A1CG5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C16	C17	doub	1.38Å	1.38Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C17	C12	sing	1.38Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.38Å	Aromatic
O	P	doub	1.48Å	1.49Å
C12	C13	doub	1.38Å	1.39Å	Aromatic
C12	P	sing	1.81Å	1.80Å
C14	C13	sing	1.38Å	1.38Å	Aromatic
P	C3	sing	1.81Å	1.80Å
P	C6	sing	1.81Å	1.80Å
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C11	C6	doub	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C5	C	doub	1.38Å	1.38Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C1	C	sing	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C7	C8	doub	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C	H	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å
C13	H10	sing	1.08Å	1.08Å
C14	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C17	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	C15	120.3°	120.0°
C16	C17	C12	120.2°	120.0°
C17	C16	H13	119.8°	120.0°
C16	C17	H14	119.9°	119.9°
C16	C15	C14	119.9°	120.0°
C16	C15	H12	120.1°	120.0°
C15	C16	H13	119.9°	119.9°
C17	C12	C13	119.2°	120.0°
C17	C12	P	119.4°	120.0°
C12	C17	H14	119.9°	120.0°
C15	C14	C13	120.3°	120.0°
C15	C14	H11	119.9°	120.0°
C14	C15	H12	120.1°	120.0°
O	P	C12	111.6°	109.5°
O	P	C3	111.7°	109.5°
O	P	C6	111.5°	109.4°
C13	C12	P	121.4°	120.0°
C12	C13	C14	120.2°	120.0°
C12	C13	H10	119.9°	120.0°
C12	P	C3	107.1°	109.5°
C12	P	C6	107.2°	109.5°
C14	C13	H10	119.9°	120.1°
C13	C14	H11	119.8°	120.0°
C3	P	C6	107.4°	109.5°
P	C3	C4	119.6°	120.1°
P	C3	C2	121.2°	120.0°
P	C6	C11	118.8°	120.0°
P	C6	C7	122.1°	120.0°
C4	C3	C2	119.2°	119.9°
C3	C4	C5	120.2°	120.0°
C3	C4	H3	119.9°	119.9°
C3	C2	C1	120.2°	120.0°
C3	C2	H2	119.9°	120.0°
C4	C5	C	120.3°	120.0°
C4	C5	H4	119.9°	120.0°
C5	C4	H3	119.9°	120.0°
C2	C1	C	120.3°	120.0°
C1	C2	H2	119.9°	120.0°
C2	C1	H1	119.9°	120.0°
C6	C11	C10	120.2°	120.0°
C11	C6	C7	119.1°	120.0°
C6	C11	H9	119.9°	120.0°
C11	C10	C9	120.3°	120.0°
C11	C10	H8	119.8°	120.0°
C10	C11	H9	119.9°	120.0°
C5	C	C1	119.9°	119.9°
C	C5	H4	119.9°	120.0°
C5	C	H	120.1°	120.0°
C6	C7	C8	120.1°	120.0°
C6	C7	H5	119.9°	120.0°
C1	C	H	120.0°	120.0°
C	C1	H1	119.9°	120.0°
C10	C9	C8	119.8°	120.0°
C10	C9	H7	120.1°	120.0°
C9	C10	H8	119.8°	120.0°
C7	C8	C9	120.4°	120.0°
C8	C7	H5	119.9°	120.0°
C7	C8	H6	119.8°	120.0°
C9	C8	H6	119.8°	120.0°
C8	C9	H7	120.1°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	C15	H13	180.0°	179.4°
C16	C17	C12	H14	180.0°	179.4°
C17	C16	C15	C14	0.2°	0.3°
C16	C17	C12	C13	0.1°	0.6°
C16	C17	C12	P	179.9°	179.7°
C17	C16	C15	H12	179.8°	179.7°
C15	C16	C17	C12	0.1°	0.6°
C16	C15	C14	H12	180.0°	180.0°
C16	C15	C14	C13	0.1°	0.0°
C16	C15	C14	H11	179.9°	180.0°
C15	C16	C17	H14	179.9°	180.0°
C17	C12	P	O	39.7°	149.7°
C17	C12	C13	P	179.7°	179.7°
C17	C12	C13	C14	0.3°	0.3°
C17	C12	P	C3	82.8°	29.7°
C17	C12	P	C6	162.1°	90.3°
C17	C12	C13	H10	179.7°	179.8°
C12	C17	C16	H13	179.9°	180.0°
C15	C14	C13	C12	0.2°	0.0°
C15	C14	C13	H11	180.0°	179.9°
C15	C14	C13	H10	179.8°	179.9°
C14	C15	C16	H13	179.7°	179.7°
O	P	C12	C13	140.6°	30.0°
O	P	C12	C3	122.5°	120.0°
O	P	C12	C6	122.4°	120.0°
O	P	C3	C6	122.6°	120.0°
O	P	C3	C4	35.5°	17.8°
O	P	C3	C2	144.9°	162.3°
O	P	C6	C11	52.8°	164.8°
O	P	C6	C7	127.7°	15.5°
C12	C13	C14	H10	180.0°	179.9°
C13	C12	P	C3	96.9°	150.0°
C13	C12	P	C6	18.1°	90.0°
C12	C13	C14	H11	179.8°	179.9°
C13	C12	C17	H14	179.8°	180.0°
P	C12	C13	C14	180.0°	180.0°
C12	P	C3	C6	114.9°	120.0°
C12	P	C3	C4	157.9°	102.3°
C12	P	C3	C2	22.4°	77.7°
C12	P	C6	C11	69.7°	44.8°
C12	P	C6	C7	109.8°	135.5°
P	C12	C13	H10	0.0°	0.1°
P	C12	C17	H14	0.1°	0.3°
C13	C14	C15	H12	179.9°	180.0°
P	C3	C4	C2	179.6°	179.9°
P	C3	C4	C5	179.7°	180.0°
P	C3	C2	C1	179.8°	180.0°
C3	P	C6	C11	175.5°	75.3°
C3	P	C6	C7	5.0°	104.5°
P	C3	C2	H2	0.2°	0.3°
P	C3	C4	H3	0.3°	0.2°
C6	P	C3	C4	87.2°	137.7°
C6	P	C3	C2	92.5°	42.3°
P	C6	C11	C7	179.6°	179.7°
P	C6	C11	C10	179.4°	179.7°
P	C6	C7	C8	179.4°	180.0°
P	C6	C7	H5	0.5°	0.0°
P	C6	C11	H9	0.6°	0.3°
C3	C4	C5	H3	180.0°	179.7°
C4	C3	C2	C1	0.1°	0.0°
C3	C4	C5	C	0.0°	0.3°
C4	C3	C2	H2	179.9°	179.7°
C3	C4	C5	H4	180.0°	179.8°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	H2	180.0°	179.7°
C3	C2	C1	C	0.1°	0.3°
C2	C3	C4	H3	179.9°	179.7°
C3	C2	C1	H1	179.9°	179.8°
C4	C5	C	H4	180.0°	180.0°
C4	C5	C	C1	0.1°	0.6°
C4	C5	C	H	179.9°	180.0°
C2	C1	C	C5	0.0°	0.6°
C2	C1	C	H1	180.0°	179.9°
C2	C1	C	H	180.0°	180.0°
C6	C11	C10	H9	180.0°	179.5°
C6	C11	C10	C9	0.2°	0.5°
C11	C6	C7	C8	0.1°	0.2°
C11	C6	C7	H5	179.9°	179.7°
C6	C11	C10	H8	179.8°	179.7°
C10	C11	C6	C7	0.1°	0.5°
C11	C10	C9	H8	180.0°	179.7°
C11	C10	C9	C8	0.2°	0.3°
C11	C10	C9	H7	179.8°	179.7°
C5	C	C1	H	180.0°	179.4°
C	C5	C4	H3	180.0°	180.0°
C5	C	C1	H1	179.9°	179.5°
C6	C7	C8	H5	180.0°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	C8	H6	179.8°	180.0°
C7	C6	C11	H9	179.9°	180.0°
C	C1	C2	H2	179.9°	180.0°
C1	C	C5	H4	179.9°	179.4°
C10	C9	C8	C7	0.2°	0.0°
C10	C9	C8	H7	180.0°	180.0°
C10	C9	C8	H6	179.8°	180.0°
C9	C10	C11	H9	179.8°	180.0°
C7	C8	C9	H6	180.0°	180.0°
C7	C8	C9	H7	179.8°	180.0°
C9	C8	C7	H5	179.9°	180.0°
C8	C9	C10	H8	179.8°	180.0°
H2	C2	C1	H1	0.0°	0.1°
H4	C5	C4	H3	0.0°	0.0°
H4	C5	C	H	0.1°	0.0°
H5	C7	C8	H6	0.1°	0.0°
H	C	C1	H1	0.0°	0.0°
H6	C8	C9	H7	0.2°	0.0°
H7	C9	C10	H8	0.2°	0.0°
H8	C10	C11	H9	0.2°	0.3°
H10	C13	C14	H11	0.2°	0.0°
H11	C14	C15	H12	0.1°	0.1°
H12	C15	C16	H13	0.2°	0.3°
H13	C16	C17	H14	0.1°	0.6°

Release date:	2026-01-07
Definition date:	2025-06-17
Last modified:	2026-01-02
Release status:	REL
Processing site:	RCSB
Derived from:	9P3T