44E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O22	C21	doub	1.21Å	1.22Å
O12	P	doub	1.48Å	1.51Å
C1	C2	sing	1.53Å	1.53Å
C1	O11	sing	1.43Å	1.41Å
C2	C3	sing	1.53Å	1.53Å
C2	O21	sing	1.45Å	1.46Å
C23	C22	sing	1.53Å	1.51Å
C21	O21	sing	1.34Å	1.34Å
C21	C22	sing	1.51Å	1.51Å
C3	O31	sing	1.45Å	1.45Å
O11	P	sing	1.61Å	1.59Å
P	O14	sing	1.61Å	1.51Å
P	O13	sing	1.61Å	1.51Å
C32	C33	sing	1.53Å	1.52Å
C32	C31	sing	1.51Å	1.52Å
O31	C31	sing	1.34Å	1.34Å
C33	C34	sing	1.53Å	1.52Å
C31	O32	doub	1.21Å	1.21Å
C34	C35	sing	1.53Å	1.52Å
C36	C35	sing	1.53Å	1.52Å
O13	H1	sing	0.97Å	0.95Å
O14	H2	sing	0.97Å	0.95Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C22	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C23	H8	sing	1.09Å	1.10Å
C23	H9	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C32	H13	sing	1.09Å	1.10Å
C32	H14	sing	1.09Å	1.10Å
C33	H15	sing	1.09Å	1.10Å
C33	H16	sing	1.09Å	1.10Å
C34	H17	sing	1.09Å	1.10Å
C34	H18	sing	1.09Å	1.10Å
C35	H19	sing	1.09Å	1.10Å
C35	H20	sing	1.09Å	1.10Å
C36	H21	sing	1.09Å	1.10Å
C36	H22	sing	1.09Å	1.10Å
C36	H23	sing	1.09Å	1.10Å
C23	C4	sing	1.53Å	123.63Å
C4	C5	sing	1.53Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C4	H10	sing	1.09Å	0.00Å
C4	H24	sing	1.09Å	0.00Å
C5	H25	sing	1.09Å	0.00Å
C5	H26	sing	1.09Å	0.00Å
C6	H27	sing	1.09Å	0.00Å
C6	H28	sing	1.09Å	0.00Å
C6	H29	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O22	C21	O21	119.9°	120.0°
O22	C21	C22	120.0°	120.0°
O12	P	O11	110.9°	109.5°
O12	P	O14	108.3°	109.4°
O12	P	O13	109.3°	109.5°
C2	C1	O11	112.9°	109.4°
C1	C2	C3	114.9°	109.5°
C1	C2	O21	110.2°	109.4°
C2	C1	H3	108.6°	109.5°
C2	C1	H4	108.6°	109.4°
C1	C2	H5	106.5°	109.4°
C1	O11	P	119.0°	123.0°
O11	C1	H3	108.6°	109.5°
O11	C1	H4	108.6°	109.4°
C3	C2	O21	110.8°	109.5°
C2	C3	O31	112.9°	109.5°
C3	C2	H5	106.5°	109.5°
C2	C3	H11	108.6°	109.5°
C2	C3	H12	108.6°	109.5°
C2	O21	C21	115.3°	117.0°
O21	C2	H5	107.3°	109.5°
C23	C22	C21	111.1°	109.5°
C23	C22	H6	109.0°	109.4°
C23	C22	H7	109.0°	109.4°
C22	C23	H8	123.3°	109.4°
C22	C23	H9	123.3°	109.4°
C22	C23	C4	35.7°	109.5°
O21	C21	C22	112.8°	120.0°
C21	C22	H6	109.1°	109.5°
C21	C22	H7	109.1°	109.5°
C3	O31	C31	118.8°	117.0°
O31	C3	H11	108.6°	109.5°
O31	C3	H12	108.6°	109.4°
O11	P	O14	109.7°	109.5°
O11	P	O13	109.1°	109.5°
O14	P	O13	109.5°	109.5°
P	O14	H2	109.5°	114.0°
P	O13	H1	109.5°	114.0°
C33	C32	C31	110.8°	109.4°
C32	C33	C34	114.0°	109.4°
C33	C32	H13	109.1°	109.5°
C33	C32	H14	109.1°	109.5°
C32	C33	H15	108.3°	109.5°
C32	C33	H16	108.3°	109.5°
C32	C31	O31	115.3°	120.0°
C32	C31	O32	117.3°	120.0°
C31	C32	H13	109.1°	109.4°
C31	C32	H14	109.1°	109.5°
O31	C31	O32	122.1°	120.0°
C33	C34	C35	112.5°	109.5°
C34	C33	H15	108.3°	109.4°
C34	C33	H16	108.4°	109.5°
C33	C34	H17	108.7°	109.5°
C33	C34	H18	108.7°	109.5°
C34	C35	C36	113.3°	109.5°
C35	C34	H17	108.7°	109.5°
C35	C34	H18	108.7°	109.4°
C34	C35	H19	108.5°	109.5°
C34	C35	H20	108.5°	109.4°
C36	C35	H19	108.5°	109.5°
C36	C35	H20	108.5°	109.5°
C35	C36	H21	109.5°	109.5°
C35	C36	H22	109.5°	109.5°
C35	C36	H23	109.4°	109.4°
H3	C1	H4	109.5°	109.5°
H6	C22	H7	109.5°	109.5°
H8	C23	H9	109.5°	109.5°
H8	C23	C4	123.3°	109.5°
H9	C23	C4	123.3°	109.5°
H11	C3	H12	109.4°	109.5°
H13	C32	H14	109.5°	109.5°
H15	C33	H16	109.5°	109.5°
H17	C34	H18	109.5°	109.5°
H19	C35	H20	109.4°	109.5°
H21	C36	H22	109.5°	109.5°
H21	C36	H23	109.5°	109.5°
H22	C36	H23	109.5°	109.5°
C23	C4	C5	90.0°	109.4°
C23	C4	H10	90.0°	109.5°
C23	C4	H24	90.0°	109.5°
C4	C5	C6	90.0°	109.5°
C5	C4	H10	90.0°	109.4°
C5	C4	H24	90.0°	109.5°
C4	C5	H25	90.0°	109.5°
C4	C5	H26	90.0°	109.5°
C6	C5	H25	90.0°	109.4°
C6	C5	H26	90.0°	109.5°
C5	C6	H27	90.0°	109.5°
C5	C6	H28	90.0°	109.4°
C5	C6	H29	90.0°	109.5°
H10	C4	H24	90.0°	109.5°
H25	C5	H26	90.0°	109.5°
H27	C6	H28	90.0°	109.5°
H27	C6	H29	90.0°	109.5°
H28	C6	H29	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O22	C21	O21	C2	26.1°	0.0°
O22	C21	C22	C23	1.2°	0.0°
O22	C21	O21	C22	150.3°	180.0°
O22	C21	C22	H6	121.4°	120.0°
O22	C21	C22	H7	119.1°	120.0°
O12	P	O11	C1	22.4°	55.0°
O12	P	O11	O14	119.6°	120.0°
O12	P	O11	O13	120.5°	120.0°
O12	P	O14	O13	119.1°	120.0°
O12	P	O13	H1	0.0°	60.0°
O12	P	O14	H2	0.0°	180.0°
C2	C1	O11	H3	120.5°	120.0°
C2	C1	O11	H4	120.5°	119.9°
C1	C2	C3	O21	125.8°	120.0°
C1	C2	C3	H5	117.7°	120.0°
C1	C2	O21	H5	115.6°	119.9°
C1	C2	O21	C21	140.1°	90.0°
C1	C2	C3	O31	92.6°	55.0°
C2	C1	O11	P	161.7°	180.0°
C2	C1	H3	H4	118.5°	120.0°
C1	C2	C3	H11	146.9°	175.0°
C1	C2	C3	H12	27.9°	64.9°
O11	C1	C2	C3	30.1°	55.0°
O11	C1	C2	O21	96.1°	65.1°
C1	O11	P	O14	142.0°	64.9°
C1	O11	P	O13	98.0°	175.1°
O11	C1	H3	H4	118.4°	120.0°
O11	C1	C2	H5	147.8°	175.0°
C3	C2	O21	H5	115.9°	120.0°
C3	C2	O21	C21	91.5°	150.0°
C2	C3	O31	H11	120.5°	120.0°
C2	C3	O31	H12	120.5°	120.0°
C2	C3	O31	C31	89.0°	180.0°
C3	C2	C1	H3	90.4°	175.0°
C3	C2	C1	H4	150.5°	64.9°
C2	C3	H11	H12	118.4°	120.0°
C2	O21	C21	C22	176.5°	180.0°
O21	C2	C3	O31	33.2°	65.0°
O21	C2	C1	H3	143.4°	55.0°
O21	C2	C1	H4	24.4°	175.0°
O21	C2	C3	H11	87.3°	55.0°
O21	C2	C3	H12	153.8°	175.0°
C23	C22	C21	O21	149.1°	180.0°
C23	C22	C21	H6	120.2°	120.0°
C23	C22	C21	H7	120.2°	119.9°
C23	C22	H6	H7	119.2°	119.9°
C22	C23	H8	H9	158.5°	119.9°
C22	C23	H8	C4	43.0°	120.0°
C22	C23	H9	C4	43.0°	120.0°
C22	C23	C4	C5	90.0°	180.0°
C22	C23	C4	H10	90.0°	60.0°
C22	C23	C4	H24	90.0°	60.0°
C21	O21	C2	H5	24.4°	29.9°
O21	C21	C22	H6	28.9°	60.0°
O21	C21	C22	H7	90.6°	60.0°
C21	C22	H6	H7	119.3°	120.1°
C21	C22	C23	H8	15.1°	59.9°
C21	C22	C23	H9	170.6°	60.0°
C21	C22	C23	C4	87.1°	180.0°
C3	O31	C31	C32	47.4°	180.0°
C3	O31	C31	O32	159.0°	0.0°
O31	C3	C2	H5	149.7°	175.0°
O31	C3	H11	H12	118.4°	120.0°
O11	P	O14	O13	119.7°	120.0°
O11	P	O13	H1	121.5°	180.0°
O11	P	O14	H2	121.2°	60.0°
P	O11	C1	H3	77.8°	60.0°
P	O11	C1	H4	41.2°	60.1°
O14	P	O13	H1	118.5°	60.0°
O13	P	O14	H2	119.1°	60.0°
C33	C32	C31	H13	120.2°	119.9°
C33	C32	C31	H14	120.2°	120.1°
C33	C32	C31	O31	164.3°	180.0°
C32	C33	C34	H15	120.7°	119.9°
C32	C33	C34	H16	120.7°	120.0°
C33	C32	C31	O32	40.8°	0.0°
C32	C33	C34	C35	141.2°	180.0°
C33	C32	H13	H14	119.4°	120.1°
C32	C33	H15	H16	118.0°	120.1°
C32	C33	C34	H17	98.3°	60.0°
C32	C33	C34	H18	20.8°	60.0°
C32	C31	O31	O32	153.6°	180.0°
C31	C32	C33	C34	109.3°	180.0°
C31	C32	H13	H14	119.4°	120.0°
C31	C32	C33	H15	11.4°	60.1°
C31	C32	C33	H16	130.1°	60.0°
C31	O31	C3	H11	31.6°	60.0°
C31	O31	C3	H12	150.5°	60.0°
O31	C31	C32	H13	75.5°	60.0°
O31	C31	C32	H14	44.1°	60.0°
C33	C34	C35	H17	120.4°	120.0°
C33	C34	C35	H18	120.4°	120.0°
C33	C34	C35	C36	119.3°	NaN°
C34	C33	C32	H13	10.9°	60.1°
C34	C33	C32	H14	130.6°	60.0°
C34	C33	H15	H16	118.0°	120.0°
C33	C34	H17	H18	118.6°	120.0°
C33	C34	C35	H19	120.1°	60.0°
C33	C34	C35	H20	1.2°	60.0°
O32	C31	C32	H13	79.4°	120.0°
O32	C31	C32	H14	161.0°	120.0°
C34	C35	C36	H19	120.6°	120.0°
C34	C35	C36	H20	120.6°	119.9°
C35	C34	C33	H15	20.6°	60.0°
C35	C34	C33	H16	98.1°	60.0°
C35	C34	H17	H18	118.6°	120.0°
C34	C35	H19	H20	118.2°	120.0°
C34	C35	C36	H21	180.0°	60.1°
C34	C35	C36	H22	60.0°	180.0°
C34	C35	C36	H23	60.0°	60.0°
C36	C35	C34	H17	1.1°	60.0°
C36	C35	C34	H18	120.2°	60.0°
C36	C35	H19	H20	118.2°	120.0°
C35	C36	H21	H22	120.0°	120.0°
C35	C36	H21	H23	120.0°	120.0°
C35	C36	H22	H23	120.0°	119.9°
H3	C1	C2	H5	27.3°	65.0°
H4	C1	C2	H5	91.7°	55.1°
H5	C2	C3	H11	29.1°	65.0°
H5	C2	C3	H12	89.8°	55.0°
H6	C22	C23	H8	135.3°	180.0°
H6	C22	C23	H9	69.1°	60.1°
H6	C22	C23	C4	33.1°	59.9°
H7	C22	C23	H8	105.2°	60.0°
H7	C22	C23	H9	50.4°	180.0°
H7	C22	C23	C4	152.6°	60.0°
H8	C23	H9	C4	158.5°	120.1°
H8	C23	C4	C5	90.0°	60.0°
H8	C23	C4	H10	90.0°	180.0°
H8	C23	C4	H24	90.0°	60.0°
H9	C23	C4	C5	90.0°	60.0°
H9	C23	C4	H10	90.0°	59.9°
H9	C23	C4	H24	90.0°	180.0°
H13	C32	C33	H15	131.6°	180.0°
H13	C32	C33	H16	109.8°	59.9°
H14	C32	C33	H15	108.8°	59.9°
H14	C32	C33	H16	9.9°	180.0°
H15	C33	C34	H17	141.0°	180.0°
H15	C33	C34	H18	99.9°	59.9°
H16	C33	C34	H17	22.3°	60.0°
H16	C33	C34	H18	141.4°	180.0°
H17	C34	C35	H19	119.5°	NaN°
H17	C34	C35	H20	121.7°	60.0°
H18	C34	C35	H19	0.4°	60.0°
H18	C34	C35	H20	119.2°	180.0°
H19	C35	C36	H21	59.4°	60.0°
H19	C35	C36	H22	179.4°	60.0°
H19	C35	C36	H23	60.6°	180.0°
H20	C35	C36	H21	59.4°	NaN°
H20	C35	C36	H22	60.6°	60.0°
H20	C35	C36	H23	179.4°	59.9°
H21	C36	H22	H23	120.0°	120.1°
C23	C4	C5	H10	90.0°	120.0°
C23	C4	C5	H24	90.0°	120.0°
C23	C4	C5	C6	90.0°	180.0°
C23	C4	H10	H24	90.0°	120.0°
C23	C4	C5	H25	90.0°	60.0°
C23	C4	C5	H26	90.0°	60.0°
C4	C5	C6	H25	90.0°	120.0°
C4	C5	C6	H26	90.0°	120.0°
C5	C4	H10	H24	90.0°	120.0°
C4	C5	H25	H26	90.0°	120.0°
C4	C5	C6	H27	90.0°	180.0°
C4	C5	C6	H28	90.0°	60.0°
C4	C5	C6	H29	90.0°	60.0°
C6	C5	C4	H10	90.0°	60.0°
C6	C5	C4	H24	90.0°	60.0°
C6	C5	H25	H26	90.0°	120.0°
C5	C6	H27	H28	90.0°	120.0°
C5	C6	H27	H29	90.0°	120.0°
C5	C6	H28	H29	90.0°	120.0°
H10	C4	C5	H25	90.0°	180.0°
H10	C4	C5	H26	90.0°	60.0°
H24	C4	C5	H25	90.0°	59.9°
H24	C4	C5	H26	90.0°	180.0°
H25	C5	C6	H27	90.0°	60.0°
H25	C5	C6	H28	90.0°	180.0°
H25	C5	C6	H29	90.0°	60.0°
H26	C5	C6	H27	90.0°	60.0°
H26	C5	C6	H28	90.0°	60.0°
H26	C5	C6	H29	90.0°	180.0°
H27	C6	H28	H29	90.0°	120.0°

Release date:	2016-02-03
Definition date:	2015-02-03
Last modified:	2016-01-29
Release status:	REL
Processing site:	RCSB
Derived from:	4XCN