U7L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	doub	1.38Å	1.41Å	Aromatic
C17	C12	sing	1.39Å	1.41Å	Aromatic
C18	N10	sing	1.46Å	1.45Å
C16	C15	sing	1.39Å	1.41Å	Aromatic
C12	N10	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.40Å	1.43Å	Aromatic
N10	C11	sing	1.36Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.39Å	1.42Å	Aromatic
C13	C9	sing	1.47Å	1.44Å	Aromatic
C11	C9	doub	1.36Å	1.37Å	Aromatic
O20	C19	sing	1.43Å	1.41Å
C9	C3	sing	1.47Å	1.46Å
C3	C4	doub	1.37Å	1.37Å	Aromatic
C3	O2	sing	1.35Å	1.36Å	Aromatic
C19	C4	sing	1.51Å	1.51Å
C4	C5	sing	1.42Å	1.44Å	Aromatic
O2	N1	sing	1.21Å	1.41Å	Aromatic
C5	N1	doub	1.31Å	1.33Å	Aromatic
C5	C6	sing	1.48Å	1.52Å
C6	O8	doub	1.21Å	1.26Å
C6	O7	sing	1.35Å	1.26Å
C11	H1	sing	1.08Å	1.08Å
C14	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C16	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C18	H6	sing	1.09Å	1.10Å
C18	H7	sing	1.09Å	1.10Å
C18	H8	sing	1.09Å	1.10Å
C19	H9	sing	1.09Å	1.10Å
C19	H10	sing	1.09Å	1.10Å
O20	H11	sing	0.97Å	0.95Å
O7	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C17	C12	119.5°	120.0°
C17	C16	C15	119.7°	120.6°
C17	C16	H4	120.1°	119.7°
C16	C17	H5	120.2°	120.0°
C17	C12	N10	131.7°	133.2°
C17	C12	C13	122.0°	119.4°
C12	C17	H5	120.2°	120.0°
C18	N10	C12	125.7°	124.9°
C18	N10	C11	125.6°	124.9°
N10	C18	H6	109.5°	109.5°
N10	C18	H7	109.4°	109.5°
N10	C18	H8	109.5°	109.4°
C16	C15	C14	120.4°	120.3°
C16	C15	H3	119.8°	119.8°
C15	C16	H4	120.2°	119.7°
N10	C12	C13	106.3°	107.5°
C12	N10	C11	108.7°	110.2°
C12	C13	C14	117.0°	120.1°
C12	C13	C9	108.6°	106.0°
N10	C11	C9	111.1°	109.8°
N10	C11	H1	124.4°	125.1°
C15	C14	C13	121.4°	119.7°
C15	C14	H2	119.3°	120.1°
C14	C15	H3	119.8°	119.9°
C14	C13	C9	134.3°	134.0°
C13	C14	H2	119.3°	120.2°
C13	C9	C11	105.2°	106.6°
C13	C9	C3	127.5°	126.7°
C11	C9	C3	127.4°	126.7°
C9	C11	H1	124.4°	125.2°
O20	C19	C4	113.0°	109.5°
O20	C19	H9	108.6°	109.5°
O20	C19	H10	108.6°	109.5°
C19	O20	H11	109.5°	114.0°
C9	C3	C4	131.6°	126.9°
C9	C3	O2	117.1°	126.8°
C4	C3	O2	111.3°	106.3°
C3	C4	C19	127.1°	128.1°
C3	C4	C5	102.9°	103.8°
C3	O2	N1	108.2°	111.7°
C19	C4	C5	129.9°	128.1°
C4	C19	H9	108.6°	109.4°
C4	C19	H10	108.6°	109.4°
C4	C5	N1	111.3°	106.3°
C4	C5	C6	121.6°	126.8°
O2	N1	C5	106.3°	111.8°
N1	C5	C6	127.1°	126.8°
C5	C6	O8	119.7°	120.0°
C5	C6	O7	118.7°	120.0°
O8	C6	O7	121.6°	120.0°
C6	O7	H12	109.5°	117.0°
H6	C18	H7	109.5°	109.5°
H6	C18	H8	109.5°	109.4°
H7	C18	H8	109.5°	109.5°
H9	C19	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C17	C12	H5	180.0°	180.0°
C17	C16	C15	H4	180.0°	180.0°
C16	C17	C12	N10	179.9°	180.0°
C16	C17	C12	C13	0.0°	0.0°
C17	C16	C15	C14	0.1°	0.0°
C17	C16	C15	H3	179.8°	179.9°
C17	C12	N10	C18	0.0°	0.1°
C12	C17	C16	C15	0.1°	0.0°
C17	C12	N10	C13	179.9°	180.0°
C17	C12	N10	C11	180.0°	180.0°
C17	C12	C13	C14	0.1°	0.0°
C17	C12	C13	C9	179.9°	179.8°
C12	C17	C16	H4	179.9°	180.0°
C18	N10	C12	C11	180.0°	180.0°
C18	N10	C12	C13	179.9°	180.0°
C18	N10	C11	C9	180.0°	179.8°
C18	N10	C11	H1	0.0°	0.2°
N10	C18	H6	H7	120.0°	120.1°
N10	C18	H6	H8	120.0°	119.9°
N10	C18	H7	H8	120.0°	119.9°
C16	C15	C14	H3	180.0°	180.0°
C16	C15	C14	C13	0.0°	0.0°
C16	C15	C14	H2	180.0°	180.0°
C15	C16	C17	H5	179.9°	180.0°
N10	C12	C13	C14	180.0°	180.0°
N10	C12	C13	C9	0.1°	0.2°
C12	N10	C11	C9	0.0°	0.2°
C12	N10	C11	H1	180.0°	179.8°
N10	C12	C17	H5	0.1°	0.0°
C12	N10	C18	H6	180.0°	89.9°
C12	N10	C18	H7	60.0°	150.0°
C12	N10	C18	H8	60.0°	30.0°
C13	C12	N10	C11	0.1°	0.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	C9	179.8°	179.8°
C12	C13	C9	C11	0.1°	0.3°
C12	C13	C9	C3	179.9°	179.9°
C12	C13	C14	H2	179.9°	179.9°
C13	C12	C17	H5	180.0°	180.0°
N10	C11	C9	C13	0.1°	0.3°
N10	C11	C9	H1	180.0°	180.0°
N10	C11	C9	C3	179.9°	180.0°
C11	N10	C18	H6	0.0°	90.0°
C11	N10	C18	H7	120.0°	30.1°
C11	N10	C18	H8	120.0°	150.1°
C15	C14	C13	H2	180.0°	179.9°
C15	C14	C13	C9	179.9°	179.8°
C14	C15	C16	H4	179.9°	180.0°
C14	C13	C9	C11	180.0°	179.9°
C14	C13	C9	C3	0.0°	0.2°
C13	C14	C15	H3	179.9°	179.9°
C13	C9	C11	C3	180.0°	179.7°
C13	C9	C3	C4	171.8°	133.3°
C13	C9	C3	O2	8.5°	46.5°
C13	C9	C11	H1	179.9°	179.7°
C9	C13	C14	H2	0.1°	0.3°
C11	C9	C3	C4	8.1°	46.3°
C11	C9	C3	O2	171.5°	133.9°
O20	C19	C4	C3	63.7°	95.5°
O20	C19	C4	H9	120.5°	120.0°
O20	C19	C4	H10	120.5°	120.0°
O20	C19	C4	C5	115.9°	84.5°
O20	C19	H9	H10	118.4°	120.0°
C9	C3	C4	O2	179.7°	179.8°
C9	C3	C4	C19	0.3°	0.2°
C9	C3	C4	C5	179.9°	179.8°
C9	C3	O2	N1	179.8°	179.8°
C3	C9	C11	H1	0.0°	0.1°
C3	C4	C19	C5	179.5°	180.0°
C4	C3	O2	N1	0.1°	0.0°
C3	C4	C5	N1	0.6°	0.0°
C3	C4	C5	C6	179.6°	180.0°
C3	C4	C19	H9	175.8°	144.5°
C3	C4	C19	H10	56.8°	24.5°
O2	C3	C4	C19	180.0°	180.0°
O2	C3	C4	C5	0.4°	0.0°
C3	O2	N1	C5	0.3°	0.1°
C19	C4	C5	N1	179.8°	180.0°
C19	C4	C5	C6	0.8°	0.0°
C4	C19	H9	H10	118.4°	120.0°
C4	C19	O20	H11	180.0°	180.0°
C4	C5	N1	O2	0.6°	0.1°
C4	C5	N1	C6	178.9°	180.0°
C4	C5	C6	O8	146.1°	0.0°
C4	C5	C6	O7	35.2°	180.0°
C5	C4	C19	H9	4.6°	35.5°
C5	C4	C19	H10	123.6°	155.5°
O2	N1	C5	C6	179.5°	180.0°
N1	C5	C6	O8	35.1°	180.0°
N1	C5	C6	O7	143.7°	0.0°
C5	C6	O8	O7	178.7°	180.0°
C5	C6	O7	H12	178.7°	180.0°
O8	C6	O7	H12	0.0°	0.0°
H2	C14	C15	H3	0.1°	0.0°
H3	C15	C16	H4	0.2°	0.0°
H4	C16	C17	H5	0.1°	0.0°
H6	C18	H7	H8	120.0°	120.0°
H9	C19	O20	H11	59.5°	60.0°
H10	C19	O20	H11	59.5°	60.0°

Release date:	2024-02-28
Definition date:	2023-05-21
Last modified:	2024-02-23
Release status:	REL
Processing site:	PDBJ
Derived from:	8JBY