U1W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C11	sing	1.53Å	1.50Å
C11	N5	sing	1.47Å	1.51Å
N5	C7	sing	1.39Å	1.48Å
N5	C2	sing	1.38Å	1.42Å
C6	C2	doub	1.39Å	1.37Å	Aromatic
C6	C12	sing	1.39Å	1.40Å	Aromatic
N13	C7	doub	1.31Å	1.28Å
C7	N3	sing	1.36Å	1.41Å
C2	C1	sing	1.39Å	1.41Å	Aromatic
C12	C9	doub	1.39Å	1.39Å	Aromatic
C1	N3	sing	1.39Å	1.38Å
C1	C4	doub	1.39Å	1.39Å	Aromatic
N3	C8	sing	1.47Å	1.48Å
C9	C4	sing	1.38Å	1.40Å	Aromatic
C4	C10	sing	1.50Å	1.52Å
C8	C14	sing	1.53Å	1.52Å
C10	C14	sing	1.53Å	1.55Å
C8	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.09Å	1.10Å
C9	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C15	H12	sing	1.09Å	1.10Å
C15	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.08Å	1.08Å
N13	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	C11	N5	115.6°	109.5°
C15	C11	H6	107.9°	109.5°
C15	C11	H7	107.9°	109.4°
C11	C15	H11	109.5°	109.5°
C11	C15	H12	109.4°	109.4°
C11	C15	H13	109.5°	109.5°
C11	N5	C7	124.0°	125.7°
C11	N5	C2	121.1°	125.8°
N5	C11	H6	107.9°	109.5°
N5	C11	H7	107.9°	109.4°
C7	N5	C2	106.7°	108.6°
N5	C7	N13	132.3°	125.5°
N5	C7	N3	106.6°	109.1°
N5	C2	C6	132.8°	135.3°
N5	C2	C1	107.4°	106.1°
C2	C6	C12	116.7°	117.1°
C6	C2	C1	119.7°	118.6°
C2	C6	H14	121.6°	121.5°
C6	C12	C9	123.3°	123.3°
C6	C12	H8	118.4°	118.4°
C12	C6	H14	121.7°	121.4°
N13	C7	N3	120.8°	125.4°
C7	N13	H15	112.0°	120.0°
C7	N3	C1	108.6°	106.8°
C7	N3	C8	131.7°	133.1°
C2	C1	N3	110.4°	109.4°
C2	C1	C4	124.6°	124.6°
C12	C9	C4	120.8°	120.3°
C12	C9	H3	119.6°	119.9°
C9	C12	H8	118.4°	118.3°
N3	C1	C4	125.0°	126.0°
C1	N3	C8	119.6°	120.1°
C1	C4	C9	115.0°	116.2°
C1	C4	C10	118.2°	116.7°
N3	C8	C14	110.7°	108.4°
N3	C8	H1	109.2°	109.7°
N3	C8	H2	109.2°	109.7°
C9	C4	C10	126.9°	127.1°
C4	C9	H3	119.6°	119.8°
C4	C10	C14	110.6°	109.8°
C4	C10	H4	109.2°	109.5°
C4	C10	H5	109.2°	109.4°
C8	C14	C10	110.7°	112.3°
C14	C8	H1	109.2°	109.7°
C14	C8	H2	109.2°	109.7°
C8	C14	H9	109.2°	108.9°
C8	C14	H10	109.2°	108.9°
C14	C10	H4	109.2°	109.4°
C14	C10	H5	109.2°	109.4°
C10	C14	H9	109.2°	108.9°
C10	C14	H10	109.2°	108.9°
H1	C8	H2	109.5°	109.7°
H4	C10	H5	109.5°	109.4°
H6	C11	H7	109.5°	109.5°
H9	C14	H10	109.5°	108.8°
H11	C15	H12	109.5°	109.5°
H11	C15	H13	109.5°	109.5°
H12	C15	H13	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	C11	N5	H6	120.9°	120.0°
C15	C11	N5	H7	120.9°	119.9°
C15	C11	N5	C7	78.3°	90.0°
C15	C11	N5	C2	66.3°	89.5°
C15	C11	H6	H7	117.2°	120.0°
C11	C15	H11	H12	120.0°	120.0°
C11	C15	H11	H13	120.0°	120.0°
C11	C15	H12	H13	120.0°	120.0°
C11	N5	C7	C2	148.8°	179.6°
C11	N5	C2	C6	27.9°	0.1°
C11	N5	C7	N13	32.4°	0.6°
C11	N5	C7	N3	153.4°	179.9°
C11	N5	C2	C1	154.5°	179.9°
N5	C11	H6	H7	117.2°	120.0°
N5	C11	C15	H11	180.0°	180.0°
N5	C11	C15	H12	60.0°	60.0°
N5	C11	C15	H13	60.0°	59.9°
C7	N5	C2	C6	177.7°	179.7°
N5	C7	N13	N3	173.5°	179.4°
C7	N5	C2	C1	4.7°	0.3°
N5	C7	N3	C1	2.9°	0.2°
N5	C7	N3	C8	177.4°	179.9°
C7	N5	C11	H6	160.8°	30.1°
C7	N5	C11	H7	42.6°	150.1°
N5	C7	N13	H15	173.4°	179.5°
N5	C2	C6	C1	177.4°	179.9°
N5	C2	C6	C12	177.4°	180.0°
C2	N5	C7	N13	178.8°	179.8°
C2	N5	C7	N3	4.7°	0.3°
N5	C2	C1	N3	3.0°	0.1°
N5	C2	C1	C4	177.6°	179.6°
C2	N5	C11	H6	54.6°	150.4°
C2	N5	C11	H7	172.8°	30.4°
N5	C2	C6	H14	2.6°	0.1°
C2	C6	C12	H14	180.0°	180.0°
C2	C6	C12	C9	0.8°	0.2°
C6	C2	C1	N3	179.0°	179.8°
C6	C2	C1	C4	0.3°	0.4°
C2	C6	C12	H8	179.2°	179.8°
C12	C6	C2	C1	0.0°	0.0°
C6	C12	C9	H8	180.0°	179.9°
C6	C12	C9	C4	2.0°	0.1°
C6	C12	C9	H3	178.0°	179.7°
N13	C7	N3	C1	177.8°	179.7°
N13	C7	N3	C8	2.4°	0.4°
C7	N3	C1	C2	0.0°	0.0°
C7	N3	C1	C8	179.8°	179.9°
C7	N3	C1	C4	179.3°	179.8°
C7	N3	C8	C14	151.5°	153.2°
C7	N3	C8	H1	31.3°	87.0°
C7	N3	C8	H2	88.3°	33.5°
N3	C7	N13	H15	0.0°	0.1°
C2	C1	N3	C4	179.3°	179.8°
C2	C1	N3	C8	179.8°	179.9°
C2	C1	C4	C9	1.4°	0.5°
C2	C1	C4	C10	178.4°	179.3°
C1	C2	C6	H14	179.9°	180.0°
C12	C9	C4	C1	2.2°	0.2°
C12	C9	C4	H3	180.0°	179.9°
C12	C9	C4	C10	177.6°	179.6°
C9	C12	C6	H14	179.2°	179.7°
N3	C1	C4	C9	177.8°	179.8°
N3	C1	C4	C10	2.4°	0.4°
C1	N3	C8	C14	28.8°	26.6°
C1	N3	C8	H1	148.9°	93.1°
C1	N3	C8	H2	91.4°	146.3°
C4	C1	N3	C8	0.5°	0.3°
C1	C4	C9	C10	179.8°	179.8°
C1	C4	C10	C14	24.5°	28.2°
C1	C4	C9	H3	177.8°	179.9°
C1	C4	C10	H4	95.6°	148.4°
C1	C4	C10	H5	144.7°	91.7°
N3	C8	C14	H1	120.2°	119.8°
N3	C8	C14	H2	120.2°	119.7°
N3	C8	C14	C10	54.7°	55.0°
N3	C8	H1	H2	119.4°	120.5°
N3	C8	C14	H9	65.5°	65.7°
N3	C8	C14	H10	174.9°	175.7°
C9	C4	C10	C14	155.3°	152.0°
C9	C4	C10	H4	84.5°	31.8°
C9	C4	C10	H5	35.2°	88.1°
C4	C9	C12	H8	178.0°	179.9°
C4	C10	C14	C8	52.7°	56.5°
C4	C10	C14	H4	120.1°	120.1°
C4	C10	C14	H5	120.2°	120.0°
C10	C4	C9	H3	2.3°	0.3°
C4	C10	H4	H5	119.5°	119.9°
C4	C10	C14	H9	67.5°	64.3°
C4	C10	C14	H10	172.9°	177.3°
C8	C14	C10	H9	120.2°	120.7°
C8	C14	C10	H10	120.2°	120.8°
C14	C8	H1	H2	119.5°	120.5°
C8	C14	C10	H4	67.4°	176.6°
C8	C14	C10	H5	172.9°	63.5°
C8	C14	H9	H10	119.4°	118.6°
C10	C14	C8	H1	174.9°	64.8°
C10	C14	C8	H2	65.5°	174.7°
C14	C10	H4	H5	119.5°	119.8°
C10	C14	H9	H10	119.4°	118.6°
H1	C8	C14	H9	54.7°	174.5°
H1	C8	C14	H10	64.9°	55.9°
H2	C8	C14	H9	174.3°	54.0°
H2	C8	C14	H10	54.7°	64.5°
H3	C9	C12	H8	2.0°	0.2°
H4	C10	C14	H9	172.4°	55.9°
H4	C10	C14	H10	52.8°	62.6°
H5	C10	C14	H9	52.7°	175.7°
H5	C10	C14	H10	66.9°	57.3°
H6	C11	C15	H11	59.1°	60.0°
H6	C11	C15	H12	60.9°	60.1°
H6	C11	C15	H13	179.1°	NaN°
H7	C11	C15	H11	59.1°	60.1°
H7	C11	C15	H12	179.1°	179.9°
H7	C11	C15	H13	60.9°	60.0°
H8	C12	C6	H14	0.8°	0.2°
H11	C15	H12	H13	120.0°	120.0°

Release date:	2021-03-17
Definition date:	2021-01-18
Last modified:	2021-03-12
Release status:	REL
Processing site:	PDBE
Derived from:	7BLE