2BW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C8	sing	1.47Å	1.45Å
C8	C7	sing	1.53Å	1.52Å
C7	C6	sing	1.53Å	1.53Å
O4	P	doub	1.48Å	1.60Å
C6	P	sing	1.82Å	1.80Å
P	O3	sing	1.61Å	1.48Å
P	C3	sing	1.82Å	1.82Å
C3	O1	sing	1.43Å	1.43Å
C3	O2	sing	1.43Å	1.42Å
O1	C2	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.51Å
O2	C4	sing	1.43Å	1.42Å
C4	C5	sing	1.53Å	1.51Å
O3	H1	sing	0.97Å	0.95Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
N	H8	sing	1.01Å	1.00Å
N	H9	sing	1.01Å	1.00Å
C3	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
C5	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C2	H18	sing	1.09Å	1.10Å
C1	H19	sing	1.09Å	1.10Å
C1	H20	sing	1.09Å	1.10Å
C1	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C8	C7	109.0°	109.5°
N	C8	H6	109.6°	109.5°
N	C8	H7	109.6°	109.5°
C8	N	H8	109.5°	111.0°
C8	N	H9	109.5°	111.0°
C8	C7	C6	109.3°	109.5°
C8	C7	H4	109.5°	109.5°
C8	C7	H5	109.5°	109.5°
C7	C8	H6	109.6°	109.4°
C7	C8	H7	109.6°	109.4°
C7	C6	P	109.2°	109.5°
C7	C6	H2	109.5°	109.5°
C7	C6	H3	109.6°	109.4°
C6	C7	H4	109.5°	109.5°
C6	C7	H5	109.5°	109.4°
O4	P	C6	111.1°	109.5°
O4	P	O3	110.8°	109.4°
O4	P	C3	109.8°	109.5°
C6	P	O3	108.5°	109.4°
C6	P	C3	104.3°	109.5°
P	C6	H2	109.5°	109.5°
P	C6	H3	109.5°	109.5°
O3	P	C3	112.1°	109.5°
P	O3	H1	109.5°	114.0°
P	C3	O1	112.9°	109.5°
P	C3	O2	110.5°	109.5°
P	C3	H11	104.4°	109.5°
O1	C3	O2	111.7°	109.5°
C3	O1	C2	114.4°	114.0°
O1	C3	H11	108.5°	109.5°
C3	O2	C4	114.4°	114.0°
O2	C3	H11	108.6°	109.5°
O1	C2	C1	109.4°	109.5°
O1	C2	H17	109.5°	109.5°
O1	C2	H18	109.5°	109.5°
C1	C2	H17	109.5°	109.5°
C1	C2	H18	109.5°	109.4°
C2	C1	H19	109.5°	109.4°
C2	C1	H20	109.4°	109.4°
C2	C1	H21	109.5°	109.4°
O2	C4	C5	106.3°	109.5°
O2	C4	H12	110.3°	109.5°
O2	C4	H13	110.2°	109.5°
C5	C4	H12	110.3°	109.5°
C5	C4	H13	110.3°	109.5°
C4	C5	H14	109.5°	109.5°
C4	C5	H15	109.5°	109.4°
C4	C5	H16	109.5°	109.4°
H2	C6	H3	109.5°	109.4°
H4	C7	H5	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H8	N	H9	109.4°	111.0°
H12	C4	H13	109.5°	109.4°
H14	C5	H15	109.5°	109.5°
H14	C5	H16	109.5°	109.5°
H15	C5	H16	109.5°	109.5°
H17	C2	H18	109.5°	109.5°
H19	C1	H20	109.5°	109.5°
H19	C1	H21	109.4°	109.5°
H20	C1	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C8	C7	H6	119.9°	120.0°
N	C8	C7	H7	119.9°	120.0°
N	C8	C7	C6	169.9°	180.0°
N	C8	C7	H4	50.0°	60.0°
N	C8	C7	H5	70.1°	60.0°
N	C8	H6	H7	120.2°	120.1°
C8	N	H8	H9	120.0°	123.9°
C8	C7	C6	H4	120.0°	120.0°
C8	C7	C6	H5	120.0°	120.0°
C8	C7	C6	P	168.4°	180.0°
C8	C7	C6	H2	71.7°	60.0°
C8	C7	C6	H3	48.4°	59.9°
C8	C7	H4	H5	120.1°	120.0°
C7	C8	H6	H7	120.2°	119.9°
C7	C8	N	H8	180.0°	56.1°
C7	C8	N	H9	60.0°	180.0°
C7	C6	P	O4	52.3°	55.0°
C7	C6	P	H2	120.0°	120.0°
C7	C6	P	H3	120.0°	120.0°
C7	C6	P	O3	174.4°	65.0°
C7	C6	P	C3	65.9°	175.0°
C7	C6	H2	H3	120.2°	119.9°
C6	C7	H4	H5	120.1°	119.9°
C6	C7	C8	H6	70.2°	60.0°
C6	C7	C8	H7	50.0°	60.0°
O4	P	C6	O3	122.1°	119.9°
O4	P	C6	C3	118.2°	120.0°
O4	P	O3	C3	123.0°	120.0°
O4	P	C3	O1	24.5°	53.5°
O4	P	C3	O2	150.4°	173.5°
O4	P	O3	H1	0.0°	175.0°
O4	P	C6	H2	172.2°	175.0°
O4	P	C6	H3	67.7°	65.1°
O4	P	C3	H11	93.1°	66.5°
C6	P	O3	C3	114.7°	120.0°
C6	P	C3	O1	143.6°	173.5°
C6	P	C3	O2	90.5°	66.5°
C6	P	O3	H1	122.3°	65.0°
P	C6	H2	H3	120.1°	120.0°
P	C6	C7	H4	48.4°	60.0°
P	C6	C7	H5	71.6°	60.0°
C6	P	C3	H11	26.0°	53.5°
O3	P	C3	O1	99.1°	66.5°
O3	P	C3	O2	26.7°	53.5°
O3	P	C6	H2	65.7°	55.0°
O3	P	C6	H3	54.4°	175.0°
O3	P	C3	H11	143.3°	173.5°
P	C3	O1	O2	125.2°	120.0°
P	C3	O1	H11	115.2°	120.0°
P	C3	O2	H11	113.9°	120.0°
P	C3	O1	C2	69.4°	55.8°
P	C3	O2	C4	150.2°	164.9°
C3	P	O3	H1	123.0°	55.0°
C3	P	C6	H2	54.0°	65.0°
C3	P	C6	H3	174.1°	55.0°
O1	C3	O2	H11	119.6°	120.1°
C3	O1	C2	C1	158.5°	174.1°
O1	C3	O2	C4	83.3°	75.2°
C3	O1	C2	H17	81.5°	54.1°
C3	O1	C2	H18	38.5°	65.9°
O2	C3	O1	C2	55.8°	64.2°
C3	O2	C4	C5	175.7°	175.0°
C3	O2	C4	H12	64.8°	55.0°
C3	O2	C4	H13	56.2°	64.9°
O1	C2	C1	H17	120.0°	120.0°
O1	C2	C1	H18	120.0°	120.0°
C2	O1	C3	H11	175.4°	175.8°
O1	C2	H17	H18	120.0°	120.0°
O1	C2	C1	H19	180.0°	60.0°
O1	C2	C1	H20	60.0°	60.0°
O1	C2	C1	H21	60.0°	180.0°
C1	C2	H17	H18	120.1°	120.0°
C2	C1	H19	H20	120.0°	120.0°
C2	C1	H19	H21	120.0°	119.9°
C2	C1	H20	H21	120.0°	119.9°
O2	C4	C5	H12	119.5°	120.0°
O2	C4	C5	H13	119.5°	120.0°
C4	O2	C3	H11	36.3°	44.9°
O2	C4	H12	H13	121.4°	120.0°
O2	C4	C5	H14	180.0°	60.0°
O2	C4	C5	H15	60.0°	180.0°
O2	C4	C5	H16	60.0°	60.0°
C5	C4	H12	H13	121.5°	120.0°
C4	C5	H14	H15	120.0°	120.0°
C4	C5	H14	H16	120.0°	120.0°
C4	C5	H15	H16	120.0°	119.9°
H2	C6	C7	H4	168.4°	180.0°
H2	C6	C7	H5	48.3°	60.0°
H3	C6	C7	H4	71.5°	60.1°
H3	C6	C7	H5	168.4°	180.0°
H4	C7	C8	H6	169.9°	180.0°
H4	C7	C8	H7	69.9°	60.0°
H5	C7	C8	H6	49.8°	60.0°
H5	C7	C8	H7	170.0°	180.0°
H6	C8	N	H8	60.1°	63.9°
H6	C8	N	H9	59.9°	60.0°
H7	C8	N	H8	60.1°	176.1°
H7	C8	N	H9	179.9°	60.1°
H12	C4	C5	H14	60.5°	60.0°
H12	C4	C5	H15	179.5°	60.0°
H12	C4	C5	H16	59.5°	180.0°
H13	C4	C5	H14	60.5°	180.0°
H13	C4	C5	H15	59.5°	59.9°
H13	C4	C5	H16	179.5°	60.0°
H14	C5	H15	H16	120.0°	120.1°
H17	C2	C1	H19	60.0°	180.0°
H17	C2	C1	H20	180.0°	60.0°
H17	C2	C1	H21	60.0°	60.0°
H18	C2	C1	H19	60.1°	60.0°
H18	C2	C1	H20	60.0°	NaN°
H18	C2	C1	H21	180.0°	60.0°
H19	C1	H20	H21	120.0°	120.1°

Release date:	2013-12-11
Definition date:	2013-09-19
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	4MR8