A1CT9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.46Å
C2	C3	doub	1.33Å	1.37Å	Aromatic
C2	S1	sing	1.76Å	1.68Å	Aromatic
C3	C4	sing	1.38Å	1.42Å	Aromatic
C4	C5	doub	1.33Å	1.37Å	Aromatic
C5	C6	sing	1.51Å	1.47Å
C5	S1	sing	1.76Å	1.69Å	Aromatic
C6	N1	sing	1.46Å	1.43Å
N1	C7	sing	1.40Å	1.39Å
C7	C8	doub	1.39Å	1.42Å	Aromatic
C7	C14	sing	1.39Å	1.41Å	Aromatic
C8	N2	sing	1.32Å	1.33Å	Aromatic
N2	C9	doub	1.32Å	1.35Å	Aromatic
C9	C10	sing	1.51Å	1.49Å
C9	C13	sing	1.38Å	1.41Å	Aromatic
C10	C11	sing	1.53Å	1.52Å
C11	O1	sing	1.43Å	1.42Å
O1	C12	sing	1.43Å	1.42Å
C12	C13	sing	1.51Å	1.49Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
N1	H8	sing	0.97Å	1.00Å
C4	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C8	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C14	H16	sing	1.08Å	1.08Å
C3	H4	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	124.9°	125.2°
C1	C2	S1	124.3°	125.2°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.4°	109.5°
C2	C1	H1	109.5°	109.5°
C3	C2	S1	110.8°	109.6°
C2	C3	C4	112.4°	115.0°
C2	C3	H4	123.8°	122.5°
C2	S1	C5	93.6°	91.0°
C3	C4	C5	111.8°	114.9°
C3	C4	H5	124.1°	122.6°
C4	C3	H4	123.8°	122.5°
C4	C5	C6	124.4°	125.2°
C4	C5	S1	111.3°	109.6°
C5	C4	H5	124.1°	122.5°
C6	C5	S1	124.2°	125.2°
C5	C6	N1	113.9°	109.5°
C5	C6	H6	108.3°	109.4°
C5	C6	H7	108.4°	109.4°
C6	N1	C7	123.4°	120.0°
C6	N1	H8	105.9°	120.0°
N1	C6	H6	108.4°	109.5°
N1	C6	H7	108.3°	109.5°
N1	C7	C8	122.3°	120.6°
N1	C7	C14	120.3°	120.6°
C7	N1	H8	105.9°	120.0°
C8	C7	C14	117.3°	118.8°
C7	C8	N2	123.6°	120.6°
C7	C8	H9	118.2°	119.7°
C7	C14	C13	119.3°	118.6°
C7	C14	H16	120.3°	120.7°
C8	N2	C9	118.1°	122.2°
N2	C8	H9	118.2°	119.7°
N2	C9	C10	119.0°	118.4°
N2	C9	C13	123.0°	120.5°
C10	C9	C13	117.9°	121.1°
C9	C10	C11	111.0°	109.7°
C9	C10	H10	109.1°	109.5°
C9	C10	H11	109.1°	109.3°
C9	C13	C12	122.4°	121.8°
C9	C13	C14	118.6°	119.4°
C10	C11	O1	111.6°	108.6°
C11	C10	H10	109.1°	109.4°
C11	C10	H11	109.1°	109.4°
C10	C11	H12	108.9°	109.7°
C10	C11	H13	109.0°	109.6°
C11	O1	C12	111.7°	113.1°
O1	C11	H12	108.9°	109.7°
O1	C11	H13	108.9°	109.6°
O1	C12	C13	114.0°	110.3°
O1	C12	H15	108.3°	109.4°
O1	C12	H14	108.3°	109.3°
C12	C13	C14	119.1°	118.9°
C13	C12	H15	108.3°	109.3°
C13	C12	H14	108.3°	109.3°
C13	C14	H16	120.3°	120.7°
H6	C6	H7	109.4°	109.5°
H10	C10	H11	109.5°	109.4°
H2	C1	H3	109.5°	109.5°
H2	C1	H1	109.5°	109.5°
H3	C1	H1	109.5°	109.5°
H12	C11	H13	109.5°	109.8°
H15	C12	H14	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	S1	179.0°	179.8°
C1	C2	C3	C4	179.4°	179.9°
C1	C2	S1	C5	179.3°	179.9°
C2	C1	H2	H3	120.0°	120.0°
C2	C1	H2	H1	120.0°	120.0°
C2	C1	H3	H1	120.0°	120.0°
C1	C2	C3	H4	0.6°	0.3°
C2	C3	C4	H4	180.0°	179.6°
C2	C3	C4	C5	0.3°	0.1°
C3	C2	S1	C5	0.3°	0.4°
C2	C3	C4	H5	179.7°	179.7°
C3	C2	C1	H2	178.8°	90.0°
C3	C2	C1	H3	61.1°	150.0°
C3	C2	C1	H1	58.8°	30.0°
S1	C2	C3	C4	0.4°	0.3°
C2	S1	C5	C4	0.1°	0.3°
C2	S1	C5	C6	179.6°	179.6°
S1	C2	C1	H2	0.0°	89.8°
S1	C2	C1	H3	120.0°	30.2°
S1	C2	C1	H1	120.0°	150.3°
S1	C2	C3	H4	179.6°	180.0°
C3	C4	C5	H5	180.0°	179.8°
C3	C4	C5	C6	179.8°	179.8°
C3	C4	C5	S1	0.1°	0.2°
C4	C5	C6	S1	179.7°	179.9°
C4	C5	C6	N1	121.4°	90.0°
C4	C5	C6	H6	117.9°	30.0°
C4	C5	C6	H7	0.8°	150.0°
C5	C4	C3	H4	179.7°	179.7°
C5	C6	N1	H6	120.7°	120.0°
C5	C6	N1	H7	120.7°	119.9°
C5	C6	N1	C7	179.8°	180.0°
C5	C6	N1	H8	57.9°	0.3°
C6	C5	C4	H5	0.1°	0.0°
C5	C6	H6	H7	118.0°	119.9°
S1	C5	C6	N1	58.3°	89.9°
S1	C5	C4	H5	179.9°	180.0°
S1	C5	C6	H6	62.4°	150.0°
S1	C5	C6	H7	179.0°	30.0°
C6	N1	C7	H8	121.9°	179.7°
C6	N1	C7	C8	176.9°	0.3°
C6	N1	C7	C14	3.4°	179.4°
N1	C6	H6	H7	117.9°	120.1°
N1	C7	C8	C14	179.7°	179.7°
N1	C7	C8	N2	179.6°	179.9°
N1	C7	C14	C13	179.6°	180.0°
C7	N1	C6	H6	59.6°	60.0°
C7	N1	C6	H7	59.1°	60.1°
N1	C7	C8	H9	0.4°	0.1°
N1	C7	C14	H16	0.4°	0.1°
C7	C8	N2	H9	180.0°	180.0°
C7	C8	N2	C9	0.8°	0.0°
C8	C7	C14	C13	0.6°	0.3°
C8	C7	N1	H8	61.2°	180.0°
C8	C7	C14	H16	179.3°	179.7°
C14	C7	C8	N2	0.7°	0.4°
C7	C14	C13	C9	0.7°	0.0°
C7	C14	C13	C12	180.0°	179.8°
C7	C14	C13	H16	180.0°	180.0°
C14	C7	N1	H8	118.5°	0.3°
C14	C7	C8	H9	179.3°	179.7°
C8	N2	C9	C10	179.9°	179.8°
C8	N2	C9	C13	0.9°	0.4°
N2	C9	C10	C13	179.0°	179.8°
N2	C9	C10	C11	161.2°	162.7°
N2	C9	C13	C12	179.9°	179.4°
N2	C9	C13	C14	0.9°	0.4°
C9	N2	C8	H9	179.1°	180.0°
N2	C9	C10	H10	41.0°	42.6°
N2	C9	C10	H11	78.5°	77.3°
C9	C10	C11	H10	120.2°	120.1°
C9	C10	C11	H11	120.2°	120.0°
C9	C10	C11	O1	52.0°	49.4°
C10	C9	C13	C12	0.9°	0.4°
C10	C9	C13	C14	179.9°	179.8°
C9	C10	H10	H11	119.3°	119.8°
C9	C10	C11	H12	68.3°	169.2°
C9	C10	C11	H13	172.3°	70.2°
C13	C9	C10	C11	19.7°	17.2°
C9	C13	C12	O1	12.2°	15.8°
C9	C13	C12	C14	179.2°	179.8°
C13	C9	C10	H10	140.0°	137.3°
C13	C9	C10	H11	100.5°	102.8°
C9	C13	C12	H15	108.5°	104.5°
C9	C13	C12	H14	132.9°	135.9°
C9	C13	C14	H16	179.3°	180.0°
C10	C11	O1	H12	120.3°	119.8°
C10	C11	O1	H13	120.3°	119.7°
C10	C11	O1	C12	65.9°	70.6°
C11	C10	H10	H11	119.3°	119.9°
C10	C11	H12	H13	119.1°	120.5°
C11	O1	C12	C13	44.2°	51.4°
O1	C11	C10	H10	172.2°	169.6°
O1	C11	C10	H11	68.2°	70.5°
O1	C11	H12	H13	119.0°	120.4°
C11	O1	C12	H15	76.4°	68.8°
C11	O1	C12	H14	164.9°	171.6°
O1	C12	C13	H15	120.7°	120.2°
O1	C12	C13	H14	120.6°	120.2°
O1	C12	C13	C14	168.5°	164.4°
C12	O1	C11	H12	54.4°	169.6°
C12	O1	C11	H13	173.8°	49.0°
O1	C12	H15	H14	117.9°	119.6°
C13	C12	H15	H14	118.0°	119.6°
C12	C13	C14	H16	0.0°	0.2°
C14	C13	C12	H15	70.8°	75.3°
C14	C13	C12	H14	47.9°	44.3°
H8	N1	C6	H6	178.5°	119.7°
H8	N1	C6	H7	62.8°	120.2°
H5	C4	C3	H4	0.3°	0.1°
H10	C10	C11	H12	51.9°	70.6°
H10	C10	C11	H13	67.5°	49.9°
H11	C10	C11	H12	171.4°	49.3°
H11	C10	C11	H13	52.0°	169.8°
H2	C1	H3	H1	120.0°	120.0°

Release date:	2026-08-05
Definition date:	2025-09-18
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	9YBV