A1CXT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	C11	sing	1.53Å	1.54Å
C10	C11	sing	1.54Å	1.55Å
C10	C9	sing	1.55Å	1.54Å
C11	C13	sing	1.53Å	1.55Å
C11	N4	sing	1.47Å	1.47Å
C9	C8	sing	1.51Å	1.51Å
N4	C8	sing	1.34Å	1.33Å
N4	N3	sing	1.40Å	1.39Å
C8	O1	doub	1.21Å	1.23Å
N3	C7	sing	1.38Å	1.39Å
N8	C17	trip	1.14Å	1.15Å
C17	C16	sing	1.43Å	1.41Å
C7	N5	doub	1.33Å	1.36Å	Aromatic
C7	C6	sing	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.46Å	1.44Å	Aromatic
C5	C4	doub	1.36Å	1.37Å	Aromatic
N5	C14	sing	1.32Å	1.33Å	Aromatic
C6	C15	doub	1.41Å	1.41Å	Aromatic
C16	N1	sing	1.37Å	1.38Å	Aromatic
C16	C3	doub	1.40Å	1.37Å	Aromatic
C1	N1	sing	1.46Å	1.45Å
C4	C3	sing	1.48Å	1.46Å
C4	N7	sing	1.38Å	1.39Å	Aromatic
C14	N6	doub	1.32Å	1.33Å	Aromatic
N1	N2	sing	1.40Å	1.36Å	Aromatic
C3	C2	sing	1.41Å	1.42Å	Aromatic
C15	N7	sing	1.37Å	1.38Å	Aromatic
C15	N6	sing	1.33Å	1.36Å	Aromatic
N2	C2	doub	1.31Å	1.32Å	Aromatic
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C14	H17	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C13	H14	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N3	H6	sing	0.97Å	1.00Å
N7	H18	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	110.8°	110.2°
C12	C11	C13	109.5°	110.2°
C12	C11	N4	108.7°	110.2°
C11	C12	H13	109.5°	109.5°
C11	C12	H11	109.5°	109.5°
C11	C12	H12	109.5°	109.5°
C11	C10	C9	106.3°	101.8°
C10	C11	C13	112.7°	110.3°
C10	C11	N4	101.3°	105.4°
C11	C10	H10	110.3°	110.9°
C11	C10	H9	110.2°	111.0°
C10	C9	C8	103.4°	104.2°
C10	C9	H7	111.0°	110.5°
C10	C9	H8	111.0°	110.6°
C9	C10	H10	110.3°	110.9°
C9	C10	H9	110.3°	111.0°
C13	C11	N4	113.7°	110.3°
C11	C13	H15	109.5°	109.5°
C11	C13	H16	109.5°	109.5°
C11	C13	H14	109.5°	109.4°
C11	N4	C8	116.3°	111.3°
C11	N4	N3	121.1°	124.3°
C9	C8	N4	109.0°	110.1°
C9	C8	O1	125.1°	125.0°
C8	C9	H7	111.0°	110.5°
C8	C9	H8	111.0°	110.5°
C8	N4	N3	122.6°	124.4°
N4	C8	O1	125.8°	124.9°
N4	N3	C7	122.8°	120.0°
N4	N3	H6	106.0°	120.0°
N3	C7	N5	120.9°	120.8°
N3	C7	C6	119.3°	120.9°
C7	N3	H6	106.0°	120.0°
N8	C17	C16	179.3°	180.0°
C17	C16	N1	124.5°	126.6°
C17	C16	C3	127.1°	126.6°
N5	C7	C6	119.7°	118.3°
C7	N5	C14	118.1°	121.0°
C7	C6	C5	136.5°	134.9°
C7	C6	C15	115.2°	118.6°
C6	C5	C4	106.3°	106.8°
C5	C6	C15	108.3°	106.5°
C6	C5	H5	126.8°	126.6°
C5	C4	C3	130.9°	125.3°
C5	C4	N7	109.0°	109.4°
C4	C5	H5	126.9°	126.6°
N5	C14	N6	128.8°	122.8°
N5	C14	H17	115.6°	118.6°
C6	C15	N7	105.9°	107.5°
C6	C15	N6	125.8°	118.5°
N1	C16	C3	108.4°	106.8°
C16	N1	C1	129.9°	126.0°
C16	N1	N2	110.4°	108.0°
C16	C3	C4	130.3°	126.4°
C16	C3	C2	103.4°	107.2°
C1	N1	N2	119.7°	125.9°
N1	C1	H1	109.5°	109.5°
N1	C1	H2	109.5°	109.5°
N1	C1	H3	109.5°	109.5°
C3	C4	N7	120.1°	125.3°
C4	C3	C2	126.4°	126.4°
C4	N7	C15	110.4°	109.9°
C4	N7	H18	124.8°	125.0°
C14	N6	C15	112.3°	120.7°
N6	C14	H17	115.6°	118.6°
N1	N2	C2	105.4°	109.2°
C3	C2	N2	112.5°	108.7°
C3	C2	H4	123.8°	125.7°
N7	C15	N6	128.2°	134.0°
C15	N7	H18	124.8°	125.0°
N2	C2	H4	123.8°	125.6°
H7	C9	H8	109.5°	110.4°
H13	C12	H11	109.5°	109.4°
H13	C12	H12	109.4°	109.5°
H11	C12	H12	109.5°	109.5°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H10	C10	H9	109.5°	110.9°
H15	C13	H16	109.5°	109.5°
H15	C13	H14	109.5°	109.5°
H16	C13	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	C13	123.1°	121.9°
C12	C11	C10	N4	115.1°	119.0°
C12	C11	C10	C9	96.8°	144.4°
C12	C11	C13	N4	121.8°	122.0°
C12	C11	N4	C8	104.5°	136.0°
C12	C11	N4	N3	74.1°	44.0°
C11	C12	H13	H11	120.0°	120.0°
C11	C12	H13	H12	120.0°	120.0°
C11	C12	H11	H12	120.0°	120.0°
C12	C11	C10	H10	22.7°	97.5°
C12	C11	C10	H9	143.7°	26.3°
C12	C11	C13	H15	180.0°	59.3°
C12	C11	C13	H16	60.0°	179.3°
C12	C11	C13	H14	60.0°	60.7°
C11	C10	C9	H10	119.5°	118.1°
C11	C10	C9	H9	119.5°	118.2°
C10	C11	C13	N4	114.5°	116.1°
C11	C10	C9	C8	18.5°	24.9°
C10	C11	N4	C8	12.2°	17.1°
C10	C11	N4	N3	169.3°	163.0°
C11	C10	C9	H7	100.5°	143.5°
C11	C10	C9	H8	137.5°	93.9°
C10	C11	C12	H13	180.0°	60.0°
C10	C11	C12	H11	60.0°	179.9°
C10	C11	C12	H12	60.0°	60.1°
C11	C10	H10	H9	121.4°	123.9°
C10	C11	C13	H15	56.2°	178.8°
C10	C11	C13	H16	63.8°	58.8°
C10	C11	C13	H14	176.2°	61.2°
C9	C10	C11	C13	140.2°	93.6°
C9	C10	C11	N4	18.3°	25.5°
C10	C9	C8	H7	119.1°	118.7°
C10	C9	C8	H8	119.0°	118.8°
C10	C9	C8	N4	11.6°	16.3°
C10	C9	C8	O1	168.5°	163.7°
C10	C9	H7	H8	122.8°	122.7°
C9	C10	H10	H9	121.5°	123.8°
C13	C11	N4	C8	133.3°	102.0°
C13	C11	N4	N3	48.1°	78.0°
C13	C11	C12	H13	55.1°	178.1°
C13	C11	C12	H11	64.9°	58.1°
C13	C11	C12	H12	175.1°	61.9°
C13	C11	C10	H10	100.3°	24.4°
C13	C11	C10	H9	20.7°	148.2°
C11	C13	H15	H16	120.0°	120.0°
C11	C13	H15	H14	120.0°	120.0°
C11	C13	H16	H14	120.0°	120.0°
C11	N4	C8	C9	0.5°	0.4°
C11	N4	C8	N3	178.5°	180.0°
C11	N4	C8	O1	179.4°	179.6°
C11	N4	N3	C7	114.2°	105.1°
N4	C11	C12	H13	69.6°	56.0°
N4	C11	C12	H11	170.4°	63.9°
N4	C11	C12	H12	50.4°	176.0°
N4	C11	C10	H10	137.9°	143.5°
N4	C11	C10	H9	101.2°	92.7°
N4	C11	C13	H15	58.3°	62.7°
N4	C11	C13	H16	178.3°	57.3°
N4	C11	C13	H14	61.8°	177.3°
C11	N4	N3	H6	7.6°	75.0°
C9	C8	N4	O1	179.9°	180.0°
C9	C8	N4	N3	179.0°	179.6°
C8	C9	H7	H8	122.8°	122.5°
C8	C9	C10	H10	138.0°	142.9°
C8	C9	C10	H9	101.0°	93.3°
C8	N4	N3	C7	67.3°	74.9°
N4	C8	C9	H7	107.5°	135.0°
N4	C8	C9	H8	130.6°	102.6°
C8	N4	N3	H6	170.9°	105.0°
N3	N4	C8	O1	0.8°	0.4°
N4	N3	C7	H6	121.8°	179.9°
N4	N3	C7	N5	16.3°	0.1°
N4	N3	C7	C6	164.2°	180.0°
O1	C8	C9	H7	72.4°	45.0°
O1	C8	C9	H8	49.5°	77.5°
N3	C7	N5	C6	179.5°	179.9°
N3	C7	C6	C5	1.2°	0.3°
N3	C7	N5	C14	179.8°	180.0°
N3	C7	C6	C15	180.0°	180.0°
N8	C17	C16	N1	168.5°	119.4°
N8	C17	C16	C3	12.5°	60.5°
C17	C16	N1	C3	179.2°	179.9°
C17	C16	N1	C1	0.6°	0.1°
C17	C16	C3	C4	1.0°	0.1°
C17	C16	N1	N2	179.3°	179.9°
C17	C16	C3	C2	179.0°	179.9°
N5	C7	C6	C5	179.2°	179.7°
N5	C7	C6	C15	0.4°	0.1°
C7	N5	C14	N6	0.3°	0.3°
C7	N5	C14	H17	179.6°	179.8°
N5	C7	N3	H6	105.5°	180.0°
C7	C6	C5	C15	178.8°	179.7°
C7	C6	C5	C4	179.8°	179.7°
C6	C7	N5	C14	0.3°	0.1°
C7	C6	C15	N7	179.7°	179.8°
C7	C6	C15	N6	0.6°	0.3°
C7	C6	C5	H5	0.2°	0.3°
C6	C7	N3	H6	74.0°	0.0°
C6	C5	C4	H5	180.0°	180.0°
C6	C5	C4	C3	180.0°	180.0°
C6	C5	C4	N7	1.0°	0.0°
C5	C6	C15	N7	0.6°	0.0°
C5	C6	C15	N6	179.7°	180.0°
C4	C5	C6	C15	1.0°	0.0°
C5	C4	C3	C16	18.0°	139.9°
C5	C4	C3	N7	178.8°	180.0°
C5	C4	C3	C2	162.0°	40.0°
C5	C4	N7	C15	0.7°	0.0°
C5	C4	N7	H18	179.3°	179.9°
N5	C14	N6	H17	180.0°	179.5°
N5	C14	N6	C15	0.5°	0.5°
C6	C15	N7	C4	0.1°	0.0°
C6	C15	N6	C14	0.6°	0.5°
C6	C15	N7	N6	179.7°	180.0°
C15	C6	C5	H5	179.0°	179.9°
C6	C15	N7	H18	179.9°	179.9°
C16	N1	C1	N2	179.9°	180.0°
N1	C16	C3	C4	179.8°	180.0°
N1	C16	C3	C2	0.2°	0.0°
C16	N1	N2	C2	0.4°	0.0°
C16	N1	C1	H1	179.9°	90.0°
C16	N1	C1	H2	59.9°	150.0°
C16	N1	C1	H3	60.1°	30.0°
C3	C16	N1	C1	179.8°	180.0°
C16	C3	C4	C2	180.0°	179.9°
C16	C3	C4	N7	163.2°	40.2°
C3	C16	N1	N2	0.1°	0.0°
C16	C3	C2	N2	0.4°	0.0°
C16	C3	C2	H4	179.6°	179.9°
C1	N1	N2	C2	179.5°	180.0°
N1	C1	H1	H2	120.0°	120.0°
N1	C1	H1	H3	120.0°	120.0°
N1	C1	H2	H3	120.0°	120.0°
C3	C4	N7	C15	179.8°	180.0°
C4	C3	C2	N2	179.6°	180.0°
C4	C3	C2	H4	0.4°	0.0°
C3	C4	C5	H5	0.1°	0.0°
C3	C4	N7	H18	0.2°	0.1°
N7	C4	C3	C2	16.8°	139.9°
C4	N7	C15	H18	180.0°	179.9°
C4	N7	C15	N6	179.6°	180.0°
N7	C4	C5	H5	179.0°	179.9°
C14	N6	C15	N7	179.8°	179.5°
N1	N2	C2	C3	0.5°	0.0°
N2	N1	C1	H1	0.0°	90.0°
N2	N1	C1	H2	120.0°	30.0°
N2	N1	C1	H3	120.0°	150.0°
N1	N2	C2	H4	179.5°	179.9°
C3	C2	N2	H4	180.0°	179.9°
C15	N6	C14	H17	179.5°	180.0°
N6	C15	N7	H18	0.4°	0.0°
H7	C9	C10	H10	19.0°	98.4°
H7	C9	C10	H9	140.0°	25.3°
H8	C9	C10	H10	103.0°	24.2°
H8	C9	C10	H9	18.0°	147.9°
H13	C12	H11	H12	119.9°	120.0°
H1	C1	H2	H3	120.0°	120.0°
H15	C13	H16	H14	120.0°	120.0°

Release date:	2026-01-28
Definition date:	2025-10-09
Last modified:	2026-01-23
Release status:	REL
Processing site:	RCSB
Derived from:	13RK