Z23

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.41Å	Aromatic
C1	C6	sing	1.38Å	1.41Å	Aromatic
C1	H29	sing	1.08Å	1.08Å
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	C23	sing	1.48Å	1.49Å
C3	C4	doub	1.39Å	1.42Å	Aromatic
C3	H30	sing	1.08Å	1.08Å
C4	C5	sing	1.39Å	1.41Å	Aromatic
C4	O7	sing	1.36Å	1.37Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H31	sing	1.08Å	1.08Å
C6	H32	sing	1.08Å	1.08Å
O7	C8	sing	1.36Å	1.37Å
C8	N9	doub	1.32Å	1.37Å	Aromatic
C8	C11	sing	1.39Å	1.42Å	Aromatic
N9	C10	sing	1.32Å	1.37Å	Aromatic
C10	C13	doub	1.39Å	1.42Å	Aromatic
C10	O14	sing	1.36Å	1.37Å
C11	C12	doub	1.39Å	1.41Å	Aromatic
C11	F26	sing	1.35Å	1.32Å
C12	C13	sing	1.39Å	1.41Å	Aromatic
C12	C27	sing	1.51Å	1.52Å
C13	F28	sing	1.35Å	1.32Å
O14	C15	sing	1.36Å	1.37Å
C15	C16	doub	1.39Å	1.42Å	Aromatic
C15	C20	sing	1.39Å	1.42Å	Aromatic
C16	C17	sing	1.38Å	1.41Å	Aromatic
C16	H33	sing	1.08Å	1.08Å
C17	C18	doub	1.38Å	1.41Å	Aromatic
C17	H34	sing	1.08Å	1.08Å
C18	C19	sing	1.40Å	1.41Å	Aromatic
C18	H35	sing	1.08Å	1.08Å
C19	C20	doub	1.39Å	1.41Å	Aromatic
C19	C21	sing	1.48Å	1.48Å
C20	H36	sing	1.08Å	1.08Å
C21	N22	sing	1.33Å	1.31Å
C21	N38	doub	1.33Å	1.32Å
N22	H39	sing	0.97Å	1.01Å
N22	H46	sing	0.97Å	1.01Å
C23	N24	sing	1.33Å	1.31Å
C23	N25	doub	1.33Å	1.32Å
N24	H40	sing	0.97Å	1.02Å
N24	H48	sing	0.97Å	1.01Å
N25	H41	sing	0.97Å	1.02Å
N25	H47	sing	0.97Å	1.02Å
C27	H42	sing	1.09Å	1.09Å
C27	H43	sing	1.09Å	1.09Å
C27	H44	sing	1.09Å	1.09Å
N38	H49	sing	0.97Å	1.01Å
N38	H50	sing	0.97Å	1.01Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.9°	120.0°
C2	C1	H29	121.1°	120.0°
C1	C2	C3	118.4°	119.8°
C1	C2	C23	120.8°	120.1°
C6	C1	H29	118.0°	120.0°
C1	C6	C5	120.3°	120.2°
C1	C6	H32	120.6°	119.9°
C3	C2	C23	120.8°	120.2°
C2	C3	C4	120.8°	119.8°
C2	C3	H30	121.0°	120.1°
C2	C23	N24	121.8°	120.1°
C2	C23	N25	122.5°	119.9°
C4	C3	H30	118.1°	120.1°
C3	C4	C5	119.7°	120.0°
C3	C4	O7	120.7°	120.0°
C5	C4	O7	119.6°	120.0°
C4	C5	C6	119.8°	120.3°
C4	C5	H31	120.1°	119.9°
C4	O7	C8	123.0°	106.8°
C6	C5	H31	120.2°	119.8°
C5	C6	H32	119.0°	119.9°
O7	C8	N9	120.2°	119.6°
O7	C8	C11	118.8°	119.6°
N9	C8	C11	120.9°	120.7°
C8	N9	C10	120.2°	121.6°
C8	C11	C12	119.7°	119.2°
C8	C11	F26	120.1°	120.4°
N9	C10	C13	120.9°	120.7°
N9	C10	O14	119.5°	119.7°
C13	C10	O14	119.5°	119.6°
C10	C13	C12	119.7°	119.2°
C10	C13	F28	120.0°	120.4°
C10	O14	C15	126.4°	106.8°
C12	C11	F26	120.2°	120.4°
C11	C12	C13	118.6°	118.5°
C11	C12	C27	120.5°	120.8°
C13	C12	C27	120.9°	120.8°
C12	C13	F28	120.3°	120.4°
C12	C27	H42	110.3°	109.5°
C12	C27	H43	110.8°	109.5°
C12	C27	H44	109.4°	109.5°
O14	C15	C16	122.9°	120.0°
O14	C15	C20	118.0°	120.0°
C16	C15	C20	119.1°	120.0°
C15	C16	C17	119.9°	120.2°
C15	C16	H33	120.9°	119.9°
C15	C20	C19	121.1°	119.8°
C15	C20	H36	118.5°	120.1°
C17	C16	H33	119.2°	119.8°
C16	C17	C18	120.4°	120.2°
C16	C17	H34	119.9°	119.9°
C18	C17	H34	119.7°	119.9°
C17	C18	C19	120.5°	120.0°
C17	C18	H35	119.2°	120.0°
C19	C18	H35	120.3°	120.1°
C18	C19	C20	119.0°	119.8°
C18	C19	C21	120.5°	120.1°
C20	C19	C21	120.5°	120.1°
C19	C20	H36	120.4°	120.1°
C19	C21	N22	121.6°	120.0°
C19	C21	N38	121.0°	120.0°
N22	C21	N38	117.4°	120.0°
C21	N22	H39	120.1°	120.0°
C21	N22	H46	121.1°	120.0°
C21	N38	H49	120.1°	120.0°
C21	N38	H50	120.9°	120.0°
H39	N22	H46	118.7°	120.0°
N24	C23	N25	115.7°	120.0°
C23	N24	H40	120.0°	120.0°
C23	N24	H48	121.0°	120.0°
C23	N25	H41	118.6°	120.0°
C23	N25	H47	122.0°	120.0°
H40	N24	H48	118.2°	119.9°
H41	N25	H47	119.0°	120.0°
H42	C27	H43	108.0°	109.5°
H42	C27	H44	109.1°	109.5°
H43	C27	H44	109.0°	109.4°
H49	N38	H50	118.8°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H29	179.8°	179.9°
C1	C2	C3	C23	180.0°	179.8°
C1	C2	C3	C4	1.8°	0.5°
C1	C2	C3	H30	179.0°	179.9°
C2	C1	C6	C5	1.3°	0.1°
C2	C1	C6	H32	179.9°	180.0°
C1	C2	C23	N24	8.0°	0.0°
C1	C2	C23	N25	173.2°	180.0°
C6	C1	C2	C3	0.1°	0.3°
C6	C1	C2	C23	179.9°	179.9°
C1	C6	C5	C4	0.6°	0.0°
C1	C6	C5	H32	178.6°	179.9°
C1	C6	C5	H31	178.8°	179.9°
H29	C1	C2	C3	179.7°	179.8°
H29	C1	C2	C23	0.3°	0.0°
H29	C1	C6	C5	178.5°	179.9°
H29	C1	C6	H32	0.1°	0.2°
C2	C3	C4	H30	179.2°	179.5°
C2	C3	C4	C5	2.5°	0.5°
C2	C3	C4	O7	179.2°	179.7°
C3	C2	C23	N24	171.9°	179.8°
C3	C2	C23	N25	6.8°	0.2°
C23	C2	C3	C4	178.2°	179.7°
C23	C2	C3	H30	1.0°	0.2°
C2	C23	N24	N25	178.9°	180.0°
C2	C23	N24	H40	175.1°	0.0°
C2	C23	N24	H48	5.8°	179.9°
C2	C23	N25	H41	172.8°	179.9°
C2	C23	N25	H47	0.8°	0.0°
C3	C4	C5	O7	178.3°	179.8°
C3	C4	C5	C6	1.3°	0.3°
C3	C4	C5	H31	179.3°	179.7°
C3	C4	O7	C8	59.7°	172.6°
H30	C3	C4	C5	178.3°	180.0°
H30	C3	C4	O7	0.1°	0.2°
C4	C5	C6	H31	179.4°	180.0°
C4	C5	C6	H32	179.2°	180.0°
C5	C4	O7	C8	122.0°	7.2°
O7	C4	C5	C6	179.7°	179.9°
O7	C4	C5	H31	1.0°	0.1°
C4	O7	C8	N9	44.9°	69.4°
C4	O7	C8	C11	131.9°	110.9°
H31	C5	C6	H32	0.2°	0.0°
O7	C8	N9	C11	176.8°	179.6°
O7	C8	N9	C10	176.3°	180.0°
O7	C8	C11	C12	175.7°	179.8°
O7	C8	C11	F26	4.1°	0.4°
C8	N9	C10	C13	0.3°	0.0°
C8	N9	C10	O14	177.0°	180.0°
N9	C8	C11	C12	1.1°	0.6°
N9	C8	C11	F26	179.1°	180.0°
C11	C8	N9	C10	0.4°	0.3°
C8	C11	C12	F26	179.8°	179.4°
C8	C11	C12	C13	1.1°	0.5°
C8	C11	C12	C27	179.1°	179.7°
N9	C10	C13	O14	176.7°	180.0°
N9	C10	C13	C12	0.3°	0.0°
N9	C10	C13	F28	179.1°	179.9°
N9	C10	O14	C15	71.9°	79.8°
C10	C13	C12	C11	0.4°	0.2°
C10	C13	C12	F28	179.4°	179.9°
C10	C13	C12	C27	179.8°	180.0°
C13	C10	O14	C15	111.4°	100.3°
O14	C10	C13	C12	177.0°	180.0°
O14	C10	C13	F28	2.4°	0.1°
C10	O14	C15	C16	10.2°	160.3°
C10	O14	C15	C20	172.1°	19.5°
C11	C12	C13	C27	179.8°	179.8°
C11	C12	C13	F28	179.8°	179.6°
C11	C12	C27	H42	34.4°	90.3°
C11	C12	C27	H43	154.0°	29.8°
C11	C12	C27	H44	85.7°	149.7°
F26	C11	C12	C13	179.1°	179.9°
F26	C11	C12	C27	0.7°	0.3°
C13	C12	C27	H42	145.8°	90.0°
C13	C12	C27	H43	26.2°	150.0°
C13	C12	C27	H44	94.1°	30.1°
C27	C12	C13	F28	0.4°	0.1°
C12	C27	H42	H43	121.3°	120.1°
C12	C27	H42	H44	120.3°	120.0°
C12	C27	H43	H44	120.5°	120.0°
O14	C15	C16	C20	177.6°	179.7°
O14	C15	C16	C17	177.7°	180.0°
O14	C15	C16	H33	1.6°	0.0°
O14	C15	C20	C19	176.9°	179.7°
O14	C15	C20	H36	2.8°	0.2°
C15	C16	C17	H33	179.3°	180.0°
C15	C16	C17	C18	0.7°	0.0°
C15	C16	C17	H34	179.7°	180.0°
C16	C15	C20	C19	0.9°	0.6°
C16	C15	C20	H36	179.5°	179.9°
C20	C15	C16	C17	0.1°	0.3°
C20	C15	C16	H33	179.2°	179.7°
C15	C20	C19	C18	1.2°	0.5°
C15	C20	C19	H36	179.7°	179.5°
C15	C20	C19	C21	178.4°	179.7°
C16	C17	C18	H34	179.1°	180.0°
C16	C17	C18	C19	0.3°	0.0°
C16	C17	C18	H35	179.0°	180.0°
H33	C16	C17	C18	178.7°	180.0°
H33	C16	C17	H34	0.4°	0.0°
C17	C18	C19	H35	179.3°	180.0°
C17	C18	C19	C20	0.7°	0.3°
C17	C18	C19	C21	179.0°	180.0°
H34	C17	C18	C19	179.3°	180.0°
H34	C17	C18	H35	0.1°	0.0°
C18	C19	C20	C21	179.6°	179.7°
C18	C19	C20	H36	179.1°	179.9°
C18	C19	C21	N22	34.3°	0.0°
C18	C19	C21	N38	145.7°	180.0°
H35	C18	C19	C20	179.9°	179.8°
H35	C18	C19	C21	0.3°	0.0°
C20	C19	C21	N22	146.1°	179.8°
C20	C19	C21	N38	33.9°	0.3°
C21	C19	C20	H36	1.3°	0.2°
C19	C21	N22	N38	180.0°	180.0°
C19	C21	N22	H39	179.9°	0.0°
C19	C21	N22	H46	3.3°	179.9°
C19	C21	N38	H49	2.9°	179.9°
C19	C21	N38	H50	177.6°	0.0°
C21	N22	H39	H46	176.7°	179.9°
N22	C21	N38	H49	177.1°	0.0°
N22	C21	N38	H50	2.3°	180.0°
N38	C21	N22	H39	0.1°	180.0°
N38	C21	N22	H46	176.7°	0.0°
C21	N38	H49	H50	174.9°	180.0°
C23	N24	H40	H48	169.6°	180.0°
N24	C23	N25	H41	6.1°	0.1°
N24	C23	N25	H47	178.1°	180.0°
N25	C23	N24	H40	3.7°	180.0°
N25	C23	N24	H48	173.1°	0.1°
C23	N25	H41	H47	172.2°	179.9°
H42	C27	H43	H44	118.5°	120.0°

Definition date:	1999-08-30
Last modified:	2021-03-01
Release status:	REL
Processing site:	EBI
Derived from:	1CU9