	1.53Å	1.57Å
C4	H41	sing	1.09Å	1.08Å
C4	H42	sing	1.09Å	1.08Å
C5	C6	sing	1.53Å	1.47Å
C5	H51	sing	1.09Å	1.07Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.53Å
C6	H61	sing	1.09Å	1.08Å
C6	H62	sing	1.09Å	1.08Å
C7	C8	sing	1.53Å	1.49Å
C7	H71	sing	1.09Å	1.07Å
C7	H72	sing	1.09Å	1.09Å
C8	C9	sing	1.53Å	1.49Å
C8	H81	sing	1.09Å	1.06Å
C8	H82	sing	1.09Å	1.07Å
C9	CA	sing	1.53Å	1.50Å
C9	H91	sing	1.09Å	1.07Å
C9	H92	sing	1.09Å	1.07Å
CA	CB	sing	1.53Å	1.51Å
CA	HA1	sing	1.09Å	1.08Å
CA	HA2	sing	1.09Å	1.07Å
CB	CC	sing	1.53Å	1.56Å
CB	HB1	sing	1.09Å	1.07Å
CB	HB2	sing	1.09Å	1.06Å
CC	CD	sing	1.53Å	1.46Å
CC	HC1	sing	1.09Å	1.08Å
CC	HC2	sing	1.09Å	1.07Å
CD	CE	sing	1.53Å	1.47Å
CD	HD1	sing	1.09Å	1.07Å
CD	HD2	sing	1.09Å	1.07Å
CE	CF	sing	1.53Å	1.53Å
CE	HE1	sing	1.09Å	1.09Å
CE	HE2	sing	1.09Å	1.07Å
CF	CG	sing	1.53Å	1.47Å
CF	HF1	sing	1.09Å	1.07Å
CF	HF2	sing	1.09Å	1.08Å
CG	HG1	sing	1.09Å	1.07Å
CG	HG2	sing	1.09Å	1.06Å
CG	HG3	sing	1.09Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	C2	120.0°	120.0°
O2	C1	H11	109.1°	120.0°
C2	C1	H11	130.9°	119.9°
C1	C2	C3	113.3°	109.5°
C1	C2	H21	109.7°	109.4°
C1	C2	H22	101.9°	109.5°
C3	C2	H21	110.6°	109.5°
C3	C2	H22	107.6°	109.5°
C2	C3	C4	110.4°	109.5°
C2	C3	H31	105.8°	109.4°
C2	C3	H32	108.9°	109.5°
H21	C2	H22	113.6°	109.4°
C4	C3	H31	115.9°	109.4°
C4	C3	H32	109.2°	109.5°
C3	C4	C5	110.8°	109.4°
C3	C4	H41	111.7°	109.4°
C3	C4	H42	112.6°	109.5°
H31	C3	H32	106.4°	109.5°
C5	C4	H41	105.9°	109.5°
C5	C4	H42	108.2°	109.5°
C4	C5	C6	110.8°	109.4°
C4	C5	H51	110.7°	109.5°
C4	C5	H52	116.3°	109.5°
H41	C4	H42	107.3°	109.5°
C6	C5	H51	103.9°	109.5°
C6	C5	H52	102.2°	109.4°
C5	C6	C7	108.3°	109.4°
C5	C6	H61	105.9°	109.5°
C5	C6	H62	108.7°	109.4°
H51	C5	H52	111.8°	109.5°
C7	C6	H61	115.2°	109.5°
C7	C6	H62	109.8°	109.5°
C6	C7	C8	113.2°	109.4°
C6	C7	H71	104.1°	109.5°
C6	C7	H72	113.7°	109.5°
H61	C6	H62	108.9°	109.5°
C8	C7	H71	104.1°	109.4°
C8	C7	H72	109.0°	109.4°
C7	C8	C9	110.3°	109.5°
C7	C8	H81	114.3°	109.4°
C7	C8	H82	107.2°	109.5°
H71	C7	H72	112.3°	109.5°
C9	C8	H81	108.0°	109.5°
C9	C8	H82	109.4°	109.5°
C8	C9	CA	108.6°	109.5°
C8	C9	H91	111.9°	109.5°
C8	C9	H92	107.8°	109.5°
H81	C8	H82	107.4°	109.5°
CA	C9	H91	107.1°	109.5°
CA	C9	H92	114.1°	109.4°
C9	CA	CB	108.1°	109.5°
C9	CA	HA1	107.6°	109.5°
C9	CA	HA2	111.9°	109.5°
H91	C9	H92	107.4°	109.4°
CB	CA	HA1	108.0°	109.5°
CB	CA	HA2	111.6°	109.5°
CA	CB	CC	112.4°	109.5°
CA	CB	HB1	106.7°	109.4°
CA	CB	HB2	110.8°	109.5°
HA1	CA	HA2	109.6°	109.4°
CC	CB	HB1	114.2°	109.5°
CC	CB	HB2	107.2°	109.5°
CB	CC	CD	111.1°	109.5°
CB	CC	HC1	113.0°	109.4°
CB	CC	HC2	110.7°	109.5°
HB1	CB	HB2	105.2°	109.5°
CD	CC	HC1	106.3°	109.5°
CD	CC	HC2	106.8°	109.5°
CC	CD	CE	108.5°	109.5°
CC	CD	HD1	106.1°	109.4°
CC	CD	HD2	110.4°	109.4°
HC1	CC	HC2	108.7°	109.5°
CE	CD	HD1	106.4°	109.5°
CE	CD	HD2	113.2°	109.5°
CD	CE	CF	113.4°	109.5°
CD	CE	HE1	100.6°	109.5°
CD	CE	HE2	108.2°	109.5°
HD1	CD	HD2	111.8°	109.5°
CF	CE	HE1	121.6°	109.5°
CF	CE	HE2	104.6°	109.5°
CE	CF	CG	114.4°	109.5°
CE	CF	HF1	109.1°	109.4°
CE	CF	HF2	110.3°	109.5°
HE1	CE	HE2	108.0°	109.5°
CG	CF	HF1	101.6°	109.5°
CG	CF	HF2	109.1°	109.5°
CF	CG	HG1	103.1°	109.5°
CF	CG	HG2	113.7°	109.5°
CF	CG	HG3	108.2°	109.5°
HF1	CF	HF2	112.1°	109.5°
HG1	CG	HG2	110.3°	109.5°
HG1	CG	HG3	112.1°	109.5°
HG2	CG	HG3	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	C2	H11	180.0°	180.0°
O2	C1	C2	C3	16.0°	125.0°
O2	C1	C2	H21	140.0°	5.0°
O2	C1	C2	H22	99.4°	115.0°
C1	C2	C3	H21	123.6°	120.0°
C1	C2	C3	H22	111.9°	120.1°
C1	C2	H21	H22	113.3°	120.0°
C1	C2	C3	C4	165.8°	180.0°
C1	C2	C3	H31	68.0°	60.1°
C1	C2	C3	H32	46.0°	59.9°
H11	C1	C2	C3	164.0°	55.1°
H11	C1	C2	H21	40.0°	175.0°
H11	C1	C2	H22	80.7°	65.0°
C3	C2	H21	H22	121.1°	120.0°
C2	C3	C4	H31	120.2°	119.9°
C2	C3	C4	H32	119.6°	120.1°
C2	C3	H31	H32	115.7°	120.0°
C2	C3	C4	C5	57.4°	180.0°
C2	C3	C4	H41	175.2°	60.1°
C2	C3	C4	H42	63.9°	60.0°
H21	C2	C3	C4	42.3°	60.0°
H21	C2	C3	H31	168.4°	180.0°
H21	C2	C3	H32	77.5°	60.0°
H22	C2	C3	C4	82.3°	59.9°
H22	C2	C3	H31	43.9°	60.0°
H22	C2	C3	H32	157.9°	NaN°
C4	C3	H31	H32	121.6°	120.0°
C3	C4	C5	H41	121.3°	119.9°
C3	C4	C5	H42	123.9°	120.0°
C3	C4	H41	H42	123.9°	120.0°
C3	C4	C5	C6	155.8°	180.0°
C3	C4	C5	H51	41.0°	60.0°
C3	C4	C5	H52	88.1°	60.0°
H31	C3	C4	C5	177.6°	60.0°
H31	C3	C4	H41	64.6°	NaN°
H31	C3	C4	H42	56.3°	60.0°
H32	C3	C4	C5	62.2°	60.0°
H32	C3	C4	H41	55.6°	60.0°
H32	C3	C4	H42	176.4°	180.0°
C5	C4	H41	H42	115.4°	120.0°
C4	C5	C6	H51	119.0°	120.0°
C4	C5	C6	H52	124.6°	120.0°
C4	C5	H51	H52	131.5°	120.1°
C4	C5	C6	C7	66.0°	180.0°
C4	C5	C6	H61	170.0°	60.0°
C4	C5	C6	H62	53.2°	60.1°
H41	C4	C5	C6	34.5°	60.0°
H41	C4	C5	H51	80.3°	180.0°
H41	C4	C5	H52	150.6°	59.9°
H42	C4	C5	C6	80.3°	60.0°
H42	C4	C5	H51	164.9°	60.0°
H42	C4	C5	H52	35.8°	180.0°
C6	C5	H51	H52	109.5°	119.9°
C5	C6	C7	H61	118.2°	120.0°
C5	C6	C7	H62	118.5°	119.9°
C5	C6	H61	H62	116.7°	120.0°
C5	C6	C7	C8	143.8°	180.0°
C5	C6	C7	H71	103.8°	60.0°
C5	C6	C7	H72	18.7°	60.1°
H51	C5	C6	C7	175.1°	60.0°
H51	C5	C6	H61	51.1°	180.0°
H51	C5	C6	H62	65.8°	60.0°
H52	C5	C6	C7	58.7°	60.0°
H52	C5	C6	H61	65.4°	60.0°
H52	C5	C6	H62	177.8°	179.9°
C7	C6	H61	H62	123.8°	120.0°
C6	C7	C8	H71	112.3°	120.0°
C6	C7	C8	H72	127.6°	120.0°
C6	C7	H71	H72	123.4°	120.1°
C6	C7	C8	C9	61.5°	180.0°
C6	C7	C8	H81	60.5°	60.0°
C6	C7	C8	H82	179.4°	60.0°
H61	C6	C7	C8	25.6°	60.0°
H61	C6	C7	H71	138.0°	180.0°
H61	C6	C7	H72	99.6°	59.9°
H62	C6	C7	C8	97.7°	60.0°
H62	C6	C7	H71	14.6°	59.9°
H62	C6	C7	H72	137.1°	180.0°
C8	C7	H71	H72	117.8°	120.0°
C7	C8	C9	H81	125.6°	120.0°
C7	C8	C9	H82	117.8°	120.0°
C7	C8	H81	H82	118.8°	120.0°
C7	C8	C9	CA	79.6°	180.0°
C7	C8	C9	H91	38.4°	60.0°
C7	C8	C9	H92	156.2°	60.0°
H71	C7	C8	C9	173.8°	60.0°
H71	C7	C8	H81	51.9°	180.0°
H71	C7	C8	H82	67.1°	60.0°
H72	C7	C8	C9	66.2°	60.0°
H72	C7	C8	H81	171.9°	60.0°
H72	C7	C8	H82	52.9°	180.0°
C9	C8	H81	H82	118.0°	120.0°
C8	C9	CA	H91	121.0°	120.1°
C8	C9	CA	H92	120.3°	120.0°
C8	C9	H91	H92	118.1°	120.0°
C8	C9	CA	CB	158.2°	180.0°
C8	C9	CA	HA1	85.4°	60.0°
C8	C9	CA	HA2	35.1°	60.0°
H81	C8	C9	CA	154.8°	60.0°
H81	C8	C9	H91	87.2°	179.9°
H81	C8	C9	H92	30.7°	60.0°
H82	C8	C9	CA	38.1°	60.0°
H82	C8	C9	H91	156.1°	60.0°
H82	C8	C9	H92	86.0°	180.0°
CA	C9	H91	H92	123.0°	119.9°
C9	CA	CB	HA1	116.1°	120.0°
C9	CA	CB	HA2	123.4°	120.0°
C9	CA	HA1	HA2	121.9°	120.0°
C9	CA	CB	CC	139.4°	180.0°
C9	CA	CB	HB1	94.6°	60.0°
C9	CA	CB	HB2	19.5°	60.0°
H91	C9	CA	CB	80.8°	59.9°
H91	C9	CA	HA1	35.6°	180.0°
H91	C9	CA	HA2	156.0°	60.1°
H92	C9	CA	CB	37.9°	60.0°
H92	C9	CA	HA1	154.3°	60.1°
H92	C9	CA	HA2	85.2°	180.0°
CB	CA	HA1	HA2	121.7°	120.0°
CA	CB	CC	HB1	121.8°	120.0°
CA	CB	CC	HB2	122.0°	120.0°
CA	CB	HB1	HB2	117.8°	120.0°
CA	CB	CC	CD	50.8°	180.0°
CA	CB	CC	HC1	68.6°	60.0°
CA	CB	CC	HC2	169.2°	60.0°
HA1	CA	CB	CC	104.5°	60.0°
HA1	CA	CB	HB1	21.5°	180.0°
HA1	CA	CB	HB2	135.6°	60.0°
HA2	CA	CB	CC	16.0°	60.0°
HA2	CA	CB	HB1	142.0°	60.0°
HA2	CA	CB	HB2	103.9°	180.0°
CC	CB	HB1	HB2	117.3°	120.0°
CB	CC	CD	HC1	123.3°	120.0°
CB	CC	CD	HC2	120.8°	120.0°
CB	CC	HC1	HC2	123.3°	120.0°
CB	CC	CD	CE	50.2°	180.0°
CB	CC	CD	HD1	63.9°	60.0°
CB	CC	CD	HD2	174.8°	60.0°
HB1	CB	CC	CD	71.1°	60.0°
HB1	CB	CC	HC1	169.6°	180.0°
HB1	CB	CC	HC2	47.4°	60.0°
HB2	CB	CC	CD	172.8°	60.0°
HB2	CB	CC	HC1	53.4°	60.0°
HB2	CB	CC	HC2	68.7°	180.0°
CD	CC	HC1	HC2	114.6°	120.0°
CC	CD	CE	HD1	113.8°	120.0°
CC	CD	CE	HD2	123.0°	120.0°
CC	CD	HD1	HD2	120.5°	119.9°
CC	CD	CE	CF	118.8°	180.0°
CC	CD	CE	HE1	109.9°	60.0°
CC	CD	CE	HE2	3.2°	60.0°
HC1	CC	CD	CE	173.5°	60.0°
HC1	CC	CD	HD1	59.5°	179.9°
HC1	CC	CD	HD2	61.9°	60.0°
HC2	CC	CD	CE	70.6°	60.0°
HC2	CC	CD	HD1	175.3°	60.1°
HC2	CC	CD	HD2	54.0°	180.0°
CE	CD	HD1	HD2	124.1°	120.0°
CD	CE	CF	HE1	120.0°	120.0°
CD	CE	CF	HE2	117.6°	120.0°
CD	CE	HE1	HE2	113.2°	120.0°
CD	CE	CF	CG	50.5°	180.0°
CD	CE	CF	HF1	163.6°	60.0°
CD	CE	CF	HF2	72.8°	60.0°
HD1	CD	CE	CF	127.4°	60.0°
HD1	CD	CE	HE1	4.0°	180.0°
HD1	CD	CE	HE2	117.1°	60.0°
HD2	CD	CE	CF	4.2°	60.0°
HD2	CD	CE	HE1	127.2°	60.0°
HD2	CD	CE	HE2	119.7°	180.0°
CF	CE	HE1	HE2	120.7°	120.0°
CE	CF	CG	HF1	117.4°	120.0°
CE	CF	CG	HF2	124.0°	120.0°
CE	CF	HF1	HF2	122.5°	120.0°
CE	CF	CG	HG1	53.6°	60.0°
CE	CF	CG	HG2	65.7°	180.0°
CE	CF	CG	HG3	172.5°	60.0°
HE1	CE	CF	CG	69.5°	60.0°
HE1	CE	CF	HF1	43.6°	180.0°
HE1	CE	CF	HF2	167.2°	60.0°
HE2	CE	CF	CG	168.2°	60.0°
HE2	CE	CF	HF1	78.8°	60.0°
HE2	CE	CF	HF2	44.8°	180.0°
CG	CF	HF1	HF2	116.3°	120.0°
CF	CG	HG1	HG2	121.7°	120.1°
CF	CG	HG1	HG3	116.2°	120.0°
CF	CG	HG2	HG3	121.1°	120.0°
HF1	CF	CG	HG1	63.8°	179.9°
HF1	CF	CG	HG2	176.8°	60.0°
HF1	CF	CG	HG3	55.1°	59.9°
HF2	CF	CG	HG1	177.6°	60.0°
HF2	CF	CG	HG2	58.3°	60.0°
HF2	CF	CG	HG3	63.5°	180.0°
HG1	CG	HG2	HG3	123.7°	120.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	PLM
Derived from:	1ACA