D5U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C16	doub	1.38Å	1.39Å	Aromatic
C14	C11	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.53Å	1.54Å
C9	C8	sing	1.51Å	1.53Å
C10	C11	sing	1.51Å	1.40Å
O2	C8	doub	1.21Å	1.23Å
C11	C12	doub	1.40Å	1.40Å	Aromatic
C15	C13	doub	1.38Å	1.40Å	Aromatic
C8	C3	sing	1.47Å	1.41Å
C12	C13	sing	1.40Å	1.39Å	Aromatic
C12	C17	sing	1.48Å	1.41Å
O1	C7	sing	1.43Å	1.43Å
O1	C5	sing	1.36Å	1.37Å
C3	C5	doub	1.40Å	1.41Å	Aromatic
C3	C1	sing	1.40Å	1.39Å	Aromatic
O3	C17	doub	1.22Å	1.25Å
C17	O4	sing	1.35Å	1.26Å
C5	C6	sing	1.39Å	1.39Å	Aromatic
C1	C2	doub	1.38Å	1.39Å	Aromatic
C6	C4	doub	1.38Å	1.39Å	Aromatic
C2	C4	sing	1.39Å	1.39Å	Aromatic
O4	H1	sing	0.97Å	0.95Å
C13	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.08Å	1.08Å
C14	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.08Å	1.08Å
C2	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
C6	H13	sing	1.08Å	1.08Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C14	C11	122.3°	120.2°
C14	C16	C15	118.7°	120.3°
C14	C16	H4	120.7°	119.9°
C16	C14	H5	118.8°	119.9°
C14	C11	C10	119.1°	120.1°
C14	C11	C12	118.7°	119.9°
C11	C14	H5	118.9°	119.9°
C16	C15	C13	119.5°	120.1°
C16	C15	H3	120.2°	120.0°
C15	C16	H4	120.6°	119.8°
C10	C9	C8	114.4°	109.5°
C9	C10	C11	112.9°	109.5°
C9	C10	H6	108.6°	109.5°
C9	C10	H7	108.6°	109.5°
C10	C9	H8	108.3°	109.5°
C10	C9	H9	108.2°	109.4°
C9	C8	O2	118.4°	120.0°
C9	C8	C3	120.5°	120.0°
C8	C9	H8	108.2°	109.5°
C8	C9	H9	108.2°	109.4°
C10	C11	C12	122.1°	120.0°
C11	C10	H6	108.6°	109.5°
C11	C10	H7	108.6°	109.5°
O2	C8	C3	120.8°	120.0°
C11	C12	C13	118.9°	119.7°
C11	C12	C17	124.2°	120.2°
C15	C13	C12	121.8°	119.9°
C15	C13	H2	119.1°	120.0°
C13	C15	H3	120.3°	119.9°
C8	C3	C5	126.8°	120.2°
C8	C3	C1	115.3°	120.2°
C13	C12	C17	116.8°	120.1°
C12	C13	H2	119.1°	120.1°
C12	C17	O3	122.8°	120.0°
C12	C17	O4	118.1°	120.0°
C7	O1	C5	112.5°	117.0°
O1	C7	H14	109.5°	109.4°
O1	C7	H15	109.5°	109.5°
O1	C7	H16	109.5°	109.5°
O1	C5	C3	118.7°	120.2°
O1	C5	C6	120.6°	120.2°
C5	C3	C1	118.0°	119.6°
C3	C5	C6	120.8°	119.7°
C3	C1	C2	121.6°	119.9°
C3	C1	H10	119.2°	120.1°
O3	C17	O4	119.1°	120.0°
C17	O4	H1	109.5°	117.0°
C5	C6	C4	120.1°	120.1°
C5	C6	H13	119.9°	119.9°
C1	C2	C4	120.2°	120.3°
C2	C1	H10	119.2°	120.0°
C1	C2	H11	119.9°	119.9°
C6	C4	C2	119.4°	120.4°
C6	C4	H12	120.3°	119.8°
C4	C6	H13	119.9°	120.0°
C4	C2	H11	119.9°	119.8°
C2	C4	H12	120.3°	119.8°
H6	C10	H7	109.4°	109.4°
H8	C9	H9	109.5°	109.5°
H14	C7	H15	109.4°	109.5°
H14	C7	H16	109.5°	109.5°
H15	C7	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C14	C11	H5	180.0°	179.8°
C14	C16	C15	H4	180.0°	179.9°
C16	C14	C11	C10	178.8°	180.0°
C16	C14	C11	C12	0.5°	0.6°
C14	C16	C15	C13	0.1°	0.0°
C14	C16	C15	H3	179.9°	180.0°
C11	C14	C16	C15	0.1°	0.3°
C14	C11	C10	C9	54.3°	97.9°
C14	C11	C10	C12	178.3°	179.5°
C14	C11	C12	C13	1.1°	0.6°
C14	C11	C12	C17	179.4°	179.7°
C11	C14	C16	H4	179.9°	179.8°
C14	C11	C10	H6	66.2°	22.1°
C14	C11	C10	H7	174.8°	142.1°
C16	C15	C13	H3	180.0°	179.9°
C16	C15	C13	C12	0.5°	0.1°
C16	C15	C13	H2	179.5°	179.9°
C15	C16	C14	H5	179.9°	179.9°
C10	C9	C8	H8	120.8°	120.0°
C10	C9	C8	H9	120.7°	119.9°
C9	C10	C11	H6	120.5°	120.0°
C9	C10	C11	H7	120.5°	120.0°
C10	C9	C8	O2	128.0°	0.0°
C9	C10	C11	C12	127.4°	81.6°
C10	C9	C8	C3	46.0°	180.0°
C9	C10	H6	H7	118.4°	120.0°
C10	C9	H8	H9	117.8°	120.0°
C8	C9	C10	C11	58.5°	180.0°
C9	C8	O2	C3	173.9°	180.0°
C9	C8	C3	C5	41.5°	180.0°
C9	C8	C3	C1	138.9°	0.3°
C8	C9	C10	H6	179.0°	60.0°
C8	C9	C10	H7	62.1°	60.0°
C8	C9	H8	H9	117.7°	120.0°
C10	C11	C12	C13	179.4°	179.9°
C10	C11	C12	C17	2.3°	0.2°
C10	C11	C14	H5	1.2°	0.2°
C11	C10	H6	H7	118.5°	120.0°
C11	C10	C9	H8	179.2°	60.0°
C11	C10	C9	H9	62.3°	60.0°
O2	C8	C3	C5	144.7°	0.0°
O2	C8	C3	C1	34.9°	179.7°
O2	C8	C9	H8	111.3°	120.0°
O2	C8	C9	H9	7.3°	119.9°
C11	C12	C13	C15	1.1°	0.3°
C11	C12	C13	C17	178.5°	179.7°
C11	C12	C17	O3	40.9°	5.9°
C11	C12	C17	O4	140.5°	173.9°
C11	C12	C13	H2	178.9°	179.8°
C12	C11	C14	H5	179.5°	179.7°
C12	C11	C10	H6	112.1°	158.5°
C12	C11	C10	H7	6.9°	38.5°
C15	C13	C12	H2	180.0°	179.9°
C15	C13	C12	C17	179.6°	180.0°
C13	C15	C16	H4	179.9°	180.0°
C8	C3	C5	O1	0.4°	0.0°
C8	C3	C5	C1	179.6°	179.7°
C8	C3	C5	C6	179.8°	179.8°
C8	C3	C1	C2	179.6°	180.0°
C3	C8	C9	H8	74.8°	59.9°
C3	C8	C9	H9	166.7°	60.1°
C8	C3	C1	H10	0.4°	0.1°
C13	C12	C17	O3	140.8°	174.4°
C13	C12	C17	O4	37.9°	5.8°
C12	C13	C15	H3	179.5°	180.0°
C12	C17	O3	O4	178.6°	179.7°
C12	C17	O4	H1	178.7°	179.7°
C17	C12	C13	H2	0.5°	0.1°
C7	O1	C5	C3	171.1°	180.0°
C7	O1	C5	C6	8.6°	0.2°
O1	C7	H14	H15	120.0°	120.0°
O1	C7	H14	H16	120.0°	120.0°
O1	C7	H15	H16	120.0°	120.0°
O1	C5	C3	C6	179.7°	179.8°
O1	C5	C3	C1	179.1°	179.7°
O1	C5	C6	C4	179.6°	179.7°
O1	C5	C6	H13	0.4°	0.1°
C5	O1	C7	H14	180.0°	180.0°
C5	O1	C7	H15	60.0°	60.0°
C5	O1	C7	H16	60.0°	60.1°
C5	C3	C1	C2	0.8°	0.3°
C3	C5	C6	C4	0.2°	0.5°
C5	C3	C1	H10	179.2°	179.8°
C3	C5	C6	H13	179.9°	179.7°
C1	C3	C5	C6	0.6°	0.5°
C3	C1	C2	H10	180.0°	179.9°
C3	C1	C2	C4	0.6°	0.0°
C3	C1	C2	H11	179.5°	180.0°
O3	C17	O4	H1	0.0°	0.0°
C5	C6	C4	H13	180.0°	179.8°
C5	C6	C4	C2	0.1°	0.3°
C5	C6	C4	H12	179.9°	179.8°
C1	C2	C4	C6	0.1°	0.0°
C1	C2	C4	H11	180.0°	180.0°
C1	C2	C4	H12	179.9°	180.0°
C6	C4	C2	H12	180.0°	179.9°
C6	C4	C2	H11	179.9°	180.0°
C4	C2	C1	H10	179.5°	179.9°
C2	C4	C6	H13	179.9°	180.0°
H2	C13	C15	H3	0.5°	0.1°
H3	C15	C16	H4	0.1°	0.1°
H4	C16	C14	H5	0.1°	0.0°
H6	C10	C9	H8	60.3°	180.0°
H6	C10	C9	H9	58.3°	60.0°
H7	C10	C9	H8	58.7°	60.1°
H7	C10	C9	H9	177.2°	179.9°
H10	C1	C2	H11	0.5°	0.0°
H11	C2	C4	H12	0.1°	0.0°
H12	C4	C6	H13	0.1°	0.0°
H14	C7	H15	H16	120.0°	120.0°

Release date:	2020-04-15
Definition date:	2019-07-04
Last modified:	2020-04-10
Release status:	REL
Processing site:	PDBJ
Derived from:	6KC5