036

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.55Å
C1	O8	doub	1.21Å	1.26Å
C1	O9	sing	1.34Å	1.27Å
C2	C3	sing	1.53Å	1.53Å
C2	O10	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.54Å
C4	C5	sing	1.53Å	1.51Å
C5	C6	sing	1.53Å	1.51Å
C6	C7	sing	1.53Å	1.54Å
C7	O11	sing	1.43Å	1.38Å
O10	P12	sing	1.61Å	1.55Å
O11	P16	sing	1.61Å	1.59Å
P12	O13	sing	1.61Å	1.53Å
P12	O14	doub	1.48Å	1.45Å
P12	O15	sing	1.61Å	1.53Å
P16	O17	sing	1.61Å	1.52Å
P16	O18	sing	1.61Å	1.59Å
P16	O19	doub	1.48Å	1.47Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
O13	HO13	sing	0.97Å	0.95Å
O15	HO15	sing	0.97Å	0.95Å
O17	HO17	sing	0.97Å	0.95Å
O18	HO18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O8	116.2°	120.0°
C2	C1	O9	117.1°	120.0°
C1	C2	C3	110.6°	109.5°
C1	C2	O10	108.4°	109.5°
C1	C2	H2	111.1°	109.5°
O8	C1	O9	126.6°	120.0°
C1	O9	HO9	109.5°	117.1°
C3	C2	O10	114.0°	109.4°
C2	C3	C4	105.8°	109.5°
C3	C2	H2	105.2°	109.5°
C2	C3	H3	110.7°	109.4°
C2	C3	H3A	110.7°	109.4°
C2	O10	P12	128.1°	123.0°
O10	C2	H2	107.5°	109.4°
C3	C4	C5	113.0°	109.5°
C4	C3	H3	110.7°	109.5°
C4	C3	H3A	110.7°	109.5°
C3	C4	H4	108.3°	109.5°
C3	C4	H4A	108.3°	109.5°
C4	C5	C6	110.2°	109.5°
C5	C4	H4	108.3°	109.5°
C5	C4	H4A	108.3°	109.4°
C4	C5	H5	109.2°	109.4°
C4	C5	H5A	109.2°	109.4°
C5	C6	C7	106.2°	109.5°
C6	C5	H5	109.3°	109.5°
C6	C5	H5A	109.2°	109.5°
C5	C6	H6	110.6°	109.5°
C5	C6	H6A	110.6°	109.5°
C6	C7	O11	104.5°	109.5°
C7	C6	H6	110.6°	109.5°
C7	C6	H6A	110.6°	109.5°
C6	C7	H7	111.2°	109.4°
C6	C7	H7A	111.2°	109.4°
C7	O11	P16	123.4°	123.0°
O11	C7	H7	111.2°	109.4°
O11	C7	H7A	111.2°	109.5°
O10	P12	O13	102.5°	109.5°
O10	P12	O14	116.5°	109.5°
O10	P12	O15	109.8°	109.5°
O11	P16	O17	104.8°	109.5°
O11	P16	O18	107.6°	109.5°
O11	P16	O19	110.8°	109.5°
O13	P12	O14	109.5°	109.5°
O13	P12	O15	104.4°	109.5°
P12	O13	HO13	109.5°	114.0°
O14	P12	O15	113.0°	109.5°
P12	O15	HO15	109.5°	114.0°
O17	P16	O18	100.8°	109.5°
O17	P16	O19	116.6°	109.5°
P16	O17	HO17	109.5°	114.0°
O18	P16	O19	115.2°	109.5°
P16	O18	HO18	109.5°	114.0°
H3	C3	H3A	108.2°	109.5°
H4	C4	H4A	110.6°	109.4°
H5	C5	H5A	109.7°	109.5°
H6	C6	H6A	108.3°	109.4°
H7	C7	H7A	107.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O8	O9	175.8°	179.8°
C1	C2	C3	O10	122.4°	120.0°
C1	C2	C3	H2	120.1°	120.0°
C1	C2	O10	H2	120.2°	120.0°
C1	C2	C3	C4	84.5°	175.0°
C1	C2	O10	P12	167.6°	120.0°
C1	C2	C3	H3	35.5°	55.0°
C1	C2	C3	H3A	155.5°	65.0°
C2	C1	O9	HO9	175.8°	180.0°
O8	C1	C2	C3	59.3°	115.0°
O8	C1	C2	O10	175.1°	5.0°
O8	C1	C2	H2	57.2°	125.0°
O8	C1	O9	HO9	0.0°	0.2°
O9	C1	C2	C3	124.6°	64.8°
O9	C1	C2	O10	1.1°	175.3°
O9	C1	C2	H2	119.0°	55.3°
C3	C2	O10	H2	116.1°	120.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	120.0°	120.0°
C2	C3	C4	C5	137.0°	180.0°
C3	C2	O10	P12	44.0°	120.0°
C2	C3	H3	H3A	121.5°	119.9°
C2	C3	C4	H4	17.0°	60.0°
C2	C3	C4	H4A	103.0°	60.0°
O10	C2	C3	C4	153.1°	65.0°
C2	O10	P12	O13	157.1°	64.9°
C2	O10	P12	O14	37.6°	55.1°
C2	O10	P12	O15	92.4°	175.0°
O10	C2	C3	H3	87.0°	175.0°
O10	C2	C3	H3A	33.1°	55.1°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	120.0°	120.0°
C3	C4	C5	C6	173.1°	180.0°
C4	C3	C2	H2	35.6°	55.0°
C4	C3	H3	H3A	121.5°	120.1°
C3	C4	H4	H4A	118.5°	120.1°
C3	C4	C5	H5	66.9°	60.0°
C3	C4	C5	H5A	53.1°	60.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	120.0°	120.0°
C4	C5	C6	C7	144.1°	180.0°
C5	C4	C3	H3	103.0°	60.0°
C5	C4	C3	H3A	17.0°	60.0°
C5	C4	H4	H4A	118.5°	119.9°
C4	C5	H5	H5A	119.7°	119.9°
C4	C5	C6	H6	24.1°	60.0°
C4	C5	C6	H6A	95.9°	60.0°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.0°	120.0°
C5	C6	C7	O11	174.1°	180.0°
C6	C5	C4	H4	53.1°	60.0°
C6	C5	C4	H4A	66.9°	60.0°
C6	C5	H5	H5A	119.7°	120.1°
C5	C6	H6	H6A	121.3°	120.0°
C5	C6	C7	H7	54.1°	60.0°
C5	C6	C7	H7A	65.9°	60.0°
C6	C7	O11	H7	120.0°	120.0°
C6	C7	O11	H7A	120.0°	120.0°
C6	C7	O11	P16	159.4°	180.0°
C7	C6	C5	H5	95.9°	60.0°
C7	C6	C5	H5A	24.1°	60.0°
C7	C6	H6	H6A	121.3°	120.0°
C6	C7	H7	H7A	122.1°	120.0°
C7	O11	P16	O17	38.8°	65.0°
C7	O11	P16	O18	67.8°	175.0°
C7	O11	P16	O19	165.4°	55.0°
O11	C7	C6	H6	65.9°	60.0°
O11	C7	C6	H6A	54.1°	60.0°
O11	C7	H7	H7A	122.0°	120.1°
O10	P12	O13	O14	124.2°	120.0°
O10	P12	O13	O15	114.5°	120.0°
O10	P12	O14	O15	128.5°	120.0°
P12	O10	C2	H2	72.2°	0.0°
O10	P12	O13	HO13	124.2°	60.0°
O10	P12	O15	HO15	131.9°	180.0°
O11	P16	O17	O18	111.7°	120.0°
O11	P16	O17	O19	122.9°	120.0°
O11	P16	O18	O19	124.1°	120.0°
P16	O11	C7	H7	39.4°	60.1°
P16	O11	C7	H7A	80.6°	60.0°
O11	P16	O17	HO17	122.9°	60.0°
O11	P16	O18	HO18	124.1°	179.9°
O13	P12	O14	O15	115.9°	120.0°
O13	P12	O15	HO15	119.0°	60.0°
O14	P12	O13	HO13	0.0°	180.0°
O14	P12	O15	HO15	0.0°	60.0°
O15	P12	O13	HO13	121.3°	60.0°
O17	P16	O18	O19	126.4°	120.0°
O17	P16	O18	HO18	126.4°	60.1°
O18	P16	O17	HO17	125.5°	60.0°
O19	P16	O17	HO17	0.0°	180.0°
O19	P16	O18	HO18	0.0°	59.9°
H2	C2	C3	H3	155.6°	65.0°
H2	C2	C3	H3A	84.4°	175.0°
H3	C3	C4	H4	137.0°	180.0°
H3	C3	C4	H4A	17.0°	60.0°
H3A	C3	C4	H4	103.0°	60.0°
H3A	C3	C4	H4A	137.0°	180.0°
H4	C4	C5	H5	173.1°	180.0°
H4	C4	C5	H5A	66.9°	60.1°
H4A	C4	C5	H5	53.1°	60.0°
H4A	C4	C5	H5A	173.1°	180.0°
H5	C5	C6	H6	144.1°	179.9°
H5	C5	C6	H6A	24.1°	60.0°
H5A	C5	C6	H6	95.9°	60.0°
H5A	C5	C6	H6A	144.1°	180.0°
H6	C6	C7	H7	174.1°	180.0°
H6	C6	C7	H7A	54.1°	60.0°
H6A	C6	C7	H7	65.9°	60.0°
H6A	C6	C7	H7A	174.1°	180.0°

Definition date:	2010-11-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3PFP