D2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	O29	sing	1.36Å	1.37Å
O29	HO29	sing	0.97Å	0.95Å
C26	C28	doub	1.39Å	1.39Å	Aromatic
C28	C24	sing	1.39Å	1.40Å	Aromatic
O32	C26	sing	1.36Å	1.37Å
C23	C26	sing	1.39Å	1.40Å	Aromatic
C34	O32	sing	1.43Å	1.43Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C34	H34B	sing	1.09Å	1.10Å
C23	C21	doub	1.39Å	1.39Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
O20	C21	sing	1.36Å	1.37Å
C21	C22	sing	1.39Å	1.39Å	Aromatic
C22	C24	doub	1.39Å	1.40Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C24	O31	sing	1.36Å	1.38Å
O31	C33	sing	1.43Å	1.43Å
C33	H33	sing	1.09Å	1.10Å
C33	H33A	sing	1.09Å	1.10Å
C33	H33B	sing	1.09Å	1.10Å
C3	O20	sing	1.36Å	1.37Å
C4	C3	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.39Å	Aromatic
O10	C4	sing	1.36Å	1.37Å
C5	C4	sing	1.39Å	1.40Å	Aromatic
C11	O10	sing	1.43Å	1.43Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C11	H11B	sing	1.09Å	1.10Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C1	sing	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	O15	sing	1.36Å	1.37Å
O15	C16	sing	1.43Å	1.46Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C16	H16B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C28	O29	HO29	109.5°	114.0°
O29	C28	C26	119.0°	120.0°
O29	C28	C24	120.7°	120.0°
C26	C28	C24	120.2°	119.9°
C28	C26	O32	120.0°	120.0°
C28	C26	C23	120.0°	120.0°
C28	C24	C22	119.6°	120.0°
C28	C24	O31	121.4°	120.0°
O32	C26	C23	120.0°	120.0°
C26	O32	C34	120.7°	117.0°
C26	C23	C21	120.1°	120.0°
C26	C23	H23	119.9°	120.0°
O32	C34	H34	109.5°	109.5°
O32	C34	H34A	109.4°	109.4°
O32	C34	H34B	109.5°	109.5°
H34	C34	H34A	109.5°	109.5°
H34	C34	H34B	109.5°	109.5°
H34A	C34	H34B	109.5°	109.5°
C21	C23	H23	120.0°	120.0°
C23	C21	O20	119.7°	120.0°
C23	C21	C22	119.7°	120.1°
O20	C21	C22	120.5°	119.9°
C21	O20	C3	124.1°	118.0°
C21	C22	C24	120.4°	120.0°
C21	C22	H22	119.8°	120.0°
C24	C22	H22	119.8°	120.0°
C22	C24	O31	118.9°	120.0°
C24	O31	C33	123.6°	117.0°
O31	C33	H33	109.5°	109.4°
O31	C33	H33A	109.5°	109.5°
O31	C33	H33B	109.5°	109.5°
H33	C33	H33A	109.4°	109.5°
H33	C33	H33B	109.5°	109.4°
H33A	C33	H33B	109.5°	109.5°
O20	C3	C4	119.9°	120.0°
O20	C3	C2	119.9°	120.1°
C4	C3	C2	120.1°	119.9°
C3	C4	O10	120.3°	120.1°
C3	C4	C5	120.0°	119.9°
C3	C2	C1	119.9°	119.8°
C3	C2	O15	120.1°	120.1°
O10	C4	C5	119.7°	120.0°
C4	O10	C11	121.1°	117.0°
C4	C5	C6	120.1°	120.1°
C4	C5	H5	119.9°	120.0°
O10	C11	H11	109.5°	109.4°
O10	C11	H11A	109.5°	109.5°
O10	C11	H11B	109.5°	109.4°
H11	C11	H11A	109.5°	109.5°
H11	C11	H11B	109.5°	109.5°
H11A	C11	H11B	109.5°	109.5°
C6	C5	H5	119.9°	120.0°
C5	C6	C1	119.7°	120.2°
C5	C6	H6	120.1°	119.8°
C1	C6	H6	120.2°	120.0°
C6	C1	C2	120.2°	120.1°
C6	C1	H1	119.9°	120.0°
C2	C1	H1	119.9°	119.9°
C1	C2	O15	120.0°	120.1°
C2	O15	C16	121.4°	117.0°
O15	C16	H16	109.5°	109.5°
O15	C16	H16A	109.5°	109.5°
O15	C16	H16B	109.5°	109.5°
H16	C16	H16A	109.4°	109.5°
H16	C16	H16B	109.4°	109.5°
H16A	C16	H16B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O29	C28	C26	C24	179.6°	179.7°
O29	C28	C26	O32	0.0°	0.1°
O29	C28	C26	C23	179.8°	180.0°
O29	C28	C24	C22	179.9°	179.7°
O29	C28	C24	O31	1.0°	0.1°
HO29	O29	C28	C26	168.4°	89.7°
HO29	O29	C28	C24	11.2°	90.0°
C28	C26	O32	C23	179.8°	180.0°
C28	C26	O32	C34	80.5°	180.0°
C28	C26	C23	C21	0.4°	0.0°
C28	C26	C23	H23	179.6°	179.9°
C26	C28	C24	C22	0.6°	0.6°
C26	C28	C24	O31	179.4°	179.7°
C24	C28	C26	O32	179.5°	179.7°
C24	C28	C26	C23	0.3°	0.3°
C28	C24	C22	C21	0.1°	0.6°
C28	C24	C22	O31	178.9°	179.7°
C28	C24	C22	H22	179.8°	179.7°
C28	C24	O31	C33	71.4°	179.9°
C26	O32	C34	H34	149.6°	60.0°
C26	O32	C34	H34A	29.6°	60.0°
C26	O32	C34	H34B	90.3°	180.0°
O32	C26	C23	C21	179.8°	180.0°
O32	C26	C23	H23	0.2°	0.0°
C23	C26	O32	C34	99.7°	0.0°
C26	C23	C21	H23	180.0°	179.9°
C26	C23	C21	O20	179.2°	180.0°
C26	C23	C21	C22	0.8°	0.0°
O32	C34	H34	H34A	120.0°	119.9°
O32	C34	H34	H34B	120.0°	120.0°
O32	C34	H34A	H34B	120.0°	120.0°
H34	C34	H34A	H34B	120.0°	120.1°
C23	C21	O20	C22	178.4°	180.0°
C23	C21	C22	C24	0.5°	0.3°
C23	C21	C22	H22	179.5°	180.0°
C23	C21	O20	C3	103.8°	180.0°
H23	C23	C21	O20	0.8°	0.1°
H23	C23	C21	C22	179.2°	179.9°
O20	C21	C22	C24	178.9°	179.7°
O20	C21	C22	H22	1.1°	0.0°
C21	O20	C3	C4	89.8°	89.8°
C21	O20	C3	C2	91.5°	90.0°
C21	C22	C24	H22	180.0°	179.7°
C21	C22	C24	O31	179.0°	179.7°
C22	C21	O20	C3	77.8°	0.0°
C22	C24	O31	C33	109.7°	0.3°
H22	C22	C24	O31	0.9°	0.0°
C24	O31	C33	H33	171.4°	60.0°
C24	O31	C33	H33A	51.4°	180.0°
C24	O31	C33	H33B	68.6°	60.0°
O31	C33	H33	H33A	120.0°	120.0°
O31	C33	H33	H33B	120.0°	120.0°
O31	C33	H33A	H33B	120.0°	120.1°
H33	C33	H33A	H33B	120.0°	120.0°
O20	C3	C4	C2	178.7°	179.8°
O20	C3	C4	O10	1.1°	0.0°
O20	C3	C4	C5	179.4°	180.0°
O20	C3	C2	C1	179.3°	179.8°
O20	C3	C2	O15	0.6°	0.1°
C3	C4	O10	C5	179.4°	180.0°
C3	C4	O10	C11	90.2°	180.0°
C3	C4	C5	C6	0.4°	0.0°
C3	C4	C5	H5	179.6°	180.0°
C4	C3	C2	C1	0.6°	0.5°
C4	C3	C2	O15	179.3°	179.7°
C2	C3	C4	O10	179.8°	179.8°
C2	C3	C4	C5	0.7°	0.2°
C3	C2	C1	C6	0.1°	0.5°
C3	C2	C1	O15	179.9°	179.8°
C3	C2	C1	H1	179.9°	179.8°
C3	C2	O15	C16	123.1°	180.0°
C4	O10	C11	H11	61.2°	60.0°
C4	O10	C11	H11A	58.8°	60.0°
C4	O10	C11	H11B	178.8°	180.0°
O10	C4	C5	C6	179.8°	180.0°
O10	C4	C5	H5	0.2°	0.0°
C5	C4	O10	C11	90.4°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	H6	179.9°	179.9°
O10	C11	H11	H11A	120.0°	120.0°
O10	C11	H11	H11B	120.0°	120.0°
O10	C11	H11A	H11B	120.0°	119.9°
H11	C11	H11A	H11B	120.0°	120.1°
C5	C6	C1	H6	180.0°	179.9°
C5	C6	C1	C2	0.2°	0.3°
C5	C6	C1	H1	179.8°	180.0°
H5	C5	C6	C1	179.9°	180.0°
H5	C5	C6	H6	0.1°	0.1°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	O15	179.8°	179.7°
H6	C6	C1	C2	179.8°	179.8°
H6	C6	C1	H1	0.2°	0.1°
C1	C2	O15	C16	57.0°	0.2°
H1	C1	C2	O15	0.2°	0.0°
C2	O15	C16	H16	3.5°	180.0°
C2	O15	C16	H16A	123.5°	60.0°
C2	O15	C16	H16B	116.5°	60.0°
O15	C16	H16	H16A	120.0°	120.0°
O15	C16	H16	H16B	120.0°	120.0°
O15	C16	H16A	H16B	120.0°	120.0°
H16	C16	H16A	H16B	120.0°	120.0°

Definition date:	2009-01-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3FU7