U1L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	N1	sing	1.42Å	1.39Å
N1	C3	sing	1.35Å	1.32Å
C8	C7	doub	1.39Å	1.41Å	Aromatic
C8	C9	sing	1.36Å	1.36Å	Aromatic
C7	C6	sing	1.36Å	1.36Å	Aromatic
C9	C10	doub	1.40Å	1.41Å	Aromatic
C6	C5	doub	1.40Å	1.42Å	Aromatic
C3	O2	doub	1.21Å	1.23Å
C3	C2	sing	1.51Å	1.53Å
C10	C5	sing	1.42Å	1.42Å	Aromatic
C10	N3	sing	1.34Å	1.37Å	Aromatic
C5	C4	sing	1.42Å	1.44Å	Aromatic
N3	C11	doub	1.32Å	1.34Å	Aromatic
C4	N2	sing	1.38Å	1.36Å
C4	N5	doub	1.32Å	1.33Å	Aromatic
N2	C2	sing	1.47Å	1.47Å
C11	N5	sing	1.33Å	1.34Å	Aromatic
C11	C12	sing	1.49Å	1.48Å
C2	C1	sing	1.53Å	1.52Å
C12	O3	doub	1.21Å	1.23Å
C12	N4	sing	1.35Å	1.34Å
N4	C13	sing	1.47Å	1.46Å
C13	C14	sing	1.51Å	1.47Å
C14	C15	doub	1.31Å	1.30Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C2	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.08Å	1.08Å
C7	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å
N1	H14	sing	0.97Å	1.00Å
N2	H15	sing	0.97Å	1.00Å
N4	H16	sing	0.97Å	1.00Å
O1	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	N1	C3	120.1°	120.0°
O1	N1	H14	120.0°	120.0°
N1	O1	H17	109.5°	114.1°
N1	C3	O2	123.1°	120.0°
N1	C3	C2	116.8°	120.0°
C3	N1	H14	120.0°	120.0°
C7	C8	C9	121.0°	121.1°
C8	C7	C6	120.3°	120.9°
C8	C7	H11	119.8°	119.6°
C7	C8	H12	119.5°	119.5°
C8	C9	C10	120.1°	119.6°
C9	C8	H12	119.5°	119.5°
C8	C9	H13	120.0°	120.2°
C7	C6	C5	120.1°	119.6°
C7	C6	H10	119.9°	120.2°
C6	C7	H11	119.8°	119.6°
C9	C10	C5	119.0°	119.3°
C9	C10	N3	119.9°	122.0°
C10	C9	H13	119.9°	120.3°
C6	C5	C10	119.5°	119.6°
C6	C5	C4	124.7°	122.1°
C5	C6	H10	120.0°	120.2°
O2	C3	C2	120.0°	120.0°
C3	C2	N2	111.8°	109.5°
C3	C2	C1	110.5°	109.5°
C3	C2	H9	107.0°	109.5°
C5	C10	N3	121.1°	118.8°
C10	C5	C4	115.8°	118.3°
C10	N3	C11	118.2°	120.5°
C5	C4	N2	119.9°	120.8°
C5	C4	N5	120.9°	118.3°
N3	C11	N5	124.3°	122.9°
N3	C11	C12	116.5°	118.6°
N2	C4	N5	119.2°	120.9°
C4	N2	C2	117.6°	120.0°
C4	N2	H15	107.4°	120.0°
C4	N5	C11	119.7°	121.4°
N2	C2	C1	112.5°	109.5°
N2	C2	H9	107.7°	109.5°
C2	N2	H15	107.4°	120.0°
N5	C11	C12	119.1°	118.5°
C11	C12	O3	119.7°	120.0°
C11	C12	N4	117.3°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.5°	109.5°
C1	C2	H9	107.1°	109.4°
O3	C12	N4	122.9°	120.0°
C12	N4	C13	122.6°	120.0°
C12	N4	H16	118.7°	120.0°
N4	C13	C14	115.0°	109.5°
N4	C13	H4	108.1°	109.5°
N4	C13	H5	108.1°	109.5°
C13	N4	H16	118.7°	120.0°
C13	C14	C15	126.6°	119.9°
C14	C13	H4	108.1°	109.5°
C14	C13	H5	108.1°	109.5°
C13	C14	H6	116.7°	120.0°
C15	C14	H6	116.7°	120.0°
C14	C15	H7	120.0°	120.1°
C14	C15	H8	120.0°	120.0°
H1	C1	H2	109.5°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H4	C13	H5	109.5°	109.4°
H7	C15	H8	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	N1	C3	H14	180.0°	180.0°
O1	N1	C3	O2	0.1°	0.0°
O1	N1	C3	C2	179.4°	180.0°
N1	C3	O2	C2	179.3°	179.9°
N1	C3	C2	N2	11.4°	180.0°
N1	C3	C2	C1	114.7°	60.0°
N1	C3	C2	H9	129.1°	60.0°
C3	N1	O1	H17	0.1°	180.0°
C7	C8	C9	H12	180.0°	179.7°
C8	C7	C6	H11	180.0°	180.0°
C7	C8	C9	C10	0.1°	0.6°
C8	C7	C6	C5	0.1°	0.0°
C8	C7	C6	H10	179.9°	180.0°
C7	C8	C9	H13	179.9°	180.0°
C9	C8	C7	C6	0.1°	0.3°
C8	C9	C10	H13	180.0°	179.4°
C8	C9	C10	C5	0.0°	0.6°
C8	C9	C10	N3	179.9°	179.7°
C9	C8	C7	H11	179.9°	179.7°
C7	C6	C5	H10	180.0°	179.9°
C7	C6	C5	C10	0.1°	0.0°
C7	C6	C5	C4	179.7°	180.0°
C6	C7	C8	H12	179.9°	180.0°
C9	C10	C5	C6	0.0°	0.3°
C9	C10	C5	N3	179.9°	179.7°
C9	C10	C5	C4	179.8°	179.7°
C9	C10	N3	C11	179.6°	179.7°
C10	C9	C8	H12	180.0°	179.7°
C6	C5	C10	C4	179.8°	180.0°
C6	C5	C10	N3	179.9°	180.0°
C6	C5	C4	N2	0.4°	0.0°
C6	C5	C4	N5	179.8°	180.0°
C5	C6	C7	H11	179.9°	179.9°
O2	C3	C2	N2	168.0°	0.1°
O2	C3	C2	C1	66.0°	120.0°
O2	C3	C2	H9	50.3°	120.0°
O2	C3	N1	H14	179.9°	180.0°
C3	C2	N2	C4	77.9°	155.0°
C3	C2	N2	C1	125.0°	120.0°
C3	C2	N2	H9	117.2°	120.1°
C3	C2	C1	H9	116.2°	120.0°
C3	C2	C1	H1	180.0°	180.0°
C3	C2	C1	H2	60.0°	60.0°
C3	C2	C1	H3	60.0°	60.0°
C2	C3	N1	H14	0.6°	0.0°
C3	C2	N2	H15	160.9°	25.0°
C5	C10	N3	C11	0.6°	0.0°
C10	C5	C4	N2	179.8°	180.0°
C10	C5	C4	N5	0.4°	0.0°
C10	C5	C6	H10	180.0°	180.0°
C5	C10	C9	H13	180.0°	180.0°
N3	C10	C5	C4	0.3°	0.0°
C10	N3	C11	N5	0.9°	0.0°
C10	N3	C11	C12	179.5°	180.0°
N3	C10	C9	H13	0.2°	0.3°
C5	C4	N2	N5	179.4°	180.0°
C5	C4	N2	C2	174.9°	180.0°
C5	C4	N5	C11	0.7°	0.0°
C4	C5	C6	H10	0.2°	0.1°
C5	C4	N2	H15	64.0°	0.0°
N3	C11	N5	C4	1.0°	0.0°
N3	C11	N5	C12	178.6°	180.0°
N3	C11	C12	O3	8.4°	180.0°
N3	C11	C12	N4	174.8°	0.0°
C4	N2	C2	H15	121.2°	180.0°
N2	C4	N5	C11	179.9°	180.0°
C4	N2	C2	C1	157.1°	85.0°
C4	N2	C2	H9	39.3°	34.9°
N5	C4	N2	C2	5.7°	0.0°
C4	N5	C11	C12	179.6°	180.0°
N5	C4	N2	H15	115.4°	180.0°
N2	C2	C1	H9	118.1°	120.0°
N2	C2	C1	H1	54.3°	60.0°
N2	C2	C1	H2	65.7°	60.0°
N2	C2	C1	H3	174.3°	180.0°
N5	C11	C12	O3	170.3°	0.0°
N5	C11	C12	N4	6.6°	180.0°
C11	C12	O3	N4	176.7°	180.0°
C11	C12	N4	C13	121.9°	180.0°
C11	C12	N4	H16	58.1°	0.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	N2	H15	35.9°	95.0°
O3	C12	N4	C13	54.9°	0.0°
O3	C12	N4	H16	125.1°	179.9°
C12	N4	C13	H16	180.0°	180.0°
C12	N4	C13	C14	48.9°	180.0°
C12	N4	C13	H4	72.0°	60.0°
C12	N4	C13	H5	169.7°	60.0°
N4	C13	C14	H4	120.8°	120.0°
N4	C13	C14	H5	120.8°	120.0°
N4	C13	C14	C15	116.5°	125.0°
N4	C13	H4	H5	117.5°	120.0°
N4	C13	C14	H6	63.5°	55.0°
C13	C14	C15	H6	180.0°	180.0°
C14	C13	H4	H5	117.5°	120.0°
C13	C14	C15	H7	180.0°	0.1°
C13	C14	C15	H8	0.0°	180.0°
C14	C13	N4	H16	131.1°	0.1°
C15	C14	C13	H4	4.3°	115.0°
C15	C14	C13	H5	122.7°	5.0°
C14	C15	H7	H8	180.0°	179.9°
H1	C1	H2	H3	120.0°	120.0°
H1	C1	C2	H9	63.8°	60.0°
H2	C1	C2	H9	176.2°	180.0°
H3	C1	C2	H9	56.2°	60.0°
H4	C13	C14	H6	175.7°	65.0°
H4	C13	N4	H16	108.1°	120.1°
H5	C13	C14	H6	57.3°	175.0°
H5	C13	N4	H16	10.3°	120.0°
H6	C14	C15	H7	0.0°	180.0°
H6	C14	C15	H8	180.0°	0.1°
H9	C2	N2	H15	81.9°	145.0°
H10	C6	C7	H11	0.1°	0.0°
H11	C7	C8	H12	0.1°	0.0°
H12	C8	C9	H13	0.1°	0.3°
H14	N1	O1	H17	180.0°	0.1°

Release date:	2024-01-31
Definition date:	2023-01-19
Last modified:	2024-01-26
Release status:	REL
Processing site:	PDBE
Derived from:	8C8B