CIP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.54Å	1.57Å
C1	C6	sing	1.53Å	1.56Å
C1	O1	sing	1.45Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.51Å	1.54Å
C2	C7	sing	1.56Å	1.55Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.53Å
C3	O3	sing	1.43Å	1.41Å
C3	H3	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.40Å
C5	H5	sing	1.09Å	1.11Å
C6	O6	sing	1.43Å	1.41Å
C6	H6	sing	1.09Å	1.12Å
C7	P	sing	1.85Å	1.76Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
O1	P	sing	1.63Å	1.62Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O5	HO5	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
P	O1P	doub	1.48Å	1.62Å
P	O2P	sing	1.61Å	1.62Å
O2P	HOP2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	114.0°	110.3°
C2	C1	O1	103.7°	110.2°
C2	C1	H1	110.2°	109.9°
C1	C2	C3	115.8°	113.3°
C1	C2	C7	108.5°	103.9°
C1	C2	H2	106.4°	109.6°
C6	C1	O1	108.9°	106.7°
C6	C1	H1	105.2°	109.9°
C1	C6	C5	107.9°	110.5°
C1	C6	O6	115.7°	109.2°
C1	C6	H6	104.4°	109.3°
O1	C1	H1	115.1°	109.8°
C1	O1	P	109.1°	106.6°
C3	C2	C7	111.4°	110.9°
C3	C2	H2	103.3°	109.3°
C2	C3	C4	115.3°	111.1°
C2	C3	O3	107.7°	109.1°
C2	C3	H3	106.2°	109.1°
C7	C2	H2	111.3°	109.7°
C2	C7	P	103.9°	98.5°
C2	C7	H71	114.4°	111.5°
C2	C7	H72	114.4°	111.6°
C4	C3	O3	107.6°	109.4°
C4	C3	H3	106.3°	108.8°
C3	C4	C5	107.6°	108.7°
C3	C4	O4	107.1°	109.6°
C3	C4	H4	113.2°	109.6°
O3	C3	H3	114.0°	109.2°
C3	O3	HO3	107.8°	106.8°
C5	C4	O4	112.3°	109.7°
C5	C4	H4	108.2°	109.6°
C4	C5	C6	105.1°	108.8°
C4	C5	O5	106.3°	109.6°
C4	C5	H5	113.3°	109.5°
O4	C4	H4	108.6°	109.6°
C4	O4	HO4	107.1°	106.8°
C6	C5	O5	106.4°	109.8°
C6	C5	H5	113.1°	109.6°
C5	C6	O6	102.5°	109.3°
C5	C6	H6	117.2°	109.3°
O5	C5	H5	112.1°	109.6°
C5	O5	HO5	106.2°	106.8°
O6	C6	H6	109.6°	109.2°
C6	O6	HO6	115.7°	106.8°
P	C7	H71	114.4°	111.6°
P	C7	H72	114.3°	111.7°
C7	P	O1	93.1°	100.9°
C7	P	O1P	118.9°	110.8°
C7	P	O2P	113.0°	110.8°
H71	C7	H72	96.1°	111.4°
O1	P	O1P	113.0°	110.8°
O1	P	O2P	112.4°	110.8°
O1P	P	O2P	106.3°	112.2°
P	O2P	HOP2	113.1°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	O1	115.2°	119.7°
C2	C1	C6	H1	120.8°	121.3°
C2	C1	O1	H1	120.5°	121.2°
C1	C2	C3	C7	124.6°	116.4°
C1	C2	C3	H2	115.9°	122.6°
C1	C2	C7	H2	116.8°	117.1°
C1	C2	C3	C4	29.7°	53.5°
C1	C2	C3	O3	149.8°	174.3°
C1	C2	C3	H3	87.7°	66.5°
C2	C1	C6	C5	50.0°	55.2°
C2	C1	C6	O6	164.1°	175.5°
C2	C1	C6	H6	75.3°	65.1°
C1	C2	C7	P	8.1°	37.5°
C1	C2	C7	H71	117.2°	79.8°
C1	C2	C7	H72	133.4°	154.9°
C2	C1	O1	P	44.9°	33.1°
C6	C1	O1	H1	117.8°	119.0°
C6	C1	C2	C3	28.6°	51.2°
C6	C1	C2	C7	97.5°	69.2°
C6	C1	C2	H2	142.7°	173.7°
C1	C6	C5	C4	72.3°	62.0°
C1	C6	C5	O6	122.6°	120.2°
C1	C6	C5	H6	117.4°	120.3°
C1	C6	C5	O5	175.3°	178.1°
C1	C6	C5	H5	51.8°	57.7°
C1	C6	O6	H6	117.7°	119.5°
C6	C1	O1	P	76.8°	86.7°
C1	C6	O6	HO6	180.0°	179.0°
O1	C1	C2	C3	146.9°	168.8°
O1	C1	C2	C7	20.8°	48.4°
O1	C1	C2	H2	99.1°	68.7°
O1	C1	C6	C5	165.2°	174.9°
O1	C1	C6	O6	80.6°	64.8°
O1	C1	C6	H6	39.9°	54.6°
C1	O1	P	C7	46.4°	6.9°
C1	O1	P	O1P	169.6°	124.3°
C1	O1	P	O2P	70.1°	110.5°
H1	C1	C2	C3	89.4°	70.1°
H1	C1	C2	C7	144.5°	169.5°
H1	C1	C2	H2	24.7°	52.4°
H1	C1	C6	C5	70.8°	66.1°
H1	C1	C6	O6	43.3°	54.2°
H1	C1	C6	H6	163.8°	173.6°
H1	C1	O1	P	165.4°	154.3°
C3	C2	C7	H2	114.6°	120.8°
C2	C3	C4	O3	120.2°	120.6°
C2	C3	C4	H3	117.3°	120.2°
C2	C3	O3	H3	117.5°	119.2°
C2	C3	C4	C5	51.2°	58.6°
C2	C3	C4	O4	172.2°	178.4°
C2	C3	C4	H4	68.2°	61.2°
C3	C2	C7	P	120.5°	159.6°
C3	C2	C7	H71	114.2°	42.2°
C3	C2	C7	H72	4.8°	83.1°
C2	C3	O3	HO3	180.0°	180.0°
C7	C2	C3	C4	94.9°	62.9°
C7	C2	C3	O3	25.2°	57.9°
C7	C2	C3	H3	147.7°	177.2°
C2	C7	P	H71	125.3°	117.2°
C2	C7	P	H72	125.3°	117.3°
C2	C7	H71	H72	120.3°	125.4°
C2	C7	P	O1	29.8°	19.4°
C2	C7	P	O1P	148.3°	98.1°
C2	C7	P	O2P	86.1°	136.7°
H2	C2	C3	C4	145.6°	176.1°
H2	C2	C3	O3	94.3°	63.1°
H2	C2	C3	H3	28.3°	56.1°
H2	C2	C7	P	124.9°	79.6°
H2	C2	C7	H71	0.4°	163.0°
H2	C2	C7	H72	109.8°	37.8°
C4	C3	O3	H3	117.6°	119.0°
C3	C4	C5	O4	117.6°	119.8°
C3	C4	C5	H4	122.6°	119.8°
C3	C4	O4	H4	122.5°	120.4°
C3	C4	C5	C6	73.0°	62.7°
C3	C4	C5	O5	174.5°	177.2°
C3	C4	C5	H5	51.0°	57.0°
C4	C3	O3	HO3	55.1°	58.2°
C3	C4	O4	HO4	180.0°	179.6°
O3	C3	C4	C5	171.4°	179.1°
O3	C3	C4	O4	67.7°	61.0°
O3	C3	C4	H4	52.0°	59.4°
H3	C3	C4	C5	66.1°	61.6°
H3	C3	C4	O4	54.9°	58.3°
H3	C3	C4	H4	174.5°	178.6°
H3	C3	O3	HO3	62.5°	60.7°
C5	C4	O4	H4	119.5°	120.4°
C4	C5	C6	O5	112.4°	119.9°
C4	C5	C6	H5	124.0°	119.7°
C4	C5	O5	H5	124.2°	120.2°
C4	C5	C6	O6	165.1°	177.8°
C4	C5	C6	H6	45.1°	58.3°
C5	C4	O4	HO4	62.1°	60.3°
C4	C5	O5	HO5	180.0°	59.9°
O4	C4	C5	C6	169.4°	177.4°
O4	C4	C5	O5	56.9°	57.4°
O4	C4	C5	H5	66.6°	62.8°
H4	C4	C5	C6	49.6°	57.1°
H4	C4	C5	O5	62.9°	63.0°
H4	C4	C5	H5	173.6°	176.8°
H4	C4	O4	HO4	57.5°	60.0°
C6	C5	O5	H5	124.2°	120.4°
C5	C6	O6	H6	125.2°	119.5°
C6	C5	O5	HO5	68.4°	179.3°
C5	C6	O6	HO6	62.9°	60.0°
O5	C5	C6	O6	52.7°	57.9°
O5	C5	C6	H6	67.3°	61.6°
H5	C5	C6	O6	70.8°	62.5°
H5	C5	C6	H6	169.1°	178.0°
H5	C5	O5	HO5	55.8°	60.3°
H6	C6	O6	HO6	62.3°	59.5°
P	C7	H71	H72	120.2°	125.6°
C7	P	O1	O1P	123.2°	117.4°
C7	P	O1	O2P	116.5°	117.3°
C7	P	O1P	O2P	128.8°	124.4°
C7	P	O2P	HOP2	180.0°	173.0°
H71	C7	P	O1	95.5°	97.9°
H71	C7	P	O1P	23.0°	144.7°
H71	C7	P	O2P	148.5°	19.5°
H72	C7	P	O1	155.1°	136.7°
H72	C7	P	O1P	86.4°	19.3°
H72	C7	P	O2P	39.2°	105.9°
O1	P	O1P	O2P	123.7°	124.5°
O1	P	O2P	HOP2	76.2°	61.9°
O1P	P	O2P	HOP2	47.9°	62.6°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1DJW