W26

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	1.51Å	1.51Å
N3	C10	sing	1.39Å	1.38Å
C11	C10	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.39Å	Aromatic
C12	C7	doub	1.40Å	1.41Å	Aromatic
O2	C5	doub	1.21Å	1.22Å
C9	C8	doub	1.38Å	1.37Å	Aromatic
C7	C8	sing	1.40Å	1.41Å	Aromatic
C7	C6	sing	1.47Å	1.51Å
N2	C6	sing	1.35Å	1.33Å
N2	C1	sing	1.46Å	1.45Å
N1	C5	sing	1.34Å	1.38Å
N1	C4	sing	1.34Å	1.39Å
C5	C1	sing	1.51Å	1.52Å
C6	O3	doub	1.22Å	1.23Å
C4	O1	doub	1.21Å	1.22Å
C4	C3	sing	1.51Å	1.49Å
C1	C2	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H4	sing	1.09Å	1.10Å
N1	H6	sing	0.97Å	1.00Å
N2	H7	sing	0.97Å	1.00Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
N3	H14	sing	0.97Å	1.00Å
N3	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C12	C11	117.2°	120.0°
C13	C12	C7	124.0°	120.0°
C12	C13	H11	109.5°	109.5°
C12	C13	H12	109.4°	109.5°
C12	C13	H13	109.4°	109.4°
N3	C10	C11	120.4°	119.9°
N3	C10	C9	120.5°	119.9°
C10	N3	H14	109.5°	120.0°
C10	N3	H15	109.5°	120.0°
C10	C11	C12	121.6°	120.0°
C11	C10	C9	119.0°	120.2°
C10	C11	H10	119.2°	120.0°
C11	C12	C7	118.8°	120.0°
C12	C11	H10	119.2°	120.0°
C10	C9	C8	120.5°	120.0°
C10	C9	H9	119.8°	120.0°
C12	C7	C8	119.1°	119.9°
C12	C7	C6	125.1°	120.1°
O2	C5	N1	121.7°	119.4°
O2	C5	C1	121.5°	119.3°
C9	C8	C7	120.9°	119.9°
C9	C8	H8	119.6°	120.0°
C8	C9	H9	119.8°	119.9°
C8	C7	C6	115.7°	120.0°
C7	C8	H8	119.5°	120.0°
C7	C6	N2	118.9°	120.0°
C7	C6	O3	120.9°	120.0°
C6	N2	C1	121.5°	120.0°
N2	C6	O3	120.1°	120.0°
C6	N2	H7	119.2°	120.0°
N2	C1	C5	109.3°	109.6°
N2	C1	C2	107.7°	109.5°
N2	C1	H1	109.4°	109.6°
C1	N2	H7	119.2°	120.0°
C5	N1	C4	126.6°	122.6°
N1	C5	C1	116.8°	121.3°
C5	N1	H6	116.7°	118.7°
N1	C4	O1	120.7°	119.4°
N1	C4	C3	116.8°	121.2°
C4	N1	H6	116.7°	118.7°
C5	C1	C2	113.6°	109.1°
C5	C1	H1	108.5°	109.5°
O1	C4	C3	122.2°	119.4°
C4	C3	C2	114.0°	109.2°
C4	C3	H5	108.3°	109.5°
C4	C3	H4	108.3°	109.6°
C1	C2	C3	109.4°	108.6°
C2	C1	H1	108.4°	109.5°
C1	C2	H3	109.5°	109.6°
C1	C2	H2	109.5°	109.6°
C3	C2	H3	109.5°	109.6°
C3	C2	H2	109.5°	109.7°
C2	C3	H5	108.3°	109.5°
C2	C3	H4	108.3°	109.6°
H3	C2	H2	109.5°	109.8°
H5	C3	H4	109.5°	109.5°
H11	C13	H12	109.5°	109.5°
H11	C13	H13	109.5°	109.5°
H12	C13	H13	109.5°	109.5°
H14	N3	H15	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C12	C11	C10	179.6°	179.9°
C13	C12	C11	C7	179.6°	179.5°
C13	C12	C7	C8	179.5°	180.0°
C13	C12	C7	C6	0.7°	0.2°
C13	C12	C11	H10	0.4°	0.3°
C12	C13	H11	H12	120.0°	120.0°
C12	C13	H11	H13	120.0°	119.9°
C12	C13	H12	H13	120.0°	119.9°
N3	C10	C11	C9	179.7°	180.0°
N3	C10	C11	C12	179.8°	179.8°
N3	C10	C9	C8	179.8°	179.9°
N3	C10	C9	H9	0.2°	0.0°
N3	C10	C11	H10	0.2°	0.1°
C10	N3	H14	H15	120.0°	180.0°
C10	C11	C12	H10	180.0°	179.7°
C10	C11	C12	C7	0.0°	0.5°
C11	C10	C9	C8	0.0°	0.0°
C11	C10	C9	H9	179.9°	179.9°
C11	C10	N3	H14	180.0°	180.0°
C11	C10	N3	H15	60.0°	0.1°
C12	C11	C10	C9	0.0°	0.3°
C11	C12	C7	C8	0.0°	0.5°
C11	C12	C7	C6	178.9°	179.7°
C11	C12	C13	H11	89.8°	96.9°
C11	C12	C13	H12	150.2°	143.1°
C11	C12	C13	H13	30.2°	23.1°
C10	C9	C8	H9	180.0°	179.9°
C10	C9	C8	C7	0.0°	0.1°
C10	C9	C8	H8	180.0°	180.0°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	N3	H14	0.3°	0.0°
C9	C10	N3	H15	120.3°	179.9°
C12	C7	C8	C9	0.0°	0.2°
C12	C7	C8	C6	179.0°	179.8°
C12	C7	C6	N2	5.0°	174.1°
C12	C7	C6	O3	171.4°	6.0°
C12	C7	C8	H8	180.0°	179.8°
C7	C12	C11	H10	179.9°	179.8°
C7	C12	C13	H11	89.8°	83.6°
C7	C12	C13	H12	30.3°	36.4°
C7	C12	C13	H13	150.2°	156.4°
O2	C5	C1	N2	35.7°	89.2°
O2	C5	N1	C1	179.7°	179.9°
O2	C5	N1	C4	176.7°	179.4°
O2	C5	C1	C2	155.9°	150.9°
O2	C5	C1	H1	83.5°	31.0°
O2	C5	N1	H6	3.3°	0.6°
C9	C8	C7	H8	180.0°	180.0°
C9	C8	C7	C6	179.0°	180.0°
C8	C7	C6	N2	176.1°	6.2°
C8	C7	C6	O3	7.5°	173.8°
C7	C8	C9	H9	179.9°	180.0°
C7	C6	N2	O3	176.4°	180.0°
C7	C6	N2	C1	168.4°	180.0°
C7	C6	N2	H7	11.6°	0.1°
C6	C7	C8	H8	1.0°	0.0°
C6	N2	C1	H7	180.0°	180.0°
C6	N2	C1	C5	112.5°	85.3°
C6	N2	C1	C2	123.7°	155.1°
C6	N2	C1	H1	6.2°	34.9°
N2	C1	C5	N1	144.0°	90.9°
N2	C1	C5	C2	120.2°	119.9°
N2	C1	C5	H1	119.2°	120.2°
C1	N2	C6	O3	7.9°	0.0°
N2	C1	C2	H1	118.2°	120.2°
N2	C1	C2	C3	171.3°	64.3°
N2	C1	C2	H3	68.7°	175.9°
N2	C1	C2	H2	51.4°	55.4°
C5	N1	C4	H6	180.0°	180.0°
C5	N1	C4	O1	172.4°	179.5°
C5	N1	C4	C3	1.9°	0.6°
N1	C5	C1	C2	23.7°	29.1°
N1	C5	C1	H1	96.9°	148.9°
C4	N1	C5	C1	3.6°	0.5°
N1	C4	O1	C3	174.0°	180.0°
N1	C4	C3	C2	27.3°	29.1°
N1	C4	C3	H5	148.0°	149.0°
N1	C4	C3	H4	93.4°	90.9°
C5	C1	C2	H1	120.6°	119.8°
C5	C1	C2	C3	50.2°	55.6°
C5	C1	C2	H3	170.2°	64.1°
C5	C1	C2	H2	69.8°	175.4°
C1	C5	N1	H6	176.4°	179.5°
C5	C1	N2	H7	67.6°	94.7°
O3	C6	N2	H7	172.0°	180.0°
O1	C4	C3	C2	158.5°	150.9°
O1	C4	C3	H5	37.8°	31.0°
O1	C4	C3	H4	80.9°	89.1°
O1	C4	N1	H6	7.6°	0.5°
C4	C3	C2	C1	52.3°	55.7°
C4	C3	C2	H5	120.7°	119.9°
C4	C3	C2	H4	120.7°	120.0°
C4	C3	C2	H3	172.2°	64.1°
C4	C3	C2	H2	67.7°	175.4°
C4	C3	H5	H4	117.9°	120.2°
C3	C4	N1	H6	178.1°	179.5°
C1	C2	C3	H3	120.0°	119.7°
C1	C2	C3	H2	120.0°	119.7°
C1	C2	H3	H2	120.0°	120.4°
C1	C2	C3	H5	172.9°	175.5°
C1	C2	C3	H4	68.4°	64.3°
C2	C1	N2	H7	56.3°	25.0°
C3	C2	C1	H1	70.5°	175.5°
C3	C2	H3	H2	120.0°	120.5°
C2	C3	H5	H4	117.9°	120.2°
H1	C1	C2	H3	49.5°	55.7°
H1	C1	C2	H2	169.6°	64.8°
H1	C1	N2	H7	173.8°	145.1°
H3	C2	C3	H5	67.1°	55.8°
H3	C2	C3	H4	51.6°	175.9°
H2	C2	C3	H5	52.9°	64.8°
H2	C2	C3	H4	171.6°	55.3°
H8	C8	C9	H9	0.1°	0.1°
H11	C13	H12	H13	120.0°	120.0°

Release date:	2023-11-15
Definition date:	2023-04-25
Last modified:	2023-11-10
Release status:	REL
Processing site:	PDBE
Derived from:	8OU6