943

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C07	C06	doub	1.38Å	1.39Å	Aromatic
C07	N08	sing	1.32Å	1.34Å	Aromatic
C06	C05	sing	1.40Å	1.42Å	Aromatic
N08	C09	doub	1.32Å	1.33Å	Aromatic
C05	C04	sing	1.48Å	1.52Å
C05	C10	doub	1.40Å	1.41Å	Aromatic
C09	C10	sing	1.38Å	1.40Å	Aromatic
C11	C04	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
CL2	C12	sing	1.74Å	1.73Å
C04	C03	sing	1.39Å	1.39Å	Aromatic
C12	C14	doub	1.39Å	1.39Å	Aromatic
C03	C02	doub	1.38Å	1.40Å	Aromatic
C14	C02	sing	1.39Å	1.40Å	Aromatic
C14	N15	sing	1.40Å	1.47Å
C02	CL1	sing	1.74Å	1.75Å
N15	C16	sing	1.39Å	1.46Å
O23	C22	doub	1.22Å	1.26Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C16	C21	sing	1.40Å	1.39Å	Aromatic
C22	C21	sing	1.47Å	1.51Å
C22	O24	sing	1.35Å	1.26Å
C17	C18	sing	1.38Å	1.39Å	Aromatic
C21	C20	doub	1.40Å	1.40Å	Aromatic
C18	C19	doub	1.39Å	1.39Å	Aromatic
C20	C19	sing	1.38Å	1.39Å	Aromatic
C10	H1	sing	1.08Å	1.08Å
C03	H2	sing	1.08Å	1.08Å
C06	H3	sing	1.08Å	1.08Å
C07	H4	sing	1.08Å	1.08Å
C09	H5	sing	1.08Å	1.08Å
C11	H6	sing	1.08Å	1.08Å
N15	H7	sing	0.97Å	1.00Å
C17	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C19	H10	sing	1.08Å	1.08Å
C20	H11	sing	1.08Å	1.08Å
O24	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	C07	N08	121.5°	120.9°
C07	C06	C05	118.5°	119.0°
C07	C06	H3	120.7°	120.5°
C06	C07	H4	119.2°	119.5°
C07	N08	C09	121.3°	122.0°
N08	C07	H4	119.3°	119.6°
C06	C05	C04	121.6°	120.9°
C06	C05	C10	118.5°	118.2°
C05	C06	H3	120.8°	120.5°
N08	C09	C10	121.8°	120.9°
N08	C09	H5	119.1°	119.6°
C04	C05	C10	120.0°	120.9°
C05	C04	C11	120.5°	120.0°
C05	C04	C03	119.7°	120.0°
C05	C10	C09	118.4°	119.0°
C05	C10	H1	120.8°	120.5°
C09	C10	H1	120.8°	120.5°
C10	C09	H5	119.1°	119.6°
C04	C11	C12	120.1°	119.9°
C11	C04	C03	119.8°	119.9°
C04	C11	H6	119.9°	120.0°
C11	C12	CL2	119.4°	119.9°
C11	C12	C14	120.1°	120.1°
C12	C11	H6	119.9°	120.1°
CL2	C12	C14	120.4°	120.0°
C04	C03	C02	120.3°	120.0°
C04	C03	H2	119.9°	120.0°
C12	C14	C02	119.6°	120.1°
C12	C14	N15	120.4°	119.9°
C03	C02	C14	120.0°	120.0°
C03	C02	CL1	119.8°	120.0°
C02	C03	H2	119.9°	120.0°
C02	C14	N15	119.9°	120.0°
C14	C02	CL1	120.2°	120.0°
C14	N15	C16	122.9°	120.0°
C14	N15	H7	118.5°	120.0°
N15	C16	C17	120.5°	120.2°
N15	C16	C21	119.9°	120.2°
C16	N15	H7	118.5°	120.0°
O23	C22	C21	119.4°	120.0°
O23	C22	O24	120.1°	120.0°
C17	C16	C21	119.6°	119.6°
C16	C17	C18	120.0°	120.1°
C16	C17	H8	120.0°	120.0°
C16	C21	C22	120.0°	120.2°
C16	C21	C20	120.2°	119.6°
C21	C22	O24	120.5°	120.0°
C22	C21	C20	119.8°	120.2°
C22	O24	H12	109.5°	117.0°
C17	C18	C19	120.4°	120.4°
C18	C17	H8	120.0°	119.9°
C17	C18	H9	119.8°	119.8°
C21	C20	C19	119.9°	119.9°
C21	C20	H11	120.0°	120.0°
C18	C19	C20	119.8°	120.3°
C19	C18	H9	119.8°	119.8°
C18	C19	H10	120.1°	119.8°
C20	C19	H10	120.1°	119.8°
C19	C20	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C06	C07	N08	H4	180.0°	180.0°
C07	C06	C05	H3	180.0°	180.0°
C06	C07	N08	C09	0.3°	0.3°
C07	C06	C05	C04	179.6°	180.0°
C07	C06	C05	C10	0.2°	0.0°
N08	C07	C06	C05	0.2°	0.0°
C07	N08	C09	C10	0.0°	0.6°
N08	C07	C06	H3	179.9°	180.0°
C07	N08	C09	H5	180.0°	180.0°
C06	C05	C04	C10	179.3°	180.0°
C06	C05	C10	C09	0.4°	0.3°
C06	C05	C04	C11	29.1°	180.0°
C06	C05	C04	C03	152.1°	0.0°
C06	C05	C10	H1	179.6°	180.0°
C05	C06	C07	H4	179.8°	180.0°
N08	C09	C10	C05	0.3°	0.6°
N08	C09	C10	H5	180.0°	179.4°
N08	C09	C10	H1	179.7°	179.8°
C09	N08	C07	H4	179.7°	179.7°
C04	C05	C10	C09	179.8°	179.7°
C05	C04	C11	C03	178.8°	180.0°
C05	C04	C11	C12	179.5°	180.0°
C05	C04	C03	C02	179.5°	180.0°
C04	C05	C10	H1	0.2°	0.0°
C05	C04	C03	H2	0.5°	0.0°
C04	C05	C06	H3	0.4°	0.0°
C05	C04	C11	H6	0.5°	0.0°
C05	C10	C09	H1	180.0°	179.6°
C10	C05	C04	C11	150.2°	0.0°
C10	C05	C04	C03	28.6°	180.0°
C10	C05	C06	H3	179.8°	180.0°
C05	C10	C09	H5	179.7°	180.0°
C04	C11	C12	H6	180.0°	180.0°
C04	C11	C12	CL2	179.7°	179.7°
C04	C11	C12	C14	0.6°	0.0°
C11	C04	C03	C02	0.7°	0.0°
C11	C04	C03	H2	179.3°	180.0°
C11	C12	CL2	C14	179.7°	179.8°
C12	C11	C04	C03	0.7°	0.0°
C11	C12	C14	C02	0.6°	0.0°
C11	C12	C14	N15	179.8°	180.0°
CL2	C12	C14	C02	179.7°	179.7°
CL2	C12	C14	N15	0.5°	0.3°
CL2	C12	C11	H6	0.3°	0.2°
C04	C03	C02	H2	180.0°	180.0°
C04	C03	C02	C14	0.7°	0.0°
C04	C03	C02	CL1	179.7°	180.0°
C03	C04	C11	H6	179.3°	180.0°
C12	C14	C02	C03	0.6°	0.0°
C12	C14	C02	N15	179.3°	180.0°
C12	C14	C02	CL1	179.8°	180.0°
C12	C14	N15	C16	93.8°	153.9°
C14	C12	C11	H6	179.4°	180.0°
C12	C14	N15	H7	86.2°	26.1°
C03	C02	C14	CL1	179.6°	180.0°
C03	C02	C14	N15	179.9°	180.0°
C02	C14	N15	C16	86.9°	26.2°
C14	C02	C03	H2	179.3°	180.0°
C02	C14	N15	H7	93.1°	153.8°
N15	C14	C02	CL1	0.6°	0.0°
C14	N15	C16	H7	180.0°	180.0°
C14	N15	C16	C17	32.5°	109.4°
C14	N15	C16	C21	148.2°	70.8°
CL1	C02	C03	H2	0.3°	0.0°
N15	C16	C17	C21	179.3°	179.7°
N15	C16	C21	C22	0.7°	0.0°
N15	C16	C17	C18	179.6°	180.0°
N15	C16	C21	C20	179.7°	179.6°
N15	C16	C17	H8	0.3°	0.0°
O23	C22	C21	C16	10.8°	6.4°
O23	C22	C21	O24	179.6°	180.0°
O23	C22	C21	C20	168.8°	174.0°
O23	C22	O24	H12	0.0°	0.0°
C17	C16	C21	C22	180.0°	179.7°
C16	C17	C18	H8	180.0°	180.0°
C17	C16	C21	C20	0.4°	0.6°
C16	C17	C18	C19	0.2°	0.1°
C17	C16	N15	H7	147.5°	70.6°
C16	C17	C18	H9	179.8°	179.9°
C16	C21	C22	C20	179.6°	179.6°
C16	C21	C22	O24	169.6°	173.6°
C21	C16	C17	C18	0.3°	0.3°
C16	C21	C20	C19	0.3°	0.7°
C21	C16	N15	H7	31.8°	109.2°
C21	C16	C17	H8	179.6°	179.7°
C16	C21	C20	H11	179.7°	179.7°
C22	C21	C20	C19	179.9°	179.7°
C22	C21	C20	H11	0.1°	0.1°
C21	C22	O24	H12	179.6°	180.0°
O24	C22	C21	C20	10.8°	6.0°
C17	C18	C19	H9	180.0°	179.9°
C17	C18	C19	C20	0.1°	0.0°
C17	C18	C19	H10	179.9°	180.0°
C21	C20	C19	C18	0.2°	0.3°
C21	C20	C19	H11	180.0°	179.6°
C21	C20	C19	H10	179.9°	179.7°
C18	C19	C20	H10	180.0°	180.0°
C19	C18	C17	H8	179.8°	180.0°
C18	C19	C20	H11	179.8°	180.0°
C20	C19	C18	H9	179.9°	179.9°
H1	C10	C09	H5	0.3°	0.4°
H3	C06	C07	H4	0.1°	0.0°
H8	C17	C18	H9	0.2°	0.1°
H9	C18	C19	H10	0.1°	0.1°
H10	C19	C20	H11	0.2°	0.0°

Release date:	2022-07-06
Definition date:	2022-01-01
Last modified:	2022-07-01
Release status:	REL
Processing site:	PDBJ
Derived from:	7WCV