YJ6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C19	doub	0.00Å	1.23Å
C14	C15	doub	0.00Å	1.39Å	Aromatic
C14	C13	sing	0.00Å	1.39Å	Aromatic
C15	C16	sing	0.00Å	1.37Å	Aromatic
C19	N3	sing	0.00Å	1.35Å
C19	N2	sing	0.00Å	1.39Å
N1	C6	sing	0.00Å	1.46Å
N1	C7	sing	0.00Å	1.34Å
C6	C5	sing	0.00Å	1.52Å
N3	C20	sing	0.00Å	1.46Å
N3	C39	sing	0.00Å	1.46Å
N2	C13	sing	0.00Å	1.44Å
N2	C12	sing	0.00Å	1.47Å
C13	C18	doub	0.00Å	1.40Å	Aromatic
C16	F2	sing	0.00Å	1.36Å
C16	C17	doub	0.00Å	1.37Å	Aromatic
C20	C21	sing	0.00Å	1.51Å
C39	C38	sing	0.00Å	1.51Å
C7	C8	sing	0.00Å	1.47Å
C7	O3	doub	0.00Å	1.23Å
C8	O2	sing	0.00Å	1.37Å	Aromatic
C8	C9	doub	0.00Å	1.35Å	Aromatic
O2	C11	sing	0.00Å	1.37Å	Aromatic
C21	N4	sing	0.00Å	1.52Å
C11	C12	sing	0.00Å	1.49Å
C11	C10	doub	0.00Å	1.34Å	Aromatic
C9	C10	sing	0.00Å	1.42Å	Aromatic
C5	C4	sing	0.00Å	1.52Å
C18	C17	sing	0.00Å	1.39Å	Aromatic
C38	N4	sing	0.00Å	1.53Å
C22	N4	sing	0.00Å	1.53Å
C22	C23	sing	0.00Å	1.53Å
N4	C31	sing	0.00Å	1.54Å
C34	C33	doub	0.00Å	1.38Å	Aromatic
C34	C35	sing	0.00Å	1.38Å	Aromatic
C33	C32	sing	0.00Å	1.39Å	Aromatic
C4	C40	doub	0.00Å	1.39Å	Aromatic
C4	C3	sing	0.00Å	1.40Å	Aromatic
C23	C24	sing	0.00Å	1.54Å
CL1	C35	sing	0.00Å	1.73Å
C40	C41	sing	0.00Å	1.39Å	Aromatic
C35	C36	doub	0.00Å	1.39Å	Aromatic
C32	C31	sing	0.00Å	1.51Å
C32	C37	doub	0.00Å	1.39Å	Aromatic
C3	C2	doub	0.00Å	1.39Å	Aromatic
C36	C37	sing	0.00Å	1.39Å	Aromatic
C36	CL2	sing	0.00Å	1.74Å
C41	C1	doub	0.00Å	1.37Å	Aromatic
C26	C27	doub	0.00Å	1.39Å	Aromatic
C26	C25	sing	0.00Å	1.39Å	Aromatic
C24	C25	sing	0.00Å	1.52Å
C2	C1	sing	0.00Å	1.37Å	Aromatic
C27	C28	sing	0.00Å	1.38Å	Aromatic
C25	C30	doub	0.00Å	1.39Å	Aromatic
C1	F1	sing	0.00Å	1.36Å
C28	C29	doub	0.00Å	1.38Å	Aromatic
C30	C29	sing	0.00Å	1.39Å	Aromatic
C2	H1	sing	0.00Å	1.08Å
C3	H2	sing	0.00Å	1.08Å
C5	H3	sing	0.00Å	1.10Å
C5	H4	sing	0.00Å	1.10Å
C6	H5	sing	0.00Å	1.10Å
C6	H6	sing	0.00Å	1.10Å
N1	H7	sing	0.00Å	1.00Å
C9	H8	sing	0.00Å	1.08Å
C10	H9	sing	0.00Å	1.08Å
C12	H10	sing	0.00Å	1.10Å
C12	H11	sing	0.00Å	1.10Å
C14	H12	sing	0.00Å	1.08Å
C15	H13	sing	0.00Å	1.08Å
C17	H14	sing	0.00Å	1.08Å
C18	H15	sing	0.00Å	1.08Å
C20	H16	sing	0.00Å	1.10Å
C20	H17	sing	0.00Å	1.10Å
C21	H18	sing	0.00Å	1.10Å
C21	H19	sing	0.00Å	1.10Å
C22	H20	sing	0.00Å	1.10Å
C22	H21	sing	0.00Å	1.10Å
C23	H22	sing	0.00Å	1.10Å
C23	H23	sing	0.00Å	1.10Å
C24	H24	sing	0.00Å	1.10Å
C24	H25	sing	0.00Å	1.10Å
C26	H26	sing	0.00Å	1.08Å
C27	H27	sing	0.00Å	1.08Å
C28	H28	sing	0.00Å	1.08Å
C29	H29	sing	0.00Å	1.08Å
C30	H30	sing	0.00Å	1.08Å
C31	H31	sing	0.00Å	1.10Å
C31	H32	sing	0.00Å	1.10Å
C33	H33	sing	0.00Å	1.08Å
C34	H34	sing	0.00Å	1.08Å
C37	H35	sing	0.00Å	1.08Å
C38	H36	sing	0.00Å	1.10Å
C38	H37	sing	0.00Å	1.10Å
C39	H38	sing	0.00Å	1.10Å
C39	H39	sing	0.00Å	1.10Å
C40	H40	sing	0.00Å	1.08Å
C41	H41	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C19	N3	119.6°	90.0°
O1	C19	N2	120.3°	90.0°
C15	C14	C13	121.1°	90.0°
C14	C15	C16	118.7°	90.0°
C15	C14	H12	119.4°	90.0°
C14	C15	H13	120.7°	90.0°
C14	C13	N2	120.8°	90.0°
C14	C13	C18	118.2°	90.0°
C13	C14	H12	119.5°	90.0°
C15	C16	F2	118.6°	90.0°
C15	C16	C17	122.5°	90.0°
C16	C15	H13	120.7°	90.0°
N3	C19	N2	120.1°	90.0°
C19	N3	C20	124.4°	90.0°
C19	N3	C39	122.9°	90.0°
C19	N2	C13	119.0°	90.0°
C19	N2	C12	121.8°	90.0°
C6	N1	C7	121.3°	90.0°
N1	C6	C5	111.2°	90.0°
N1	C6	H5	109.1°	90.0°
N1	C6	H6	109.1°	90.0°
C6	N1	H7	119.4°	90.0°
N1	C7	C8	118.8°	90.0°
N1	C7	O3	120.7°	90.0°
C7	N1	H7	119.4°	90.0°
C6	C5	C4	116.1°	90.0°
C6	C5	H3	107.8°	90.0°
C6	C5	H4	107.8°	90.0°
C5	C6	H5	109.0°	90.0°
C5	C6	H6	109.0°	90.0°
C20	N3	C39	112.6°	90.0°
N3	C20	C21	110.9°	90.0°
N3	C20	H16	109.1°	90.0°
N3	C20	H17	109.1°	90.0°
N3	C39	C38	109.8°	90.0°
N3	C39	H38	109.4°	90.0°
N3	C39	H39	109.4°	90.0°
C13	N2	C12	119.0°	90.0°
N2	C13	C18	120.9°	90.0°
N2	C12	C11	118.2°	90.0°
N2	C12	H10	107.2°	90.0°
N2	C12	H11	107.2°	90.0°
C13	C18	C17	121.1°	90.0°
C13	C18	H15	119.5°	90.0°
F2	C16	C17	118.9°	90.0°
C16	C17	C18	118.5°	90.0°
C16	C17	H14	120.7°	90.0°
C20	C21	N4	111.5°	90.0°
C21	C20	H16	109.1°	90.0°
C21	C20	H17	109.1°	90.0°
C20	C21	H18	109.0°	90.0°
C20	C21	H19	109.0°	90.0°
C39	C38	N4	112.3°	90.0°
C39	C38	H36	108.8°	90.0°
C39	C38	H37	108.7°	90.0°
C38	C39	H38	109.4°	90.0°
C38	C39	H39	109.4°	90.0°
C8	C7	O3	120.4°	90.0°
C7	C8	O2	119.1°	90.0°
C7	C8	C9	132.0°	90.0°
O2	C8	C9	108.9°	90.0°
C8	O2	C11	107.6°	90.0°
C8	C9	C10	107.2°	90.0°
C8	C9	H8	126.4°	90.0°
O2	C11	C12	116.2°	90.0°
O2	C11	C10	108.9°	90.0°
C21	N4	C38	107.4°	90.0°
C21	N4	C22	106.5°	90.0°
C21	N4	C31	112.1°	90.0°
N4	C21	H18	109.0°	90.0°
N4	C21	H19	109.0°	90.0°
C12	C11	C10	134.8°	90.0°
C11	C12	H10	107.2°	90.0°
C11	C12	H11	107.2°	90.0°
C11	C10	C9	107.3°	90.0°
C11	C10	H9	126.3°	90.0°
C10	C9	H8	126.4°	90.0°
C9	C10	H9	126.3°	90.0°
C5	C4	C40	120.7°	90.0°
C5	C4	C3	121.8°	90.0°
C4	C5	H3	107.8°	90.0°
C4	C5	H4	107.8°	90.0°
C18	C17	H14	120.8°	90.0°
C17	C18	H15	119.5°	90.0°
C38	N4	C22	112.9°	90.0°
C38	N4	C31	109.9°	90.0°
N4	C38	H36	108.8°	90.0°
N4	C38	H37	108.8°	90.0°
N4	C22	C23	117.4°	90.0°
C22	N4	C31	108.2°	90.0°
N4	C22	H20	107.5°	90.0°
N4	C22	H21	107.5°	90.0°
C22	C23	C24	114.8°	90.0°
C23	C22	H20	107.5°	90.0°
C23	C22	H21	107.4°	90.0°
C22	C23	H22	108.1°	90.0°
C22	C23	H23	108.1°	90.0°
N4	C31	C32	116.9°	90.0°
N4	C31	H31	107.6°	90.0°
N4	C31	H32	107.6°	90.0°
C33	C34	C35	120.0°	90.0°
C34	C33	C32	120.9°	90.0°
C34	C33	H33	119.5°	90.0°
C33	C34	H34	120.0°	90.0°
C34	C35	CL1	118.1°	90.0°
C34	C35	C36	120.0°	90.0°
C35	C34	H34	120.0°	90.0°
C33	C32	C31	120.1°	90.0°
C33	C32	C37	118.9°	90.0°
C32	C33	H33	119.5°	90.0°
C40	C4	C3	117.5°	90.0°
C4	C40	C41	121.3°	90.0°
C4	C40	H40	119.3°	90.0°
C4	C3	C2	122.1°	90.0°
C4	C3	H2	118.9°	90.0°
C23	C24	C25	116.1°	90.0°
C24	C23	H22	108.1°	90.0°
C24	C23	H23	108.1°	90.0°
C23	C24	H24	107.8°	90.0°
C23	C24	H25	107.8°	90.0°
CL1	C35	C36	121.8°	90.0°
C40	C41	C1	118.4°	90.0°
C41	C40	H40	119.3°	90.0°
C40	C41	H41	120.8°	90.0°
C35	C36	C37	119.8°	90.0°
C35	C36	CL2	121.1°	90.0°
C31	C32	C37	121.0°	90.0°
C32	C31	H31	107.6°	90.0°
C32	C31	H32	107.6°	90.0°
C32	C37	C36	120.3°	90.0°
C32	C37	H35	119.8°	90.0°
C3	C2	C1	117.6°	90.0°
C3	C2	H1	121.2°	90.0°
C2	C3	H2	119.0°	90.0°
C37	C36	CL2	119.1°	90.0°
C36	C37	H35	119.8°	90.0°
C41	C1	C2	123.0°	90.0°
C41	C1	F1	118.4°	90.0°
C1	C41	H41	120.8°	90.0°
C27	C26	C25	120.7°	90.0°
C26	C27	C28	120.3°	90.0°
C27	C26	H26	119.7°	90.0°
C26	C27	H27	119.8°	90.0°
C26	C25	C24	121.6°	90.0°
C26	C25	C30	118.2°	90.0°
C25	C26	H26	119.6°	90.0°
C24	C25	C30	120.2°	90.0°
C25	C24	H24	107.8°	90.0°
C25	C24	H25	107.8°	90.0°
C2	C1	F1	118.5°	90.0°
C1	C2	H1	121.2°	90.0°
C27	C28	C29	119.8°	90.0°
C28	C27	H27	119.9°	90.0°
C27	C28	H28	120.1°	90.0°
C25	C30	C29	120.9°	90.0°
C25	C30	H30	119.5°	90.0°
C28	C29	C30	120.1°	90.0°
C29	C28	H28	120.1°	90.0°
C28	C29	H29	119.9°	90.0°
C30	C29	H29	120.0°	90.0°
C29	C30	H30	119.5°	90.0°
H3	C5	H4	109.5°	90.0°
H5	C6	H6	109.4°	90.0°
H10	C12	H11	109.5°	90.0°
H16	C20	H17	109.5°	90.0°
H18	C21	H19	109.5°	90.0°
H20	C22	H21	109.5°	90.0°
H22	C23	H23	109.5°	90.0°
H24	C24	H25	109.5°	90.0°
H31	C31	H32	109.5°	90.0°
H36	C38	H37	109.5°	90.0°
H38	C39	H39	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C19	N3	N2	178.3°	90.0°
O1	C19	N3	C20	111.1°	90.0°
O1	C19	N3	C39	72.3°	90.0°
O1	C19	N2	C13	50.0°	90.0°
O1	C19	N2	C12	135.6°	90.0°
C15	C14	C13	H12	180.0°	90.0°
C14	C15	C16	H13	180.0°	90.0°
C15	C14	C13	N2	179.3°	90.0°
C15	C14	C13	C18	1.2°	90.0°
C14	C15	C16	F2	179.9°	90.0°
C14	C15	C16	C17	0.0°	90.0°
C13	C14	C15	C16	0.6°	90.0°
C14	C13	N2	C19	74.5°	90.0°
C14	C13	N2	C18	178.1°	90.0°
C14	C13	N2	C12	110.8°	90.0°
C14	C13	C18	C17	1.3°	90.0°
C13	C14	C15	H13	179.4°	90.0°
C14	C13	C18	H15	178.8°	90.0°
C15	C16	F2	C17	179.9°	90.0°
C15	C16	C17	C18	0.0°	90.0°
C16	C15	C14	H12	179.4°	90.0°
C15	C16	C17	H14	180.0°	90.0°
C19	N3	C20	C39	176.9°	90.0°
N3	C19	N2	C13	128.4°	90.0°
N3	C19	N2	C12	46.1°	90.0°
C19	N3	C20	C21	164.7°	90.0°
C19	N3	C39	C38	133.8°	90.0°
C19	N3	C20	H16	44.5°	90.0°
C19	N3	C20	H17	75.1°	90.0°
C19	N3	C39	H38	13.7°	90.0°
C19	N3	C39	H39	106.2°	90.0°
N2	C19	N3	C20	70.5°	90.0°
N2	C19	N3	C39	106.1°	90.0°
C19	N2	C13	C12	174.6°	90.0°
C19	N2	C13	C18	103.5°	90.0°
C19	N2	C12	C11	139.1°	90.0°
C19	N2	C12	H10	99.7°	90.0°
C19	N2	C12	H11	17.8°	90.0°
C6	N1	C7	H7	180.0°	90.0°
N1	C6	C5	H5	120.3°	90.0°
N1	C6	C5	H6	120.3°	90.0°
C6	N1	C7	C8	162.5°	90.0°
C6	N1	C7	O3	14.8°	90.0°
N1	C6	C5	C4	79.4°	90.0°
N1	C6	C5	H3	41.6°	90.0°
N1	C6	C5	H4	159.6°	90.0°
N1	C6	H5	H6	119.2°	90.0°
C7	N1	C6	C5	77.9°	90.0°
N1	C7	C8	O3	177.2°	90.0°
N1	C7	C8	O2	28.5°	90.0°
N1	C7	C8	C9	153.7°	90.0°
C7	N1	C6	H5	161.9°	90.0°
C7	N1	C6	H6	42.4°	90.0°
C6	C5	C4	H3	121.0°	90.0°
C6	C5	C4	H4	121.0°	90.0°
C6	C5	C4	C40	84.5°	90.0°
C6	C5	C4	C3	99.0°	90.0°
C6	C5	H3	H4	117.0°	90.0°
C5	C6	H5	H6	119.2°	90.0°
C5	C6	N1	H7	102.2°	90.0°
N3	C20	C21	H16	120.2°	90.0°
N3	C20	C21	H17	120.2°	90.0°
C20	N3	C39	C38	43.2°	90.0°
N3	C20	C21	N4	65.5°	90.0°
N3	C20	H16	H17	119.3°	90.0°
N3	C20	C21	H18	54.8°	90.0°
N3	C20	C21	H19	174.2°	90.0°
C20	N3	C39	H38	163.2°	90.0°
C20	N3	C39	H39	76.9°	90.0°
C39	N3	C20	C21	18.4°	90.0°
N3	C39	C38	H38	120.0°	90.0°
N3	C39	C38	H39	120.1°	90.0°
N3	C39	C38	N4	65.5°	90.0°
C39	N3	C20	H16	138.6°	90.0°
C39	N3	C20	H17	101.8°	90.0°
N3	C39	C38	H36	54.9°	90.0°
N3	C39	C38	H37	174.0°	90.0°
N3	C39	H38	H39	119.8°	90.0°
C13	N2	C12	C11	46.4°	90.0°
N2	C13	C18	C17	179.4°	90.0°
C13	N2	C12	H10	74.8°	90.0°
C13	N2	C12	H11	167.7°	90.0°
N2	C13	C14	H12	0.7°	90.0°
N2	C13	C18	H15	0.6°	90.0°
C12	N2	C13	C18	71.1°	90.0°
N2	C12	C11	O2	132.4°	90.0°
N2	C12	C11	H10	121.2°	90.0°
N2	C12	C11	H11	121.2°	90.0°
N2	C12	C11	C10	51.3°	90.0°
N2	C12	H10	H11	116.0°	90.0°
C13	C18	C17	C16	0.7°	90.0°
C13	C18	C17	H15	180.0°	90.0°
C18	C13	C14	H12	178.8°	90.0°
C13	C18	C17	H14	179.3°	90.0°
F2	C16	C17	C18	179.8°	90.0°
F2	C16	C15	H13	0.1°	90.0°
F2	C16	C17	H14	0.2°	90.0°
C16	C17	C18	H14	180.0°	90.0°
C17	C16	C15	H13	180.0°	90.0°
C16	C17	C18	H15	179.3°	90.0°
C20	C21	N4	H18	120.3°	90.0°
C20	C21	N4	H19	120.3°	90.0°
C20	C21	N4	C38	42.3°	90.0°
C20	C21	N4	C22	163.4°	90.0°
C20	C21	N4	C31	78.5°	90.0°
C21	C20	H16	H17	119.4°	90.0°
C20	C21	H18	H19	119.1°	90.0°
C39	C38	N4	C21	19.4°	90.0°
C39	C38	N4	H36	120.4°	90.0°
C39	C38	N4	H37	120.4°	90.0°
C39	C38	N4	C22	97.6°	90.0°
C39	C38	N4	C31	141.5°	90.0°
C39	C38	H36	H37	118.7°	90.0°
C38	C39	H38	H39	119.9°	90.0°
C7	C8	O2	C9	178.3°	90.0°
C7	C8	O2	C11	179.6°	90.0°
C7	C8	C9	C10	178.7°	90.0°
C8	C7	N1	H7	17.6°	90.0°
C7	C8	C9	H8	1.3°	90.0°
O3	C7	C8	O2	148.7°	90.0°
O3	C7	C8	C9	29.1°	90.0°
O3	C7	N1	H7	165.2°	90.0°
C8	O2	C11	C12	178.6°	90.0°
C8	O2	C11	C10	1.4°	90.0°
O2	C8	C9	C10	0.7°	90.0°
O2	C8	C9	H8	179.3°	90.0°
C9	C8	O2	C11	1.3°	90.0°
C8	C9	C10	C11	0.2°	90.0°
C8	C9	C10	H8	180.0°	90.0°
C8	C9	C10	H9	179.8°	90.0°
O2	C11	C12	C10	176.2°	90.0°
O2	C11	C10	C9	1.0°	90.0°
O2	C11	C10	H9	179.0°	90.0°
O2	C11	C12	H10	106.3°	90.0°
O2	C11	C12	H11	11.2°	90.0°
C21	N4	C38	C22	117.0°	90.0°
C21	N4	C38	C31	122.2°	90.0°
C21	N4	C22	C31	120.6°	90.0°
C21	N4	C22	C23	149.2°	90.0°
C21	N4	C31	C32	24.3°	90.0°
N4	C21	C20	H16	174.3°	90.0°
N4	C21	C20	H17	54.7°	90.0°
N4	C21	H18	H19	119.1°	90.0°
C21	N4	C22	H20	28.0°	90.0°
C21	N4	C22	H21	89.7°	90.0°
C21	N4	C31	H31	145.4°	90.0°
C21	N4	C31	H32	96.8°	90.0°
C21	N4	C38	H36	101.0°	90.0°
C21	N4	C38	H37	139.8°	90.0°
C12	C11	C10	C9	177.4°	90.0°
C12	C11	C10	H9	2.6°	90.0°
C11	C12	H10	H11	116.1°	90.0°
C11	C10	C9	H9	180.0°	90.0°
C11	C10	C9	H8	179.8°	90.0°
C10	C11	C12	H10	69.9°	90.0°
C10	C11	C12	H11	172.6°	90.0°
C5	C4	C40	C3	176.6°	90.0°
C5	C4	C40	C41	178.6°	90.0°
C5	C4	C3	C2	177.4°	90.0°
C5	C4	C3	H2	2.5°	90.0°
C4	C5	H3	H4	117.0°	90.0°
C4	C5	C6	H5	160.3°	90.0°
C4	C5	C6	H6	40.9°	90.0°
C5	C4	C40	H40	1.4°	90.0°
C38	N4	C22	C31	121.8°	90.0°
C38	N4	C22	C23	31.6°	90.0°
C38	N4	C31	C32	95.0°	90.0°
C38	N4	C21	H18	78.0°	90.0°
C38	N4	C21	H19	162.6°	90.0°
C38	N4	C22	H20	89.5°	90.0°
C38	N4	C22	H21	152.8°	90.0°
C38	N4	C31	H31	26.1°	90.0°
C38	N4	C31	H32	143.9°	90.0°
N4	C38	H36	H37	118.8°	90.0°
N4	C38	C39	H38	174.4°	90.0°
N4	C38	C39	H39	54.5°	90.0°
N4	C22	C23	H20	121.2°	90.0°
N4	C22	C23	H21	121.1°	90.0°
N4	C22	C23	C24	74.9°	90.0°
C22	N4	C31	C32	141.3°	90.0°
C22	N4	C21	H18	43.1°	90.0°
C22	N4	C21	H19	76.3°	90.0°
N4	C22	H20	H21	116.4°	90.0°
N4	C22	C23	H22	45.9°	90.0°
N4	C22	C23	H23	164.3°	90.0°
C22	N4	C31	H31	97.6°	90.0°
C22	N4	C31	H32	20.2°	90.0°
C22	N4	C38	H36	142.0°	90.0°
C22	N4	C38	H37	22.8°	90.0°
C23	C22	N4	C31	90.2°	90.0°
C22	C23	C24	H22	120.8°	90.0°
C22	C23	C24	H23	120.8°	90.0°
C22	C23	C24	C25	147.0°	90.0°
C23	C22	H20	H21	116.4°	90.0°
C22	C23	H22	H23	117.5°	90.0°
C22	C23	C24	H24	92.1°	90.0°
C22	C23	C24	H25	26.0°	90.0°
N4	C31	C32	C33	68.3°	90.0°
N4	C31	C32	H31	121.1°	90.0°
N4	C31	C32	H32	121.1°	90.0°
N4	C31	C32	C37	111.6°	90.0°
C31	N4	C21	H18	161.2°	90.0°
C31	N4	C21	H19	41.8°	90.0°
C31	N4	C22	H20	148.6°	90.0°
C31	N4	C22	H21	30.9°	90.0°
N4	C31	H31	H32	116.6°	90.0°
C31	N4	C38	H36	21.1°	90.0°
C31	N4	C38	H37	98.1°	90.0°
C33	C34	C35	H34	180.0°	90.0°
C34	C33	C32	H33	180.0°	90.0°
C33	C34	C35	CL1	179.1°	90.0°
C33	C34	C35	C36	0.8°	90.0°
C34	C33	C32	C31	178.4°	90.0°
C34	C33	C32	C37	1.5°	90.0°
C35	C34	C33	C32	1.5°	90.0°
C34	C35	CL1	C36	179.9°	90.0°
C34	C35	C36	C37	0.1°	90.0°
C34	C35	C36	CL2	179.9°	90.0°
C35	C34	C33	H33	178.5°	90.0°
C33	C32	C31	C37	179.9°	90.0°
C33	C32	C37	C36	0.8°	90.0°
C33	C32	C31	H31	170.7°	90.0°
C33	C32	C31	H32	52.8°	90.0°
C32	C33	C34	H34	178.5°	90.0°
C33	C32	C37	H35	179.2°	90.0°
C4	C40	C41	H40	180.0°	90.0°
C40	C4	C3	C2	0.9°	90.0°
C4	C40	C41	C1	2.2°	90.0°
C40	C4	C3	H2	179.1°	90.0°
C40	C4	C5	H3	154.5°	90.0°
C40	C4	C5	H4	36.5°	90.0°
C4	C40	C41	H41	177.8°	90.0°
C3	C4	C40	C41	2.0°	90.0°
C4	C3	C2	H2	180.0°	90.0°
C4	C3	C2	C1	0.0°	90.0°
C4	C3	C2	H1	180.0°	90.0°
C3	C4	C5	H3	21.9°	90.0°
C3	C4	C5	H4	140.0°	90.0°
C3	C4	C40	H40	178.1°	90.0°
C23	C24	C25	C26	16.2°	90.0°
C23	C24	C25	H24	121.0°	90.0°
C23	C24	C25	H25	121.0°	90.0°
C23	C24	C25	C30	164.1°	90.0°
C24	C23	C22	H20	164.0°	90.0°
C24	C23	C22	H21	46.3°	90.0°
C24	C23	H22	H23	117.6°	90.0°
C23	C24	H24	H25	117.0°	90.0°
CL1	C35	C36	C37	179.8°	90.0°
CL1	C35	C36	CL2	0.0°	90.0°
CL1	C35	C34	H34	0.9°	90.0°
C40	C41	C1	H41	180.0°	90.0°
C40	C41	C1	C2	1.4°	90.0°
C40	C41	C1	F1	179.1°	90.0°
C35	C36	C37	C32	0.1°	90.0°
C35	C36	C37	CL2	179.8°	90.0°
C36	C35	C34	H34	179.2°	90.0°
C35	C36	C37	H35	179.9°	90.0°
C31	C32	C37	C36	179.1°	90.0°
C32	C31	H31	H32	116.6°	90.0°
C31	C32	C33	H33	1.6°	90.0°
C31	C32	C37	H35	1.0°	90.0°
C32	C37	C36	H35	180.0°	90.0°
C32	C37	C36	CL2	179.9°	90.0°
C37	C32	C31	H31	9.5°	90.0°
C37	C32	C31	H32	127.3°	90.0°
C37	C32	C33	H33	178.5°	90.0°
C3	C2	C1	C41	0.3°	90.0°
C3	C2	C1	H1	180.0°	90.0°
C3	C2	C1	F1	179.9°	90.0°
CL2	C36	C37	H35	0.1°	90.0°
C41	C1	C2	F1	179.5°	90.0°
C41	C1	C2	H1	179.7°	90.0°
C1	C41	C40	H40	177.8°	90.0°
C27	C26	C25	H26	180.0°	90.0°
C27	C26	C25	C24	180.0°	90.0°
C26	C27	C28	H27	180.0°	90.0°
C27	C26	C25	C30	0.3°	90.0°
C26	C27	C28	C29	0.0°	90.0°
C26	C27	C28	H28	180.0°	90.0°
C26	C25	C24	C30	179.7°	90.0°
C25	C26	C27	C28	0.2°	90.0°
C26	C25	C30	C29	0.3°	90.0°
C26	C25	C24	H24	104.7°	90.0°
C26	C25	C24	H25	137.2°	90.0°
C25	C26	C27	H27	179.8°	90.0°
C26	C25	C30	H30	179.7°	90.0°
C24	C25	C30	C29	179.9°	90.0°
C25	C24	C23	H22	26.2°	90.0°
C25	C24	C23	H23	92.3°	90.0°
C25	C24	H24	H25	117.0°	90.0°
C24	C25	C26	H26	0.0°	90.0°
C24	C25	C30	H30	0.0°	90.0°
C1	C2	C3	H2	179.9°	90.0°
C2	C1	C41	H41	178.6°	90.0°
C27	C28	C29	H28	180.0°	90.0°
C27	C28	C29	C30	0.0°	90.0°
C28	C27	C26	H26	179.8°	90.0°
C27	C28	C29	H29	180.0°	90.0°
C25	C30	C29	C28	0.1°	90.0°
C25	C30	C29	H30	180.0°	90.0°
C30	C25	C24	H24	74.9°	90.0°
C30	C25	C24	H25	43.1°	90.0°
C30	C25	C26	H26	179.7°	90.0°
C25	C30	C29	H29	179.9°	90.0°
F1	C1	C2	H1	0.2°	90.0°
F1	C1	C41	H41	0.9°	90.0°
C28	C29	C30	H29	180.0°	90.0°
C29	C28	C27	H27	180.0°	90.0°
C28	C29	C30	H30	179.9°	90.0°
C30	C29	C28	H28	179.9°	90.0°
H1	C2	C3	H2	0.0°	90.0°
H3	C5	C6	H5	78.7°	90.0°
H3	C5	C6	H6	161.9°	90.0°
H4	C5	C6	H5	39.4°	90.0°
H4	C5	C6	H6	80.1°	90.0°
H5	C6	N1	H7	18.1°	90.0°
H6	C6	N1	H7	137.5°	90.0°
H8	C9	C10	H9	0.2°	90.0°
H12	C14	C15	H13	0.6°	90.0°
H14	C17	C18	H15	0.7°	90.0°
H16	C20	C21	H18	65.4°	90.0°
H16	C20	C21	H19	54.0°	90.0°
H17	C20	C21	H18	175.0°	90.0°
H17	C20	C21	H19	65.6°	90.0°
H20	C22	C23	H22	75.2°	90.0°
H20	C22	C23	H23	43.2°	90.0°
H21	C22	C23	H22	167.1°	90.0°
H21	C22	C23	H23	74.5°	90.0°
H22	C23	C24	H24	147.1°	90.0°
H22	C23	C24	H25	94.8°	90.0°
H23	C23	C24	H24	28.7°	90.0°
H23	C23	C24	H25	146.8°	90.0°
H26	C26	C27	H27	0.2°	90.0°
H27	C27	C28	H28	0.0°	90.0°
H28	C28	C29	H29	0.1°	90.0°
H29	C29	C30	H30	0.1°	90.0°
H33	C33	C34	H34	1.5°	90.0°
H36	C38	C39	H38	65.2°	90.0°
H36	C38	C39	H39	174.9°	90.0°
H37	C38	C39	H38	54.0°	90.0°
H37	C38	C39	H39	65.9°	90.0°
H40	C40	C41	H41	2.2°	90.0°

Release date:	2024-04-03
Definition date:	2023-06-19
Last modified:	2024-03-29
Release status:	REL
Processing site:	PDBE
Derived from:	8PF3