A1EOT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C20	C21	sing	1.53Å	1.53Å
C20	C19	sing	1.53Å	1.53Å
C18	C19	sing	1.53Å	1.53Å
C18	C17	sing	1.53Å	1.53Å
C17	C16	sing	1.53Å	1.53Å
C15	C16	sing	1.53Å	1.53Å
C15	C14	sing	1.53Å	1.53Å
C14	C13	sing	1.53Å	1.53Å
C13	C12	sing	1.53Å	1.53Å
O9	C12	sing	1.43Å	1.40Å
O9	C11	sing	1.43Å	1.40Å
C38	C39	sing	1.53Å	1.53Å
C38	C37	sing	1.51Å	1.53Å
O11	P1	doub	1.48Å	1.46Å
O6	C6	sing	1.43Å	1.40Å
C11	C10	sing	1.53Å	1.53Å
C39	C40	sing	1.53Å	1.53Å
O17	C37	doub	1.21Å	1.18Å
C37	O16	sing	1.34Å	1.40Å
C6	C5	sing	1.53Å	1.53Å
C10	C24	sing	1.53Å	1.53Å
C10	O2	sing	1.45Å	1.40Å
C24	O10	sing	1.43Å	1.40Å
P1	O10	sing	1.61Å	1.65Å
P1	O7	sing	1.61Å	1.65Å
P1	O12	sing	1.61Å	1.46Å
C40	C41	sing	1.53Å	1.53Å
C28	C23	sing	1.53Å	1.53Å
C28	C27	sing	1.53Å	1.53Å
C42	C43	sing	1.53Å	1.53Å
C42	C41	sing	1.53Å	1.53Å
O16	C36	sing	1.45Å	1.40Å
O7	C25	sing	1.43Å	1.40Å
C23	C30	sing	1.53Å	1.53Å
O5	C5	sing	1.43Å	1.41Å
O5	C1	sing	1.43Å	1.41Å
O2	C9	sing	1.34Å	1.40Å
C8	C9	sing	1.51Å	1.53Å
C8	C7	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.53Å
C22	C29	sing	1.53Å	1.53Å
C22	C27	sing	1.53Å	1.53Å
C9	O8	doub	1.21Å	1.19Å
C36	C25	sing	1.53Å	1.53Å
C36	C35	sing	1.53Å	1.52Å
C25	C26	sing	1.53Å	1.54Å
C4	O4	sing	1.43Å	1.40Å
C4	C3	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.53Å
C1	O1	sing	1.43Å	1.40Å
C30	C7	sing	1.53Å	1.53Å
C26	O1	sing	1.43Å	1.40Å
C26	C33	sing	1.53Å	1.54Å
O15	C35	sing	1.43Å	1.40Å
C35	C34	sing	1.53Å	1.52Å
C2	C3	sing	1.53Å	1.52Å
C2	N2	sing	1.47Å	1.45Å
C34	C33	sing	1.53Å	1.53Å
C34	O14	sing	1.43Å	1.40Å
C3	O3	sing	1.43Å	1.40Å
C33	O13	sing	1.43Å	1.40Å
C22	H38	sing	1.09Å	1.10Å
C22	H39	sing	1.09Å	1.10Å
C23	H40	sing	1.09Å	1.10Å
C23	H44	sing	1.09Å	1.10Å
C27	H45	sing	1.09Å	1.10Å
C27	H6	sing	1.09Å	1.10Å
C28	H7	sing	1.09Å	1.10Å
C28	H8	sing	1.09Å	1.10Å
C29	H9	sing	1.09Å	1.10Å
C29	H10	sing	1.09Å	1.10Å
C29	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C15	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
C20	H18	sing	1.09Å	1.10Å
C20	H19	sing	1.09Å	1.10Å
C21	H20	sing	1.09Å	1.10Å
C21	H21	sing	1.09Å	1.10Å
C21	H22	sing	1.09Å	1.10Å
C17	H23	sing	1.09Å	1.10Å
C17	H24	sing	1.09Å	1.10Å
C18	H25	sing	1.09Å	1.10Å
C18	H26	sing	1.09Å	1.10Å
C7	H27	sing	1.09Å	1.10Å
C7	H28	sing	1.09Å	1.10Å
C8	H29	sing	1.09Å	1.10Å
C8	H30	sing	1.09Å	1.10Å
C12	H31	sing	1.09Å	1.10Å
C12	H32	sing	1.09Å	1.10Å
C13	H33	sing	1.09Å	1.10Å
C13	H34	sing	1.09Å	1.10Å
C10	H35	sing	1.09Å	1.10Å
C11	H36	sing	1.09Å	1.10Å
C11	H37	sing	1.09Å	1.10Å
N2	HN21	sing	1.01Å	1.00Å
N2	HN22	sing	1.01Å	1.00Å
C30	H41	sing	1.09Å	1.10Å
C30	H42	sing	1.09Å	1.10Å
O12	H43	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O13	H47	sing	0.97Å	0.95Å
O14	H48	sing	0.97Å	0.95Å
O15	H49	sing	0.97Å	0.95Å
C19	H50	sing	1.09Å	1.10Å
C19	H51	sing	1.09Å	1.10Å
C24	H52	sing	1.09Å	1.10Å
C24	H53	sing	1.09Å	1.10Å
C25	H54	sing	1.09Å	1.10Å
C26	H55	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C3	H46	sing	1.09Å	1.10Å
C2	H56	sing	1.09Å	1.10Å
C33	H63	sing	1.09Å	1.10Å
C34	H64	sing	1.09Å	1.10Å
C35	H65	sing	1.09Å	1.10Å
C36	H66	sing	1.09Å	1.10Å
C38	H67	sing	1.09Å	1.10Å
C38	H68	sing	1.09Å	1.10Å
C39	H69	sing	1.09Å	1.10Å
C39	H70	sing	1.09Å	1.10Å
C40	H71	sing	1.09Å	1.10Å
C40	H72	sing	1.09Å	1.10Å
C41	H73	sing	1.09Å	1.10Å
C41	H74	sing	1.09Å	1.10Å
C42	H75	sing	1.09Å	1.10Å
C42	H76	sing	1.09Å	1.10Å
C43	H77	sing	1.09Å	1.10Å
C43	H78	sing	1.09Å	1.10Å
C43	H79	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C21	C20	C19	109.5°	109.4°
C21	C20	H18	109.5°	109.5°
C21	C20	H19	109.5°	109.4°
C20	C21	H20	109.5°	109.5°
C20	C21	H21	109.5°	109.5°
C20	C21	H22	109.4°	109.5°
C20	C19	C18	109.2°	109.4°
C19	C20	H18	109.5°	109.5°
C19	C20	H19	109.5°	109.5°
C20	C19	H50	109.5°	109.5°
C20	C19	H51	109.6°	109.5°
C19	C18	C17	109.5°	109.5°
C19	C18	H25	109.5°	109.4°
C19	C18	H26	109.5°	109.5°
C18	C19	H50	109.5°	109.5°
C18	C19	H51	109.5°	109.4°
C18	C17	C16	109.8°	109.5°
C18	C17	H23	109.4°	109.5°
C18	C17	H24	109.4°	109.5°
C17	C18	H25	109.4°	109.5°
C17	C18	H26	109.5°	109.5°
C17	C16	C15	108.9°	109.5°
C17	C16	H16	109.6°	109.5°
C17	C16	H17	109.6°	109.4°
C16	C17	H23	109.4°	109.5°
C16	C17	H24	109.4°	109.4°
C16	C15	C14	109.8°	109.5°
C16	C15	H14	109.4°	109.5°
C16	C15	H15	109.4°	109.5°
C15	C16	H16	109.6°	109.4°
C15	C16	H17	109.6°	109.5°
C15	C14	C13	109.0°	109.5°
C15	C14	H12	109.6°	109.4°
C15	C14	H13	109.6°	109.5°
C14	C15	H14	109.4°	109.5°
C14	C15	H15	109.4°	109.5°
C14	C13	C12	109.4°	109.5°
C13	C14	H12	109.6°	109.5°
C13	C14	H13	109.6°	109.5°
C14	C13	H33	109.5°	109.5°
C14	C13	H34	109.5°	109.5°
C13	C12	O9	110.7°	109.5°
C13	C12	H31	109.2°	109.5°
C13	C12	H32	109.2°	109.5°
C12	C13	H33	109.5°	109.4°
C12	C13	H34	109.5°	109.5°
C12	O9	C11	114.6°	114.0°
O9	C12	H31	109.2°	109.5°
O9	C12	H32	109.2°	109.4°
O9	C11	C10	110.0°	109.5°
O9	C11	H36	109.3°	109.5°
O9	C11	H37	109.3°	109.5°
C39	C38	C37	109.7°	109.5°
C38	C39	C40	110.1°	109.5°
C39	C38	H67	109.4°	109.5°
C39	C38	H68	109.4°	109.5°
C38	C39	H69	109.3°	109.5°
C38	C39	H70	109.3°	109.4°
C38	C37	O17	120.1°	120.0°
C38	C37	O16	119.6°	120.0°
C37	C38	H67	109.4°	109.4°
C37	C38	H68	109.4°	109.4°
O11	P1	O10	111.1°	109.5°
O11	P1	O7	111.2°	109.5°
O11	P1	O12	101.1°	109.5°
O6	C6	C5	109.4°	109.5°
C6	O6	HO6	109.5°	114.0°
O6	C6	H3	109.5°	109.5°
O6	C6	H2	109.5°	109.5°
C11	C10	C24	109.1°	109.5°
C11	C10	O2	109.5°	109.5°
C11	C10	H35	109.0°	109.5°
C10	C11	H36	109.3°	109.5°
C10	C11	H37	109.4°	109.5°
C39	C40	C41	109.4°	109.5°
C40	C39	H69	109.3°	109.5°
C40	C39	H70	109.3°	109.5°
C39	C40	H71	109.5°	109.5°
C39	C40	H72	109.5°	109.4°
O17	C37	O16	120.3°	120.0°
C37	O16	C36	114.8°	117.0°
C6	C5	O5	108.2°	109.5°
C6	C5	C4	108.6°	109.5°
C6	C5	H5	108.5°	109.5°
C5	C6	H3	109.5°	109.4°
C5	C6	H2	109.5°	109.5°
C24	C10	O2	109.5°	109.5°
C10	C24	O10	109.4°	109.5°
C24	C10	H35	109.0°	109.4°
C10	C24	H52	109.5°	109.5°
C10	C24	H53	109.5°	109.5°
C10	O2	C9	114.1°	117.0°
O2	C10	H35	110.8°	109.5°
C24	O10	P1	119.2°	123.0°
O10	C24	H52	109.5°	109.4°
O10	C24	H53	109.5°	109.4°
O10	P1	O7	110.6°	109.5°
O10	P1	O12	111.3°	109.5°
O7	P1	O12	111.2°	109.4°
P1	O7	C25	119.0°	123.0°
P1	O12	H43	109.5°	114.0°
C40	C41	C42	109.8°	109.5°
C41	C40	H71	109.5°	109.5°
C41	C40	H72	109.5°	109.4°
C40	C41	H73	109.4°	109.5°
C40	C41	H74	109.4°	109.5°
C23	C28	C27	113.5°	109.4°
C28	C23	C30	113.8°	109.4°
C28	C23	H40	108.4°	109.5°
C28	C23	H44	108.4°	109.5°
C23	C28	H7	108.5°	109.5°
C23	C28	H8	108.5°	109.5°
C28	C27	C22	109.5°	109.5°
C28	C27	H45	109.5°	109.5°
C28	C27	H6	109.5°	109.5°
C27	C28	H7	108.5°	109.5°
C27	C28	H8	108.5°	109.5°
C43	C42	C41	109.5°	109.5°
C43	C42	H75	109.5°	109.5°
C43	C42	H76	109.5°	109.5°
C42	C43	H77	109.5°	109.5°
C42	C43	H78	109.5°	109.5°
C42	C43	H79	109.4°	109.4°
C42	C41	H73	109.4°	109.5°
C42	C41	H74	109.4°	109.4°
C41	C42	H75	109.5°	109.4°
C41	C42	H76	109.5°	109.4°
O16	C36	C25	109.1°	109.5°
O16	C36	C35	109.3°	109.5°
O16	C36	H66	111.4°	109.5°
O7	C25	C36	107.3°	109.5°
O7	C25	C26	110.9°	109.5°
O7	C25	H54	110.4°	109.5°
C23	C30	C7	109.5°	109.5°
C30	C23	H40	108.4°	109.5°
C30	C23	H44	108.4°	109.5°
C23	C30	H41	109.5°	109.5°
C23	C30	H42	109.4°	109.5°
C5	O5	C1	121.5°	114.1°
O5	C5	C4	112.7°	109.4°
O5	C5	H5	110.2°	109.5°
O5	C1	C2	111.9°	109.4°
O5	C1	O1	112.5°	109.5°
O5	C1	H1	108.3°	109.5°
O2	C9	C8	120.1°	120.0°
O2	C9	O8	120.1°	119.9°
C9	C8	C7	109.9°	109.5°
C8	C9	O8	119.8°	120.0°
C9	C8	H29	109.4°	109.5°
C9	C8	H30	109.4°	109.5°
C8	C7	C30	109.4°	109.5°
C8	C7	H27	109.5°	109.5°
C8	C7	H28	109.5°	109.5°
C7	C8	H29	109.4°	109.5°
C7	C8	H30	109.3°	109.5°
C5	C4	O4	109.2°	109.5°
C5	C4	C3	109.6°	109.2°
C4	C5	H5	108.5°	109.5°
C5	C4	H4	109.0°	109.5°
C29	C22	C27	112.8°	109.5°
C29	C22	H38	108.6°	109.5°
C29	C22	H39	108.6°	109.4°
C22	C29	H9	109.5°	109.4°
C22	C29	H10	109.5°	109.5°
C22	C29	H11	109.4°	109.4°
C27	C22	H38	108.6°	109.5°
C27	C22	H39	108.6°	109.5°
C22	C27	H45	109.5°	109.5°
C22	C27	H6	109.5°	109.5°
C25	C36	C35	107.7°	109.5°
C36	C25	C26	111.1°	109.4°
C36	C25	H54	108.6°	109.5°
C25	C36	H66	109.6°	109.4°
C36	C35	O15	110.3°	109.5°
C36	C35	C34	106.2°	109.5°
C36	C35	H65	109.3°	109.5°
C35	C36	H66	109.7°	109.4°
C25	C26	O1	110.7°	109.5°
C25	C26	C33	113.8°	109.5°
C26	C25	H54	108.5°	109.5°
C25	C26	H55	108.6°	109.5°
O4	C4	C3	109.1°	109.5°
C4	O4	HO4	109.5°	114.0°
O4	C4	H4	110.8°	109.5°
C4	C3	C2	108.2°	109.0°
C4	C3	O3	109.6°	109.6°
C3	C4	H4	109.1°	109.6°
C4	C3	H46	109.2°	109.6°
C2	C1	O1	108.8°	109.5°
C1	C2	C3	109.3°	109.2°
C1	C2	N2	109.4°	109.5°
C2	C1	H1	106.8°	109.5°
C1	C2	H56	109.3°	109.5°
C1	O1	C26	115.0°	114.0°
O1	C1	H1	108.3°	109.5°
C30	C7	H27	109.5°	109.5°
C30	C7	H28	109.5°	109.5°
C7	C30	H41	109.5°	109.5°
C7	C30	H42	109.5°	109.4°
O1	C26	C33	104.6°	109.5°
O1	C26	H55	110.5°	109.4°
C26	C33	C34	114.6°	109.5°
C26	C33	O13	108.6°	109.5°
C33	C26	H55	108.6°	109.5°
C26	C33	H63	107.7°	109.4°
O15	C35	C34	110.8°	109.4°
C35	O15	H49	109.5°	114.1°
O15	C35	H65	111.0°	109.5°
C35	C34	C33	109.6°	109.5°
C35	C34	O14	109.1°	109.5°
C35	C34	H64	109.1°	109.5°
C34	C35	H65	109.3°	109.4°
C3	C2	N2	109.2°	109.5°
C2	C3	O3	109.6°	109.5°
C2	C3	H46	109.2°	109.6°
C3	C2	H56	109.3°	109.6°
C2	N2	HN21	109.5°	110.9°
C2	N2	HN22	109.5°	111.0°
N2	C2	H56	110.3°	109.6°
C33	C34	O14	109.3°	109.5°
C34	C33	O13	108.5°	109.5°
C34	C33	H63	107.8°	109.5°
C33	C34	H64	109.0°	109.5°
C34	O14	H48	109.5°	114.0°
O14	C34	H64	110.8°	109.4°
C3	O3	HO3	109.5°	114.0°
O3	C3	H46	111.0°	109.5°
C33	O13	H47	109.5°	114.0°
O13	C33	H63	109.5°	109.5°
H38	C22	H39	109.5°	109.5°
H40	C23	H44	109.5°	109.5°
H45	C27	H6	109.5°	109.5°
H7	C28	H8	109.4°	109.5°
H9	C29	H10	109.5°	109.5°
H9	C29	H11	109.4°	109.5°
H10	C29	H11	109.5°	109.5°
H12	C14	H13	109.5°	109.5°
H14	C15	H15	109.4°	109.4°
H16	C16	H17	109.5°	109.5°
H18	C20	H19	109.5°	109.5°
H20	C21	H21	109.5°	109.4°
H20	C21	H22	109.5°	109.5°
H21	C21	H22	109.5°	109.4°
H23	C17	H24	109.5°	109.5°
H25	C18	H26	109.5°	109.4°
H27	C7	H28	109.5°	109.5°
H29	C8	H30	109.5°	109.5°
H31	C12	H32	109.5°	109.4°
H33	C13	H34	109.5°	109.5°
H36	C11	H37	109.5°	109.5°
HN21	N2	HN22	109.5°	111.0°
H41	C30	H42	109.5°	109.5°
H50	C19	H51	109.5°	109.5°
H52	C24	H53	109.5°	109.5°
H3	C6	H2	109.5°	109.5°
H67	C38	H68	109.4°	109.5°
H69	C39	H70	109.5°	109.4°
H71	C40	H72	109.5°	109.5°
H73	C41	H74	109.5°	109.4°
H75	C42	H76	109.4°	109.5°
H77	C43	H78	109.4°	109.5°
H77	C43	H79	109.5°	109.5°
H78	C43	H79	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C21	C20	C19	H18	120.0°	120.0°
C21	C20	C19	H19	120.0°	120.0°
C21	C20	C19	C18	179.6°	180.0°
C21	C20	H18	H19	120.0°	120.0°
C20	C21	H20	H21	120.0°	120.0°
C20	C21	H20	H22	120.0°	120.1°
C20	C21	H21	H22	120.0°	120.0°
C21	C20	C19	H50	59.7°	60.0°
C21	C20	C19	H51	60.4°	60.1°
C20	C19	C18	H50	119.9°	120.0°
C20	C19	C18	H51	120.0°	119.9°
C20	C19	C18	C17	148.8°	180.0°
C19	C20	H18	H19	120.0°	120.1°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	H21	60.0°	60.0°
C19	C20	C21	H22	60.0°	60.0°
C20	C19	C18	H25	91.2°	60.0°
C20	C19	C18	H26	28.8°	59.9°
C20	C19	H50	H51	120.2°	120.0°
C19	C18	C17	H25	120.0°	120.0°
C19	C18	C17	H26	120.0°	120.0°
C19	C18	C17	C16	77.5°	180.0°
C18	C19	C20	H18	60.3°	60.0°
C18	C19	C20	H19	59.6°	60.0°
C19	C18	C17	H23	162.5°	60.0°
C19	C18	C17	H24	42.5°	60.0°
C19	C18	H25	H26	120.0°	120.0°
C18	C19	H50	H51	120.1°	120.0°
C18	C17	C16	H23	120.0°	120.0°
C18	C17	C16	H24	120.1°	120.0°
C18	C17	C16	C15	107.9°	180.0°
C18	C17	C16	H16	132.2°	60.0°
C18	C17	C16	H17	12.0°	60.0°
C18	C17	H23	H24	119.9°	120.0°
C17	C18	H25	H26	120.0°	120.0°
C17	C18	C19	H50	28.9°	60.0°
C17	C18	C19	H51	91.2°	60.1°
C17	C16	C15	H16	119.9°	120.0°
C17	C16	C15	H17	119.9°	120.0°
C17	C16	C15	C14	154.3°	180.0°
C17	C16	C15	H14	85.6°	60.0°
C17	C16	C15	H15	34.3°	60.0°
C17	C16	H16	H17	120.3°	120.0°
C16	C17	H23	H24	119.8°	119.9°
C16	C17	C18	H25	42.5°	60.0°
C16	C17	C18	H26	162.5°	60.0°
C16	C15	C14	H14	120.1°	120.0°
C16	C15	C14	H15	120.1°	120.0°
C16	C15	C14	C13	166.2°	180.0°
C16	C15	C14	H12	46.2°	60.0°
C16	C15	C14	H13	73.9°	60.0°
C16	C15	H14	H15	119.8°	120.0°
C15	C16	H16	H17	120.3°	120.0°
C15	C16	C17	H23	12.1°	60.0°
C15	C16	C17	H24	132.1°	60.0°
C15	C14	C13	H12	120.0°	119.9°
C15	C14	C13	H13	119.9°	120.0°
C15	C14	C13	C12	58.1°	180.0°
C15	C14	H12	H13	120.2°	120.0°
C14	C15	H14	H15	119.8°	119.9°
C14	C15	C16	H16	34.4°	60.0°
C14	C15	C16	H17	85.8°	60.0°
C15	C14	C13	H33	178.0°	60.1°
C15	C14	C13	H34	61.9°	60.0°
C14	C13	C12	H33	120.0°	120.0°
C14	C13	C12	H34	120.0°	120.1°
C14	C13	C12	O9	165.3°	180.0°
C13	C14	H12	H13	120.2°	120.0°
C13	C14	C15	H14	73.8°	59.9°
C13	C14	C15	H15	46.1°	60.0°
C14	C13	C12	H31	45.1°	60.0°
C14	C13	C12	H32	74.6°	60.0°
C14	C13	H33	H34	120.1°	120.1°
C13	C12	O9	H31	120.2°	120.0°
C13	C12	O9	H32	120.2°	120.0°
C13	C12	O9	C11	50.0°	180.0°
C12	C13	C14	H12	61.9°	60.1°
C12	C13	C14	H13	178.0°	60.0°
C13	C12	H31	H32	119.5°	120.0°
C12	C13	H33	H34	120.0°	120.0°
C12	O9	C11	C10	129.1°	180.0°
O9	C12	H31	H32	119.4°	120.0°
O9	C12	C13	H33	74.8°	60.0°
O9	C12	C13	H34	45.3°	60.0°
C12	O9	C11	H36	9.0°	60.0°
C12	O9	C11	H37	110.8°	60.0°
O9	C11	C10	H36	120.1°	120.0°
O9	C11	C10	H37	120.1°	120.0°
O9	C11	C10	C24	174.9°	175.0°
O9	C11	C10	O2	65.3°	65.0°
C11	O9	C12	H31	170.2°	60.0°
C11	O9	C12	H32	70.2°	60.0°
O9	C11	C10	H35	56.0°	55.0°
O9	C11	H36	H37	119.8°	120.0°
C39	C38	C37	H67	120.1°	120.0°
C39	C38	C37	H68	120.1°	120.0°
C38	C39	C40	H69	120.1°	120.0°
C38	C39	C40	H70	120.1°	120.0°
C39	C38	C37	O17	47.5°	0.0°
C39	C38	C37	O16	132.3°	180.0°
C38	C39	C40	C41	114.9°	180.0°
C39	C38	H67	H68	119.9°	120.1°
C38	C39	H69	H70	119.7°	120.0°
C38	C39	C40	H71	5.1°	60.0°
C38	C39	C40	H72	125.1°	60.1°
C37	C38	C39	C40	76.0°	180.0°
C38	C37	O17	O16	179.8°	180.0°
C38	C37	O16	C36	167.8°	180.0°
C37	C38	H67	H68	119.9°	120.0°
C37	C38	C39	H69	163.9°	60.0°
C37	C38	C39	H70	44.1°	60.0°
O11	P1	O10	C24	55.8°	55.0°
O11	P1	O10	O7	124.0°	120.0°
O11	P1	O10	O12	111.9°	120.0°
O11	P1	O7	O12	111.9°	120.0°
O11	P1	O7	C25	171.2°	55.0°
O11	P1	O12	H43	0.0°	180.0°
O6	C6	C5	H3	120.0°	120.0°
O6	C6	C5	H2	120.0°	120.0°
O6	C6	C5	O5	25.2°	66.1°
O6	C6	C5	C4	97.5°	174.0°
O6	C6	C5	H5	144.7°	54.0°
O6	C6	H3	H2	120.1°	120.0°
C11	C10	C24	O2	119.8°	120.0°
C11	C10	C24	H35	118.9°	120.0°
C11	C10	O2	H35	120.3°	120.0°
C11	C10	C24	O10	150.6°	175.0°
C11	C10	O2	C9	128.4°	90.0°
C10	C11	H36	H37	119.8°	120.0°
C11	C10	C24	H52	89.4°	65.0°
C11	C10	C24	H53	30.6°	55.0°
C39	C40	C41	H71	120.0°	120.0°
C39	C40	C41	H72	120.0°	119.9°
C39	C40	C41	C42	53.2°	180.0°
C40	C39	C38	H67	164.0°	60.0°
C40	C39	C38	H68	44.1°	60.1°
C40	C39	H69	H70	119.7°	120.0°
C39	C40	H71	H72	120.1°	120.0°
C39	C40	C41	H73	66.9°	59.9°
C39	C40	C41	H74	173.3°	60.0°
O17	C37	O16	C36	12.0°	0.0°
O17	C37	C38	H67	72.6°	120.0°
O17	C37	C38	H68	167.5°	120.0°
C37	O16	C36	C25	151.0°	150.0°
C37	O16	C36	C35	91.5°	89.9°
C37	O16	C36	H66	29.9°	30.0°
O16	C37	C38	H67	107.6°	60.1°
O16	C37	C38	H68	12.3°	59.9°
C6	C5	O5	C4	120.1°	120.0°
C6	C5	O5	H5	118.5°	120.0°
C6	C5	O5	C1	163.3°	178.9°
C6	C5	C4	H5	117.8°	120.0°
C6	C5	C4	O4	71.3°	62.5°
C6	C5	C4	C3	169.2°	177.6°
C5	C6	O6	HO6	180.0°	180.0°
C5	C6	H3	H2	120.0°	120.0°
C6	C5	C4	H4	49.8°	57.6°
C24	C10	O2	H35	120.2°	120.0°
C10	C24	O10	H52	120.0°	120.0°
C10	C24	O10	H53	120.0°	120.0°
C10	C24	O10	P1	156.3°	180.0°
C24	C10	O2	C9	112.0°	150.0°
C24	C10	C11	H36	65.0°	55.0°
C24	C10	C11	H37	54.8°	65.0°
C10	C24	H52	H53	120.0°	120.0°
O2	C10	C24	O10	89.6°	65.0°
C10	O2	C9	C8	96.8°	180.0°
C10	O2	C9	O8	83.4°	0.0°
O2	C10	C11	H36	54.7°	175.0°
O2	C10	C11	H37	174.6°	55.0°
O2	C10	C24	H52	30.4°	55.0°
O2	C10	C24	H53	150.4°	175.0°
C24	O10	P1	O7	179.8°	175.0°
C24	O10	P1	O12	56.1°	65.0°
O10	C24	C10	H35	31.7°	55.0°
O10	C24	H52	H53	120.1°	119.9°
O10	P1	O7	O12	124.2°	120.0°
O10	P1	O7	C25	47.3°	175.0°
O10	P1	O12	H43	118.0°	59.9°
P1	O10	C24	H52	83.7°	60.0°
P1	O10	C24	H53	36.4°	60.0°
P1	O7	C25	C36	85.7°	120.0°
P1	O7	C25	C26	152.9°	120.0°
O7	P1	O12	H43	118.2°	60.1°
P1	O7	C25	H54	32.5°	0.0°
O12	P1	O7	C25	76.9°	65.0°
C40	C41	C42	C43	152.6°	180.0°
C40	C41	C42	H73	120.1°	120.0°
C40	C41	C42	H74	120.1°	120.0°
C41	C40	C39	H69	125.0°	60.0°
C41	C40	C39	H70	5.2°	60.0°
C41	C40	H71	H72	120.1°	120.0°
C40	C41	H73	H74	119.8°	120.0°
C40	C41	C42	H75	32.5°	60.0°
C40	C41	C42	H76	87.4°	60.0°
C23	C28	C27	H7	120.6°	120.0°
C23	C28	C27	H8	120.6°	120.0°
C28	C23	C30	H40	120.6°	120.0°
C28	C23	C30	H44	120.6°	120.0°
C23	C28	C27	C22	172.4°	180.0°
C28	C23	C30	C7	128.9°	180.0°
C28	C23	H40	H44	118.1°	120.0°
C23	C28	C27	H45	67.6°	60.0°
C23	C28	C27	H6	52.4°	60.0°
C23	C28	H7	H8	118.1°	120.0°
C28	C23	C30	H41	111.1°	60.0°
C28	C23	C30	H42	8.9°	60.0°
C27	C28	C23	C30	29.3°	180.0°
C28	C27	C22	C29	126.6°	180.0°
C28	C27	C22	H45	120.0°	120.0°
C28	C27	C22	H6	120.0°	120.0°
C28	C27	C22	H38	112.9°	60.0°
C28	C27	C22	H39	6.1°	60.0°
C27	C28	C23	H40	149.9°	60.0°
C27	C28	C23	H44	91.3°	60.0°
C28	C27	H45	H6	120.0°	120.0°
C27	C28	H7	H8	118.1°	120.0°
C43	C42	C41	H75	120.0°	120.0°
C43	C42	C41	H76	120.0°	120.0°
C43	C42	C41	H73	32.5°	60.0°
C43	C42	C41	H74	87.4°	60.0°
C43	C42	H75	H76	120.0°	120.1°
C42	C43	H77	H78	120.0°	120.0°
C42	C43	H77	H79	120.0°	120.0°
C42	C43	H78	H79	120.0°	120.0°
C42	C41	C40	H71	173.2°	60.0°
C42	C41	C40	H72	66.8°	60.0°
C42	C41	H73	H74	119.8°	119.9°
C41	C42	H75	H76	120.0°	119.9°
C41	C42	C43	H77	180.0°	180.0°
C41	C42	C43	H78	60.0°	60.0°
C41	C42	C43	H79	60.0°	60.0°
O16	C36	C25	O7	63.9°	60.0°
O16	C36	C25	C35	118.5°	120.0°
O16	C36	C25	H66	122.2°	120.0°
O16	C36	C35	H66	122.5°	120.0°
O16	C36	C25	C26	57.5°	60.0°
O16	C36	C35	O15	73.5°	60.0°
O16	C36	C35	C34	46.6°	60.0°
O16	C36	C25	H54	176.7°	180.0°
O16	C36	C35	H65	164.3°	179.9°
O7	C25	C36	C26	121.4°	120.0°
O7	C25	C36	H54	119.4°	120.0°
O7	C25	C36	C35	177.6°	180.0°
O7	C25	C26	H54	121.5°	120.0°
O7	C25	C26	O1	79.2°	60.0°
O7	C25	C26	C33	163.4°	180.0°
O7	C25	C26	H55	42.3°	59.9°
O7	C25	C36	H66	58.3°	60.1°
C23	C30	C7	C8	47.3°	180.0°
C23	C30	C7	H41	120.0°	120.0°
C23	C30	C7	H42	120.0°	120.0°
C30	C23	H40	H44	118.0°	120.0°
C30	C23	C28	H7	149.9°	60.0°
C30	C23	C28	H8	91.3°	60.0°
C23	C30	C7	H27	72.7°	60.0°
C23	C30	C7	H28	167.3°	60.0°
C23	C30	H41	H42	120.0°	120.0°
O5	C5	C4	H5	122.3°	119.9°
O5	C5	C4	O4	168.8°	177.5°
O5	C5	C4	C3	49.3°	57.6°
C5	O5	C1	C2	44.2°	61.1°
C5	O5	C1	O1	78.7°	58.8°
C5	O5	C1	H1	161.6°	178.8°
O5	C5	C6	H3	145.2°	53.9°
O5	C5	C6	H2	94.9°	173.9°
O5	C5	C4	H4	70.1°	62.4°
C1	O5	C5	C4	43.2°	61.1°
O5	C1	C2	O1	124.9°	119.9°
O5	C1	C2	H1	118.3°	120.0°
O5	C1	O1	H1	119.7°	120.0°
O5	C1	O1	C26	44.6°	75.8°
O5	C1	C2	C3	51.4°	57.6°
O5	C1	C2	N2	170.9°	177.4°
C1	O5	C5	H5	78.2°	58.8°
O5	C1	C2	H56	68.2°	62.3°
O2	C9	C8	O8	179.8°	180.0°
O2	C9	C8	C7	88.6°	180.0°
O2	C9	C8	H29	151.3°	60.0°
O2	C9	C8	H30	31.5°	60.0°
C9	O2	C10	H35	8.2°	30.0°
C9	C8	C7	H29	120.1°	120.0°
C9	C8	C7	H30	120.1°	120.0°
C9	C8	C7	C30	167.4°	180.0°
C9	C8	C7	H27	72.7°	60.0°
C9	C8	C7	H28	47.4°	60.0°
C9	C8	H29	H30	119.8°	120.0°
C7	C8	C9	O8	91.2°	0.0°
C8	C7	C30	H27	120.0°	120.0°
C8	C7	C30	H28	120.0°	120.0°
C8	C7	H27	H28	120.0°	120.0°
C7	C8	H29	H30	119.8°	120.0°
C8	C7	C30	H41	72.7°	60.0°
C8	C7	C30	H42	167.3°	60.0°
C5	C4	O4	C3	119.8°	119.7°
C5	C4	O4	H4	120.1°	120.2°
C5	C4	C3	H4	119.3°	120.0°
C5	C4	C3	C2	59.7°	57.0°
C5	C4	C3	O3	179.2°	176.8°
C5	C4	O4	HO4	180.0°	60.0°
C4	C5	C6	H3	22.5°	66.0°
C4	C5	C6	H2	142.5°	54.0°
C5	C4	C3	H46	59.0°	62.9°
C29	C22	C27	H38	120.5°	120.0°
C29	C22	C27	H39	120.5°	120.0°
C29	C22	H38	H39	118.5°	120.0°
C29	C22	C27	H45	113.4°	60.0°
C29	C22	C27	H6	6.6°	60.0°
C22	C29	H9	H10	120.0°	120.0°
C22	C29	H9	H11	120.0°	119.9°
C22	C29	H10	H11	120.0°	120.0°
C27	C22	H38	H39	118.5°	120.0°
C22	C27	H45	H6	120.0°	120.0°
C22	C27	C28	H7	51.8°	60.0°
C22	C27	C28	H8	67.0°	60.0°
C27	C22	C29	H9	180.0°	180.0°
C27	C22	C29	H10	60.0°	60.0°
C27	C22	C29	H11	60.0°	60.0°
O8	C9	C8	H29	28.9°	120.0°
O8	C9	C8	H30	148.7°	120.0°
C25	C36	C35	H66	119.2°	119.9°
C36	C25	C26	H54	119.3°	120.0°
C36	C25	C26	O1	161.6°	179.9°
C36	C25	C26	C33	44.2°	60.0°
C25	C36	C35	O15	168.2°	180.0°
C25	C36	C35	C34	71.8°	60.0°
C36	C25	C26	H55	76.9°	60.0°
C25	C36	C35	H65	45.9°	59.9°
C35	C36	C25	C26	61.0°	60.0°
C36	C35	O15	C34	117.2°	120.0°
C36	C35	O15	H65	121.2°	120.1°
C36	C35	C34	H65	117.7°	120.0°
C36	C35	C34	C33	65.3°	60.0°
C36	C35	C34	O14	175.2°	180.0°
C36	C35	O15	H49	9.4°	180.0°
C35	C36	C25	H54	58.2°	60.0°
C36	C35	C34	H64	54.0°	60.0°
C25	C26	O1	C1	80.0°	110.5°
C25	C26	O1	C33	122.9°	120.0°
C25	C26	O1	H55	120.3°	120.0°
C25	C26	C33	H55	121.1°	120.0°
C25	C26	C33	C34	38.9°	60.0°
C25	C26	C33	O13	160.5°	180.0°
C25	C26	C33	H63	81.0°	60.0°
C26	C25	C36	H66	179.7°	179.9°
O4	C4	C3	H4	121.2°	120.1°
O4	C4	C3	C2	179.2°	176.9°
O4	C4	C3	O3	61.3°	63.2°
O4	C4	C5	H5	46.5°	57.5°
O4	C4	C3	H46	60.5°	57.0°
C4	C3	C2	C1	60.9°	57.0°
C4	C3	C2	O3	119.5°	119.9°
C4	C3	C2	H46	118.8°	119.9°
C4	C3	C2	N2	179.5°	176.9°
C4	C3	O3	H46	120.7°	120.2°
C3	C4	O4	HO4	60.2°	179.7°
C4	C3	O3	HO3	180.0°	60.0°
C3	C4	C5	H5	73.0°	62.3°
C4	C3	C2	H56	58.7°	62.9°
C2	C1	O1	H1	115.7°	120.1°
C2	C1	O1	C26	169.2°	164.3°
C1	C2	C3	N2	119.6°	119.9°
C1	C2	C3	H56	119.6°	119.9°
C1	C2	N2	H56	120.2°	120.2°
C1	C2	C3	O3	179.7°	176.9°
C1	C2	N2	HN21	180.0°	60.1°
C1	C2	N2	HN22	60.0°	176.1°
C1	C2	C3	H46	57.9°	62.9°
C1	O1	C26	C33	157.1°	129.5°
O1	C1	C2	C3	73.5°	62.3°
O1	C1	C2	N2	46.0°	57.5°
C1	O1	C26	H55	40.3°	9.5°
O1	C1	C2	H56	166.9°	177.7°
C7	C30	C23	H40	8.3°	60.0°
C7	C30	C23	H44	110.5°	60.0°
C30	C7	H27	H28	120.0°	120.0°
C30	C7	C8	H29	47.3°	60.0°
C30	C7	C8	H30	72.6°	60.0°
C7	C30	H41	H42	120.0°	120.0°
O1	C26	C33	H55	118.0°	120.0°
O1	C26	C33	C34	159.8°	180.0°
O1	C26	C33	O13	78.6°	60.0°
O1	C26	C25	H54	42.3°	60.0°
C26	O1	C1	H1	75.1°	44.3°
O1	C26	C33	H63	39.9°	60.0°
C26	C33	C34	C35	49.5°	60.0°
C26	C33	C34	O13	121.6°	120.0°
C26	C33	C34	H63	119.9°	120.0°
C26	C33	C34	O14	168.9°	180.0°
C26	C33	O13	H63	117.4°	120.0°
C26	C33	O13	H47	180.0°	176.1°
C33	C26	C25	H54	75.1°	60.0°
C26	C33	C34	H64	69.9°	60.0°
O15	C35	C34	H65	122.5°	120.0°
O15	C35	C34	C33	175.0°	180.0°
O15	C35	C34	O14	55.5°	60.0°
O15	C35	C34	H64	65.7°	60.0°
O15	C35	C36	H66	49.0°	60.1°
C35	C34	C33	O14	119.4°	120.0°
C35	C34	C33	H64	119.4°	120.0°
C35	C34	O14	H64	120.2°	120.0°
C35	C34	C33	O13	171.1°	180.0°
C35	C34	O14	H48	180.0°	59.9°
C34	C35	O15	H49	107.8°	60.0°
C35	C34	C33	H63	70.4°	60.0°
C34	C35	C36	H66	169.0°	180.0°
C3	C2	N2	H56	120.2°	120.2°
C2	C3	O3	H46	120.7°	120.3°
C3	C2	N2	HN21	60.4°	179.7°
C3	C2	N2	HN22	59.6°	56.4°
C2	C3	O3	HO3	61.4°	179.5°
C3	C2	C1	H1	169.7°	177.6°
C2	C3	C4	H4	59.6°	63.0°
N2	C2	C3	O3	60.0°	63.3°
C2	N2	HN21	HN22	120.0°	123.9°
N2	C2	C1	H1	70.7°	62.5°
N2	C2	C3	H46	61.7°	57.0°
C33	C34	O14	H64	120.1°	120.0°
C34	C33	O13	H63	117.4°	120.0°
C34	C33	O13	H47	54.8°	56.1°
C33	C34	O14	H48	60.2°	179.9°
C34	C33	C26	H55	82.2°	60.0°
C33	C34	C35	H65	52.5°	60.0°
O14	C34	C33	O13	69.5°	60.0°
O14	C34	C33	H63	49.0°	60.0°
O14	C34	C35	H65	67.1°	60.0°
O3	C3	C4	H4	59.9°	56.9°
O3	C3	C2	H56	60.8°	56.9°
O13	C33	C26	H55	39.4°	60.0°
O13	C33	C34	H64	51.7°	59.9°
H38	C22	C27	H45	7.1°	60.0°
H38	C22	C27	H6	127.1°	180.0°
H38	C22	C29	H9	59.5°	59.9°
H38	C22	C29	H10	60.5°	180.0°
H38	C22	C29	H11	179.5°	60.0°
H39	C22	C27	H45	126.1°	180.0°
H39	C22	C27	H6	113.9°	60.0°
H39	C22	C29	H9	59.5°	60.0°
H39	C22	C29	H10	179.5°	60.0°
H39	C22	C29	H11	60.5°	180.0°
H40	C23	C28	H7	89.5°	60.0°
H40	C23	C28	H8	29.3°	180.0°
H40	C23	C30	H41	128.3°	180.0°
H40	C23	C30	H42	111.7°	60.0°
H44	C23	C28	H7	29.3°	180.0°
H44	C23	C28	H8	148.1°	60.0°
H44	C23	C30	H41	9.6°	60.0°
H44	C23	C30	H42	129.5°	180.0°
H45	C27	C28	H7	171.8°	60.0°
H45	C27	C28	H8	53.1°	180.0°
H6	C27	C28	H7	68.2°	180.0°
H6	C27	C28	H8	173.1°	60.0°
H9	C29	H10	H11	120.0°	120.0°
H12	C14	C15	H14	166.3°	60.0°
H12	C14	C15	H15	73.8°	180.0°
H12	C14	C13	H33	58.1°	180.0°
H12	C14	C13	H34	178.1°	60.0°
H13	C14	C15	H14	46.1°	180.0°
H13	C14	C15	H15	166.0°	60.1°
H13	C14	C13	H33	62.1°	60.0°
H13	C14	C13	H34	58.0°	180.0°
H14	C15	C16	H16	154.5°	180.0°
H14	C15	C16	H17	34.3°	60.0°
H15	C15	C16	H16	85.6°	60.0°
H15	C15	C16	H17	154.2°	180.0°
H16	C16	C17	H23	107.8°	180.0°
H16	C16	C17	H24	12.1°	60.0°
H17	C16	C17	H23	132.0°	60.0°
H17	C16	C17	H24	108.0°	180.0°
H18	C20	C21	H20	60.0°	59.9°
H18	C20	C21	H21	60.0°	60.0°
H18	C20	C21	H22	180.0°	180.0°
H18	C20	C19	H50	179.7°	180.0°
H18	C20	C19	H51	59.6°	59.9°
H19	C20	C21	H20	60.0°	60.0°
H19	C20	C21	H21	180.0°	180.0°
H19	C20	C21	H22	60.0°	60.0°
H19	C20	C19	H50	60.3°	60.0°
H19	C20	C19	H51	179.6°	180.0°
H20	C21	H21	H22	120.0°	120.0°
H23	C17	C18	H25	77.6°	NaN°
H23	C17	C18	H26	42.5°	60.0°
H24	C17	C18	H25	162.5°	60.0°
H24	C17	C18	H26	77.5°	180.0°
H25	C18	C19	H50	148.8°	60.0°
H25	C18	C19	H51	28.8°	179.9°
H26	C18	C19	H50	91.1°	179.9°
H26	C18	C19	H51	148.8°	60.0°
H27	C7	C8	H29	167.3°	60.0°
H27	C7	C8	H30	47.4°	NaN°
H27	C7	C30	H41	167.3°	60.0°
H27	C7	C30	H42	47.3°	180.0°
H28	C7	C8	H29	72.7°	180.0°
H28	C7	C8	H30	167.4°	60.0°
H28	C7	C30	H41	47.3°	180.0°
H28	C7	C30	H42	72.7°	60.0°
H31	C12	C13	H33	165.1°	180.0°
H31	C12	C13	H34	74.9°	60.1°
H32	C12	C13	H33	45.4°	60.0°
H32	C12	C13	H34	165.4°	180.0°
H35	C10	C11	H36	176.1°	65.0°
H35	C10	C11	H37	64.1°	175.0°
H35	C10	C24	H52	151.7°	175.0°
H35	C10	C24	H53	88.3°	65.0°
HN21	N2	C2	H56	59.7°	60.1°
HN22	N2	C2	H56	179.8°	63.8°
HO6	O6	C6	H3	60.0°	60.1°
HO6	O6	C6	H2	60.1°	60.0°
HO4	O4	C4	H4	60.0°	60.2°
HO3	O3	C3	H46	59.3°	60.3°
H47	O13	C33	H63	62.6°	63.9°
H48	O14	C34	H64	59.8°	60.1°
H49	O15	C35	H65	130.6°	59.9°
H54	C25	C26	H55	163.7°	179.9°
H54	C25	C36	H66	61.0°	59.9°
H55	C26	C33	H63	157.9°	180.0°
H1	C1	C2	H56	50.1°	57.7°
H5	C5	C6	H3	95.3°	173.9°
H5	C5	C6	H2	24.7°	66.1°
H5	C5	C4	H4	167.7°	177.7°
H4	C4	C3	H46	178.3°	177.1°
H46	C3	C2	H56	177.4°	177.2°
H63	C33	C34	H64	170.2°	180.0°
H64	C34	C35	H65	171.7°	180.0°
H65	C35	C36	H66	73.2°	60.0°
H67	C38	C39	H69	43.9°	179.9°
H67	C38	C39	H70	76.0°	60.0°
H68	C38	C39	H69	76.0°	60.0°
H68	C38	C39	H70	164.2°	179.9°
H69	C39	C40	H71	115.1°	180.0°
H69	C39	C40	H72	5.0°	60.0°
H70	C39	C40	H71	125.2°	60.0°
H70	C39	C40	H72	114.8°	180.0°
H71	C40	C41	H73	53.1°	180.0°
H71	C40	C41	H74	66.8°	60.0°
H72	C40	C41	H73	173.1°	60.0°
H72	C40	C41	H74	53.3°	180.0°
H73	C41	C42	H75	87.5°	180.0°
H73	C41	C42	H76	152.5°	60.0°
H74	C41	C42	H75	152.6°	60.1°
H74	C41	C42	H76	32.6°	180.0°
H75	C42	C43	H77	60.0°	60.0°
H75	C42	C43	H78	60.0°	180.0°
H75	C42	C43	H79	180.0°	60.0°
H76	C42	C43	H77	60.0°	60.0°
H76	C42	C43	H78	180.0°	60.0°
H76	C42	C43	H79	60.0°	179.9°
H77	C43	H78	H79	120.0°	120.0°

Release date:	2026-04-08
Definition date:	2025-04-07
Last modified:	2026-04-03
Release status:	REL
Processing site:	PDBC
Derived from:	9UB7