FLL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F2	C38	sing	0.00Å	1.28Å
C38	C37	sing	0.00Å	1.37Å
C39	C38	doub	0.00Å	1.35Å
N23	C39	sing	0.00Å	1.31Å
N23	C40	sing	0.00Å	1.34Å
RU20	N23	sing	0.00Å	2.16Å
RU20	N16	sing	0.00Å	2.17Å
RU20	N21	sing	0.00Å	2.17Å
N21	C25	doub	0.00Å	1.28Å
N21	C24	sing	0.00Å	1.31Å
N16	C11	sing	0.00Å	1.32Å	Aromatic
C11	C12	doub	0.00Å	1.35Å	Aromatic
C10	C12	sing	0.00Å	1.37Å	Aromatic
C9	C10	doub	0.00Å	1.35Å	Aromatic
C8	N16	doub	0.00Å	1.30Å	Aromatic
C8	C9	sing	0.00Å	1.38Å	Aromatic
C7	C8	sing	0.00Å	1.45Å
C13	RU20	sing	0.00Å	2.14Å
O14	C13	trip	0.00Å	1.12Å
N15	RU20	sing	0.00Å	2.18Å
N15	C7	sing	0.00Å	1.40Å
C18	N15	sing	0.00Å	1.33Å
C18	C19	sing	0.00Å	1.41Å	Aromatic
C3	C19	doub	0.00Å	1.41Å	Aromatic
C4	C3	sing	0.00Å	1.41Å	Aromatic
C6	C4	doub	0.00Å	1.40Å	Aromatic
C6	C5	sing	0.00Å	1.41Å	Aromatic
C5	C18	doub	0.00Å	1.42Å	Aromatic
CL17	RU20	sing	0.00Å	2.53Å
C36	C37	doub	0.00Å	1.36Å
C36	C35	sing	0.00Å	1.40Å
C40	C36	sing	0.00Å	1.41Å
C35	C34	sing	0.00Å	1.38Å
C34	O42	doub	0.00Å	1.25Å
C34	N22	sing	0.00Å	1.31Å
C32	C35	doub	0.00Å	1.41Å
C32	C33	sing	0.00Å	1.37Å
C33	N22	sing	0.00Å	1.31Å
C33	O41	doub	0.00Å	1.24Å
C31	C32	sing	0.00Å	1.41Å
C24	C40	doub	0.00Å	1.40Å
C24	C31	sing	0.00Å	1.40Å
C30	C31	doub	0.00Å	1.37Å
C30	C29	sing	0.00Å	1.38Å
C25	C30	sing	0.00Å	1.35Å
C28	C29	doub	0.00Å	1.41Å
C28	O1	sing	0.00Å	1.26Å
C27	C28	sing	0.00Å	1.41Å
C26	C25	sing	0.00Å	1.38Å
C26	C27	doub	0.00Å	1.41Å
C39	H39	sing	0.00Å	1.08Å
C11	H11	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C10	H10	sing	0.00Å	1.08Å
C9	H9	sing	0.00Å	1.08Å
C7	H7	sing	0.00Å	1.10Å
C7	H7A	sing	0.00Å	1.10Å
C19	H19	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C4	H4	sing	0.00Å	1.08Å
C6	H6	sing	0.00Å	1.08Å
C5	H5	sing	0.00Å	1.08Å
C37	H37	sing	0.00Å	1.08Å
N22	HN22	sing	0.00Å	1.00Å
C29	H29	sing	0.00Å	1.08Å
O1	HO1	sing	0.00Å	0.95Å
C27	H27	sing	0.00Å	1.08Å
C26	H26	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F2	C38	C37	120.7°	90.0°
F2	C38	C39	120.0°	90.0°
C37	C38	C39	119.3°	90.0°
C38	C37	C36	121.3°	90.0°
C38	C37	H37	119.3°	90.0°
C38	C39	N23	120.7°	90.0°
C38	C39	H39	119.7°	90.0°
C39	N23	C40	121.7°	90.0°
C39	N23	RU20	132.8°	90.0°
N23	C39	H39	119.6°	90.0°
C40	N23	RU20	105.5°	90.0°
N23	C40	C36	120.2°	90.0°
N23	C40	C24	119.6°	90.0°
N23	RU20	N16	92.9°	90.0°
N23	RU20	N21	84.1°	90.0°
N23	RU20	C13	176.7°	90.0°
N23	RU20	N15	96.9°	90.0°
N23	RU20	CL17	88.0°	90.0°
N16	RU20	N21	174.1°	90.0°
RU20	N16	C11	125.8°	90.0°
RU20	N16	C8	102.0°	90.0°
N16	RU20	C13	89.5°	90.0°
N16	RU20	N15	82.0°	90.0°
N16	RU20	CL17	91.9°	90.0°
RU20	N21	C25	148.7°	90.0°
RU20	N21	C24	101.2°	90.0°
N21	RU20	C13	93.3°	90.0°
N21	RU20	N15	103.4°	90.0°
N21	RU20	CL17	82.8°	90.0°
C25	N21	C24	108.4°	90.0°
N21	C25	C30	111.0°	90.0°
N21	C25	C26	127.7°	90.0°
N21	C24	C40	129.5°	90.0°
N21	C24	C31	109.2°	90.0°
N16	C11	C12	120.2°	90.0°
C11	N16	C8	122.8°	90.0°
N16	C11	H11	119.9°	90.0°
C11	C12	C10	118.7°	90.0°
C12	C11	H11	119.9°	90.0°
C11	C12	H12	120.6°	90.0°
C12	C10	C9	120.1°	90.0°
C10	C12	H12	120.7°	90.0°
C12	C10	H10	119.9°	90.0°
C10	C9	C8	119.0°	90.0°
C9	C10	H10	120.0°	90.0°
C10	C9	H9	120.5°	90.0°
N16	C8	C9	119.1°	90.0°
N16	C8	C7	118.7°	90.0°
C9	C8	C7	122.2°	90.0°
C8	C9	H9	120.5°	90.0°
C8	C7	N15	108.7°	90.0°
C8	C7	H7	109.6°	90.0°
C8	C7	H7A	109.7°	90.0°
RU20	C13	O14	179.7°	90.0°
C13	RU20	N15	85.8°	90.0°
C13	RU20	CL17	89.5°	90.0°
RU20	N15	C7	98.4°	90.0°
RU20	N15	C18	134.8°	90.0°
N15	RU20	CL17	172.4°	90.0°
C7	N15	C18	126.3°	90.0°
N15	C7	H7	109.7°	90.0°
N15	C7	H7A	109.6°	90.0°
N15	C18	C19	118.7°	90.0°
N15	C18	C5	122.6°	90.0°
C18	C19	C3	120.5°	90.0°
C19	C18	C5	118.6°	90.0°
C18	C19	H19	119.7°	90.0°
C19	C3	C4	120.3°	90.0°
C3	C19	H19	119.8°	90.0°
C19	C3	H3	119.9°	90.0°
C3	C4	C6	119.9°	90.0°
C4	C3	H3	119.9°	90.0°
C3	C4	H4	120.0°	90.0°
C4	C6	C5	119.8°	90.0°
C6	C4	H4	120.1°	90.0°
C4	C6	H6	120.1°	90.0°
C6	C5	C18	120.8°	90.0°
C5	C6	H6	120.1°	90.0°
C6	C5	H5	119.6°	90.0°
C18	C5	H5	119.6°	90.0°
C37	C36	C35	124.8°	90.0°
C37	C36	C40	116.7°	90.0°
C36	C37	H37	119.4°	90.0°
C35	C36	C40	118.5°	90.0°
C36	C35	C34	132.0°	90.0°
C36	C35	C32	121.8°	90.0°
C36	C40	C24	120.2°	90.0°
C35	C34	O42	127.4°	90.0°
C35	C34	N22	105.4°	90.0°
C34	C35	C32	106.2°	90.0°
O42	C34	N22	127.1°	90.0°
C34	N22	C33	115.7°	90.0°
C34	N22	HN22	122.1°	90.0°
C35	C32	C33	107.7°	90.0°
C35	C32	C31	119.0°	90.0°
C32	C33	N22	104.9°	90.0°
C32	C33	O41	128.3°	90.0°
C33	C32	C31	133.2°	90.0°
N22	C33	O41	126.8°	90.0°
C33	N22	HN22	122.2°	90.0°
C32	C31	C24	119.1°	90.0°
C32	C31	C30	136.4°	90.0°
C40	C24	C31	121.2°	90.0°
C24	C31	C30	104.5°	90.0°
C31	C30	C29	131.9°	90.0°
C31	C30	C25	106.6°	90.0°
C29	C30	C25	121.4°	90.0°
C30	C29	C28	119.3°	90.0°
C30	C29	H29	120.3°	90.0°
C30	C25	C26	121.3°	90.0°
C29	C28	O1	119.6°	90.0°
C29	C28	C27	119.1°	90.0°
C28	C29	H29	120.3°	90.0°
O1	C28	C27	121.3°	90.0°
C28	O1	HO1	109.5°	90.0°
C28	C27	C26	119.4°	90.0°
C28	C27	H27	120.3°	90.0°
C25	C26	C27	119.3°	90.0°
C25	C26	H26	120.4°	90.0°
C26	C27	H27	120.3°	90.0°
C27	C26	H26	120.3°	90.0°
H7	C7	H7A	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F2	C38	C37	C39	179.1°	90.0°
F2	C38	C39	N23	178.7°	90.0°
F2	C38	C37	C36	178.4°	90.0°
F2	C38	C39	H39	1.3°	90.0°
F2	C38	C37	H37	1.6°	90.0°
C37	C38	C39	N23	2.2°	90.0°
C38	C37	C36	H37	180.0°	90.0°
C38	C37	C36	C35	176.2°	90.0°
C38	C37	C36	C40	2.7°	90.0°
C37	C38	C39	H39	177.8°	90.0°
C38	C39	N23	H39	180.0°	90.0°
C38	C39	N23	C40	2.9°	90.0°
C38	C39	N23	RU20	179.9°	90.0°
C39	C38	C37	C36	0.6°	90.0°
C39	C38	C37	H37	179.4°	90.0°
C39	N23	C40	RU20	177.8°	90.0°
C39	N23	RU20	N16	2.1°	90.0°
C39	N23	RU20	N21	176.9°	90.0°
C39	N23	RU20	C13	136.4°	90.0°
C39	N23	RU20	N15	80.2°	90.0°
C39	N23	RU20	CL17	93.9°	90.0°
C39	N23	C40	C36	0.7°	90.0°
C39	N23	C40	C24	176.0°	90.0°
C40	N23	RU20	N16	175.3°	90.0°
C40	N23	RU20	N21	0.5°	90.0°
N23	C40	C24	N21	3.3°	90.0°
C40	N23	RU20	C13	41.1°	90.0°
C40	N23	RU20	N15	102.4°	90.0°
C40	N23	RU20	CL17	83.5°	90.0°
N23	C40	C36	C37	2.0°	90.0°
N23	C40	C36	C35	176.8°	90.0°
N23	C40	C36	C24	176.6°	90.0°
N23	C40	C24	C31	173.2°	90.0°
C40	N23	C39	H39	177.1°	90.0°
N23	RU20	N16	N21	59.5°	90.0°
N23	RU20	N16	C13	177.6°	90.0°
N23	RU20	N16	N15	96.5°	90.0°
N23	RU20	N16	CL17	88.1°	90.0°
N23	RU20	N21	C13	177.8°	90.0°
N23	RU20	N21	N15	95.7°	90.0°
N23	RU20	N21	CL17	88.7°	90.0°
N23	RU20	N21	C25	162.3°	90.0°
N23	RU20	N21	C24	0.8°	90.0°
N23	RU20	N16	C11	115.2°	90.0°
N23	RU20	N16	C8	98.0°	90.0°
N23	RU20	C13	N15	143.6°	90.0°
N23	RU20	C13	CL17	42.4°	90.0°
N23	RU20	C13	O14	179.6°	90.0°
N23	RU20	N15	CL17	129.7°	90.0°
N23	RU20	N15	C7	64.3°	90.0°
N23	RU20	N15	C18	124.1°	90.0°
RU20	N23	C40	C36	178.5°	90.0°
RU20	N23	C40	C24	1.8°	90.0°
RU20	N23	C39	H39	0.1°	90.0°
N16	RU20	N21	C13	118.0°	90.0°
N16	RU20	N21	N15	155.6°	90.0°
N16	RU20	N21	CL17	28.8°	90.0°
N16	RU20	N21	C25	102.4°	90.0°
N16	RU20	N21	C24	59.0°	90.0°
RU20	N16	C11	C8	140.4°	90.0°
RU20	N16	C11	C12	137.8°	90.0°
RU20	N16	C8	C9	145.9°	90.0°
RU20	N16	C8	C7	33.2°	90.0°
N16	RU20	C13	N15	82.1°	90.0°
N16	RU20	C13	CL17	91.9°	90.0°
N16	RU20	C13	O14	45.3°	90.0°
N16	RU20	N15	CL17	37.7°	90.0°
N16	RU20	N15	C7	27.6°	90.0°
N16	RU20	N15	C18	143.9°	90.0°
RU20	N16	C11	H11	42.3°	90.0°
RU20	N21	C25	C24	160.8°	90.0°
N21	RU20	N16	C11	55.8°	90.0°
N21	RU20	N16	C8	157.5°	90.0°
N21	RU20	C13	N15	103.2°	90.0°
N21	RU20	C13	CL17	82.8°	90.0°
N21	RU20	C13	O14	140.0°	90.0°
N21	RU20	N15	CL17	144.8°	90.0°
N21	RU20	N15	C7	149.9°	90.0°
N21	RU20	N15	C18	38.6°	90.0°
RU20	N21	C24	C40	2.4°	90.0°
RU20	N21	C24	C31	174.4°	90.0°
RU20	N21	C25	C30	162.7°	90.0°
RU20	N21	C25	C26	16.7°	90.0°
C25	N21	RU20	C13	15.5°	90.0°
C25	N21	RU20	N15	102.0°	90.0°
C25	N21	RU20	CL17	73.6°	90.0°
C25	N21	C24	C40	172.4°	90.0°
C25	N21	C24	C31	4.4°	90.0°
N21	C25	C30	C31	1.4°	90.0°
N21	C25	C30	C29	176.9°	90.0°
N21	C25	C30	C26	179.4°	90.0°
N21	C25	C26	C27	177.5°	90.0°
N21	C25	C26	H26	2.5°	90.0°
C24	N21	RU20	C13	177.0°	90.0°
C24	N21	RU20	N15	96.5°	90.0°
C24	N21	RU20	CL17	87.9°	90.0°
N21	C24	C40	C36	180.0°	90.0°
N21	C24	C31	C32	176.9°	90.0°
N21	C24	C40	C31	176.4°	90.0°
N21	C24	C31	C30	5.1°	90.0°
C24	N21	C25	C30	1.9°	90.0°
C24	N21	C25	C26	177.5°	90.0°
N16	C11	C12	H11	180.0°	90.0°
N16	C11	C12	C10	1.1°	90.0°
C11	N16	C8	C9	2.1°	90.0°
C11	N16	C8	C7	178.7°	90.0°
C11	N16	RU20	C13	62.4°	90.0°
C11	N16	RU20	N15	148.2°	90.0°
C11	N16	RU20	CL17	27.1°	90.0°
N16	C11	C12	H12	178.9°	90.0°
C11	C12	C10	H12	180.0°	90.0°
C11	C12	C10	C9	0.7°	90.0°
C12	C11	N16	C8	2.6°	90.0°
C11	C12	C10	H10	179.3°	90.0°
C12	C10	C9	H10	180.0°	90.0°
C12	C10	C9	C8	1.2°	90.0°
C10	C12	C11	H11	178.9°	90.0°
C12	C10	C9	H9	178.8°	90.0°
C10	C9	C8	N16	0.2°	90.0°
C10	C9	C8	H9	180.0°	90.0°
C10	C9	C8	C7	179.3°	90.0°
C9	C10	C12	H12	179.3°	90.0°
N16	C8	C9	C7	179.1°	90.0°
C8	N16	RU20	C13	84.4°	90.0°
C8	N16	RU20	N15	1.5°	90.0°
N16	C8	C7	N15	65.0°	90.0°
C8	N16	RU20	CL17	173.9°	90.0°
C8	N16	C11	H11	177.4°	90.0°
N16	C8	C9	H9	179.9°	90.0°
N16	C8	C7	H7	54.8°	90.0°
N16	C8	C7	H7A	175.1°	90.0°
C9	C8	C7	N15	114.1°	90.0°
C8	C9	C10	H10	178.8°	90.0°
C9	C8	C7	H7	126.0°	90.0°
C9	C8	C7	H7A	5.8°	90.0°
C8	C7	N15	RU20	51.0°	90.0°
C8	C7	N15	H7	119.9°	90.0°
C8	C7	N15	H7A	119.9°	90.0°
C8	C7	N15	C18	121.5°	90.0°
C7	C8	C9	H9	0.7°	90.0°
C8	C7	H7	H7A	120.3°	90.0°
C13	RU20	N15	CL17	52.3°	90.0°
C13	RU20	N15	C7	117.7°	90.0°
C13	RU20	N15	C18	53.9°	90.0°
O14	C13	RU20	N15	36.8°	90.0°
O14	C13	RU20	CL17	137.2°	90.0°
RU20	N15	C7	C18	172.5°	90.0°
RU20	N15	C18	C19	48.1°	90.0°
RU20	N15	C18	C5	130.8°	90.0°
RU20	N15	C7	H7	68.9°	90.0°
RU20	N15	C7	H7A	170.9°	90.0°
C7	N15	C18	C19	142.4°	90.0°
C7	N15	C18	C5	38.8°	90.0°
C7	N15	RU20	CL17	65.3°	90.0°
N15	C7	H7	H7A	120.3°	90.0°
N15	C18	C19	C5	178.9°	90.0°
N15	C18	C19	C3	179.9°	90.0°
N15	C18	C5	C6	179.9°	90.0°
C18	N15	RU20	CL17	106.2°	90.0°
C18	N15	C7	H7	118.6°	90.0°
C18	N15	C7	H7A	1.7°	90.0°
N15	C18	C19	H19	0.2°	90.0°
N15	C18	C5	H5	0.0°	90.0°
C18	C19	C3	H19	180.0°	90.0°
C18	C19	C3	C4	0.1°	90.0°
C19	C18	C5	C6	1.2°	90.0°
C18	C19	C3	H3	180.0°	90.0°
C19	C18	C5	H5	178.8°	90.0°
C19	C3	C4	H3	180.0°	90.0°
C19	C3	C4	C6	0.6°	90.0°
C3	C19	C18	C5	1.0°	90.0°
C19	C3	C4	H4	179.4°	90.0°
C3	C4	C6	H4	180.0°	90.0°
C3	C4	C6	C5	0.4°	90.0°
C4	C3	C19	H19	180.0°	90.0°
C3	C4	C6	H6	179.6°	90.0°
C4	C6	C5	H6	180.0°	90.0°
C4	C6	C5	C18	0.5°	90.0°
C6	C4	C3	H3	179.3°	90.0°
C4	C6	C5	H5	179.5°	90.0°
C6	C5	C18	H5	180.0°	90.0°
C5	C6	C4	H4	179.6°	90.0°
C5	C18	C19	H19	179.1°	90.0°
C18	C5	C6	H6	179.5°	90.0°
C37	C36	C35	C40	178.8°	90.0°
C37	C36	C35	C34	0.5°	90.0°
C37	C36	C35	C32	177.5°	90.0°
C37	C36	C40	C24	178.7°	90.0°
C36	C35	C34	C32	178.2°	90.0°
C36	C35	C34	O42	0.3°	90.0°
C36	C35	C34	N22	179.9°	90.0°
C36	C35	C32	C33	179.2°	90.0°
C36	C35	C32	C31	1.2°	90.0°
C35	C36	C40	C24	0.2°	90.0°
C35	C36	C37	H37	3.8°	90.0°
C40	C36	C35	C34	179.3°	90.0°
C40	C36	C35	C32	1.3°	90.0°
C36	C40	C24	C31	3.5°	90.0°
C40	C36	C37	H37	177.3°	90.0°
C35	C34	O42	N22	179.4°	90.0°
C34	C35	C32	C33	2.4°	90.0°
C35	C34	N22	C33	0.4°	90.0°
C34	C35	C32	C31	177.2°	90.0°
C35	C34	N22	HN22	179.6°	90.0°
O42	C34	C35	C32	177.9°	90.0°
O42	C34	N22	C33	179.2°	90.0°
O42	C34	N22	HN22	0.8°	90.0°
N22	C34	C35	C32	1.7°	90.0°
C34	N22	C33	C32	1.2°	90.0°
C34	N22	C33	HN22	180.0°	90.0°
C34	N22	C33	O41	176.4°	90.0°
C35	C32	C33	C31	179.6°	90.0°
C35	C32	C33	N22	2.2°	90.0°
C35	C32	C33	O41	175.4°	90.0°
C35	C32	C31	C24	4.8°	90.0°
C35	C32	C31	C30	172.4°	90.0°
C32	C33	N22	O41	177.6°	90.0°
C33	C32	C31	C24	175.7°	90.0°
C33	C32	C31	C30	7.1°	90.0°
C32	C33	N22	HN22	178.8°	90.0°
N22	C33	C32	C31	177.4°	90.0°
O41	C33	C32	C31	5.0°	90.0°
O41	C33	N22	HN22	3.6°	90.0°
C32	C31	C24	C40	6.0°	90.0°
C32	C31	C24	C30	178.0°	90.0°
C32	C31	C30	C29	3.3°	90.0°
C32	C31	C30	C25	178.7°	90.0°
C40	C24	C31	C30	172.0°	90.0°
C24	C31	C30	C29	174.2°	90.0°
C24	C31	C30	C25	3.8°	90.0°
C31	C30	C29	C25	177.8°	90.0°
C31	C30	C29	C28	179.4°	90.0°
C31	C30	C25	C26	179.2°	90.0°
C31	C30	C29	H29	0.6°	90.0°
C30	C29	C28	H29	180.0°	90.0°
C30	C29	C28	O1	179.6°	90.0°
C30	C29	C28	C27	0.1°	90.0°
C29	C30	C25	C26	2.5°	90.0°
C25	C30	C29	C28	1.6°	90.0°
C30	C25	C26	C27	1.8°	90.0°
C25	C30	C29	H29	178.4°	90.0°
C30	C25	C26	H26	178.2°	90.0°
C29	C28	O1	C27	179.5°	90.0°
C29	C28	C27	C26	0.6°	90.0°
C29	C28	O1	HO1	180.0°	90.0°
C29	C28	C27	H27	179.4°	90.0°
O1	C28	C27	C26	178.9°	90.0°
O1	C28	C29	H29	0.4°	90.0°
O1	C28	C27	H27	1.1°	90.0°
C28	C27	C26	C25	0.3°	90.0°
C28	C27	C26	H27	180.0°	90.0°
C27	C28	C29	H29	179.9°	90.0°
C27	C28	O1	HO1	0.5°	90.0°
C28	C27	C26	H26	179.7°	90.0°
C25	C26	C27	H26	180.0°	90.0°
C25	C26	C27	H27	179.7°	90.0°
H11	C11	C12	H12	1.1°	90.0°
H12	C12	C10	H10	0.7°	90.0°
H10	C10	C9	H9	1.2°	90.0°
H19	C19	C3	H3	0.0°	90.0°
H3	C3	C4	H4	0.6°	90.0°
H4	C4	C6	H6	0.4°	90.0°
H6	C6	C5	H5	0.5°	90.0°
H27	C27	C26	H26	0.3°	90.0°

Definition date:	2009-01-29
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	3FXZ