Y4T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C15	doub	1.31Å	1.31Å
C15	C14	sing	1.51Å	1.49Å
C14	C13	sing	1.51Å	1.52Å
C3	C4	sing	1.51Å	1.47Å
C3	C2	sing	1.51Å	1.47Å
C13	C17	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.39Å	1.39Å	Aromatic
C17	C9	sing	1.39Å	1.39Å	Aromatic
C1	C2	doub	1.31Å	1.30Å
C4	C18	doub	1.38Å	1.37Å	Aromatic
C4	C5	sing	1.38Å	1.37Å	Aromatic
C18	C8	sing	1.39Å	1.39Å	Aromatic
O2	C12	sing	1.36Å	1.36Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.48Å	1.48Å
C9	C10	doub	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.39Å	1.38Å	Aromatic
C7	O1	sing	1.36Å	1.37Å
C11	C10	sing	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
O1	H3	sing	0.97Å	0.95Å
C2	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.08Å	1.08Å
C6	H8	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.08Å	1.08Å
C16	H14	sing	1.08Å	1.08Å
C16	H15	sing	1.08Å	1.08Å
C17	H16	sing	1.08Å	1.08Å
C18	H17	sing	1.08Å	1.08Å
O2	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	125.9°	120.0°
C16	C15	H13	117.0°	120.0°
C15	C16	H14	120.0°	120.0°
C15	C16	H15	120.0°	120.0°
C15	C14	C13	113.6°	109.5°
C15	C14	H11	108.4°	109.4°
C15	C14	H12	108.4°	109.6°
C14	C15	H13	117.1°	120.0°
C14	C13	C17	120.4°	120.0°
C14	C13	C12	120.9°	119.9°
C13	C14	H11	108.4°	109.5°
C13	C14	H12	108.4°	109.5°
C4	C3	C2	111.6°	109.5°
C3	C4	C18	122.6°	119.9°
C3	C4	C5	119.2°	119.8°
C4	C3	H5	108.9°	109.4°
C4	C3	H6	108.9°	109.5°
C3	C2	C1	123.3°	120.0°
C3	C2	H4	118.4°	120.0°
C2	C3	H5	108.9°	109.4°
C2	C3	H6	109.0°	109.5°
C17	C13	C12	118.7°	120.1°
C13	C17	C9	122.1°	119.9°
C13	C17	H16	118.9°	120.0°
C13	C12	O2	119.2°	119.9°
C13	C12	C11	120.4°	120.1°
C17	C9	C8	120.4°	120.1°
C17	C9	C10	117.8°	119.9°
C9	C17	H16	119.0°	120.1°
C2	C1	H1	120.0°	120.0°
C2	C1	H2	120.0°	120.0°
C1	C2	H4	118.4°	120.0°
C18	C4	C5	118.2°	120.3°
C4	C18	C8	122.7°	119.9°
C4	C18	H17	118.6°	120.1°
C4	C5	C6	121.0°	120.3°
C4	C5	H7	119.5°	119.9°
C18	C8	C9	119.3°	120.1°
C18	C8	C7	117.8°	119.7°
C8	C18	H17	118.6°	120.0°
O2	C12	C11	120.4°	119.9°
C12	O2	H18	109.5°	114.0°
C12	C11	C10	119.7°	120.0°
C12	C11	H10	120.2°	120.0°
C5	C6	C7	120.4°	120.1°
C6	C5	H7	119.5°	119.8°
C5	C6	H8	119.8°	120.0°
C8	C9	C10	121.7°	120.1°
C9	C8	C7	122.8°	120.2°
C9	C10	C11	121.3°	120.0°
C9	C10	H9	119.4°	120.0°
C8	C7	C6	119.8°	119.8°
C8	C7	O1	121.4°	120.1°
C6	C7	O1	118.8°	120.1°
C7	C6	H8	119.8°	119.9°
C7	O1	H3	109.5°	114.0°
C11	C10	H9	119.4°	120.0°
C10	C11	H10	120.2°	120.0°
H1	C1	H2	120.0°	120.0°
H5	C3	H6	109.5°	109.5°
H11	C14	H12	109.5°	109.4°
H14	C16	H15	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H13	180.0°	179.9°
C16	C15	C14	C13	54.4°	125.1°
C16	C15	C14	H11	175.1°	5.1°
C16	C15	C14	H12	66.2°	114.9°
C15	C16	H14	H15	180.0°	179.9°
C15	C14	C13	H11	120.6°	119.9°
C15	C14	C13	H12	120.6°	120.1°
C15	C14	C13	C17	58.1°	100.0°
C15	C14	C13	C12	121.3°	80.5°
C15	C14	H11	H12	118.1°	120.1°
C14	C15	C16	H14	180.0°	0.1°
C14	C15	C16	H15	0.0°	180.0°
C14	C13	C17	C12	179.3°	179.5°
C14	C13	C17	C9	180.0°	180.0°
C14	C13	C12	O2	0.5°	0.3°
C14	C13	C12	C11	179.9°	179.7°
C13	C14	H11	H12	118.1°	120.0°
C13	C14	C15	H13	125.6°	55.1°
C14	C13	C17	H16	0.0°	0.5°
C4	C3	C2	H5	120.3°	119.9°
C4	C3	C2	H6	120.3°	120.1°
C4	C3	C2	C1	160.3°	125.1°
C3	C4	C18	C5	179.8°	179.7°
C3	C4	C18	C8	179.9°	179.9°
C3	C4	C5	C6	178.4°	180.0°
C4	C3	C2	H4	19.7°	55.0°
C4	C3	H5	H6	119.0°	120.0°
C3	C4	C5	H7	1.6°	0.1°
C3	C4	C18	H17	0.2°	0.3°
C3	C2	C1	H4	180.0°	180.0°
C2	C3	C4	C18	127.0°	90.0°
C2	C3	C4	C5	53.2°	89.7°
C3	C2	C1	H1	0.0°	0.1°
C3	C2	C1	H2	180.0°	179.8°
C2	C3	H5	H6	119.0°	120.0°
C13	C17	C9	H16	180.0°	179.5°
C17	C13	C12	O2	179.9°	179.8°
C17	C13	C12	C11	0.5°	0.3°
C13	C17	C9	C8	179.9°	179.7°
C13	C17	C9	C10	0.6°	0.5°
C17	C13	C14	H11	62.5°	140.0°
C17	C13	C14	H12	178.7°	20.1°
C12	C13	C17	C9	0.7°	0.5°
C13	C12	O2	C11	179.6°	179.9°
C13	C12	C11	C10	0.4°	0.0°
C13	C12	C11	H10	179.6°	180.0°
C12	C13	C14	H11	118.1°	39.4°
C12	C13	C14	H12	0.6°	159.4°
C12	C13	C17	H16	179.3°	180.0°
C13	C12	O2	H18	180.0°	90.1°
C17	C9	C8	C18	70.5°	129.7°
C17	C9	C8	C10	179.5°	179.8°
C17	C9	C8	C7	108.6°	50.2°
C17	C9	C10	C11	0.4°	0.2°
C17	C9	C10	H9	179.6°	179.8°
C2	C1	H1	H2	180.0°	179.8°
C1	C2	C3	H5	39.9°	115.0°
C1	C2	C3	H6	79.4°	5.0°
C4	C18	C8	H17	180.0°	179.8°
C18	C4	C5	C6	1.4°	0.3°
C4	C18	C8	C9	179.7°	180.0°
C4	C18	C8	C7	0.6°	0.0°
C18	C4	C3	H5	6.6°	29.9°
C18	C4	C3	H6	112.7°	150.0°
C18	C4	C5	H7	178.6°	179.8°
C5	C4	C18	C8	0.1°	0.2°
C4	C5	C6	H7	180.0°	179.9°
C4	C5	C6	C7	2.4°	0.1°
C5	C4	C3	H5	173.6°	150.4°
C5	C4	C3	H6	67.1°	30.3°
C4	C5	C6	H8	177.6°	180.0°
C5	C4	C18	H17	180.0°	180.0°
C18	C8	C9	C7	179.1°	179.9°
C18	C8	C9	C10	109.0°	50.1°
C18	C8	C7	C6	0.4°	0.3°
C18	C8	C7	O1	179.8°	180.0°
O2	C12	C11	C10	179.9°	179.9°
O2	C12	C11	H10	0.0°	0.0°
C12	C11	C10	C9	0.3°	0.0°
C12	C11	C10	H10	180.0°	180.0°
C12	C11	C10	H9	179.7°	180.0°
C11	C12	O2	H18	0.4°	90.0°
C5	C6	C7	C8	1.8°	0.2°
C5	C6	C7	H8	180.0°	179.9°
C5	C6	C7	O1	178.7°	180.0°
C9	C8	C7	C6	178.7°	179.8°
C9	C8	C7	O1	0.7°	0.0°
C8	C9	C10	C11	180.0°	180.0°
C8	C9	C10	H9	0.1°	0.0°
C8	C9	C17	H16	0.1°	0.2°
C9	C8	C18	H17	0.3°	0.2°
C10	C9	C8	C7	71.9°	130.0°
C9	C10	C11	H9	180.0°	180.0°
C9	C10	C11	H10	179.7°	180.0°
C10	C9	C17	H16	179.4°	180.0°
C8	C7	C6	O1	179.5°	179.8°
C8	C7	O1	H3	180.0°	90.0°
C8	C7	C6	H8	178.2°	179.7°
C7	C8	C18	H17	179.4°	179.8°
C6	C7	O1	H3	0.6°	90.2°
C7	C6	C5	H7	177.6°	180.0°
O1	C7	C6	H8	1.3°	0.1°
H1	C1	C2	H4	180.0°	180.0°
H2	C1	C2	H4	0.0°	0.2°
H4	C2	C3	H5	140.1°	64.9°
H4	C2	C3	H6	100.6°	175.0°
H7	C5	C6	H8	2.4°	0.1°
H9	C10	C11	H10	0.3°	0.0°
H11	C14	C15	H13	4.9°	175.0°
H12	C14	C15	H13	113.8°	65.0°
H13	C15	C16	H14	0.0°	NaN°
H13	C15	C16	H15	180.0°	0.1°

Release date:	2023-12-06
Definition date:	2023-11-20
Last modified:	2023-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	8V15