CRB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O11	sing	1.34Å	1.29Å
C1	O12	doub	1.21Å	1.25Å
C1	C2	sing	1.51Å	1.54Å
O11	HOB	sing	0.97Å	0.95Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.54Å
C2	C8	sing	1.53Å	1.55Å
O2	HO2	sing	0.97Å	0.95Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C4	O4	sing	1.43Å	1.45Å
C4	C5	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.11Å
O4	HO4	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.39Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.11Å
O5	HO5	sing	0.97Å	0.95Å
C6	C7	sing	1.53Å	1.52Å
C6	C8	sing	1.53Å	1.55Å
C6	H6	sing	1.09Å	1.12Å
C7	P1	sing	1.82Å	1.82Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
P1	O91	doub	1.48Å	1.48Å
P1	O92	sing	1.61Å	1.52Å
P1	O93	sing	1.61Å	1.58Å
O92	HOP2	sing	0.97Å	0.95Å
O93	HOP3	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C1	O12	125.0°	120.0°
O11	C1	C2	115.1°	120.0°
C1	O11	HOB	125.0°	120.0°
O12	C1	C2	119.7°	120.0°
C1	C2	O2	108.7°	109.4°
C1	C2	C3	115.2°	109.5°
C1	C2	C8	103.5°	109.5°
O2	C2	C3	108.3°	109.4°
O2	C2	C8	109.0°	109.4°
C2	O2	HO2	108.7°	106.8°
C3	C2	C8	112.0°	109.5°
C2	C3	C4	112.7°	109.5°
C2	C3	H31	111.0°	109.4°
C2	C3	H32	111.0°	109.5°
C2	C8	C6	109.6°	109.4°
C2	C8	H81	112.1°	109.4°
C2	C8	H82	112.1°	109.4°
C4	C3	H31	111.0°	109.5°
C4	C3	H32	111.0°	109.5°
C3	C4	O4	112.0°	109.5°
C3	C4	C5	108.9°	109.5°
C3	C4	H4	108.2°	109.5°
H31	C3	H32	99.3°	109.4°
O4	C4	C5	109.6°	109.5°
O4	C4	H4	107.4°	109.4°
C4	O4	HO4	112.0°	106.8°
C5	C4	H4	110.6°	109.4°
C4	C5	O5	109.4°	109.5°
C4	C5	C6	106.9°	109.5°
C4	C5	H5	112.8°	109.4°
O5	C5	C6	114.0°	109.5°
O5	C5	H5	105.6°	109.4°
C5	O5	HO5	109.5°	106.9°
C6	C5	H5	108.2°	109.5°
C5	C6	C7	116.2°	109.4°
C5	C6	C8	108.7°	109.5°
C5	C6	H6	104.8°	109.5°
C7	C6	C8	107.6°	109.4°
C7	C6	H6	105.9°	109.5°
C6	C7	P1	116.8°	109.5°
C6	C7	H71	109.5°	109.5°
C6	C7	H72	109.5°	109.4°
C8	C6	H6	113.8°	109.6°
C6	C8	H81	112.1°	109.5°
C6	C8	H82	112.1°	109.5°
P1	C7	H71	109.6°	109.5°
P1	C7	H72	109.6°	109.4°
C7	P1	O91	112.2°	109.4°
C7	P1	O92	105.1°	109.5°
C7	P1	O93	107.3°	109.5°
H71	C7	H72	100.6°	109.5°
H81	C8	H82	98.3°	109.5°
O91	P1	O92	111.3°	109.4°
O91	P1	O93	110.8°	109.4°
O92	P1	O93	109.9°	109.5°
P1	O92	HOP2	105.1°	106.8°
P1	O93	HOP3	107.3°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C1	O12	C2	176.2°	179.9°
O11	C1	C2	O2	21.2°	180.0°
O11	C1	C2	C3	142.9°	60.1°
O11	C1	C2	C8	94.5°	60.0°
O12	C1	O11	HOB	180.0°	0.1°
O12	C1	C2	O2	162.2°	0.1°
O12	C1	C2	C3	40.5°	120.0°
O12	C1	C2	C8	82.1°	119.9°
C2	C1	O11	HOB	3.6°	180.0°
C1	C2	O2	C3	125.8°	119.9°
C1	C2	O2	C8	112.1°	120.0°
C1	C2	C3	C8	117.9°	120.1°
C1	C2	O2	HO2	180.0°	59.9°
C1	C2	C3	C4	168.2°	180.0°
C1	C2	C3	H31	66.5°	60.0°
C1	C2	C3	H32	43.0°	59.9°
C1	C2	C8	C6	176.0°	180.0°
C1	C2	C8	H81	50.8°	60.0°
C1	C2	C8	H82	58.8°	60.0°
O2	C2	C3	C8	120.2°	120.0°
O2	C2	C3	C4	69.9°	60.0°
O2	C2	C3	H31	55.4°	180.0°
O2	C2	C3	H32	164.9°	60.0°
O2	C2	C8	C6	68.5°	60.0°
O2	C2	C8	H81	166.3°	180.0°
O2	C2	C8	H82	56.7°	60.0°
C3	C2	O2	HO2	54.1°	60.0°
C2	C3	C4	H31	125.3°	119.9°
C2	C3	C4	H32	125.3°	120.1°
C2	C3	H31	H32	116.9°	120.0°
C2	C3	C4	O4	178.0°	180.0°
C2	C3	C4	C5	56.6°	59.9°
C2	C3	C4	H4	63.7°	60.1°
C3	C2	C8	C6	51.3°	60.0°
C3	C2	C8	H81	73.9°	60.0°
C3	C2	C8	H82	176.5°	180.0°
C8	C2	O2	HO2	67.9°	179.9°
C8	C2	C3	C4	50.3°	59.9°
C8	C2	C3	H31	175.6°	60.0°
C8	C2	C3	H32	74.9°	180.0°
C2	C8	C6	C5	60.7°	60.0°
C2	C8	C6	C7	172.7°	180.0°
C2	C8	C6	H81	125.2°	120.0°
C2	C8	C6	H82	125.2°	120.0°
C2	C8	C6	H6	55.7°	60.0°
C2	C8	H81	H82	118.1°	119.9°
C4	C3	H31	H32	116.8°	120.0°
C3	C4	O4	C5	121.0°	120.1°
C3	C4	O4	H4	118.7°	120.0°
C3	C4	C5	H4	118.8°	120.0°
C3	C4	O4	HO4	180.0°	59.9°
C3	C4	C5	O5	171.5°	180.0°
C3	C4	C5	C6	64.6°	59.9°
C3	C4	C5	H5	54.3°	60.1°
H31	C3	C4	O4	56.7°	60.1°
H31	C3	C4	C5	178.1°	60.1°
H31	C3	C4	H4	61.6°	180.0°
H32	C3	C4	O4	52.8°	59.9°
H32	C3	C4	C5	68.7°	180.0°
H32	C3	C4	H4	171.0°	60.0°
O4	C4	C5	H4	118.3°	119.9°
O4	C4	C5	O5	48.6°	59.9°
O4	C4	C5	C6	172.5°	180.0°
O4	C4	C5	H5	68.6°	60.1°
C5	C4	O4	HO4	59.0°	180.0°
C4	C5	O5	C6	119.7°	120.1°
C4	C5	O5	H5	121.7°	119.9°
C4	C5	C6	H5	121.8°	119.9°
C4	C5	O5	HO5	180.0°	60.0°
C4	C5	C6	C7	171.3°	180.0°
C4	C5	C6	C8	67.3°	60.0°
C4	C5	C6	H6	54.8°	60.1°
H4	C4	O4	HO4	61.3°	60.1°
H4	C4	C5	O5	69.7°	60.0°
H4	C4	C5	C6	54.2°	60.1°
H4	C4	C5	H5	173.1°	179.9°
O5	C5	C6	H5	117.1°	120.0°
O5	C5	C6	C7	50.2°	60.0°
O5	C5	C6	C8	171.7°	179.9°
O5	C5	C6	H6	66.3°	60.0°
C6	C5	O5	HO5	60.3°	180.0°
C5	C6	C7	C8	122.1°	120.0°
C5	C6	C7	H6	115.8°	119.9°
C5	C6	C8	H6	116.4°	120.0°
C5	C6	C7	P1	165.4°	164.0°
C5	C6	C7	H71	40.1°	43.9°
C5	C6	C7	H72	69.3°	76.1°
C5	C6	C8	H81	64.6°	59.9°
C5	C6	C8	H82	174.1°	180.0°
H5	C5	O5	HO5	58.3°	60.0°
H5	C5	C6	C7	67.0°	60.0°
H5	C5	C6	C8	54.5°	59.9°
H5	C5	C6	H6	176.6°	180.0°
C7	C6	C8	H6	117.0°	120.0°
C6	C7	P1	H71	125.3°	120.0°
C6	C7	P1	H72	125.3°	119.9°
C6	C7	H71	H72	115.3°	120.0°
C7	C6	C8	H81	62.0°	60.0°
C7	C6	C8	H82	47.5°	60.1°
C6	C7	P1	O91	62.5°	54.5°
C6	C7	P1	O92	176.4°	174.4°
C6	C7	P1	O93	59.4°	65.5°
C8	C6	C7	P1	72.5°	76.0°
C8	C6	C7	H71	162.2°	163.9°
C8	C6	C7	H72	52.8°	43.9°
C6	C8	H81	H82	118.1°	120.1°
H6	C6	C7	P1	49.6°	44.0°
H6	C6	C7	H71	75.7°	76.0°
H6	C6	C7	H72	174.9°	164.0°
H6	C6	C8	H81	179.1°	180.0°
H6	C6	C8	H82	69.5°	59.9°
P1	C7	H71	H72	115.3°	120.0°
C7	P1	O91	O92	117.5°	120.0°
C7	P1	O91	O93	119.9°	120.0°
C7	P1	O92	O93	115.2°	120.1°
C7	P1	O92	HOP2	180.0°	180.0°
C7	P1	O93	HOP3	180.0°	60.1°
H71	C7	P1	O91	172.3°	65.6°
H71	C7	P1	O92	51.1°	54.4°
H71	C7	P1	O93	65.9°	174.5°
H72	C7	P1	O91	62.8°	174.4°
H72	C7	P1	O92	58.3°	65.6°
H72	C7	P1	O93	175.3°	54.5°
O91	P1	O92	O93	123.1°	119.9°
O91	P1	O92	HOP2	58.3°	60.1°
O91	P1	O93	HOP3	57.2°	180.0°
O92	P1	O93	HOP3	66.2°	60.1°
O93	P1	O92	HOP2	64.8°	59.9°

Definition date:	1999-07-08
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1DQS