DMV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.51Å
C1	O11	sing	1.34Å	1.20Å
C1	O12	doub	1.21Å	1.20Å
C2	C3	sing	1.53Å	1.55Å
C2	O21	sing	1.43Å	1.24Å
C2	H2	sing	1.09Å	1.11Å
C3	C32	sing	1.53Å	1.52Å
C3	C4	sing	1.53Å	1.59Å
C3	O31	sing	1.43Å	1.42Å
C32	H323	sing	1.09Å	1.11Å
C32	H322	sing	1.09Å	1.11Å
C32	H321	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.45Å
C4	H42	sing	1.09Å	1.12Å
C4	H41	sing	1.09Å	1.12Å
C5	H53	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.11Å
C5	H51	sing	1.09Å	1.12Å
O11	H1O	sing	0.97Å	0.95Å
O21	H21	sing	0.97Å	0.95Å
O31	H31	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O11	122.1°	120.0°
C2	C1	O12	118.9°	120.1°
C1	C2	C3	112.0°	109.5°
C1	C2	O21	103.4°	109.4°
C1	C2	H2	112.8°	109.5°
O11	C1	O12	119.0°	120.0°
C1	O11	H1O	122.0°	120.0°
C3	C2	O21	112.3°	109.5°
C3	C2	H2	104.1°	109.4°
C2	C3	C32	117.7°	109.5°
C2	C3	C4	111.1°	109.5°
C2	C3	O31	105.5°	109.5°
O21	C2	H2	112.6°	109.5°
C2	O21	H21	103.4°	106.8°
C32	C3	C4	110.2°	109.5°
C32	C3	O31	103.7°	109.4°
C3	C32	H323	117.7°	109.5°
C3	C32	H322	109.2°	109.5°
C3	C32	H321	109.2°	109.6°
C4	C3	O31	107.9°	109.5°
C3	C4	C5	122.9°	109.5°
C3	C4	H42	107.5°	109.5°
C3	C4	H41	107.5°	109.4°
C3	O31	H31	105.5°	106.8°
H323	C32	H322	109.3°	109.4°
H323	C32	H321	109.2°	109.4°
H322	C32	H321	100.9°	109.5°
C5	C4	H42	107.4°	109.4°
C5	C4	H41	107.5°	109.5°
C4	C5	H53	122.9°	109.5°
C4	C5	H52	107.5°	109.4°
C4	C5	H51	107.5°	109.4°
H42	C4	H41	102.3°	109.5°
H53	C5	H52	107.4°	109.5°
H53	C5	H51	107.4°	109.5°
H52	C5	H51	102.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O11	O12	179.3°	180.0°
C1	C2	C3	O21	115.9°	120.0°
C1	C2	C3	H2	122.2°	120.0°
C1	C2	O21	H2	122.0°	120.0°
C1	C2	C3	C32	66.9°	60.0°
C1	C2	C3	C4	61.4°	180.0°
C1	C2	C3	O31	178.1°	60.0°
C2	C1	O11	H1O	180.0°	180.0°
C1	C2	O21	H21	180.0°	60.0°
O11	C1	C2	C3	59.5°	60.0°
O11	C1	C2	O21	179.4°	180.0°
O11	C1	C2	H2	57.5°	60.0°
O12	C1	C2	C3	119.8°	120.0°
O12	C1	C2	O21	1.3°	0.0°
O12	C1	C2	H2	123.2°	120.0°
O12	C1	O11	H1O	0.7°	0.0°
C3	C2	O21	H2	117.0°	120.0°
C2	C3	C32	C4	128.7°	120.1°
C2	C3	C32	O31	116.0°	119.9°
C2	C3	C4	O31	115.2°	120.0°
C2	C3	C32	H323	180.0°	60.0°
C2	C3	C32	H322	54.7°	180.0°
C2	C3	C32	H321	54.8°	59.9°
C2	C3	C4	C5	179.3°	180.0°
C2	C3	C4	H42	54.0°	60.0°
C2	C3	C4	H41	55.4°	60.0°
C3	C2	O21	H21	59.0°	60.0°
C2	C3	O31	H31	180.0°	60.1°
O21	C2	C3	C32	177.3°	60.0°
O21	C2	C3	C4	54.4°	60.0°
O21	C2	C3	O31	62.2°	179.9°
H2	C2	C3	C32	55.3°	180.0°
H2	C2	C3	C4	176.4°	60.0°
H2	C2	C3	O31	59.8°	60.1°
H2	C2	O21	H21	58.0°	180.0°
C32	C3	C4	O31	112.6°	119.9°
C3	C32	H323	H322	125.3°	120.0°
C3	C32	H323	H321	125.2°	120.1°
C3	C32	H322	H321	115.0°	120.1°
C32	C3	C4	C5	47.1°	60.0°
C32	C3	C4	H42	78.2°	180.0°
C32	C3	C4	H41	172.4°	60.1°
C32	C3	O31	H31	55.7°	180.0°
C4	C3	C32	H323	51.2°	60.1°
C4	C3	C32	H322	176.5°	59.9°
C4	C3	C32	H321	74.0°	180.0°
C3	C4	C5	H42	125.3°	120.0°
C3	C4	C5	H41	125.3°	120.0°
C3	C4	H42	H41	113.0°	120.0°
C3	C4	C5	H53	180.0°	180.0°
C3	C4	C5	H52	54.8°	60.0°
C3	C4	C5	H51	54.8°	59.9°
C4	C3	O31	H31	61.1°	60.0°
O31	C3	C32	H323	64.0°	180.0°
O31	C3	C32	H322	61.3°	60.1°
O31	C3	C32	H321	170.8°	60.0°
O31	C3	C4	C5	65.5°	60.0°
O31	C3	C4	H42	169.2°	60.0°
O31	C3	C4	H41	59.8°	180.0°
H323	C32	H322	H321	115.0°	119.9°
C5	C4	H42	H41	113.0°	120.0°
C4	C5	H53	H52	125.2°	120.0°
C4	C5	H53	H51	125.2°	120.0°
C4	C5	H52	H51	113.0°	119.9°
H42	C4	C5	H53	54.7°	60.0°
H42	C4	C5	H52	180.0°	60.1°
H42	C4	C5	H51	70.5°	180.0°
H41	C4	C5	H53	54.7°	60.0°
H41	C4	C5	H52	70.5°	180.0°
H41	C4	C5	H51	179.9°	60.1°
H53	C5	H52	H51	113.0°	120.0°

Definition date:	1999-09-29
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1QMG