DII

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
P1	O1	doub	1.48Å	1.50Å
P1	O2	sing	1.61Å	1.54Å
P1	O3	sing	1.61Å	1.57Å
P1	C7	sing	1.82Å	1.64Å
O2	C1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.52Å
C1	C3	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.11Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C2	H23	sing	1.09Å	1.12Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.12Å
C3	H33	sing	1.09Å	1.12Å
O3	C4	sing	1.43Å	1.46Å
C4	C5	sing	1.53Å	1.54Å
C4	C6	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.12Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C5	H53	sing	1.09Å	1.11Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.11Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	P1	O2	109.1°	109.4°
O1	P1	O3	109.8°	109.5°
O1	P1	C7	111.4°	109.4°
O2	P1	O3	105.6°	109.5°
O2	P1	C7	109.2°	109.4°
P1	O2	C1	120.3°	106.9°
O3	P1	C7	111.5°	109.5°
P1	O3	C4	116.6°	106.8°
P1	C7	H71	111.4°	109.5°
P1	C7	H72	111.5°	109.5°
P1	C7	H73	111.5°	109.5°
O2	C1	C2	111.9°	109.5°
O2	C1	C3	113.1°	109.5°
O2	C1	H1	106.1°	109.4°
C2	C1	C3	112.0°	109.5°
C2	C1	H1	107.3°	109.5°
C1	C2	H21	111.9°	109.5°
C1	C2	H22	111.3°	109.5°
C1	C2	H23	111.3°	109.4°
C3	C1	H1	105.9°	109.5°
C1	C3	H31	113.1°	109.5°
C1	C3	H32	110.9°	109.5°
C1	C3	H33	110.9°	109.5°
H21	C2	H22	111.4°	109.5°
H21	C2	H23	111.3°	109.4°
H22	C2	H23	99.1°	109.4°
H31	C3	H32	110.8°	109.5°
H31	C3	H33	110.9°	109.5°
H32	C3	H33	99.4°	109.5°
O3	C4	C5	114.0°	109.4°
O3	C4	C6	113.4°	109.5°
O3	C4	H4	103.6°	109.4°
C5	C4	C6	110.3°	109.5°
C5	C4	H4	107.1°	109.4°
C4	C5	H51	114.0°	109.5°
C4	C5	H52	110.5°	109.5°
C4	C5	H53	110.5°	109.5°
C6	C4	H4	107.9°	109.5°
C4	C6	H61	113.3°	109.5°
C4	C6	H62	110.8°	109.4°
C4	C6	H63	110.8°	109.5°
H51	C5	H52	110.5°	109.4°
H51	C5	H53	110.6°	109.5°
H52	C5	H53	99.8°	109.5°
H61	C6	H62	110.8°	109.6°
H61	C6	H63	110.7°	109.4°
H62	C6	H63	99.6°	109.5°
H71	C7	H72	111.5°	109.5°
H71	C7	H73	111.4°	109.5°
H72	C7	H73	98.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	P1	O2	O3	118.0°	120.0°
O1	P1	O2	C7	122.0°	119.9°
O1	P1	O3	C7	124.0°	120.0°
O1	P1	O2	C1	51.1°	50.3°
O1	P1	O3	C4	165.2°	57.0°
O1	P1	C7	H71	180.0°	179.9°
O1	P1	C7	H72	54.7°	59.9°
O1	P1	C7	H73	54.8°	60.0°
O2	P1	O3	C7	118.5°	120.0°
P1	O2	C1	C2	115.7°	125.2°
P1	O2	C1	C3	116.6°	114.8°
P1	O2	C1	H1	1.0°	5.2°
O2	P1	O3	C4	47.7°	63.0°
O2	P1	C7	H71	59.3°	60.0°
O2	P1	C7	H72	175.4°	60.0°
O2	P1	C7	H73	65.9°	179.9°
O3	P1	O2	C1	169.1°	170.4°
P1	O3	C4	C5	96.7°	125.4°
P1	O3	C4	C6	136.0°	114.6°
P1	O3	C4	H4	19.4°	5.5°
O3	P1	C7	H71	57.0°	60.0°
O3	P1	C7	H72	68.3°	179.9°
O3	P1	C7	H73	177.8°	60.0°
C7	P1	O2	C1	70.9°	69.6°
C7	P1	O3	C4	70.9°	177.0°
P1	C7	H71	H72	125.3°	120.0°
P1	C7	H71	H73	125.2°	120.0°
P1	C7	H72	H73	117.4°	120.0°
O2	C1	C2	C3	128.2°	120.0°
O2	C1	C2	H1	116.0°	119.9°
O2	C1	C3	H1	115.7°	119.9°
O2	C1	C2	H21	180.0°	180.0°
O2	C1	C2	H22	54.7°	59.9°
O2	C1	C2	H23	54.8°	60.1°
O2	C1	C3	H31	180.0°	64.8°
O2	C1	C3	H32	54.8°	55.2°
O2	C1	C3	H33	54.7°	175.1°
C2	C1	C3	H1	116.7°	120.0°
C1	C2	H21	H22	125.3°	120.1°
C1	C2	H21	H23	125.2°	119.9°
C1	C2	H22	H23	117.2°	119.9°
C2	C1	C3	H31	52.4°	55.2°
C2	C1	C3	H32	72.8°	175.2°
C2	C1	C3	H33	177.7°	64.8°
C3	C1	C2	H21	51.7°	60.0°
C3	C1	C2	H22	177.0°	179.9°
C3	C1	C2	H23	73.5°	60.0°
C1	C3	H31	H32	125.3°	120.0°
C1	C3	H31	H33	125.3°	120.0°
C1	C3	H32	H33	116.8°	120.0°
H1	C1	C2	H21	64.1°	60.1°
H1	C1	C2	H22	61.2°	60.1°
H1	C1	C2	H23	170.7°	180.0°
H1	C1	C3	H31	64.3°	175.2°
H1	C1	C3	H32	170.5°	64.7°
H1	C1	C3	H33	61.0°	55.2°
H21	C2	H22	H23	117.2°	120.0°
H31	C3	H32	H33	116.7°	120.0°
O3	C4	C5	C6	128.9°	120.0°
O3	C4	C5	H4	114.0°	119.9°
O3	C4	C6	H4	114.1°	120.0°
O3	C4	C5	H51	180.0°	175.1°
O3	C4	C5	H52	54.8°	55.2°
O3	C4	C5	H53	54.7°	64.8°
O3	C4	C6	H61	180.0°	60.1°
O3	C4	C6	H62	54.8°	60.0°
O3	C4	C6	H63	54.8°	180.0°
C5	C4	C6	H4	116.6°	120.0°
C4	C5	H51	H52	125.2°	120.0°
C4	C5	H51	H53	125.3°	120.0°
C4	C5	H52	H53	116.4°	120.0°
C5	C4	C6	H61	50.8°	59.9°
C5	C4	C6	H62	74.5°	180.0°
C5	C4	C6	H63	176.0°	60.0°
C6	C4	C5	H51	51.1°	64.8°
C6	C4	C5	H52	176.3°	175.3°
C6	C4	C5	H53	74.2°	55.2°
C4	C6	H61	H62	125.3°	120.0°
C4	C6	H61	H63	125.2°	120.0°
C4	C6	H62	H63	116.7°	120.0°
H4	C4	C5	H51	66.0°	55.2°
H4	C4	C5	H52	59.2°	64.7°
H4	C4	C5	H53	168.7°	175.2°
H4	C4	C6	H61	65.9°	179.9°
H4	C4	C6	H62	168.8°	60.0°
H4	C4	C6	H63	59.3°	60.0°
H51	C5	H52	H53	116.4°	120.0°
H61	C6	H62	H63	116.6°	120.0°
H71	C7	H72	H73	117.3°	120.0°

Definition date:	2000-06-14
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1EZ2