A1DTP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.55Å	1.53Å
C2	N1	sing	1.47Å	1.45Å
C3	C4	sing	1.55Å	1.54Å
N1	C1	sing	1.34Å	1.33Å
C4	C1	sing	1.51Å	1.52Å
C4	N2	sing	1.46Å	1.46Å
C1	O1	doub	1.21Å	1.23Å
C11	C12	doub	1.38Å	1.41Å	Aromatic
C11	C10	sing	1.39Å	1.41Å	Aromatic
C12	C13	sing	1.39Å	1.42Å	Aromatic
N2	C5	sing	1.38Å	1.40Å
C10	C9	doub	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.47Å	1.44Å	Aromatic
C13	C8	doub	1.40Å	1.43Å	Aromatic
C5	C14	doub	1.40Å	1.42Å	Aromatic
C5	N3	sing	1.33Å	1.36Å	Aromatic
C14	C7	sing	1.40Å	1.42Å	Aromatic
C9	C8	sing	1.39Å	1.41Å	Aromatic
C8	N5	sing	1.38Å	1.39Å	Aromatic
N3	C6	doub	1.32Å	1.34Å	Aromatic
C7	N5	sing	1.37Å	1.39Å	Aromatic
C7	N4	doub	1.33Å	1.36Å	Aromatic
C6	N4	sing	1.32Å	1.33Å	Aromatic
C11	H12	sing	1.08Å	1.08Å
C12	H13	sing	1.08Å	1.08Å
C10	H11	sing	1.08Å	1.08Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C6	H8	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
N5	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N1	104.6°	105.4°
C2	C3	C4	105.9°	101.7°
C3	C2	H3	110.7°	110.2°
C3	C2	H2	110.7°	110.3°
C2	C3	H4	110.3°	111.0°
C2	C3	H5	110.4°	111.0°
C2	N1	C1	113.3°	111.3°
N1	C2	H3	110.7°	110.2°
N1	C2	H2	110.7°	110.2°
C2	N1	H1	123.4°	124.3°
C3	C4	C1	102.6°	104.2°
C3	C4	N2	111.2°	110.5°
C4	C3	H4	110.4°	111.0°
C4	C3	H5	110.4°	111.0°
C3	C4	H6	108.6°	110.5°
N1	C1	C4	111.0°	110.1°
N1	C1	O1	125.2°	125.0°
C1	N1	H1	123.3°	124.3°
C1	C4	N2	115.4°	110.5°
C4	C1	O1	123.8°	124.9°
C1	C4	H6	108.9°	110.4°
C4	N2	C5	125.8°	120.0°
N2	C4	H6	109.7°	110.5°
C4	N2	H7	105.2°	119.9°
C12	C11	C10	120.2°	120.2°
C11	C12	C13	121.1°	119.8°
C12	C11	H12	119.9°	119.9°
C11	C12	H13	119.4°	120.1°
C11	C10	C9	119.9°	120.5°
C10	C11	H12	119.9°	119.8°
C11	C10	H11	120.0°	119.7°
C12	C13	C14	135.4°	133.8°
C12	C13	C8	117.9°	120.0°
C13	C12	H13	119.5°	120.1°
N2	C5	C14	120.2°	120.8°
N2	C5	N3	121.2°	120.8°
C5	N2	H7	105.2°	120.1°
C10	C9	C8	120.0°	120.1°
C9	C10	H11	120.1°	119.7°
C10	C9	H10	120.0°	120.0°
C14	C13	C8	106.8°	106.2°
C13	C14	C5	137.4°	134.6°
C13	C14	C7	106.2°	106.6°
C13	C8	C9	121.0°	119.3°
C13	C8	N5	109.0°	108.4°
C14	C5	N3	118.6°	118.4°
C5	C14	C7	116.4°	118.7°
C5	N3	C6	118.8°	120.9°
C14	C7	N5	110.0°	108.4°
C14	C7	N4	124.8°	118.5°
C9	C8	N5	130.0°	132.3°
C8	C9	H10	120.0°	119.9°
C8	N5	C7	108.1°	110.4°
C8	N5	H9	126.0°	124.8°
N3	C6	N4	128.8°	122.6°
N3	C6	H8	115.6°	118.7°
N5	C7	N4	125.2°	133.1°
C7	N5	H9	126.0°	124.8°
C7	N4	C6	112.5°	120.8°
N4	C6	H8	115.6°	118.7°
H3	C2	H2	109.5°	110.3°
H4	C3	H5	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	H3	119.2°	118.9°
C3	C2	N1	H2	119.2°	119.0°
C2	C3	C4	H4	119.4°	118.1°
C2	C3	C4	H5	119.4°	118.1°
C3	C2	N1	C1	10.0°	16.9°
C2	C3	C4	C1	15.2°	24.9°
C2	C3	C4	N2	108.8°	143.6°
C3	C2	H3	H2	122.2°	122.0°
C2	C3	H4	H5	121.7°	123.8°
C2	C3	C4	H6	130.4°	93.7°
C3	C2	N1	H1	170.0°	163.1°
N1	C2	C3	C4	15.6°	25.4°
C2	N1	C1	H1	180.0°	180.0°
C2	N1	C1	C4	0.0°	0.3°
C2	N1	C1	O1	180.0°	179.6°
N1	C2	H3	H2	122.2°	122.0°
N1	C2	C3	H4	103.9°	143.6°
N1	C2	C3	H5	135.0°	92.7°
C3	C4	C1	N1	9.9°	16.4°
C3	C4	C1	N2	121.1°	118.7°
C3	C4	C1	H6	115.0°	118.6°
C3	C4	N2	H6	120.2°	122.6°
C3	C4	C1	O1	170.2°	163.8°
C3	C4	N2	C5	179.3°	155.0°
C4	C3	C2	H3	103.7°	144.4°
C4	C3	C2	H2	134.8°	93.6°
C4	C3	H4	H5	121.7°	123.8°
C3	C4	N2	H7	57.1°	25.1°
N1	C1	C4	O1	179.9°	179.8°
N1	C1	C4	N2	111.2°	135.1°
C1	N1	C2	H3	109.2°	135.9°
C1	N1	C2	H2	129.2°	102.1°
N1	C1	C4	H6	124.9°	102.2°
C1	C4	N2	H6	123.4°	122.6°
C1	C4	N2	C5	64.4°	90.2°
C1	C4	C3	H4	104.2°	143.0°
C1	C4	C3	H5	134.6°	93.2°
C4	C1	N1	H1	180.0°	179.7°
C1	C4	N2	H7	173.5°	89.7°
N2	C4	C1	O1	68.7°	45.1°
C4	N2	C5	H7	122.2°	179.9°
C4	N2	C5	C14	137.9°	180.0°
C4	N2	C5	N3	43.4°	0.0°
N2	C4	C3	H4	131.8°	98.3°
N2	C4	C3	H5	10.7°	25.5°
O1	C1	C4	H6	55.2°	77.6°
O1	C1	N1	H1	0.1°	0.4°
C12	C11	C10	H12	180.0°	180.0°
C11	C12	C13	H13	180.0°	180.0°
C12	C11	C10	C9	0.0°	0.2°
C11	C12	C13	C14	180.0°	180.0°
C11	C12	C13	C8	0.0°	0.3°
C12	C11	C10	H11	180.0°	180.0°
C10	C11	C12	C13	0.1°	0.1°
C11	C10	C9	H11	180.0°	179.8°
C11	C10	C9	C8	0.0°	0.2°
C10	C11	C12	H13	179.9°	180.0°
C11	C10	C9	H10	180.0°	180.0°
C12	C13	C14	C8	180.0°	179.8°
C12	C13	C14	C5	0.3°	0.3°
C12	C13	C14	C7	180.0°	179.7°
C12	C13	C8	C9	0.1°	0.2°
C12	C13	C8	N5	179.8°	179.8°
C13	C12	C11	H12	180.0°	180.0°
N2	C5	C14	C13	1.1°	0.0°
N2	C5	C14	N3	178.7°	180.0°
N2	C5	C14	C7	179.3°	180.0°
N2	C5	N3	C6	179.3°	180.0°
C5	N2	C4	H6	59.1°	32.4°
C10	C9	C8	C13	0.1°	0.0°
C10	C9	C8	H10	180.0°	179.8°
C10	C9	C8	N5	179.8°	180.0°
C9	C10	C11	H12	180.0°	179.8°
C13	C14	C5	C7	179.7°	180.0°
C13	C14	C5	N3	179.8°	180.0°
C14	C13	C8	C9	180.0°	180.0°
C14	C13	C8	N5	0.2°	0.0°
C13	C14	C7	N5	0.1°	0.0°
C13	C14	C7	N4	179.9°	180.0°
C14	C13	C12	H13	0.1°	0.0°
C8	C13	C14	C5	179.7°	180.0°
C8	C13	C14	C7	0.0°	0.0°
C13	C8	C9	N5	179.7°	180.0°
C13	C8	N5	C7	0.2°	0.0°
C8	C13	C12	H13	180.0°	179.8°
C13	C8	C9	H10	179.9°	179.8°
C13	C8	N5	H9	179.7°	179.9°
C14	C5	N3	C6	0.6°	0.0°
C5	C14	C7	N5	179.9°	180.0°
C5	C14	C7	N4	0.1°	0.0°
C14	C5	N2	H7	99.9°	0.0°
N3	C5	C14	C7	0.5°	0.0°
C5	N3	C6	N4	0.2°	0.1°
C5	N3	C6	H8	179.9°	180.0°
N3	C5	N2	H7	78.8°	180.0°
C14	C7	N5	C8	0.2°	0.0°
C14	C7	N5	N4	180.0°	180.0°
C14	C7	N4	C6	0.3°	0.1°
C14	C7	N5	H9	179.8°	180.0°
C9	C8	N5	C7	180.0°	180.0°
C8	C9	C10	H11	180.0°	179.9°
C9	C8	N5	H9	0.0°	0.1°
C8	N5	C7	H9	180.0°	180.0°
C8	N5	C7	N4	179.7°	180.0°
N5	C8	C9	H10	0.2°	0.2°
N3	C6	N4	C7	0.3°	0.1°
N3	C6	N4	H8	180.0°	179.9°
N5	C7	N4	C6	179.7°	179.9°
C7	N4	C6	H8	179.7°	180.0°
N4	C7	N5	H9	0.3°	0.0°
H12	C11	C12	H13	0.1°	0.0°
H12	C11	C10	H11	0.0°	0.1°
H11	C10	C9	H10	0.0°	0.1°
H3	C2	C3	H4	136.9°	97.5°
H3	C2	C3	H5	15.8°	26.3°
H3	C2	N1	H1	70.8°	44.1°
H2	C2	C3	H4	15.3°	24.6°
H2	C2	C3	H5	105.8°	148.3°
H2	C2	N1	H1	50.8°	77.9°
H4	C3	C4	H6	11.0°	24.4°
H5	C3	C4	H6	110.2°	148.1°
H6	C4	N2	H7	63.1°	147.7°

Release date:	2026-11-04
Definition date:	2026-08-20
Last modified:	2026-10-30
Release status:	REL
Processing site:	RCSB
Derived from:	15AK