RD1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.36Å	1.39Å	Aromatic
C8	C8A	sing	1.41Å	1.39Å	Aromatic
C7	C6	sing	1.40Å	1.39Å	Aromatic
C6	C5	doub	1.36Å	1.38Å	Aromatic
C6	O1	sing	1.36Å	1.37Å
C5	C4A	sing	1.40Å	1.38Å	Aromatic
C8A	C1	doub	1.40Å	1.39Å	Aromatic
C8A	C4A	sing	1.42Å	1.38Å	Aromatic
C1	C2	sing	1.36Å	1.39Å	Aromatic
C4A	C4	doub	1.41Å	1.38Å	Aromatic
C4	C3	sing	1.36Å	1.38Å	Aromatic
C3	C2	doub	1.39Å	1.38Å	Aromatic
C2	C9	sing	1.51Å	1.48Å
O1	P10	sing	1.61Å	1.59Å
C9	P11	sing	1.82Å	1.82Å
C9	P12	sing	1.82Å	1.80Å
P10	O13	doub	1.48Å	1.52Å
P10	O14	sing	1.61Å	1.52Å
P10	O15	sing	1.61Å	1.52Å
P11	O16	sing	1.61Å	1.52Å
P11	O17	doub	1.48Å	1.53Å
P11	O18	sing	1.61Å	1.52Å
P12	O19	sing	1.61Å	1.53Å
P12	O20	doub	1.48Å	1.52Å
P12	O21	sing	1.61Å	1.52Å
C8	H8	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C1	H11	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C9	H9	sing	1.09Å	1.10Å
O14	H1	sing	0.97Å	0.95Å
O15	H2	sing	0.97Å	0.95Å
O16	H6	sing	0.97Å	0.95Å
O18	H12	sing	0.97Å	0.95Å
O19	H13	sing	0.97Å	0.95Å
O21	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C8A	120.5°	119.7°
C8	C7	C6	119.9°	120.9°
C7	C8	H8	119.7°	120.2°
C8	C7	H7	120.0°	119.5°
C8	C8A	C1	121.5°	121.2°
C8	C8A	C4A	119.0°	119.4°
C8A	C8	H8	119.8°	120.1°
C7	C6	C5	119.3°	120.9°
C7	C6	O1	122.5°	119.5°
C6	C7	H7	120.0°	119.6°
C5	C6	O1	118.1°	119.6°
C6	C5	C4A	120.8°	119.7°
C6	C5	H5	119.6°	120.2°
C6	O1	P10	127.7°	114.0°
C5	C4A	C8A	120.4°	119.4°
C5	C4A	C4	119.2°	121.3°
C4A	C5	H5	119.6°	120.1°
C1	C8A	C4A	119.6°	119.4°
C8A	C1	C2	120.3°	119.7°
C8A	C1	H11	119.9°	120.2°
C8A	C4A	C4	120.4°	119.4°
C1	C2	C3	119.2°	121.0°
C1	C2	C9	123.1°	119.5°
C2	C1	H11	119.9°	120.2°
C4A	C4	C3	119.7°	119.6°
C4A	C4	H4	120.2°	120.1°
C4	C3	C2	120.9°	121.0°
C3	C4	H4	120.1°	120.2°
C4	C3	H3	119.5°	119.5°
C3	C2	C9	117.7°	119.5°
C2	C3	H3	119.6°	119.5°
C2	C9	P11	109.4°	109.5°
C2	C9	P12	113.4°	109.5°
C2	C9	H9	109.4°	109.5°
O1	P10	O13	108.3°	109.4°
O1	P10	O14	106.7°	109.5°
O1	P10	O15	110.7°	109.4°
P11	C9	P12	112.9°	109.5°
C9	P11	O16	109.8°	109.5°
C9	P11	O17	111.5°	109.5°
C9	P11	O18	106.8°	109.5°
P11	C9	H9	105.6°	109.5°
C9	P12	O19	111.8°	109.5°
C9	P12	O20	107.3°	109.5°
C9	P12	O21	109.0°	109.5°
P12	C9	H9	105.8°	109.5°
O13	P10	O14	109.5°	109.5°
O13	P10	O15	112.1°	109.5°
O14	P10	O15	109.4°	109.5°
P10	O14	H1	109.5°	114.0°
P10	O15	H2	109.5°	114.1°
O16	P11	O17	108.4°	109.5°
O16	P11	O18	111.8°	109.4°
P11	O16	H6	109.5°	114.0°
O17	P11	O18	108.6°	109.5°
P11	O18	H12	109.5°	114.0°
O19	P12	O20	108.0°	109.5°
O19	P12	O21	109.6°	109.5°
P12	O19	H13	109.5°	114.0°
O20	P12	O21	111.1°	109.4°
P12	O21	H15	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C8A	H8	180.0°	179.8°
C8	C7	C6	H7	180.0°	180.0°
C8	C7	C6	C5	1.3°	0.0°
C8	C7	C6	O1	178.3°	180.0°
C7	C8	C8A	C1	179.9°	180.0°
C7	C8	C8A	C4A	0.3°	0.1°
C8A	C8	C7	C6	0.9°	0.1°
C8	C8A	C4A	C5	0.1°	0.0°
C8	C8A	C1	C4A	179.7°	179.9°
C8	C8A	C1	C2	179.6°	179.9°
C8	C8A	C4A	C4	179.9°	179.9°
C8A	C8	C7	H7	179.1°	180.0°
C8	C8A	C1	H11	0.4°	0.1°
C7	C6	C5	O1	177.2°	180.0°
C7	C6	C5	C4A	1.0°	0.0°
C7	C6	O1	P10	53.7°	90.0°
C6	C7	C8	H8	179.1°	179.7°
C7	C6	C5	H5	179.0°	180.0°
C6	C5	C4A	H5	180.0°	180.0°
C6	C5	C4A	C8A	0.4°	0.0°
C6	C5	C4A	C4	179.5°	180.0°
C5	C6	O1	P10	129.2°	90.0°
C5	C6	C7	H7	178.7°	180.0°
O1	C6	C5	C4A	178.2°	180.0°
C6	O1	P10	O13	55.9°	55.0°
C6	O1	P10	O14	173.7°	175.0°
C6	O1	P10	O15	67.3°	65.0°
O1	C6	C7	H7	1.7°	0.0°
O1	C6	C5	H5	1.8°	0.0°
C5	C4A	C8A	C1	179.8°	180.0°
C5	C4A	C8A	C4	179.9°	180.0°
C5	C4A	C4	C3	180.0°	180.0°
C5	C4A	C4	H4	0.0°	0.0°
C8A	C1	C2	H11	180.0°	180.0°
C1	C8A	C4A	C4	0.1°	0.0°
C8A	C1	C2	C3	0.7°	0.1°
C8A	C1	C2	C9	178.1°	180.0°
C1	C8A	C8	H8	0.1°	0.2°
C4A	C8A	C1	C2	0.2°	0.0°
C8A	C4A	C4	C3	0.1°	0.0°
C4A	C8A	C8	H8	179.6°	179.7°
C8A	C4A	C5	H5	179.6°	180.0°
C4A	C8A	C1	H11	179.8°	180.0°
C8A	C4A	C4	H4	179.9°	180.0°
C1	C2	C3	C4	0.9°	0.0°
C1	C2	C3	C9	177.6°	180.0°
C1	C2	C9	P11	59.8°	120.0°
C1	C2	C9	P12	67.1°	120.0°
C1	C2	C3	H3	179.1°	180.0°
C1	C2	C9	H9	175.1°	0.0°
C4A	C4	C3	H4	180.0°	180.0°
C4A	C4	C3	C2	0.6°	0.0°
C4	C4A	C5	H5	0.5°	0.0°
C4A	C4	C3	H3	179.4°	179.9°
C4	C3	C2	H3	180.0°	179.9°
C4	C3	C2	C9	178.4°	180.0°
C3	C2	C9	P11	117.6°	60.0°
C3	C2	C9	P12	115.4°	59.9°
C3	C2	C1	H11	179.3°	180.0°
C2	C3	C4	H4	179.4°	180.0°
C3	C2	C9	H9	2.4°	180.0°
C2	C9	P11	P12	127.3°	120.0°
C2	C9	P11	H9	117.6°	120.0°
C2	C9	P12	H9	119.9°	120.0°
C2	C9	P11	O16	93.1°	180.0°
C2	C9	P11	O17	146.8°	60.0°
C2	C9	P11	O18	28.3°	60.0°
C2	C9	P12	O19	51.9°	45.0°
C2	C9	P12	O20	66.4°	165.0°
C2	C9	P12	O21	173.2°	75.0°
C9	C2	C1	H11	1.9°	0.0°
C9	C2	C3	H3	1.6°	0.1°
O1	P10	O13	O14	116.0°	120.0°
O1	P10	O13	O15	122.4°	120.0°
O1	P10	O14	O15	119.8°	120.0°
O1	P10	O14	H1	117.0°	180.0°
O1	P10	O15	H2	121.0°	60.0°
P11	C9	P12	H9	115.0°	120.0°
C9	P11	O16	O17	122.0°	120.0°
C9	P11	O16	O18	118.3°	120.0°
C9	P11	O17	O18	117.4°	120.0°
P11	C9	P12	O19	73.2°	165.0°
P11	C9	P12	O20	168.5°	75.0°
P11	C9	P12	O21	48.1°	45.0°
C9	P11	O16	H6	122.0°	180.0°
C9	P11	O18	H12	120.3°	60.0°
P12	C9	P11	O16	34.2°	60.0°
P12	C9	P11	O17	86.0°	180.0°
P12	C9	P11	O18	155.6°	60.0°
C9	P12	O19	O20	117.8°	120.0°
C9	P12	O19	O21	121.0°	120.1°
C9	P12	O20	O21	119.0°	120.0°
C9	P12	O19	H13	117.8°	60.0°
C9	P12	O21	H15	118.0°	180.0°
O13	P10	O14	O15	123.2°	120.1°
O13	P10	O14	H1	0.0°	60.1°
O13	P10	O15	H2	0.0°	180.0°
O14	P10	O15	H2	121.7°	60.0°
O15	P10	O14	H1	123.2°	60.0°
O16	P11	O17	O18	121.6°	120.0°
O16	P11	C9	H9	149.3°	60.0°
O16	P11	O18	H12	119.6°	60.0°
O17	P11	C9	H9	29.1°	60.0°
O17	P11	O16	H6	0.0°	59.9°
O17	P11	O18	H12	0.0°	179.9°
O18	P11	C9	H9	89.3°	180.0°
O18	P11	O16	H6	119.7°	60.0°
O19	P12	O20	O21	120.3°	120.0°
O19	P12	C9	H9	171.7°	75.0°
O19	P12	O21	H15	119.3°	59.9°
O20	P12	C9	H9	53.5°	45.0°
O20	P12	O19	H13	0.0°	180.0°
O20	P12	O21	H15	0.0°	60.0°
O21	P12	C9	H9	66.9°	165.0°
O21	P12	O19	H13	121.2°	60.0°
H8	C8	C7	H7	1.0°	0.3°
H4	C4	C3	H3	0.6°	0.1°

Release date:	2017-10-25
Definition date:	2016-10-13
Last modified:	2017-10-20
Release status:	REL
Processing site:	RCSB
Derived from:	5TLE