OLF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.37Å	1.37Å	Aromatic
N1	C4	sing	1.38Å	1.36Å	Aromatic
N1	C7	sing	1.47Å	1.47Å
C2	N3	doub	1.31Å	1.30Å	Aromatic
C2	C14	sing	1.48Å	1.46Å	Aromatic
N3	C5	sing	1.36Å	1.35Å	Aromatic
C4	C5	doub	1.41Å	1.41Å	Aromatic
C4	C8	sing	1.39Å	1.38Å	Aromatic
C5	C10	sing	1.40Å	1.40Å	Aromatic
C6	C7	sing	1.51Å	1.51Å
C6	N9	sing	1.35Å	1.36Å
C6	O19	doub	1.21Å	1.22Å
C7	C23	sing	1.53Å	1.54Å
C8	C11	doub	1.38Å	1.38Å	Aromatic
N9	C12	sing	1.39Å	1.40Å
C10	C15	doub	1.38Å	1.38Å	Aromatic
C11	C15	sing	1.39Å	1.38Å	Aromatic
C11	F26	sing	1.35Å	1.35Å
C12	C18	doub	1.39Å	1.40Å	Aromatic
C12	C21	sing	1.39Å	1.40Å	Aromatic
C13	C16	sing	1.47Å	1.48Å
C13	O20	doub	1.22Å	1.21Å
C13	O28	sing	1.35Å	1.35Å
C14	C24	doub	1.40Å	1.40Å	Aromatic
C14	C25	sing	1.39Å	1.40Å	Aromatic
C15	F27	sing	1.35Å	1.33Å
C16	C17	doub	1.40Å	1.40Å	Aromatic
C16	C22	sing	1.40Å	1.40Å	Aromatic
C17	C18	sing	1.38Å	1.40Å	Aromatic
C18	C33	sing	1.51Å	1.52Å
C21	C22	doub	1.38Å	1.38Å	Aromatic
C23	C34	sing	1.53Å	1.53Å
C23	C35	sing	1.53Å	1.53Å
C24	C30	sing	1.38Å	1.38Å	Aromatic
C25	C31	doub	1.38Å	1.38Å	Aromatic
C29	C30	doub	1.38Å	1.39Å	Aromatic
C29	C31	sing	1.38Å	1.40Å	Aromatic
C29	CL32	sing	1.74Å	1.74Å
C34	C37	sing	1.53Å	1.54Å
C35	C36	sing	1.53Å	1.54Å
C36	C38	sing	1.53Å	1.53Å
C37	C38	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.08Å	1.08Å
N9	HN9	sing	0.97Å	1.00Å
C10	H10	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.09Å	1.10Å
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å
C30	H30	sing	1.08Å	1.08Å
C31	H31	sing	1.08Å	1.08Å
C33	H33	sing	1.09Å	1.10Å
C33	H33A	sing	1.09Å	1.10Å
C33	H33B	sing	1.09Å	1.10Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C36	H36	sing	1.09Å	1.10Å
C36	H36A	sing	1.09Å	1.10Å
C37	H37	sing	1.09Å	1.10Å
C37	H37A	sing	1.09Å	1.10Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
O28	H28	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C4	107.2°	107.2°
C2	N1	C7	125.2°	126.4°
N1	C2	N3	110.9°	109.7°
N1	C2	C14	122.9°	125.1°
C4	N1	C7	127.6°	126.4°
N1	C4	C5	105.6°	106.2°
N1	C4	C8	133.0°	133.8°
N1	C7	C6	111.9°	109.5°
N1	C7	C23	114.3°	109.4°
N1	C7	H7	109.9°	109.5°
N3	C2	C14	126.2°	125.1°
C2	N3	C5	108.2°	109.7°
C2	C14	C24	119.8°	120.1°
C2	C14	C25	119.7°	120.2°
N3	C5	C4	108.1°	107.2°
N3	C5	C10	132.7°	133.3°
C5	C4	C8	121.4°	120.0°
C4	C5	C10	119.2°	119.5°
C4	C8	C11	118.4°	119.9°
C4	C8	H8	120.8°	120.1°
C5	C10	C15	118.5°	119.7°
C5	C10	H10	120.7°	120.1°
C7	C6	N9	116.2°	120.0°
C7	C6	O19	122.3°	120.0°
C6	C7	C23	121.0°	109.5°
C6	C7	H7	100.1°	109.5°
N9	C6	O19	121.5°	120.1°
C6	N9	C12	124.6°	120.0°
C6	N9	HN9	117.7°	120.0°
C7	C23	C34	115.0°	109.5°
C7	C23	C35	117.0°	109.5°
C23	C7	H7	96.7°	109.5°
C7	C23	H23	100.0°	109.5°
C8	C11	C15	120.5°	120.3°
C8	C11	F26	120.8°	119.8°
C11	C8	H8	120.8°	120.0°
N9	C12	C18	121.0°	119.9°
N9	C12	C21	118.9°	119.9°
C12	N9	HN9	117.7°	120.0°
C10	C15	C11	122.0°	120.5°
C10	C15	F27	120.5°	119.7°
C15	C10	H10	120.7°	120.1°
C15	C11	F26	118.7°	119.8°
C11	C15	F27	117.5°	119.7°
C18	C12	C21	120.1°	120.2°
C12	C18	C17	119.3°	120.0°
C12	C18	C33	121.1°	120.0°
C12	C21	C22	120.1°	120.0°
C12	C21	H21	120.0°	120.0°
C16	C13	O20	121.7°	120.0°
C16	C13	O28	119.8°	120.0°
C13	C16	C17	119.9°	120.1°
C13	C16	C22	120.7°	120.0°
O20	C13	O28	118.5°	120.0°
C13	O28	H28	109.5°	117.0°
C24	C14	C25	120.4°	119.8°
C14	C24	C30	119.4°	119.8°
C14	C24	H24	120.3°	120.1°
C14	C25	C31	119.5°	119.9°
C14	C25	H25	120.3°	120.1°
C17	C16	C22	119.4°	119.9°
C16	C17	C18	120.6°	119.9°
C16	C17	H17	119.7°	120.1°
C16	C22	C21	120.4°	119.9°
C16	C22	H22	119.8°	120.1°
C17	C18	C33	119.5°	119.9°
C18	C17	H17	119.7°	120.0°
C18	C33	H33	109.5°	109.4°
C18	C33	H33A	109.4°	109.5°
C18	C33	H33B	109.4°	109.4°
C22	C21	H21	119.9°	119.9°
C21	C22	H22	119.8°	120.0°
C34	C23	C35	111.9°	109.4°
C23	C34	C37	109.6°	109.5°
C34	C23	H23	106.8°	109.5°
C23	C34	H34	109.5°	109.5°
C23	C34	H34A	109.4°	109.5°
C23	C35	C36	110.4°	109.5°
C35	C23	H23	104.2°	109.4°
C23	C35	H35	109.2°	109.4°
C23	C35	H35A	109.2°	109.4°
C24	C30	C29	120.5°	120.2°
C30	C24	H24	120.3°	120.1°
C24	C30	H30	119.7°	120.0°
C25	C31	C29	119.9°	120.1°
C31	C25	H25	120.3°	120.1°
C25	C31	H31	120.0°	120.0°
C30	C29	C31	120.2°	120.2°
C30	C29	CL32	119.4°	119.9°
C29	C30	H30	119.8°	119.9°
C31	C29	CL32	120.4°	119.8°
C29	C31	H31	120.0°	119.9°
C34	C37	C38	111.1°	109.4°
C37	C34	H34	109.4°	109.4°
C37	C34	H34A	109.4°	109.5°
C34	C37	H37	109.0°	109.4°
C34	C37	H37A	109.0°	109.4°
C35	C36	C38	112.0°	109.5°
C36	C35	H35	109.2°	109.5°
C36	C35	H35A	109.2°	109.5°
C35	C36	H36	108.6°	109.4°
C35	C36	H36A	108.6°	109.5°
C36	C38	C37	112.7°	109.5°
C38	C36	H36	108.7°	109.5°
C38	C36	H36A	108.7°	109.5°
C36	C38	H38	108.4°	109.5°
C36	C38	H38A	108.4°	109.5°
C38	C37	H37	108.9°	109.5°
C38	C37	H37A	108.9°	109.5°
C37	C38	H38	108.4°	109.5°
C37	C38	H38A	108.4°	109.5°
H33	C33	H33A	109.5°	109.5°
H33	C33	H33B	109.5°	109.5°
H33A	C33	H33B	109.5°	109.4°
H34	C34	H34A	109.5°	109.4°
H35	C35	H35A	109.8°	109.5°
H36	C36	H36A	110.3°	109.4°
H37	C37	H37A	110.0°	109.5°
H38	C38	H38A	110.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C4	C7	177.8°	179.7°
N1	C2	N3	C14	180.0°	179.9°
N1	C2	N3	C5	1.4°	0.0°
C2	N1	C4	C5	0.6°	0.0°
C2	N1	C4	C8	178.6°	179.9°
C2	N1	C7	C6	125.0°	67.3°
C2	N1	C7	C23	92.8°	172.7°
N1	C2	C14	C24	107.9°	146.8°
N1	C2	C14	C25	68.3°	33.4°
C2	N1	C7	H7	14.6°	52.7°
C4	N1	C2	N3	1.2°	0.0°
C4	N1	C2	C14	178.8°	180.0°
N1	C4	C5	N3	0.2°	0.0°
N1	C4	C5	C8	179.3°	180.0°
N1	C4	C5	C10	179.7°	180.0°
C4	N1	C7	C6	52.5°	112.3°
C4	N1	C7	C23	89.8°	7.7°
N1	C4	C8	C11	179.3°	180.0°
C4	N1	C7	H7	162.8°	127.7°
N1	C4	C8	H8	0.7°	0.0°
C7	N1	C2	N3	179.1°	179.8°
C7	N1	C2	C14	0.9°	0.3°
C7	N1	C4	C5	178.4°	179.7°
C7	N1	C4	C8	0.8°	0.2°
N1	C7	C6	C23	139.4°	120.0°
N1	C7	C6	H7	116.4°	120.0°
N1	C7	C6	N9	39.1°	148.9°
N1	C7	C6	O19	140.0°	31.1°
N1	C7	C23	H7	115.4°	120.0°
N1	C7	C23	C34	2.9°	176.2°
N1	C7	C23	C35	137.2°	63.8°
N1	C7	C23	H23	111.1°	56.2°
C2	N3	C5	C4	1.0°	0.0°
C2	N3	C5	C10	179.6°	180.0°
N3	C2	C14	C24	72.1°	33.2°
N3	C2	C14	C25	111.7°	146.5°
C14	C2	N3	C5	178.6°	180.0°
C2	C14	C24	C25	176.2°	179.7°
C2	C14	C24	C30	178.8°	179.9°
C2	C14	C25	C31	177.6°	180.0°
C2	C14	C24	H24	1.1°	0.1°
C2	C14	C25	H25	2.4°	0.1°
N3	C5	C4	C10	179.5°	180.0°
N3	C5	C4	C8	179.6°	180.0°
N3	C5	C10	C15	179.7°	179.9°
N3	C5	C10	H10	0.3°	0.0°
C5	C4	C8	C11	1.6°	0.0°
C4	C5	C10	C15	0.4°	0.1°
C5	C4	C8	H8	178.4°	180.0°
C4	C5	C10	H10	179.6°	179.9°
C8	C4	C5	C10	1.0°	0.0°
C4	C8	C11	H8	180.0°	180.0°
C4	C8	C11	C15	1.6°	0.1°
C4	C8	C11	F26	177.9°	180.0°
C5	C10	C15	H10	180.0°	179.9°
C5	C10	C15	C11	0.5°	0.2°
C5	C10	C15	F27	179.8°	179.9°
C7	C6	N9	O19	179.1°	180.0°
C6	C7	C23	H7	106.1°	120.0°
C7	C6	N9	C12	179.6°	176.9°
C6	C7	C23	C34	135.6°	56.2°
C6	C7	C23	C35	1.3°	176.2°
C7	C6	N9	HN9	0.4°	3.1°
C6	C7	C23	H23	110.4°	63.9°
N9	C6	C7	C23	178.5°	91.1°
C6	N9	C12	HN9	180.0°	180.0°
C6	N9	C12	C18	79.9°	149.9°
C6	N9	C12	C21	101.8°	29.9°
N9	C6	C7	H7	77.3°	28.9°
O19	C6	C7	C23	0.6°	88.9°
O19	C6	N9	C12	1.3°	3.1°
O19	C6	C7	H7	103.6°	151.1°
O19	C6	N9	HN9	178.7°	176.9°
C7	C23	C34	C35	136.6°	120.0°
C7	C23	C34	H23	110.0°	120.0°
C7	C23	C35	H23	109.3°	120.0°
C7	C23	C34	C37	164.5°	180.0°
C7	C23	C35	C36	166.8°	180.0°
C7	C23	C34	H34	44.5°	60.0°
C7	C23	C34	H34A	75.5°	60.0°
C7	C23	C35	H35	73.1°	60.0°
C7	C23	C35	H35A	46.9°	60.0°
C8	C11	C15	C10	1.1°	0.2°
C8	C11	C15	F26	179.5°	179.9°
C8	C11	C15	F27	179.1°	179.9°
N9	C12	C18	C21	178.2°	179.8°
N9	C12	C18	C17	179.4°	180.0°
N9	C12	C18	C33	2.0°	0.0°
N9	C12	C21	C22	179.7°	179.9°
N9	C12	C21	H21	0.3°	0.0°
C10	C15	C11	F27	179.8°	179.9°
C10	C15	C11	F26	178.4°	179.9°
C15	C11	C8	H8	178.4°	179.9°
C11	C15	C10	H10	179.6°	179.9°
F26	C11	C15	F27	1.4°	0.0°
F26	C11	C8	H8	2.1°	0.0°
C12	C18	C17	C16	2.4°	0.0°
C12	C18	C17	C33	177.5°	180.0°
C18	C12	C21	C22	1.4°	0.2°
C18	C12	N9	HN9	100.1°	30.2°
C12	C18	C17	H17	177.6°	180.0°
C18	C12	C21	H21	178.5°	179.7°
C12	C18	C33	H33	88.7°	90.0°
C12	C18	C33	H33A	151.3°	150.0°
C12	C18	C33	H33B	31.3°	30.0°
C12	C21	C22	C16	0.4°	0.1°
C21	C12	C18	C17	2.4°	0.2°
C21	C12	C18	C33	179.9°	179.8°
C12	C21	C22	H21	180.0°	179.9°
C21	C12	N9	HN9	78.1°	150.1°
C12	C21	C22	H22	179.7°	179.8°
C16	C13	O20	O28	179.9°	180.0°
C13	C16	C17	C22	179.6°	179.7°
C13	C16	C17	C18	178.3°	180.0°
C13	C16	C22	C21	179.3°	180.0°
C13	C16	C17	H17	1.7°	0.0°
C13	C16	C22	H22	0.7°	0.3°
C16	C13	O28	H28	179.9°	180.0°
O20	C13	C16	C17	171.2°	0.0°
O20	C13	C16	C22	8.4°	179.7°
O20	C13	O28	H28	0.0°	0.0°
O28	C13	C16	C17	8.9°	180.0°
O28	C13	C16	C22	171.5°	0.3°
C14	C24	C30	H24	180.0°	179.9°
C24	C14	C25	C31	1.4°	0.2°
C14	C24	C30	C29	1.7°	0.1°
C24	C14	C25	H25	178.6°	179.8°
C14	C24	C30	H30	178.3°	180.0°
C25	C14	C24	C30	2.6°	0.2°
C14	C25	C31	H25	180.0°	180.0°
C14	C25	C31	C29	0.8°	0.0°
C25	C14	C24	H24	177.4°	179.7°
C14	C25	C31	H31	179.2°	180.0°
F27	C15	C10	H10	0.2°	0.0°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	C33	179.8°	180.0°
C17	C16	C22	C21	0.3°	0.4°
C17	C16	C22	H22	179.7°	180.0°
C22	C16	C17	C18	1.3°	0.3°
C16	C22	C21	H22	180.0°	179.7°
C22	C16	C17	H17	178.7°	179.7°
C16	C22	C21	H21	179.6°	180.0°
C17	C18	C33	H33	88.8°	90.0°
C17	C18	C33	H33A	31.2°	30.0°
C17	C18	C33	H33B	151.2°	150.0°
C33	C18	C17	H17	0.2°	0.0°
C18	C33	H33	H33A	120.0°	120.0°
C18	C33	H33	H33B	120.0°	120.0°
C18	C33	H33A	H33B	120.0°	120.0°
C34	C23	C35	H23	115.0°	119.9°
C23	C34	C37	H34	120.0°	120.0°
C23	C34	C37	H34A	120.0°	120.0°
C34	C23	C35	C36	57.5°	60.0°
C23	C34	C37	C38	56.0°	60.0°
C34	C23	C7	H7	118.3°	63.8°
C23	C34	H34	H34A	119.9°	120.0°
C34	C23	C35	H35	62.6°	60.1°
C34	C23	C35	H35A	177.4°	180.0°
C23	C34	C37	H37	64.0°	60.0°
C23	C34	C37	H37A	176.0°	180.0°
C35	C23	C34	C37	58.8°	60.0°
C23	C35	C36	H35	120.0°	120.0°
C23	C35	C36	H35A	120.0°	120.0°
C23	C35	C36	C38	53.3°	60.0°
C35	C23	C7	H7	107.4°	56.2°
C35	C23	C34	H34	178.9°	180.0°
C35	C23	C34	H34A	61.2°	60.1°
C23	C35	H35	H35A	119.6°	119.9°
C23	C35	C36	H36	173.3°	180.0°
C23	C35	C36	H36A	66.7°	60.0°
C24	C30	C29	H30	180.0°	179.9°
C24	C30	C29	C31	0.5°	0.3°
C24	C30	C29	CL32	179.3°	179.9°
C25	C31	C29	C30	1.7°	0.2°
C25	C31	C29	H31	180.0°	179.9°
C25	C31	C29	CL32	179.5°	180.0°
C30	C29	C31	CL32	178.8°	179.8°
C29	C30	C24	H24	178.3°	179.9°
C30	C29	C31	H31	178.3°	179.7°
C29	C31	C25	H25	179.2°	180.0°
C31	C29	C30	H30	179.5°	179.8°
CL32	C29	C30	H30	0.7°	0.0°
CL32	C29	C31	H31	0.5°	0.1°
C34	C37	C38	C36	53.5°	60.0°
C34	C37	C38	H37	120.0°	120.0°
C34	C37	C38	H37A	120.0°	120.0°
C37	C34	C23	H23	54.6°	59.9°
C37	C34	H34	H34A	119.9°	120.0°
C34	C37	H37	H37A	119.4°	120.0°
C34	C37	C38	H38	66.5°	60.0°
C34	C37	C38	H38A	173.5°	180.0°
C35	C36	C38	H36	120.0°	120.0°
C35	C36	C38	H36A	120.0°	120.0°
C35	C36	C38	C37	52.2°	60.0°
C36	C35	C23	H23	57.5°	60.0°
C36	C35	H35	H35A	119.6°	120.1°
C35	C36	H36	H36A	118.9°	120.0°
C35	C36	C38	H38	67.8°	60.0°
C35	C36	C38	H38A	172.2°	180.0°
C36	C38	C37	H38	120.0°	120.0°
C36	C38	C37	H38A	120.0°	120.0°
C38	C36	C35	H35	66.7°	60.0°
C38	C36	C35	H35A	173.3°	180.0°
C38	C36	H36	H36A	119.0°	120.0°
C36	C38	C37	H37	66.5°	60.0°
C36	C38	C37	H37A	173.6°	180.0°
C36	C38	H38	H38A	118.7°	120.0°
C38	C37	C34	H34	176.0°	180.0°
C38	C37	C34	H34A	64.0°	60.0°
C37	C38	C36	H36	172.2°	180.0°
C37	C38	C36	H36A	67.8°	60.0°
C38	C37	H37	H37A	119.3°	120.1°
C37	C38	H38	H38A	118.7°	120.0°
H7	C7	C23	H23	4.3°	176.2°
H21	C21	C22	H22	0.3°	0.3°
H23	C23	C34	H34	65.5°	60.0°
H23	C23	C34	H34A	174.6°	180.0°
H23	C23	C35	H35	177.6°	180.0°
H23	C23	C35	H35A	62.4°	60.0°
H24	C24	C30	H30	1.7°	0.1°
H25	C25	C31	H31	0.8°	0.1°
H33	C33	H33A	H33B	120.0°	120.0°
H34	C34	C37	H37	56.1°	60.0°
H34	C34	C37	H37A	64.0°	60.0°
H34A	C34	C37	H37	176.0°	180.0°
H34A	C34	C37	H37A	56.0°	60.0°
H35	C35	C36	H36	53.3°	60.0°
H35	C35	C36	H36A	173.3°	180.0°
H35A	C35	C36	H36	66.7°	60.0°
H35A	C35	C36	H36A	53.3°	60.0°
H36	C36	C38	H38	52.2°	60.0°
H36	C36	C38	H38A	67.8°	60.0°
H36A	C36	C38	H38	172.2°	180.0°
H36A	C36	C38	H38A	52.2°	60.0°
H37	C37	C38	H38	173.5°	180.0°
H37	C37	C38	H38A	53.5°	60.0°
H37A	C37	C38	H38	53.5°	60.0°
H37A	C37	C38	H38A	66.4°	60.0°

Definition date:	2010-09-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3OLF