RD2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	P14	doub	1.48Å	1.52Å
O17	P14	sing	1.61Å	1.52Å
C9	C10	doub	1.36Å	1.38Å	Aromatic
C9	C4	sing	1.41Å	1.39Å	Aromatic
C3	C4	doub	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.37Å	1.39Å	Aromatic
P14	O18	sing	1.61Å	1.53Å
P14	C13	sing	1.82Å	1.81Å
O1	C2	sing	1.36Å	1.36Å
C10	C11	sing	1.39Å	1.38Å	Aromatic
C4	C5	sing	1.42Å	1.39Å	Aromatic
C2	C7	doub	1.40Å	1.39Å	Aromatic
C11	C13	sing	1.51Å	1.48Å
C11	C12	doub	1.36Å	1.38Å	Aromatic
C5	C12	sing	1.41Å	1.38Å	Aromatic
C5	C6	doub	1.41Å	1.38Å	Aromatic
O19	P15	doub	1.48Å	1.52Å
C7	C6	sing	1.36Å	1.38Å	Aromatic
C13	P15	sing	1.82Å	1.82Å
P15	O21	sing	1.61Å	1.52Å
P15	O20	sing	1.61Å	1.52Å
O1	H1	sing	0.97Å	0.95Å
C3	H3	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C12	H121	sing	1.08Å	1.08Å
C13	H23	sing	1.09Å	1.10Å
O17	H2	sing	0.97Å	0.95Å
O18	H4	sing	0.97Å	0.95Å
O20	H5	sing	0.97Å	0.95Å
O21	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	P14	O17	109.3°	109.5°
O16	P14	O18	109.2°	109.5°
O16	P14	C13	111.5°	109.5°
O17	P14	O18	109.3°	109.5°
O17	P14	C13	109.5°	109.4°
P14	O17	H2	109.5°	114.0°
C10	C9	C4	120.1°	119.6°
C9	C10	C11	119.7°	121.0°
C10	C9	H9	120.0°	120.2°
C9	C10	H10	120.1°	119.5°
C9	C4	C3	120.2°	121.2°
C9	C4	C5	119.9°	119.4°
C4	C9	H9	120.0°	120.2°
C4	C3	C2	119.8°	119.6°
C3	C4	C5	119.9°	119.4°
C4	C3	H3	120.1°	120.2°
C3	C2	O1	120.1°	119.5°
C3	C2	C7	119.9°	120.9°
C2	C3	H3	120.1°	120.2°
O18	P14	C13	108.1°	109.5°
P14	O18	H4	109.5°	114.0°
P14	C13	C11	111.5°	109.5°
P14	C13	P15	108.9°	109.4°
P14	C13	H23	107.5°	109.4°
O1	C2	C7	119.9°	119.6°
C2	O1	H1	109.5°	114.0°
C10	C11	C13	120.4°	119.5°
C10	C11	C12	120.3°	121.0°
C11	C10	H10	120.1°	119.5°
C4	C5	C12	119.9°	119.4°
C4	C5	C6	120.3°	119.5°
C2	C7	C6	120.2°	120.9°
C2	C7	H7	119.9°	119.5°
C13	C11	C12	119.3°	119.5°
C11	C13	P15	109.9°	109.5°
C11	C13	H23	111.6°	109.5°
C11	C12	C5	120.1°	119.7°
C11	C12	H121	120.0°	120.2°
C12	C5	C6	119.8°	121.2°
C5	C12	H121	120.0°	120.1°
C5	C6	C7	119.9°	119.7°
C5	C6	H6	120.0°	120.2°
O19	P15	C13	109.5°	109.5°
O19	P15	O21	108.9°	109.5°
O19	P15	O20	109.4°	109.5°
C7	C6	H6	120.0°	120.1°
C6	C7	H7	119.9°	119.5°
C13	P15	O21	108.3°	109.5°
C13	P15	O20	111.0°	109.4°
P15	C13	H23	107.4°	109.5°
O21	P15	O20	109.8°	109.5°
P15	O21	H8	109.5°	114.0°
P15	O20	H5	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	P14	O17	O18	119.4°	120.1°
O16	P14	O17	C13	122.4°	120.0°
O16	P14	O18	C13	121.5°	120.0°
O16	P14	C13	C11	45.2°	165.0°
O16	P14	C13	P15	166.6°	45.0°
O16	P14	C13	H23	77.4°	75.0°
O16	P14	O17	H2	0.0°	180.0°
O16	P14	O18	H4	0.0°	60.0°
O17	P14	O18	C13	119.1°	119.9°
O17	P14	C13	C11	75.8°	75.0°
O17	P14	C13	P15	45.6°	165.0°
O17	P14	C13	H23	161.6°	45.0°
O17	P14	O18	H4	119.4°	60.1°
C10	C9	C4	H9	180.0°	179.9°
C10	C9	C4	C3	179.9°	180.0°
C9	C10	C11	H10	180.0°	180.0°
C10	C9	C4	C5	0.2°	0.0°
C9	C10	C11	C13	179.4°	180.0°
C9	C10	C11	C12	0.4°	0.0°
C9	C4	C3	C5	179.9°	180.0°
C9	C4	C3	C2	179.8°	180.0°
C4	C9	C10	C11	0.2°	0.0°
C9	C4	C5	C12	0.2°	0.0°
C9	C4	C5	C6	179.6°	180.0°
C9	C4	C3	H3	0.2°	0.0°
C4	C9	C10	H10	179.9°	179.9°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	O1	179.8°	180.0°
C4	C3	C2	C7	0.2°	0.3°
C3	C4	C5	C12	179.9°	180.0°
C3	C4	C5	C6	0.3°	0.0°
C3	C4	C9	H9	0.1°	0.0°
C3	C2	O1	C7	179.6°	179.7°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C7	C6	0.3°	0.5°
C3	C2	O1	H1	180.0°	89.8°
C3	C2	C7	H7	179.7°	179.7°
O18	P14	C13	C11	165.3°	45.0°
O18	P14	C13	P15	73.4°	75.0°
O18	P14	C13	H23	42.7°	165.0°
O18	P14	O17	H2	119.4°	59.9°
P14	C13	C11	C10	61.0°	60.0°
P14	C13	C11	P15	120.8°	120.0°
P14	C13	C11	H23	120.2°	120.0°
P14	C13	C11	C12	120.0°	120.0°
P14	C13	P15	O19	38.9°	60.0°
P14	C13	P15	H23	116.1°	120.0°
P14	C13	P15	O21	79.7°	60.0°
P14	C13	P15	O20	159.7°	180.0°
C13	P14	O17	H2	122.4°	60.0°
C13	P14	O18	H4	121.5°	180.0°
O1	C2	C7	C6	179.9°	179.7°
O1	C2	C3	H3	0.2°	0.0°
O1	C2	C7	H7	0.1°	0.0°
C10	C11	C13	C12	179.0°	180.0°
C10	C11	C12	C5	0.4°	0.0°
C10	C11	C13	P15	59.7°	60.0°
C11	C10	C9	H9	179.9°	179.9°
C10	C11	C12	H121	179.6°	180.0°
C10	C11	C13	H23	178.8°	180.0°
C4	C5	C12	C11	0.1°	0.0°
C4	C5	C12	C6	179.8°	180.0°
C4	C5	C6	C7	0.4°	0.3°
C5	C4	C3	H3	179.8°	180.0°
C4	C5	C6	H6	179.6°	179.9°
C5	C4	C9	H9	179.8°	180.0°
C4	C5	C12	H121	179.9°	180.0°
C2	C7	C6	C5	0.4°	0.5°
C2	C7	C6	H7	180.0°	179.8°
C7	C2	O1	H1	0.4°	89.9°
C7	C2	C3	H3	179.8°	179.7°
C2	C7	C6	H6	179.6°	179.6°
C13	C11	C12	C5	179.4°	180.0°
C11	C13	P15	O19	83.4°	60.0°
C11	C13	P15	H23	121.6°	120.1°
C11	C13	P15	O21	158.0°	180.0°
C11	C13	P15	O20	37.4°	60.0°
C13	C11	C10	H10	0.6°	0.0°
C13	C11	C12	H121	0.6°	0.0°
C11	C12	C5	H121	180.0°	180.0°
C11	C12	C5	C6	179.9°	180.0°
C12	C11	C13	P15	119.2°	120.1°
C12	C11	C10	H10	179.6°	180.0°
C12	C11	C13	H23	0.2°	0.0°
C12	C5	C6	C7	179.8°	179.8°
C12	C5	C6	H6	0.2°	0.0°
C5	C6	C7	H6	180.0°	179.8°
C5	C6	C7	H7	179.6°	179.7°
C6	C5	C12	H121	0.1°	0.0°
O19	P15	C13	O21	118.6°	120.0°
O19	P15	C13	O20	120.9°	120.0°
O19	P15	O21	O20	119.7°	120.0°
O19	P15	C13	H23	154.9°	180.0°
O19	P15	O20	H5	0.0°	180.0°
O19	P15	O21	H8	0.0°	60.0°
C13	P15	O21	O20	121.3°	119.9°
C13	P15	O20	H5	120.9°	60.0°
C13	P15	O21	H8	119.0°	179.9°
O21	P15	C13	H23	36.4°	59.9°
O21	P15	O20	H5	119.4°	60.0°
O20	P15	C13	H23	84.2°	60.0°
O20	P15	O21	H8	119.7°	60.0°
H6	C6	C7	H7	0.4°	0.1°
H9	C9	C10	H10	0.1°	0.0°

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