FOY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.51Å	1.47Å
C17	C16	doub	1.36Å	1.38Å
C17	C6	sing	1.41Å	1.41Å
C16	C15	sing	1.41Å	1.42Å
C3	N1	doub	1.30Å	1.33Å	Aromatic
C3	C5	sing	1.42Å	1.46Å	Aromatic
N1	O1	sing	1.21Å	1.37Å	Aromatic
C5	C6	sing	1.48Å	1.49Å
C5	C2	doub	1.37Å	1.36Å	Aromatic
C6	C7	doub	1.36Å	1.38Å
C15	O2	doub	1.22Å	1.33Å
C15	N2	sing	1.35Å	1.39Å
O1	C2	sing	1.34Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.49Å
C7	N2	sing	1.36Å	1.34Å
N2	C8	sing	1.47Å	1.48Å
C8	C9	sing	1.51Å	1.53Å
C10	C9	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C9	C14	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C14	C13	doub	1.38Å	1.37Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C4	H15	sing	1.09Å	1.10Å
C4	H16	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	N1	126.1°	126.9°
C4	C3	C5	126.3°	126.8°
C3	C4	H14	109.5°	109.5°
C3	C4	H15	109.5°	109.5°
C3	C4	H16	109.4°	109.5°
C16	C17	C6	118.4°	119.2°
C17	C16	C15	117.0°	119.4°
C16	C17	H9	120.8°	120.5°
C17	C16	H10	121.5°	120.2°
C17	C6	C5	119.9°	120.2°
C17	C6	C7	122.0°	119.7°
C6	C17	H9	120.8°	120.4°
C16	C15	O2	119.5°	119.9°
C16	C15	N2	124.0°	120.3°
C15	C16	H10	121.5°	120.3°
N1	C3	C5	107.6°	106.3°
C3	N1	O1	109.4°	111.9°
C3	C5	C6	126.3°	128.1°
C3	C5	C2	105.6°	103.7°
N1	O1	C2	108.5°	111.8°
C6	C5	C2	128.1°	128.2°
C5	C6	C7	118.1°	120.1°
C5	C2	O1	108.9°	106.3°
C5	C2	C1	131.2°	126.9°
C6	C7	N2	121.6°	120.5°
C6	C7	H8	119.2°	119.7°
O2	C15	N2	116.5°	119.8°
C15	N2	C7	117.1°	120.9°
C15	N2	C8	124.7°	119.6°
O1	C2	C1	119.9°	126.9°
C2	C1	H11	109.5°	109.4°
C2	C1	H12	109.4°	109.5°
C2	C1	H13	109.4°	109.5°
C7	N2	C8	118.2°	119.6°
N2	C7	H8	119.2°	119.7°
N2	C8	C9	109.8°	109.4°
N2	C8	H1	109.4°	109.5°
N2	C8	H2	109.4°	109.5°
C8	C9	C10	120.4°	120.0°
C8	C9	C14	120.4°	120.0°
C9	C8	H1	109.4°	109.5°
C9	C8	H2	109.4°	109.5°
C9	C10	C11	122.4°	120.0°
C10	C9	C14	119.0°	120.0°
C9	C10	H3	118.8°	120.0°
C10	C11	C12	118.3°	120.0°
C11	C10	H3	118.8°	120.0°
C10	C11	H4	120.8°	120.0°
C9	C14	C13	118.5°	120.0°
C9	C14	H7	120.8°	120.0°
C11	C12	C13	118.8°	120.0°
C12	C11	H4	120.9°	120.0°
C11	C12	H5	120.6°	120.0°
C14	C13	C12	122.8°	120.0°
C14	C13	H6	118.5°	120.0°
C13	C14	H7	120.8°	120.0°
C13	C12	H5	120.6°	120.0°
C12	C13	H6	118.6°	120.0°
H1	C8	H2	109.5°	109.5°
H11	C1	H12	109.5°	109.5°
H11	C1	H13	109.4°	109.5°
H12	C1	H13	109.5°	109.5°
H14	C4	H15	109.5°	109.5°
H14	C4	H16	109.5°	109.4°
H15	C4	H16	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	N1	C5	178.7°	179.6°
C4	C3	N1	O1	178.2°	180.0°
C4	C3	C5	C6	2.8°	0.3°
C4	C3	C5	C2	179.0°	180.0°
C3	C4	H14	H15	120.0°	120.1°
C3	C4	H14	H16	120.0°	120.0°
C3	C4	H15	H16	120.0°	120.0°
C16	C17	C6	H9	180.0°	179.5°
C17	C16	C15	H10	180.0°	179.4°
C16	C17	C6	C5	179.5°	179.7°
C16	C17	C6	C7	0.5°	0.2°
C17	C16	C15	O2	177.2°	179.7°
C17	C16	C15	N2	0.5°	0.6°
C6	C17	C16	C15	0.4°	0.6°
C17	C6	C5	C3	49.5°	89.7°
C17	C6	C5	C7	179.1°	180.0°
C17	C6	C5	C2	132.6°	90.0°
C17	C6	C7	N2	0.5°	0.1°
C17	C6	C7	H8	179.5°	180.0°
C6	C17	C16	H10	179.6°	180.0°
C16	C15	O2	N2	177.9°	179.7°
C16	C15	N2	C7	0.6°	0.3°
C16	C15	N2	C8	178.1°	179.7°
C15	C16	C17	H9	179.6°	179.9°
N1	C3	C5	C6	178.6°	179.9°
N1	C3	C5	C2	0.3°	0.4°
C3	N1	O1	C2	1.1°	0.3°
N1	C3	C4	H14	0.0°	89.9°
N1	C3	C4	H15	120.0°	150.0°
N1	C3	C4	H16	120.0°	30.0°
C5	C3	N1	O1	0.5°	0.4°
C3	C5	C6	C2	177.9°	179.7°
C3	C5	C6	C7	129.5°	90.3°
C3	C5	C2	O1	1.0°	0.2°
C3	C5	C2	C1	179.6°	179.8°
C5	C3	C4	H14	178.4°	90.5°
C5	C3	C4	H15	61.6°	29.5°
C5	C3	C4	H16	58.4°	149.5°
N1	O1	C2	C5	1.3°	0.0°
N1	O1	C2	C1	179.2°	180.0°
C6	C5	C2	O1	179.2°	180.0°
C6	C5	C2	C1	1.3°	0.0°
C5	C6	C7	N2	179.6°	180.0°
C5	C6	C7	H8	0.4°	0.0°
C5	C6	C17	H9	0.5°	0.2°
C2	C5	C6	C7	48.4°	90.0°
C5	C2	O1	C1	179.5°	180.0°
C5	C2	C1	H11	179.4°	90.0°
C5	C2	C1	H12	59.4°	150.0°
C5	C2	C1	H13	60.6°	30.0°
C6	C7	N2	C15	0.6°	0.0°
C6	C7	N2	H8	180.0°	180.0°
C6	C7	N2	C8	178.2°	180.0°
C7	C6	C17	H9	179.5°	179.7°
O2	C15	N2	C7	177.3°	180.0°
O2	C15	N2	C8	4.1°	0.0°
O2	C15	C16	H10	2.7°	0.3°
C15	N2	C7	C8	178.7°	180.0°
C15	N2	C8	C9	106.5°	90.0°
C15	N2	C8	H1	133.4°	150.0°
C15	N2	C8	H2	13.5°	30.0°
C15	N2	C7	H8	179.4°	180.0°
N2	C15	C16	H10	179.5°	180.0°
O1	C2	C1	H11	0.0°	90.0°
O1	C2	C1	H12	120.0°	30.0°
O1	C2	C1	H13	120.0°	150.1°
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
C7	N2	C8	C9	74.9°	90.0°
C7	N2	C8	H1	45.2°	30.0°
C7	N2	C8	H2	165.1°	150.0°
N2	C8	C9	H1	120.1°	120.0°
N2	C8	C9	H2	120.1°	120.0°
N2	C8	C9	C10	49.2°	89.8°
N2	C8	C9	C14	125.9°	90.0°
N2	C8	H1	H2	119.9°	120.0°
C8	N2	C7	H8	1.8°	0.0°
C8	C9	C10	C14	175.2°	179.8°
C8	C9	C10	C11	177.5°	180.0°
C8	C9	C14	C13	178.3°	179.8°
C9	C8	H1	H2	119.8°	120.0°
C8	C9	C10	H3	2.5°	0.1°
C8	C9	C14	H7	1.7°	0.1°
C9	C10	C11	H3	180.0°	180.0°
C9	C10	C11	C12	0.5°	0.0°
C10	C9	C14	C13	3.1°	0.4°
C10	C9	C8	H1	169.3°	150.2°
C10	C9	C8	H2	70.8°	30.2°
C9	C10	C11	H4	179.5°	180.0°
C10	C9	C14	H7	176.9°	179.7°
C11	C10	C9	C14	2.3°	0.2°
C10	C11	C12	H4	180.0°	180.0°
C10	C11	C12	C13	2.5°	0.0°
C10	C11	C12	H5	177.5°	180.0°
C9	C14	C13	H7	180.0°	179.8°
C9	C14	C13	C12	1.2°	0.4°
C14	C9	C8	H1	5.8°	30.0°
C14	C9	C8	H2	114.1°	150.0°
C14	C9	C10	H3	177.6°	179.7°
C9	C14	C13	H6	178.8°	179.8°
C11	C12	C13	C14	1.7°	0.2°
C11	C12	C13	H5	180.0°	180.0°
C12	C11	C10	H3	179.5°	180.0°
C11	C12	C13	H6	178.3°	180.0°
C14	C13	C12	H6	180.0°	179.8°
C14	C13	C12	H5	178.3°	179.8°
C13	C12	C11	H4	177.5°	180.0°
C12	C13	C14	H7	178.8°	179.8°
H3	C10	C11	H4	0.5°	0.0°
H4	C11	C12	H5	2.5°	0.0°
H5	C12	C13	H6	1.7°	0.0°
H6	C13	C14	H7	1.2°	0.1°
H9	C17	C16	H10	0.4°	0.5°
H11	C1	H12	H13	120.0°	120.0°
H14	C4	H15	H16	120.0°	119.9°

Release date:	2018-09-26
Definition date:	2018-04-11
Last modified:	2018-09-21
Release status:	REL
Processing site:	RCSB
Derived from:	6CZV