9LA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O15	C12	doub	1.21Å	1.30Å
C21	C28	doub	1.38Å	1.39Å	Aromatic
C21	C14	sing	1.40Å	1.40Å	Aromatic
C12	C14	sing	1.47Å	1.49Å
C12	O25	sing	1.35Å	1.22Å
C28	C24	sing	1.39Å	1.39Å	Aromatic
C14	C20	doub	1.40Å	1.39Å	Aromatic
C30	C18	doub	1.38Å	1.39Å	Aromatic
C30	C26	sing	1.38Å	1.38Å	Aromatic
C18	C10	sing	1.40Å	1.40Å	Aromatic
N3	C5	sing	1.36Å	1.40Å	Aromatic
N3	C2	doub	1.31Å	1.32Å	Aromatic
CL31	C26	sing	1.74Å	1.75Å
C8	C5	doub	1.40Å	1.40Å	Aromatic
C8	C11	sing	1.38Å	1.38Å	Aromatic
C26	C29	doub	1.39Å	1.38Å	Aromatic
C24	O16	sing	1.36Å	1.38Å
C24	C27	doub	1.39Å	1.39Å	Aromatic
F23	C11	sing	1.35Å	1.34Å
C5	C4	sing	1.41Å	1.40Å	Aromatic
C10	C2	sing	1.48Å	1.48Å
C10	C19	doub	1.40Å	1.39Å	Aromatic
C20	C27	sing	1.38Å	1.39Å	Aromatic
C2	N1	sing	1.37Å	1.38Å	Aromatic
C11	C9	doub	1.39Å	1.38Å	Aromatic
O16	C13	sing	1.43Å	1.45Å
C29	C19	sing	1.38Å	1.39Å	Aromatic
C4	N1	sing	1.38Å	1.41Å	Aromatic
C4	C6	doub	1.39Å	1.39Å	Aromatic
N1	C7	sing	1.47Å	1.49Å
C9	C6	sing	1.38Å	1.37Å	Aromatic
C9	F22	sing	1.35Å	1.38Å
C13	C7	sing	1.53Å	1.53Å
C7	C17	sing	1.53Å	1.53Å
C17	C33	sing	1.53Å	1.53Å
C17	C32	sing	1.53Å	1.53Å
C33	C35	sing	1.53Å	1.54Å
C32	C34	sing	1.53Å	1.53Å
C35	C36	sing	1.53Å	1.53Å
C34	C36	sing	1.53Å	1.52Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C20	H7	sing	1.08Å	1.08Å
C21	H8	sing	1.08Å	1.08Å
C28	H9	sing	1.08Å	1.08Å
C27	H10	sing	1.08Å	1.08Å
O25	H11	sing	0.97Å	0.95Å
C32	H12	sing	1.09Å	1.10Å
C32	H13	sing	1.09Å	1.10Å
C34	H14	sing	1.09Å	1.10Å
C34	H15	sing	1.09Å	1.10Å
C36	H16	sing	1.09Å	1.10Å
C36	H17	sing	1.09Å	1.10Å
C35	H18	sing	1.09Å	1.10Å
C35	H19	sing	1.09Å	1.10Å
C33	H20	sing	1.09Å	1.10Å
C33	H21	sing	1.09Å	1.10Å
C18	H22	sing	1.08Å	1.08Å
C30	H23	sing	1.08Å	1.08Å
C29	H24	sing	1.08Å	1.08Å
C19	H25	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O15	C12	C14	115.2°	120.0°
O15	C12	O25	122.2°	120.0°
C28	C21	C14	120.9°	119.9°
C21	C28	C24	119.8°	120.1°
C28	C21	H8	119.5°	120.0°
C21	C28	H9	120.1°	120.0°
C21	C14	C12	120.8°	120.1°
C21	C14	C20	118.5°	119.8°
C14	C21	H8	119.5°	120.0°
C14	C12	O25	122.6°	120.0°
C12	C14	C20	120.7°	120.1°
C12	O25	H11	109.5°	117.0°
C28	C24	O16	118.3°	119.9°
C28	C24	C27	119.8°	120.2°
C24	C28	H9	120.1°	120.0°
C14	C20	C27	120.9°	119.9°
C14	C20	H7	119.6°	120.0°
C18	C30	C26	119.0°	120.1°
C30	C18	C10	121.0°	119.9°
C30	C18	H22	119.5°	120.0°
C18	C30	H23	120.5°	119.9°
C30	C26	CL31	119.4°	119.9°
C30	C26	C29	121.3°	120.2°
C26	C30	H23	120.5°	120.0°
C18	C10	C2	120.2°	120.1°
C18	C10	C19	118.6°	119.8°
C10	C18	H22	119.5°	120.1°
C5	N3	C2	105.3°	109.7°
N3	C5	C8	130.6°	133.3°
N3	C5	C4	110.1°	107.2°
N3	C2	C10	124.4°	125.2°
N3	C2	N1	113.0°	109.8°
CL31	C26	C29	119.3°	119.9°
C5	C8	C11	117.4°	119.8°
C8	C5	C4	119.4°	119.5°
C5	C8	H3	121.3°	120.1°
C8	C11	F23	119.4°	119.7°
C8	C11	C9	122.1°	120.5°
C11	C8	H3	121.3°	120.1°
C26	C29	C19	119.3°	120.1°
C26	C29	H24	120.4°	119.9°
O16	C24	C27	121.9°	119.9°
C24	O16	C13	118.7°	116.9°
C24	C27	C20	120.0°	120.1°
C24	C27	H10	120.0°	119.9°
F23	C11	C9	118.5°	119.8°
C5	C4	N1	105.5°	106.2°
C5	C4	C6	122.9°	120.0°
C2	C10	C19	121.2°	120.1°
C10	C2	N1	122.6°	125.1°
C10	C19	C29	120.8°	119.8°
C10	C19	H25	119.6°	120.1°
C27	C20	H7	119.5°	120.1°
C20	C27	H10	120.0°	120.0°
C2	N1	C4	106.2°	107.2°
C2	N1	C7	125.0°	126.4°
C11	C9	C6	121.7°	120.4°
C11	C9	F22	119.1°	119.8°
O16	C13	C7	106.3°	109.4°
O16	C13	H4	110.3°	109.5°
O16	C13	H5	110.3°	109.4°
C19	C29	H24	120.3°	119.9°
C29	C19	H25	119.6°	120.0°
N1	C4	C6	131.6°	133.8°
C4	N1	C7	128.8°	126.4°
C4	C6	C9	116.6°	119.9°
C4	C6	H1	121.7°	120.0°
N1	C7	C13	110.2°	109.5°
N1	C7	C17	112.4°	109.4°
N1	C7	H2	106.7°	109.4°
C6	C9	F22	119.2°	119.8°
C9	C6	H1	121.7°	120.1°
C13	C7	C17	114.3°	109.5°
C13	C7	H2	106.3°	109.5°
C7	C13	H4	110.3°	109.5°
C7	C13	H5	110.2°	109.5°
C7	C17	C33	111.9°	109.5°
C7	C17	C32	112.3°	109.5°
C17	C7	H2	106.3°	109.5°
C7	C17	H6	107.7°	109.5°
C33	C17	C32	109.4°	109.4°
C17	C33	C35	112.3°	109.5°
C33	C17	H6	107.7°	109.5°
C17	C33	H20	108.8°	109.5°
C17	C33	H21	108.8°	109.4°
C17	C32	C34	111.8°	109.5°
C32	C17	H6	107.7°	109.5°
C17	C32	H12	108.9°	109.4°
C17	C32	H13	108.9°	109.5°
C33	C35	C36	111.5°	109.5°
C33	C35	H18	108.9°	109.4°
C33	C35	H19	108.9°	109.4°
C35	C33	H20	108.8°	109.5°
C35	C33	H21	108.8°	109.5°
C32	C34	C36	111.6°	109.4°
C34	C32	H12	108.9°	109.5°
C34	C32	H13	108.9°	109.5°
C32	C34	H14	108.9°	109.5°
C32	C34	H15	108.9°	109.5°
C35	C36	C34	111.2°	109.5°
C35	C36	H16	109.0°	109.5°
C35	C36	H17	109.0°	109.5°
C36	C35	H18	109.0°	109.5°
C36	C35	H19	109.0°	109.5°
C36	C34	H14	108.9°	109.5°
C36	C34	H15	108.9°	109.5°
C34	C36	H16	109.0°	109.4°
C34	C36	H17	109.0°	109.5°
H4	C13	H5	109.5°	109.5°
H12	C32	H13	109.5°	109.5°
H14	C34	H15	109.5°	109.5°
H16	C36	H17	109.5°	109.4°
H18	C35	H19	109.5°	109.4°
H20	C33	H21	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O15	C12	C14	C21	14.7°	0.0°
O15	C12	C14	O25	180.0°	179.9°
O15	C12	C14	C20	165.4°	179.9°
O15	C12	O25	H11	0.0°	0.1°
C28	C21	C14	H8	180.0°	179.8°
C28	C21	C14	C12	179.9°	180.0°
C21	C28	C24	H9	180.0°	179.8°
C28	C21	C14	C20	0.2°	0.0°
C21	C28	C24	O16	179.8°	180.0°
C21	C28	C24	C27	0.2°	0.5°
C21	C14	C12	C20	180.0°	180.0°
C21	C14	C12	O25	165.3°	180.0°
C14	C21	C28	C24	0.2°	0.3°
C21	C14	C20	C27	0.1°	0.0°
C21	C14	C20	H7	179.8°	179.7°
C14	C21	C28	H9	179.8°	180.0°
C12	C14	C20	C27	179.9°	180.0°
C12	C14	C20	H7	0.1°	0.2°
C12	C14	C21	H8	0.1°	0.2°
C14	C12	O25	H11	180.0°	180.0°
O25	C12	C14	C20	14.7°	0.0°
C28	C24	O16	C27	180.0°	179.4°
C28	C24	C27	C20	0.2°	0.5°
C28	C24	O16	C13	169.2°	0.6°
C24	C28	C21	H8	179.8°	180.0°
C28	C24	C27	H10	179.8°	179.5°
C14	C20	C27	C24	0.1°	0.2°
C14	C20	C27	H7	180.0°	179.7°
C20	C14	C21	H8	179.9°	179.7°
C14	C20	C27	H10	179.9°	179.8°
C18	C30	C26	H23	180.0°	180.0°
C30	C18	C10	H22	180.0°	179.9°
C18	C30	C26	CL31	179.9°	180.0°
C18	C30	C26	C29	0.2°	0.2°
C30	C18	C10	C2	179.4°	180.0°
C30	C18	C10	C19	0.5°	0.3°
C26	C30	C18	C10	0.1°	0.1°
C30	C26	CL31	C29	179.8°	179.8°
C30	C26	C29	C19	0.1°	0.2°
C26	C30	C18	H22	179.9°	179.9°
C30	C26	C29	H24	179.9°	180.0°
C18	C10	C2	N3	98.3°	144.4°
C18	C10	C2	C19	178.8°	179.6°
C18	C10	C2	N1	81.7°	36.2°
C18	C10	C19	C29	0.6°	0.3°
C10	C18	C30	H23	179.9°	180.0°
C18	C10	C19	H25	179.4°	179.7°
N3	C5	C8	C4	179.8°	179.7°
N3	C5	C8	C11	179.8°	179.9°
C5	N3	C2	C10	179.7°	180.0°
C5	N3	C2	N1	0.3°	0.5°
N3	C5	C4	N1	0.0°	0.0°
N3	C5	C4	C6	179.8°	179.9°
N3	C5	C8	H3	0.2°	0.0°
C2	N3	C5	C8	180.0°	180.0°
C2	N3	C5	C4	0.2°	0.3°
N3	C2	C10	N1	180.0°	179.4°
N3	C2	C10	C19	82.8°	35.2°
N3	C2	N1	C4	0.3°	0.5°
N3	C2	N1	C7	179.8°	179.9°
CL31	C26	C29	C19	179.8°	180.0°
CL31	C26	C30	H23	0.1°	0.0°
CL31	C26	C29	H24	0.2°	0.2°
C5	C8	C11	H3	180.0°	179.9°
C5	C8	C11	F23	179.9°	180.0°
C5	C8	C11	C9	0.1°	0.1°
C8	C5	C4	N1	179.9°	179.8°
C8	C5	C4	C6	0.0°	0.2°
C8	C11	F23	C9	179.9°	179.9°
C11	C8	C5	C4	0.0°	0.3°
C8	C11	C9	C6	0.1°	0.1°
C8	C11	C9	F22	179.8°	179.9°
C26	C29	C19	C10	0.3°	0.0°
C26	C29	C19	H24	180.0°	179.8°
C29	C26	C30	H23	179.8°	179.8°
C26	C29	C19	H25	179.7°	180.0°
O16	C24	C27	C20	179.8°	179.9°
C24	O16	C13	C7	176.0°	180.0°
C24	O16	C13	H4	56.5°	59.9°
C24	O16	C13	H5	64.5°	60.1°
O16	C24	C28	H9	0.2°	0.3°
O16	C24	C27	H10	0.2°	0.1°
C24	C27	C20	H10	180.0°	180.0°
C27	C24	O16	C13	10.8°	180.0°
C24	C27	C20	H7	179.8°	180.0°
C27	C24	C28	H9	179.8°	179.7°
F23	C11	C9	C6	180.0°	179.8°
F23	C11	C9	F22	0.3°	0.0°
F23	C11	C8	H3	0.1°	0.1°
C5	C4	N1	C2	0.2°	0.3°
C5	C4	N1	C6	179.8°	179.9°
C5	C4	N1	C7	179.6°	179.9°
C5	C4	C6	C9	0.0°	0.0°
C5	C4	C6	H1	180.0°	179.9°
C4	C5	C8	H3	180.0°	179.7°
C2	C10	C19	C29	179.5°	180.0°
C10	C2	N1	C4	179.7°	180.0°
C10	C2	N1	C7	0.2°	0.4°
C2	C10	C18	H22	0.7°	0.1°
C2	C10	C19	H25	0.6°	0.0°
C19	C10	C2	N1	97.1°	144.2°
C10	C19	C29	H25	180.0°	180.0°
C19	C10	C18	H22	179.5°	179.8°
C10	C19	C29	H24	179.7°	179.8°
C2	N1	C4	C7	179.4°	179.6°
C2	N1	C4	C6	180.0°	179.8°
C2	N1	C7	C13	116.9°	163.0°
C2	N1	C7	C17	114.3°	77.0°
C2	N1	C7	H2	1.8°	43.0°
C11	C9	C6	C4	0.1°	0.2°
C11	C9	C6	F22	179.7°	179.8°
C11	C9	C6	H1	179.9°	179.9°
C9	C11	C8	H3	180.0°	179.8°
O16	C13	C7	N1	34.4°	171.8°
O16	C13	C7	H4	119.5°	120.1°
O16	C13	C7	H5	119.5°	119.9°
O16	C13	C7	C17	162.1°	68.3°
O16	C13	C7	H2	81.0°	51.8°
O16	C13	H4	H5	121.5°	120.0°
N1	C4	C6	C9	179.8°	180.0°
C4	N1	C7	C13	62.5°	16.5°
C4	N1	C7	C17	66.3°	103.4°
N1	C4	C6	H1	0.2°	0.1°
C4	N1	C7	H2	177.5°	136.6°
C6	C4	N1	C7	0.6°	0.1°
C4	C6	C9	H1	180.0°	179.9°
C4	C6	C9	F22	179.8°	180.0°
N1	C7	C13	C17	127.7°	119.9°
N1	C7	C13	H2	115.3°	120.0°
N1	C7	C17	H2	116.4°	120.0°
N1	C7	C17	C33	57.8°	174.8°
N1	C7	C17	C32	178.6°	65.3°
N1	C7	C13	H4	85.2°	68.2°
N1	C7	C13	H5	153.9°	51.9°
N1	C7	C17	H6	60.3°	54.8°
F22	C9	C6	H1	0.2°	0.1°
C13	C7	C17	H2	117.0°	120.1°
C13	C7	C17	C33	175.6°	65.3°
C13	C7	C17	C32	52.0°	54.7°
C7	C13	H4	H5	121.4°	120.0°
C13	C7	C17	H6	66.3°	174.7°
C7	C17	C33	C32	125.1°	120.0°
C7	C17	C33	H6	118.1°	120.0°
C7	C17	C32	H6	118.3°	120.0°
C7	C17	C33	C35	179.5°	180.0°
C7	C17	C32	C34	179.0°	180.0°
C17	C7	C13	H4	42.5°	51.8°
C17	C7	C13	H5	78.4°	171.8°
C7	C17	C32	H12	58.6°	60.0°
C7	C17	C32	H13	60.7°	60.0°
C7	C17	C33	H20	60.0°	60.0°
C7	C17	C33	H21	59.1°	60.0°
C33	C17	C32	H6	116.8°	120.0°
C17	C33	C35	H20	120.4°	120.0°
C17	C33	C35	H21	120.4°	120.0°
C33	C17	C32	C34	56.1°	60.0°
C17	C33	C35	C36	54.8°	60.0°
C33	C17	C7	H2	58.6°	54.8°
C33	C17	C32	H12	176.5°	180.0°
C33	C17	C32	H13	64.2°	60.0°
C17	C33	C35	H18	175.1°	60.0°
C17	C33	C35	H19	65.6°	180.0°
C17	C33	H20	H21	118.7°	120.0°
C32	C17	C33	C35	55.3°	60.0°
C17	C32	C34	H12	120.4°	119.9°
C17	C32	C34	H13	120.3°	120.0°
C17	C32	C34	C36	56.7°	60.0°
C32	C17	C7	H2	65.0°	174.8°
C17	C32	H12	H13	118.9°	120.0°
C17	C32	C34	H14	63.6°	60.0°
C17	C32	C34	H15	177.0°	180.0°
C32	C17	C33	H20	65.1°	60.0°
C32	C17	C33	H21	175.8°	180.0°
C33	C35	C36	H18	120.3°	120.0°
C33	C35	C36	H19	120.3°	120.0°
C33	C35	C36	C34	53.6°	60.0°
C35	C33	C17	H6	61.4°	60.0°
C33	C35	C36	H16	66.7°	180.0°
C33	C35	C36	H17	173.8°	60.0°
C33	C35	H18	H19	119.0°	119.9°
C35	C33	H20	H21	118.7°	120.0°
C32	C34	C36	C35	54.7°	60.0°
C32	C34	C36	H14	120.3°	120.0°
C32	C34	C36	H15	120.3°	120.0°
C34	C32	C17	H6	60.6°	59.9°
C34	C32	H12	H13	118.9°	120.1°
C32	C34	H14	H15	119.0°	120.0°
C32	C34	C36	H16	65.6°	180.0°
C32	C34	C36	H17	174.9°	60.0°
C35	C36	C34	H16	120.3°	120.0°
C35	C36	C34	H17	120.3°	120.1°
C35	C36	C34	H14	65.6°	60.0°
C35	C36	C34	H15	175.0°	180.0°
C35	C36	H16	H17	119.2°	120.0°
C36	C35	H18	H19	119.1°	120.1°
C36	C35	C33	H20	65.7°	60.0°
C36	C35	C33	H21	175.2°	180.0°
C36	C34	C32	H12	177.1°	180.0°
C36	C34	C32	H13	63.6°	60.0°
C36	C34	H14	H15	119.0°	120.0°
C34	C36	H16	H17	119.2°	120.0°
C34	C36	C35	H18	173.9°	60.0°
C34	C36	C35	H19	66.7°	180.0°
H2	C7	C13	H4	159.5°	171.9°
H2	C7	C13	H5	38.5°	68.1°
H2	C7	C17	H6	176.7°	65.2°
H6	C17	C32	H12	59.8°	60.0°
H6	C17	C32	H13	179.0°	180.0°
H6	C17	C33	H20	178.2°	180.0°
H6	C17	C33	H21	59.0°	60.0°
H7	C20	C27	H10	0.2°	0.1°
H8	C21	C28	H9	0.2°	0.2°
H12	C32	C34	H14	56.8°	60.0°
H12	C32	C34	H15	62.6°	60.1°
H13	C32	C34	H14	176.1°	180.0°
H13	C32	C34	H15	56.7°	60.0°
H14	C34	C36	H16	174.1°	60.0°
H14	C34	C36	H17	54.6°	179.9°
H15	C34	C36	H16	54.7°	60.0°
H15	C34	C36	H17	64.8°	60.0°
H16	C36	C35	H18	53.6°	60.0°
H16	C36	C35	H19	173.0°	60.0°
H17	C36	C35	H18	65.8°	180.0°
H17	C36	C35	H19	53.6°	60.0°
H18	C35	C33	H20	54.7°	180.0°
H18	C35	C33	H21	64.5°	60.0°
H19	C35	C33	H20	174.0°	60.0°
H19	C35	C33	H21	54.9°	60.0°
H22	C18	C30	H23	0.1°	0.1°
H24	C29	C19	H25	0.3°	0.2°

Release date:	2017-07-05
Definition date:	2017-05-19
Last modified:	2017-06-30
Release status:	REL
Processing site:	RCSB
Derived from:	5Q0P