MPD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	O2	sing	1.43Å	1.39Å
C2	CM	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.51Å
O2	HO2	sing	0.97Å	0.95Å
CM	HM1	sing	1.09Å	1.10Å
CM	HM2	sing	1.09Å	1.10Å
CM	HM3	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.43Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	O4	sing	1.43Å	1.34Å
C4	C5	sing	1.53Å	1.52Å
C4	H4	sing	1.09Å	1.10Å
O4	HO4	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C5	H53	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.5°	109.5°
C2	C1	H13	109.4°	109.5°
C1	C2	O2	108.6°	109.4°
C1	C2	CM	106.7°	109.5°
C1	C2	C3	113.4°	109.5°
H11	C1	H12	109.4°	109.4°
H11	C1	H13	109.4°	109.5°
H12	C1	H13	109.5°	109.4°
O2	C2	CM	111.7°	109.5°
O2	C2	C3	108.5°	109.5°
C2	O2	HO2	109.5°	114.0°
CM	C2	C3	107.9°	109.5°
C2	CM	HM1	109.5°	109.5°
C2	CM	HM2	109.5°	109.5°
C2	CM	HM3	109.5°	109.5°
C2	C3	C4	121.4°	109.4°
C2	C3	H31	105.7°	109.5°
C2	C3	H32	105.7°	109.5°
HM1	CM	HM2	109.4°	109.5°
HM1	CM	HM3	109.5°	109.4°
HM2	CM	HM3	109.5°	109.4°
C4	C3	H31	105.7°	109.5°
C4	C3	H32	105.7°	109.5°
C3	C4	O4	122.3°	109.5°
C3	C4	C5	119.0°	109.5°
C3	C4	H4	87.5°	109.5°
H31	C3	H32	112.9°	109.5°
O4	C4	C5	112.6°	109.4°
O4	C4	H4	100.6°	109.5°
C4	O4	HO4	109.5°	114.0°
C5	C4	H4	107.4°	109.5°
C4	C5	H51	109.5°	109.4°
C4	C5	H52	109.5°	109.5°
C4	C5	H53	109.4°	109.5°
H51	C5	H52	109.5°	109.4°
H51	C5	H53	109.5°	109.5°
H52	C5	H53	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H11	H13	120.0°	120.1°
C2	C1	H12	H13	120.0°	120.0°
C1	C2	O2	CM	117.4°	120.0°
C1	C2	O2	C3	123.7°	120.0°
C1	C2	CM	C3	122.3°	120.0°
C1	C2	O2	HO2	180.0°	180.0°
C1	C2	CM	HM1	180.0°	60.0°
C1	C2	CM	HM2	60.0°	180.0°
C1	C2	CM	HM3	60.0°	60.0°
C1	C2	C3	C4	157.4°	60.0°
C1	C2	C3	H31	37.4°	180.0°
C1	C2	C3	H32	82.6°	60.0°
H11	C1	H12	H13	120.0°	120.0°
H11	C1	C2	O2	180.0°	60.0°
H11	C1	C2	CM	59.4°	180.0°
H11	C1	C2	C3	59.3°	60.0°
H12	C1	C2	O2	60.0°	180.0°
H12	C1	C2	CM	179.4°	60.0°
H12	C1	C2	C3	60.7°	60.0°
H13	C1	C2	O2	60.0°	60.0°
H13	C1	C2	CM	60.5°	60.0°
H13	C1	C2	C3	179.2°	180.0°
O2	C2	CM	C3	119.2°	120.0°
O2	C2	CM	HM1	61.5°	180.0°
O2	C2	CM	HM2	178.5°	60.0°
O2	C2	CM	HM3	58.5°	60.0°
O2	C2	C3	C4	36.6°	60.0°
O2	C2	C3	H31	83.4°	60.0°
O2	C2	C3	H32	156.6°	180.0°
CM	C2	O2	HO2	62.6°	60.0°
C2	CM	HM1	HM2	120.0°	120.0°
C2	CM	HM1	HM3	120.0°	120.0°
C2	CM	HM2	HM3	120.0°	120.1°
CM	C2	C3	C4	84.6°	180.0°
CM	C2	C3	H31	155.4°	60.0°
CM	C2	C3	H32	35.4°	60.0°
C3	C2	O2	HO2	56.2°	60.0°
C3	C2	CM	HM1	57.7°	60.0°
C3	C2	CM	HM2	62.3°	60.0°
C3	C2	CM	HM3	177.8°	180.0°
C2	C3	C4	H31	120.0°	119.9°
C2	C3	C4	H32	120.0°	120.0°
C2	C3	H31	H32	115.1°	120.0°
C2	C3	C4	O4	37.4°	65.0°
C2	C3	C4	C5	172.1°	175.0°
C2	C3	C4	H4	63.6°	55.0°
HM1	CM	HM2	HM3	120.0°	119.9°
C4	C3	H31	H32	115.1°	120.1°
C3	C4	O4	C5	152.2°	120.0°
C3	C4	O4	H4	93.8°	120.0°
C3	C4	C5	H4	97.0°	120.0°
C3	C4	O4	HO4	180.0°	60.0°
C3	C4	C5	H51	180.0°	60.0°
C3	C4	C5	H52	60.0°	180.0°
C3	C4	C5	H53	60.0°	60.0°
H31	C3	C4	O4	82.6°	54.9°
H31	C3	C4	C5	67.9°	65.0°
H31	C3	C4	H4	176.4°	174.9°
H32	C3	C4	O4	157.4°	175.0°
H32	C3	C4	C5	52.1°	55.0°
H32	C3	C4	H4	56.4°	65.0°
O4	C4	C5	H4	109.8°	120.0°
O4	C4	C5	H51	26.8°	180.0°
O4	C4	C5	H52	93.2°	60.1°
O4	C4	C5	H53	146.8°	60.0°
C5	C4	O4	HO4	27.8°	60.0°
C4	C5	H51	H52	120.0°	120.0°
C4	C5	H51	H53	120.0°	120.0°
C4	C5	H52	H53	120.0°	120.0°
H4	C4	O4	HO4	86.2°	180.0°
H4	C4	C5	H51	83.0°	60.0°
H4	C4	C5	H52	157.0°	59.9°
H4	C4	C5	H53	37.0°	180.0°
H51	C5	H52	H53	120.0°	120.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB