VYT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	O2	sing	1.43Å	1.41Å
O2	C9	sing	1.36Å	1.37Å
O1	C8	sing	1.43Å	1.41Å
O1	C7	sing	1.36Å	1.36Å
C9	C7	doub	1.39Å	1.40Å	Aromatic
C9	C11	sing	1.39Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
O3	C11	sing	1.36Å	1.36Å
O3	C12	sing	1.43Å	1.41Å
C11	C13	doub	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.40Å	1.40Å	Aromatic
C13	C5	sing	1.40Å	1.39Å	Aromatic
C5	N1	sing	1.36Å	1.45Å
N1	N	doub	1.29Å	1.25Å
N	C4	sing	1.36Å	1.44Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C4	C14	sing	1.40Å	1.40Å	Aromatic
C2	C1	doub	1.39Å	1.39Å	Aromatic
C14	C15	doub	1.38Å	1.39Å	Aromatic
C1	C15	sing	1.39Å	1.41Å	Aromatic
C1	O	sing	1.36Å	1.36Å
C15	O4	sing	1.36Å	1.35Å
C	O	sing	1.43Å	1.41Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C6	H5	sing	1.08Å	1.08Å
O4	H17	sing	0.97Å	0.95Å
C3	H4	sing	1.08Å	1.08Å
C2	H3	sing	1.08Å	1.08Å
C	H2	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å
C	H	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O2	C9	111.6°	117.0°
O2	C10	H9	109.5°	109.5°
O2	C10	H10	109.5°	109.5°
O2	C10	H11	109.5°	109.5°
O2	C9	C7	119.3°	119.9°
O2	C9	C11	120.8°	119.9°
C8	O1	C7	117.0°	117.0°
O1	C8	H6	109.5°	109.4°
O1	C8	H7	109.4°	109.5°
O1	C8	H8	109.5°	109.5°
O1	C7	C9	113.9°	119.9°
O1	C7	C6	125.5°	119.9°
C7	C9	C11	119.8°	120.1°
C9	C7	C6	120.6°	120.1°
C9	C11	O3	114.7°	120.0°
C9	C11	C13	120.7°	120.1°
C7	C6	C5	118.2°	119.9°
C7	C6	H5	120.9°	120.1°
C11	O3	C12	116.3°	117.0°
O3	C11	C13	124.5°	119.9°
O3	C12	H12	109.5°	109.5°
O3	C12	H14	109.5°	109.5°
O3	C12	H13	109.4°	109.4°
C11	C13	C5	118.2°	120.0°
C11	C13	H15	120.9°	120.1°
C6	C5	C13	122.5°	119.8°
C6	C5	N1	112.7°	120.0°
C5	C6	H5	120.9°	120.1°
C13	C5	N1	124.7°	120.1°
C5	C13	H15	120.9°	120.0°
C5	N1	N	116.4°	120.0°
N1	N	C4	115.2°	120.0°
N	C4	C3	124.9°	120.1°
N	C4	C14	113.8°	120.1°
C4	C3	C2	119.9°	120.0°
C3	C4	C14	121.3°	119.8°
C4	C3	H4	120.0°	120.0°
C3	C2	C1	119.5°	120.2°
C2	C3	H4	120.1°	120.0°
C3	C2	H3	120.2°	120.0°
C4	C14	C15	118.5°	119.8°
C4	C14	H16	120.8°	120.1°
C2	C1	C15	120.5°	120.1°
C2	C1	O	124.3°	119.9°
C1	C2	H3	120.2°	119.9°
C14	C15	C1	120.2°	120.1°
C14	C15	O4	115.2°	120.0°
C15	C14	H16	120.8°	120.1°
C15	C1	O	115.1°	120.0°
C1	C15	O4	124.5°	120.0°
C1	O	C	115.9°	117.0°
C15	O4	H17	109.5°	114.0°
O	C	H2	109.5°	109.5°
O	C	H1	109.5°	109.5°
O	C	H	109.5°	109.5°
H6	C8	H7	109.5°	109.5°
H6	C8	H8	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H2	C	H1	109.4°	109.4°
H2	C	H	109.5°	109.4°
H1	C	H	109.5°	109.5°
H9	C10	H10	109.5°	109.5°
H9	C10	H11	109.4°	109.5°
H10	C10	H11	109.5°	109.5°
H12	C12	H14	109.5°	109.5°
H12	C12	H13	109.5°	109.4°
H14	C12	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	O2	C9	C7	96.3°	90.0°
C10	O2	C9	C11	87.3°	90.0°
O2	C10	H9	H10	120.0°	120.0°
O2	C10	H9	H11	120.0°	120.0°
O2	C10	H10	H11	120.0°	120.0°
O2	C9	C7	O1	4.0°	0.2°
O2	C9	C7	C11	176.4°	180.0°
O2	C9	C7	C6	174.9°	180.0°
O2	C9	C11	O3	7.0°	0.0°
O2	C9	C11	C13	175.9°	180.0°
C9	O2	C10	H9	180.0°	180.0°
C9	O2	C10	H10	60.0°	60.0°
C9	O2	C10	H11	60.0°	60.0°
C8	O1	C7	C9	174.7°	179.7°
C8	O1	C7	C6	6.5°	0.0°
O1	C8	H6	H7	120.0°	120.0°
O1	C8	H6	H8	120.0°	120.0°
O1	C8	H7	H8	120.0°	120.0°
O1	C7	C9	C6	178.9°	179.8°
O1	C7	C9	C11	179.6°	179.7°
O1	C7	C6	C5	179.8°	179.7°
C7	O1	C8	H6	180.0°	180.0°
C7	O1	C8	H7	60.0°	60.0°
C7	O1	C8	H8	60.0°	60.0°
O1	C7	C6	H5	0.2°	0.3°
C7	C9	C11	O3	176.7°	179.9°
C7	C9	C11	C13	0.4°	0.0°
C9	C7	C6	C5	1.5°	0.0°
C9	C7	C6	H5	178.5°	180.0°
C11	C9	C7	C6	1.5°	0.0°
C9	C11	O3	C13	177.0°	179.9°
C9	C11	O3	C12	157.0°	180.0°
C9	C11	C13	C5	0.6°	0.0°
C9	C11	C13	H15	179.4°	180.0°
C7	C6	C5	H5	180.0°	180.0°
C7	C6	C5	C13	0.4°	0.0°
C7	C6	C5	N1	177.0°	180.0°
O3	C11	C13	C5	177.4°	179.9°
C11	O3	C12	H12	180.0°	60.0°
C11	O3	C12	H14	60.0°	60.0°
C11	O3	C12	H13	60.0°	180.0°
O3	C11	C13	H15	2.6°	0.1°
C12	O3	C11	C13	26.0°	0.1°
O3	C12	H12	H14	120.0°	120.0°
O3	C12	H12	H13	120.0°	119.9°
O3	C12	H14	H13	119.9°	120.0°
C11	C13	C5	C6	0.6°	0.0°
C11	C13	C5	H15	180.0°	180.0°
C11	C13	C5	N1	177.7°	180.0°
C6	C5	C13	N1	177.2°	180.0°
C6	C5	N1	N	165.8°	180.0°
C6	C5	C13	H15	179.5°	180.0°
C13	C5	N1	N	16.8°	0.0°
C13	C5	C6	H5	179.5°	180.0°
C5	N1	N	C4	178.8°	180.0°
N1	C5	C6	H5	3.0°	0.0°
N1	C5	C13	H15	2.3°	0.0°
N1	N	C4	C3	10.4°	0.4°
N1	N	C4	C14	171.2°	180.0°
N	C4	C3	C14	178.3°	179.6°
N	C4	C3	C2	177.9°	179.8°
N	C4	C14	C15	177.7°	179.9°
N	C4	C3	H4	2.1°	0.4°
N	C4	C14	H16	2.3°	0.5°
C4	C3	C2	H4	180.0°	179.8°
C4	C3	C2	C1	0.0°	0.1°
C3	C4	C14	C15	0.7°	0.5°
C4	C3	C2	H3	180.0°	180.0°
C3	C4	C14	H16	179.2°	179.9°
C2	C3	C4	C14	0.4°	0.2°
C3	C2	C1	H3	180.0°	179.9°
C3	C2	C1	C15	0.1°	0.1°
C3	C2	C1	O	177.7°	179.7°
C4	C14	C15	H16	180.0°	179.4°
C4	C14	C15	C1	0.7°	0.5°
C4	C14	C15	O4	179.4°	179.5°
C14	C4	C3	H4	179.6°	180.0°
C2	C1	C15	C14	0.3°	0.2°
C2	C1	C15	O	177.9°	179.7°
C2	C1	C15	O4	178.8°	179.8°
C2	C1	O	C	27.5°	0.3°
C1	C2	C3	H4	180.0°	179.7°
C14	C15	C1	O4	178.5°	180.0°
C14	C15	C1	O	177.5°	180.0°
C14	C15	O4	H17	180.0°	90.0°
C15	C1	O	C	154.7°	180.0°
C1	C15	O4	H17	1.5°	90.0°
C15	C1	C2	H3	180.0°	180.0°
C1	C15	C14	H16	179.3°	180.0°
O	C1	C15	O4	1.0°	0.0°
O	C1	C2	H3	2.3°	0.2°
C1	O	C	H2	180.0°	180.0°
C1	O	C	H1	60.0°	60.0°
C1	O	C	H	60.0°	60.0°
O4	C15	C14	H16	0.6°	0.0°
O	C	H2	H1	120.0°	120.0°
O	C	H2	H	120.0°	120.0°
O	C	H1	H	120.0°	120.0°
H6	C8	H7	H8	120.0°	120.0°
H4	C3	C2	H3	0.0°	0.2°
H2	C	H1	H	120.0°	119.9°
H9	C10	H10	H11	120.0°	120.0°
H12	C12	H14	H13	120.0°	120.0°

Release date:	2023-09-27
Definition date:	2023-09-20
Last modified:	2023-09-22
Release status:	REL
Processing site:	PDBE
Derived from:	7YZ1