D6U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	O3	sing	1.43Å	1.40Å
O3	C6	sing	1.36Å	1.40Å
C5	C6	doub	1.39Å	1.46Å	Aromatic
C5	C4	sing	1.38Å	1.45Å	Aromatic
C6	C1	sing	1.39Å	1.39Å	Aromatic
C4	C3	doub	1.40Å	1.37Å	Aromatic
C1	O1	sing	1.36Å	1.31Å
C1	C2	doub	1.39Å	1.50Å	Aromatic
O1	C11	sing	1.36Å	1.13Å
C3	C2	sing	1.41Å	1.36Å	Aromatic
C3	C7	sing	1.47Å	1.49Å
C2	C8	sing	1.47Å	1.61Å
C12	C11	doub	1.38Å	1.42Å	Aromatic
C12	C13	sing	1.38Å	1.11Å	Aromatic
C11	C10	sing	1.40Å	1.49Å	Aromatic
C7	O2	doub	1.22Å	1.18Å
C7	N1	sing	1.35Å	1.32Å
C13	C14	doub	1.39Å	1.01Å	Aromatic
C8	N1	sing	1.39Å	1.24Å
C8	C9	doub	1.36Å	1.49Å
C10	C9	sing	1.48Å	1.40Å
C10	C15	doub	1.40Å	1.61Å	Aromatic
N1	C16	sing	1.47Å	1.45Å
N2	C20	doub	1.32Å	1.34Å	Aromatic
N2	C19	sing	1.32Å	1.36Å	Aromatic
C14	C15	sing	1.39Å	1.19Å	Aromatic
C14	O4	sing	1.36Å	1.41Å
C20	C21	sing	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.51Å	1.54Å
C18	O4	sing	1.43Å	1.41Å
C19	C23	doub	1.38Å	1.40Å	Aromatic
C21	C22	doub	1.39Å	1.36Å	Aromatic
C23	C22	sing	1.39Å	1.37Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C9	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C15	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C18	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.08Å	1.08Å
C21	H16	sing	1.08Å	1.08Å
C22	H17	sing	1.08Å	1.08Å
C23	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	O3	C6	114.0°	117.0°
O3	C17	H10	109.5°	109.5°
O3	C17	H11	109.5°	109.5°
O3	C17	H12	109.5°	109.5°
O3	C6	C5	120.4°	120.0°
O3	C6	C1	118.9°	120.1°
C6	C5	C4	121.8°	121.3°
C5	C6	C1	120.7°	119.9°
C6	C5	H2	119.1°	119.4°
C5	C4	C3	118.8°	119.7°
C5	C4	H1	120.6°	120.2°
C4	C5	H2	119.1°	119.3°
C6	C1	O1	122.1°	113.1°
C6	C1	C2	112.5°	118.8°
C4	C3	C2	118.3°	118.6°
C4	C3	C7	132.8°	135.2°
C3	C4	H1	120.6°	120.1°
O1	C1	C2	125.4°	128.1°
C1	O1	C11	134.7°	128.7°
C1	C2	C3	127.9°	121.7°
C1	C2	C8	130.0°	131.4°
O1	C11	C12	119.4°	110.5°
O1	C11	C10	132.0°	130.0°
C2	C3	C7	108.9°	106.2°
C3	C2	C8	102.1°	106.9°
C3	C7	O2	126.7°	125.4°
C3	C7	N1	105.6°	109.3°
C2	C8	N1	106.1°	107.5°
C2	C8	C9	121.2°	126.3°
C11	C12	C13	128.6°	120.3°
C12	C11	C10	108.6°	119.6°
C11	C12	H4	115.8°	119.8°
C12	C13	C14	128.1°	120.4°
C13	C12	H4	115.7°	119.8°
C12	C13	H5	116.0°	119.8°
C11	C10	C9	134.3°	129.3°
C11	C10	C15	108.6°	119.9°
O2	C7	N1	127.7°	125.4°
C7	N1	C8	117.3°	110.1°
C7	N1	C16	121.1°	125.0°
C13	C14	C15	129.7°	120.0°
C13	C14	O4	117.8°	120.0°
C14	C13	H5	116.0°	119.8°
N1	C8	C9	132.7°	126.2°
C8	N1	C16	121.6°	124.9°
C8	C9	C10	122.5°	126.2°
C8	C9	H3	118.8°	116.9°
C9	C10	C15	117.1°	110.8°
C10	C9	H3	118.8°	116.9°
C10	C15	C14	116.5°	119.9°
C10	C15	H6	121.8°	120.1°
N1	C16	H7	109.5°	109.4°
N1	C16	H8	109.5°	109.5°
N1	C16	H9	109.5°	109.5°
C20	N2	C19	120.6°	121.7°
N2	C20	C21	120.7°	120.8°
N2	C20	H15	119.7°	119.6°
N2	C19	C18	120.0°	119.6°
N2	C19	C23	119.4°	120.8°
C15	C14	O4	112.4°	120.0°
C14	C15	H6	121.8°	120.0°
C14	O4	C18	119.4°	117.0°
C20	C21	C22	120.0°	119.2°
C21	C20	H15	119.7°	119.6°
C20	C21	H16	120.0°	120.4°
C19	C18	O4	110.6°	109.5°
C18	C19	C23	120.6°	119.6°
C19	C18	H13	109.2°	109.4°
C19	C18	H14	109.2°	109.5°
O4	C18	H13	109.2°	109.5°
O4	C18	H14	109.2°	109.5°
C19	C23	C22	119.6°	119.2°
C19	C23	H18	120.2°	120.4°
C21	C22	C23	119.7°	118.4°
C22	C21	H16	120.0°	120.4°
C21	C22	H17	120.1°	120.8°
C23	C22	H17	120.1°	120.8°
C22	C23	H18	120.2°	120.4°
H7	C16	H8	109.4°	109.5°
H7	C16	H9	109.5°	109.5°
H8	C16	H9	109.5°	109.4°
H10	C17	H11	109.5°	109.4°
H10	C17	H12	109.5°	109.5°
H11	C17	H12	109.5°	109.5°
H13	C18	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	O3	C6	C5	22.6°	0.0°
C17	O3	C6	C1	158.3°	180.0°
O3	C17	H10	H11	120.0°	120.0°
O3	C17	H10	H12	120.0°	120.1°
O3	C17	H11	H12	120.0°	120.0°
O3	C6	C5	C1	179.1°	180.0°
O3	C6	C5	C4	179.6°	180.0°
O3	C6	C1	O1	0.8°	0.0°
O3	C6	C1	C2	179.9°	179.7°
O3	C6	C5	H2	0.3°	0.0°
C6	O3	C17	H10	180.0°	60.0°
C6	O3	C17	H11	60.0°	179.9°
C6	O3	C17	H12	60.0°	60.1°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	C3	0.2°	0.0°
C5	C6	C1	O1	179.9°	180.0°
C5	C6	C1	C2	1.0°	0.3°
C6	C5	C4	H1	179.7°	179.7°
C4	C5	C6	C1	0.6°	0.0°
C5	C4	C3	H1	180.0°	179.7°
C5	C4	C3	C2	0.5°	0.4°
C5	C4	C3	C7	179.7°	179.7°
C6	C1	O1	C2	179.0°	179.7°
C6	C1	O1	C11	179.4°	179.2°
C6	C1	C2	C3	0.8°	0.6°
C6	C1	C2	C8	179.9°	180.0°
C1	C6	C5	H2	179.4°	179.9°
C4	C3	C2	C1	0.1°	0.7°
C4	C3	C2	C7	179.4°	180.0°
C4	C3	C2	C8	179.5°	179.8°
C4	C3	C7	O2	0.6°	0.1°
C4	C3	C7	N1	179.1°	179.9°
C3	C4	C5	H2	179.8°	180.0°
O1	C1	C2	C3	179.9°	179.7°
O1	C1	C2	C8	0.8°	0.3°
C1	O1	C11	C12	179.9°	179.3°
C1	O1	C11	C10	0.4°	0.6°
C2	C1	O1	C11	0.5°	0.4°
C1	C2	C3	C8	179.5°	179.5°
C1	C2	C3	C7	179.3°	179.4°
C1	C2	C8	N1	179.1°	179.3°
C1	C2	C8	C9	0.6°	0.8°
O1	C11	C12	C10	179.7°	179.9°
O1	C11	C12	C13	178.9°	179.9°
O1	C11	C10	C9	0.8°	0.3°
O1	C11	C10	C15	179.3°	180.0°
O1	C11	C12	H4	1.1°	0.0°
C2	C3	C7	O2	179.9°	179.9°
C2	C3	C7	N1	0.1°	0.1°
C3	C2	C8	N1	0.4°	0.2°
C3	C2	C8	C9	179.9°	179.7°
C2	C3	C4	H1	179.5°	179.9°
C7	C3	C2	C8	0.1°	0.2°
C3	C7	O2	N1	179.7°	180.0°
C3	C7	N1	C8	0.4°	0.1°
C3	C7	N1	C16	179.7°	179.9°
C7	C3	C4	H1	0.3°	0.0°
C2	C8	N1	C7	0.5°	0.2°
C2	C8	N1	C9	179.7°	179.9°
C2	C8	C9	C10	0.1°	0.6°
C2	C8	N1	C16	179.8°	179.8°
C2	C8	C9	H3	179.9°	179.9°
C11	C12	C13	H4	180.0°	180.0°
C11	C12	C13	C14	1.1°	0.0°
C12	C11	C10	C9	179.6°	179.6°
C12	C11	C10	C15	0.3°	0.0°
C11	C12	C13	H5	178.9°	179.9°
C13	C12	C11	C10	0.8°	0.0°
C12	C13	C14	H5	180.0°	179.9°
C12	C13	C14	C15	0.9°	0.0°
C12	C13	C14	O4	179.0°	180.0°
C11	C10	C9	C8	0.8°	0.3°
C11	C10	C9	C15	179.9°	179.7°
C11	C10	C15	C14	0.2°	0.1°
C11	C10	C9	H3	179.2°	179.5°
C10	C11	C12	H4	179.2°	180.0°
C11	C10	C15	H6	179.8°	180.0°
O2	C7	N1	C8	179.8°	180.0°
O2	C7	N1	C16	0.5°	0.1°
C7	N1	C8	C16	179.3°	179.9°
C7	N1	C8	C9	179.8°	179.8°
C7	N1	C16	H7	180.0°	0.0°
C7	N1	C16	H8	60.0°	120.0°
C7	N1	C16	H9	60.0°	120.0°
C13	C14	C15	C10	0.4°	0.1°
C13	C14	C15	O4	179.9°	180.0°
C13	C14	O4	C18	17.6°	0.0°
C14	C13	C12	H4	178.9°	180.0°
C13	C14	C15	H6	179.6°	180.0°
N1	C8	C9	C10	179.8°	179.5°
N1	C8	C9	H3	0.2°	0.2°
C8	N1	C16	H7	0.7°	180.0°
C8	N1	C16	H8	119.2°	60.0°
C8	N1	C16	H9	120.8°	60.0°
C8	C9	C10	H3	180.0°	179.3°
C8	C9	C10	C15	179.3°	179.9°
C9	C8	N1	C16	0.6°	0.3°
C9	C10	C15	C14	179.8°	179.6°
C9	C10	C15	H6	0.2°	0.3°
C10	C15	C14	H6	180.0°	179.9°
C10	C15	C14	O4	179.6°	179.9°
C15	C10	C9	H3	0.7°	0.8°
N1	C16	H7	H8	120.0°	120.0°
N1	C16	H7	H9	120.0°	120.0°
N1	C16	H8	H9	120.0°	120.0°
N2	C20	C21	H15	180.0°	179.9°
C20	N2	C19	C18	179.6°	180.0°
C20	N2	C19	C23	0.4°	0.1°
N2	C20	C21	C22	0.2°	0.0°
N2	C20	C21	H16	179.7°	179.9°
C19	N2	C20	C21	0.4°	0.1°
N2	C19	C18	C23	180.0°	179.9°
N2	C19	C18	O4	168.4°	179.9°
N2	C19	C23	C22	0.2°	0.1°
N2	C19	C18	H13	71.4°	60.0°
N2	C19	C18	H14	48.3°	59.9°
C19	N2	C20	H15	179.6°	180.0°
N2	C19	C23	H18	179.9°	180.0°
C15	C14	O4	C18	162.4°	180.0°
C15	C14	C13	H5	179.1°	180.0°
C14	O4	C18	C19	146.0°	180.0°
O4	C14	C13	H5	0.9°	0.1°
O4	C14	C15	H6	0.5°	0.0°
C14	O4	C18	H13	93.8°	60.0°
C14	O4	C18	H14	25.9°	60.0°
C20	C21	C22	H16	180.0°	179.9°
C20	C21	C22	C23	0.0°	0.0°
C20	C21	C22	H17	180.0°	180.0°
C19	C18	O4	H13	120.2°	120.0°
C19	C18	O4	H14	120.2°	120.0°
C18	C19	C23	C22	179.9°	180.0°
C19	C18	H13	H14	119.5°	120.0°
C18	C19	C23	H18	0.1°	0.1°
O4	C18	C19	C23	11.6°	0.1°
O4	C18	H13	H14	119.5°	120.0°
C19	C23	C22	C21	0.0°	0.0°
C19	C23	C22	H18	180.0°	179.9°
C23	C19	C18	H13	108.6°	120.1°
C23	C19	C18	H14	131.8°	119.9°
C19	C23	C22	H17	180.0°	179.9°
C21	C22	C23	H17	180.0°	180.0°
C22	C21	C20	H15	179.8°	179.9°
C21	C22	C23	H18	179.9°	179.9°
C23	C22	C21	H16	180.0°	179.9°
H1	C4	C5	H2	0.2°	0.3°
H4	C12	C13	H5	1.1°	0.1°
H7	C16	H8	H9	120.0°	120.0°
H10	C17	H11	H12	120.0°	120.0°
H15	C20	C21	H16	0.3°	0.1°
H16	C21	C22	H17	0.1°	0.1°
H17	C22	C23	H18	0.0°	0.0°

Release date:	2020-07-08
Definition date:	2019-07-12
Last modified:	2020-07-03
Release status:	REL
Processing site:	PDBJ
Derived from:	6KEI