O5C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	sing	1.51Å	1.51Å
O	C3	doub	1.21Å	1.22Å
C3	C2	sing	1.41Å	1.47Å
C	C1	sing	1.51Å	1.50Å
C2	C1	sing	1.41Å	1.45Å	Aromatic
C2	C5	doub	1.42Å	1.41Å	Aromatic
C1	C10	doub	1.38Å	1.41Å	Aromatic
C5	C6	sing	1.40Å	1.42Å	Aromatic
C5	N	sing	1.36Å	1.40Å	Aromatic
C6	C7	doub	1.37Å	1.36Å	Aromatic
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C15	sing	1.39Å	1.37Å	Aromatic
F	C15	sing	1.35Å	1.36Å
C13	C12	sing	1.40Å	1.39Å	Aromatic
C10	N	sing	1.39Å	1.40Å	Aromatic
C10	C11	sing	1.42Å	1.49Å
C15	C16	doub	1.39Å	1.37Å	Aromatic
N	C9	sing	1.36Å	1.39Å	Aromatic
C7	C8	sing	1.40Å	1.42Å	Aromatic
C12	C11	sing	1.48Å	1.49Å
C12	C17	doub	1.40Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.38Å	Aromatic
C11	O1	doub	1.22Å	1.23Å
C9	C8	doub	1.35Å	1.35Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C	H11	sing	1.09Å	1.10Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	O	120.6°	120.0°
C4	C3	C2	120.5°	120.0°
C3	C4	H1	109.5°	109.4°
C3	C4	H2	109.5°	109.5°
C3	C4	H3	109.5°	109.5°
O	C3	C2	118.9°	120.0°
C3	C2	C1	127.7°	126.5°
C3	C2	C5	124.4°	126.5°
C	C1	C2	125.5°	126.2°
C	C1	C10	127.9°	126.2°
C1	C	H11	109.5°	109.4°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.4°	109.5°
C1	C2	C5	107.9°	106.9°
C2	C1	C10	106.5°	107.5°
C2	C5	C6	133.5°	131.9°
C2	C5	N	107.9°	108.0°
C1	C10	N	108.3°	108.9°
C1	C10	C11	130.1°	125.6°
C6	C5	N	118.5°	120.2°
C5	C6	C7	119.4°	119.4°
C5	C6	H4	120.3°	120.3°
C5	N	C10	109.3°	108.7°
C5	N	C9	121.1°	120.2°
C6	C7	C8	120.8°	119.3°
C7	C6	H4	120.3°	120.3°
C6	C7	H5	119.6°	120.3°
C13	C14	C15	118.3°	120.1°
C14	C13	C12	120.7°	119.9°
C14	C13	H7	119.6°	120.1°
C13	C14	H9	120.9°	120.0°
C14	C15	F	118.5°	119.9°
C14	C15	C16	123.0°	120.2°
C15	C14	H9	120.8°	119.9°
F	C15	C16	118.4°	119.9°
C13	C12	C11	121.2°	120.1°
C13	C12	C17	118.8°	119.8°
C12	C13	H7	119.6°	120.1°
N	C10	C11	121.5°	125.6°
C10	N	C9	129.5°	131.1°
C10	C11	C12	119.7°	120.0°
C10	C11	O1	120.2°	120.0°
C15	C16	C17	118.3°	120.1°
C15	C16	H10	120.8°	120.0°
N	C9	C8	119.9°	120.7°
N	C9	H14	120.1°	119.7°
C7	C8	C9	120.3°	120.3°
C8	C7	H5	119.6°	120.4°
C7	C8	H6	119.9°	119.9°
C11	C12	C17	119.7°	120.1°
C12	C11	O1	120.1°	120.0°
C12	C17	C16	120.8°	119.9°
C12	C17	H8	119.6°	120.1°
C16	C17	H8	119.6°	120.0°
C17	C16	H10	120.8°	119.9°
C9	C8	H6	119.8°	119.9°
C8	C9	H14	120.0°	119.6°
H1	C4	H2	109.5°	109.5°
H1	C4	H3	109.5°	109.5°
H2	C4	H3	109.5°	109.5°
H11	C	H12	109.5°	109.5°
H11	C	H13	109.5°	109.5°
H12	C	H13	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	O	C2	179.4°	179.9°
C4	C3	C2	C1	7.9°	87.3°
C4	C3	C2	C5	172.2°	92.4°
C3	C4	H1	H2	120.0°	120.0°
C3	C4	H1	H3	120.0°	120.0°
C3	C4	H2	H3	120.0°	120.0°
O	C3	C2	C1	171.6°	92.6°
O	C3	C2	C5	8.3°	87.7°
O	C3	C4	H1	0.0°	95.0°
O	C3	C4	H2	120.0°	25.0°
O	C3	C4	H3	120.0°	145.0°
C3	C2	C1	C	3.9°	0.1°
C3	C2	C1	C5	179.9°	179.8°
C3	C2	C1	C10	178.8°	180.0°
C3	C2	C5	C6	4.4°	0.2°
C3	C2	C5	N	179.6°	179.9°
C2	C3	C4	H1	179.4°	85.1°
C2	C3	C4	H2	59.4°	155.0°
C2	C3	C4	H3	60.6°	34.9°
C	C1	C2	C10	177.3°	179.9°
C	C1	C2	C5	176.0°	179.9°
C	C1	C10	N	175.7°	180.0°
C	C1	C10	C11	4.2°	0.2°
C1	C	H11	H12	120.0°	120.0°
C1	C	H11	H13	120.0°	120.0°
C1	C	H12	H13	120.0°	120.0°
C1	C2	C5	C6	175.5°	180.0°
C1	C2	C5	N	0.5°	0.3°
C2	C1	C10	N	1.6°	0.0°
C2	C1	C10	C11	178.5°	179.8°
C2	C1	C	H11	88.4°	90.1°
C2	C1	C	H12	151.5°	29.9°
C2	C1	C	H13	31.5°	149.9°
C5	C2	C1	C10	1.3°	0.2°
C2	C5	C6	N	175.7°	179.7°
C2	C5	C6	C7	174.1°	179.7°
C2	C5	N	C10	0.5°	0.3°
C2	C5	N	C9	175.8°	179.8°
C2	C5	C6	H4	5.9°	0.3°
C1	C10	N	C5	1.3°	0.2°
C1	C10	N	C11	179.9°	179.8°
C1	C10	N	C9	174.6°	179.9°
C1	C10	C11	C12	39.7°	93.3°
C1	C10	C11	O1	137.0°	86.7°
C10	C1	C	H11	88.3°	90.0°
C10	C1	C	H12	31.7°	150.0°
C10	C1	C	H13	151.7°	30.0°
C5	C6	C7	H4	180.0°	179.9°
C6	C5	N	C10	177.2°	179.9°
C6	C5	N	C9	0.9°	0.0°
C5	C6	C7	C8	0.9°	0.0°
C5	C6	C7	H5	179.1°	180.0°
N	C5	C6	C7	1.6°	0.0°
C5	N	C10	C9	175.9°	180.0°
C5	N	C10	C11	178.8°	180.0°
C5	N	C9	C8	0.5°	0.0°
N	C5	C6	H4	178.4°	180.0°
C5	N	C9	H14	179.5°	180.0°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	C9	0.6°	0.0°
C6	C7	C8	H6	179.4°	180.0°
C13	C14	C15	H9	180.0°	180.0°
C13	C14	C15	F	174.8°	179.8°
C14	C13	C12	H7	180.0°	179.7°
C13	C14	C15	C16	1.5°	0.1°
C14	C13	C12	C11	171.9°	179.7°
C14	C13	C12	C17	2.6°	0.3°
C14	C15	F	C16	176.4°	179.8°
C15	C14	C13	C12	2.8°	0.0°
C14	C15	C16	C17	0.0°	0.2°
C15	C14	C13	H7	177.2°	179.7°
C14	C15	C16	H10	179.9°	179.8°
F	C15	C16	C17	176.3°	180.0°
F	C15	C14	H9	5.2°	0.2°
F	C15	C16	H10	3.8°	0.0°
C13	C12	C11	C10	36.5°	174.8°
C13	C12	C11	C17	174.4°	179.9°
C13	C12	C17	C16	1.0°	0.6°
C13	C12	C11	O1	146.8°	5.2°
C13	C12	C17	H8	179.0°	180.0°
C12	C13	C14	H9	177.2°	180.0°
N	C10	C11	C12	140.4°	86.9°
N	C10	C11	O1	42.9°	93.1°
C10	N	C9	C8	174.9°	179.9°
C10	N	C9	H14	5.1°	0.1°
C11	C10	N	C9	5.3°	0.1°
C10	C11	C12	O1	176.7°	180.0°
C10	C11	C12	C17	137.8°	5.3°
C15	C16	C17	C12	0.2°	0.5°
C15	C16	C17	H10	180.0°	180.0°
C15	C16	C17	H8	179.8°	180.0°
C16	C15	C14	H9	178.5°	180.0°
N	C9	C8	C7	1.3°	0.0°
N	C9	C8	H14	180.0°	180.0°
N	C9	C8	H6	178.7°	180.0°
C7	C8	C9	H6	180.0°	180.0°
C8	C7	C6	H4	179.1°	180.0°
C7	C8	C9	H14	178.7°	180.0°
C11	C12	C17	C16	173.5°	179.5°
C11	C12	C13	H7	8.1°	0.1°
C11	C12	C17	H8	6.5°	0.0°
C12	C17	C16	H8	180.0°	179.5°
C17	C12	C11	O1	38.9°	174.7°
C17	C12	C13	H7	177.4°	180.0°
C12	C17	C16	H10	179.8°	179.5°
C9	C8	C7	H5	179.4°	180.0°
H1	C4	H2	H3	120.0°	120.1°
H4	C6	C7	H5	0.9°	0.0°
H5	C7	C8	H6	0.6°	0.0°
H6	C8	C9	H14	1.3°	0.0°
H7	C13	C14	H9	2.8°	0.3°
H8	C17	C16	H10	0.2°	0.0°
H11	C	H12	H13	120.0°	120.0°

Release date:	2023-11-08
Definition date:	2023-08-16
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GF9