A1L1F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O55	C54	doub	1.21Å	0.00Å
O9	C11	sing	1.43Å	0.00Å
C54	C56	sing	1.51Å	0.00Å
C54	O7	sing	1.34Å	0.00Å
C4	C11	sing	1.53Å	0.00Å
C4	C8	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C11	C1	sing	1.51Å	0.00Å
O7	C8	sing	1.45Å	0.00Å
C8	C3	sing	1.53Å	0.00Å
C12	C6	sing	1.53Å	0.00Å
C1	C6	sing	1.51Å	0.00Å
C1	C57	doub	1.31Å	0.00Å
C3	C6	sing	1.53Å	0.00Å
C6	C5	sing	1.53Å	0.00Å
C57	C2	doub	1.31Å	0.00Å
C2	C44	sing	1.34Å	0.00Å
C44	C43	sing	1.51Å	0.00Å
C44	C42	doub	1.42Å	0.00Å
C42	C41	sing	1.36Å	0.00Å
C41	C40	doub	1.40Å	0.00Å
C40	C39	sing	1.38Å	0.00Å
C39	C38	doub	1.39Å	0.00Å
C39	C28	sing	1.51Å	0.00Å
C38	C37	sing	1.39Å	0.00Å
C37	C36	doub	1.39Å	0.00Å
C36	C35	sing	1.39Å	0.00Å
C27	C34	sing	1.51Å	0.00Å
C35	C34	doub	1.39Å	0.00Å
C34	C33	sing	1.40Å	0.00Å
C33	C32	doub	1.38Å	0.00Å
O46	C45	doub	1.21Å	0.00Å
C32	C31	sing	1.40Å	0.00Å
C45	C47	sing	1.51Å	0.00Å
C45	O13	sing	1.34Å	0.00Å
C26	O13	sing	1.45Å	0.00Å
C26	C30	sing	1.51Å	0.00Å
C31	C30	doub	1.36Å	0.00Å
C47	C48	sing	1.53Å	0.00Å
C30	C29	sing	1.42Å	0.00Å
C48	C49	sing	1.53Å	0.00Å
C49	C50	sing	1.53Å	0.00Å
C29	C14	doub	1.34Å	0.00Å
C14	C25	sing	1.51Å	0.00Å
C50	C51	sing	1.53Å	0.00Å
C51	C52	sing	1.53Å	0.00Å
C17	C20	sing	1.53Å	0.00Å
C52	C53	sing	1.53Å	0.00Å
C25	C20	sing	1.52Å	0.00Å
C25	O15	sing	1.44Å	0.00Å
C25	C24	sing	1.52Å	0.00Å
C20	O15	sing	1.42Å	0.00Å
C20	C21	sing	1.52Å	0.00Å
C19	C24	sing	1.53Å	0.00Å
C24	C18	sing	1.53Å	0.00Å
C24	C23	sing	1.53Å	0.00Å
C21	C22	sing	1.53Å	0.00Å
C23	C22	sing	1.53Å	0.00Å
C22	O16	sing	1.43Å	0.00Å
C8	H1	sing	1.09Å	0.00Å
C5	H2	sing	1.09Å	0.00Å
C5	H3	sing	1.09Å	0.00Å
C5	H4	sing	1.09Å	0.00Å
C4	H5	sing	1.09Å	0.00Å
C4	H6	sing	1.09Å	0.00Å
C10	H7	sing	1.09Å	0.00Å
C10	H8	sing	1.09Å	0.00Å
C10	H9	sing	1.09Å	0.00Å
C2	H10	sing	1.08Å	0.00Å
C3	H11	sing	1.09Å	0.00Å
C3	H12	sing	1.09Å	0.00Å
C12	H13	sing	1.09Å	0.00Å
C12	H14	sing	1.09Å	0.00Å
C12	H15	sing	1.09Å	0.00Å
C14	H16	sing	1.08Å	0.00Å
C17	H17	sing	1.09Å	0.00Å
C17	H18	sing	1.09Å	0.00Å
C17	H19	sing	1.09Å	0.00Å
C18	H20	sing	1.09Å	0.00Å
C18	H21	sing	1.09Å	0.00Å
C18	H22	sing	1.09Å	0.00Å
C19	H23	sing	1.09Å	0.00Å
C19	H24	sing	1.09Å	0.00Å
C19	H25	sing	1.09Å	0.00Å
C21	H26	sing	1.09Å	0.00Å
C21	H27	sing	1.09Å	0.00Å
C22	H28	sing	1.09Å	0.00Å
C23	H29	sing	1.09Å	0.00Å
C23	H30	sing	1.09Å	0.00Å
C26	H31	sing	1.09Å	0.00Å
C26	H32	sing	1.09Å	0.00Å
C27	H33	sing	1.09Å	0.00Å
C27	H34	sing	1.09Å	0.00Å
C27	H35	sing	1.09Å	0.00Å
C28	H36	sing	1.09Å	0.00Å
C28	H37	sing	1.09Å	0.00Å
C28	H38	sing	1.09Å	0.00Å
C29	H39	sing	1.08Å	0.00Å
C31	H40	sing	1.08Å	0.00Å
C32	H41	sing	1.08Å	0.00Å
C33	H42	sing	1.08Å	0.00Å
C35	H43	sing	1.08Å	0.00Å
C36	H44	sing	1.08Å	0.00Å
C37	H45	sing	1.08Å	0.00Å
C38	H46	sing	1.08Å	0.00Å
C40	H47	sing	1.08Å	0.00Å
C41	H48	sing	1.08Å	0.00Å
C42	H49	sing	1.08Å	0.00Å
C43	H50	sing	1.09Å	0.00Å
C43	H51	sing	1.09Å	0.00Å
C43	H52	sing	1.09Å	0.00Å
C47	H53	sing	1.09Å	0.00Å
C47	H54	sing	1.09Å	0.00Å
C48	H55	sing	1.09Å	0.00Å
C48	H56	sing	1.09Å	0.00Å
C49	H57	sing	1.09Å	0.00Å
C49	H58	sing	1.09Å	0.00Å
C50	H59	sing	1.09Å	0.00Å
C50	H60	sing	1.09Å	0.00Å
C51	H61	sing	1.09Å	0.00Å
C51	H62	sing	1.09Å	0.00Å
C52	H63	sing	1.09Å	0.00Å
C52	H64	sing	1.09Å	0.00Å
C53	H65	sing	1.09Å	0.00Å
C53	H66	sing	1.09Å	0.00Å
C53	H67	sing	1.09Å	0.00Å
C56	H68	sing	1.09Å	0.00Å
C56	H69	sing	1.09Å	0.00Å
C56	H70	sing	1.09Å	0.00Å
O16	H71	sing	0.97Å	0.00Å
O9	H72	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O55	C54	C56	90.0°	120.0°
O55	C54	O7	90.0°	120.0°
O9	C11	C4	90.0°	109.6°
O9	C11	C10	90.0°	109.6°
O9	C11	C1	90.0°	109.8°
C11	O9	H72	90.0°	114.0°
C56	C54	O7	90.0°	120.0°
C54	C56	H68	90.0°	109.5°
C54	C56	H69	90.0°	109.5°
C54	C56	H70	90.0°	109.5°
C54	O7	C8	90.0°	117.0°
C11	C4	C8	90.0°	109.4°
C4	C11	C10	90.0°	109.6°
C4	C11	C1	90.0°	108.5°
C11	C4	H5	90.0°	109.5°
C11	C4	H6	90.0°	109.4°
C4	C8	O7	90.0°	109.3°
C4	C8	C3	90.0°	109.8°
C4	C8	H1	90.0°	109.4°
C8	C4	H5	90.0°	109.5°
C8	C4	H6	90.0°	109.5°
C10	C11	C1	90.0°	109.6°
C11	C10	H7	90.0°	109.5°
C11	C10	H8	90.0°	109.5°
C11	C10	H9	90.0°	109.5°
C11	C1	C6	90.0°	118.3°
C11	C1	C57	90.0°	120.9°
O7	C8	C3	90.0°	109.4°
O7	C8	H1	90.0°	109.4°
C8	C3	C6	90.0°	109.4°
C3	C8	H1	90.0°	109.5°
C8	C3	H11	90.0°	109.5°
C8	C3	H12	90.0°	109.5°
C12	C6	C1	90.0°	109.8°
C12	C6	C3	90.0°	109.6°
C12	C6	C5	90.0°	109.6°
C6	C12	H13	90.0°	109.5°
C6	C12	H14	90.0°	109.5°
C6	C12	H15	90.0°	109.5°
C6	C1	C57	90.0°	120.8°
C1	C6	C3	90.0°	108.5°
C1	C6	C5	90.0°	109.7°
C1	C57	C2	90.0°	180.0°
C3	C6	C5	90.0°	109.6°
C6	C3	H11	90.0°	109.4°
C6	C3	H12	90.0°	109.5°
C6	C5	H2	90.0°	109.5°
C6	C5	H3	90.0°	109.5°
C6	C5	H4	90.0°	109.5°
C57	C2	C44	90.0°	120.0°
C57	C2	H10	90.0°	120.0°
C2	C44	C43	90.0°	120.0°
C2	C44	C42	90.0°	120.0°
C44	C2	H10	90.0°	120.0°
C43	C44	C42	90.0°	120.0°
C44	C43	H50	90.0°	109.5°
C44	C43	H51	90.0°	109.5°
C44	C43	H52	90.0°	109.5°
C44	C42	C41	90.0°	120.0°
C44	C42	H49	90.0°	120.0°
C42	C41	C40	90.0°	120.0°
C42	C41	H48	90.0°	120.0°
C41	C42	H49	90.0°	120.0°
C41	C40	C39	90.0°	120.0°
C41	C40	H47	90.0°	119.9°
C40	C41	H48	90.0°	120.0°
C40	C39	C38	90.0°	120.0°
C40	C39	C28	90.0°	120.0°
C39	C40	H47	90.0°	120.0°
C38	C39	C28	90.0°	120.0°
C39	C38	C37	90.0°	120.0°
C39	C38	H46	90.0°	120.0°
C39	C28	H36	90.0°	109.5°
C39	C28	H37	90.0°	109.5°
C39	C28	H38	90.0°	109.5°
C38	C37	C36	90.0°	120.0°
C38	C37	H45	90.0°	120.0°
C37	C38	H46	90.0°	120.0°
C37	C36	C35	90.0°	120.0°
C37	C36	H44	90.0°	120.0°
C36	C37	H45	90.0°	120.0°
C36	C35	C34	90.0°	120.0°
C36	C35	H43	90.0°	120.0°
C35	C36	H44	90.0°	120.0°
C27	C34	C35	90.0°	120.0°
C27	C34	C33	90.0°	120.0°
C34	C27	H33	90.0°	109.5°
C34	C27	H34	90.0°	109.4°
C34	C27	H35	90.0°	109.4°
C35	C34	C33	90.0°	120.0°
C34	C35	H43	90.0°	120.0°
C34	C33	C32	90.0°	120.0°
C34	C33	H42	90.0°	120.0°
C33	C32	C31	90.0°	120.0°
C33	C32	H41	90.0°	119.9°
C32	C33	H42	90.0°	120.0°
O46	C45	C47	90.0°	120.0°
O46	C45	O13	90.0°	120.0°
C32	C31	C30	90.0°	120.0°
C32	C31	H40	90.0°	120.0°
C31	C32	H41	90.0°	120.1°
C47	C45	O13	90.0°	120.0°
C45	C47	C48	90.0°	109.5°
C45	C47	H53	90.0°	109.5°
C45	C47	H54	90.0°	109.4°
C45	O13	C26	90.0°	117.0°
O13	C26	C30	90.0°	109.4°
O13	C26	H31	90.0°	109.5°
O13	C26	H32	90.0°	109.5°
C26	C30	C31	90.0°	120.0°
C26	C30	C29	90.0°	120.0°
C30	C26	H31	90.0°	109.5°
C30	C26	H32	90.0°	109.5°
C31	C30	C29	90.0°	120.0°
C30	C31	H40	90.0°	120.0°
C47	C48	C49	90.0°	109.5°
C48	C47	H53	90.0°	109.4°
C48	C47	H54	90.0°	109.5°
C47	C48	H55	90.0°	109.4°
C47	C48	H56	90.0°	109.5°
C30	C29	C14	90.0°	120.0°
C30	C29	H39	90.0°	120.0°
C48	C49	C50	90.0°	109.5°
C49	C48	H55	90.0°	109.5°
C49	C48	H56	90.0°	109.5°
C48	C49	H57	90.0°	109.5°
C48	C49	H58	90.0°	109.5°
C49	C50	C51	90.0°	109.5°
C50	C49	H57	90.0°	109.4°
C50	C49	H58	90.0°	109.5°
C49	C50	H59	90.0°	109.5°
C49	C50	H60	90.0°	109.5°
C29	C14	C25	90.0°	120.0°
C29	C14	H16	90.0°	120.0°
C14	C29	H39	90.0°	120.0°
C14	C25	C20	90.0°	117.4°
C14	C25	O15	90.0°	117.4°
C14	C25	C24	90.0°	115.6°
C25	C14	H16	90.0°	120.0°
C50	C51	C52	90.0°	109.5°
C51	C50	H59	90.0°	109.5°
C51	C50	H60	90.0°	109.4°
C50	C51	H61	90.0°	109.4°
C50	C51	H62	90.0°	109.4°
C51	C52	C53	90.0°	109.4°
C52	C51	H61	90.0°	109.5°
C52	C51	H62	90.0°	109.5°
C51	C52	H63	90.0°	109.5°
C51	C52	H64	90.0°	109.5°
C17	C20	C25	90.0°	116.3°
C17	C20	O15	90.0°	116.3°
C17	C20	C21	90.0°	114.8°
C20	C17	H17	90.0°	109.5°
C20	C17	H18	90.0°	109.5°
C20	C17	H19	90.0°	109.5°
C53	C52	H63	90.0°	109.5°
C53	C52	H64	90.0°	109.5°
C52	C53	H65	90.0°	109.4°
C52	C53	H66	90.0°	109.5°
C52	C53	H67	90.0°	109.5°
C20	C25	O15	90.0°	57.3°
C20	C25	C24	90.0°	121.2°
C25	C20	O15	90.0°	58.3°
C25	C20	C21	90.0°	119.4°
O15	C25	C24	90.0°	114.9°
C25	O15	C20	90.0°	64.3°
C25	C24	C19	90.0°	109.1°
C25	C24	C18	90.0°	110.0°
C25	C24	C23	90.0°	109.7°
O15	C20	C21	90.0°	120.2°
C20	C21	C22	90.0°	110.5°
C20	C21	H26	90.0°	109.2°
C20	C21	H27	90.0°	109.3°
C19	C24	C18	90.0°	109.4°
C19	C24	C23	90.0°	109.3°
C24	C19	H23	90.0°	109.5°
C24	C19	H24	90.0°	109.5°
C24	C19	H25	90.0°	109.5°
C18	C24	C23	90.0°	109.4°
C24	C18	H20	90.0°	109.5°
C24	C18	H21	90.0°	109.5°
C24	C18	H22	90.0°	109.4°
C24	C23	C22	90.0°	108.6°
C24	C23	H29	90.0°	109.6°
C24	C23	H30	90.0°	109.8°
C21	C22	C23	90.0°	108.6°
C21	C22	O16	90.0°	109.6°
C22	C21	H26	90.0°	109.3°
C22	C21	H27	90.0°	109.3°
C21	C22	H28	90.0°	109.6°
C23	C22	O16	90.0°	109.6°
C23	C22	H28	90.0°	109.7°
C22	C23	H29	90.0°	109.6°
C22	C23	H30	90.0°	109.6°
O16	C22	H28	90.0°	109.6°
C22	O16	H71	90.0°	114.0°
H2	C5	H3	90.0°	109.4°
H2	C5	H4	90.0°	109.5°
H3	C5	H4	90.0°	109.4°
H5	C4	H6	90.0°	109.5°
H7	C10	H8	90.0°	109.5°
H7	C10	H9	90.0°	109.5°
H8	C10	H9	90.0°	109.4°
H11	C3	H12	90.0°	109.5°
H13	C12	H14	90.0°	109.4°
H13	C12	H15	90.0°	109.4°
H14	C12	H15	90.0°	109.4°
H17	C17	H18	90.0°	109.4°
H17	C17	H19	90.0°	109.4°
H18	C17	H19	90.0°	109.5°
H20	C18	H21	90.0°	109.5°
H20	C18	H22	90.0°	109.4°
H21	C18	H22	90.0°	109.5°
H23	C19	H24	90.0°	109.5°
H23	C19	H25	90.0°	109.5°
H24	C19	H25	90.0°	109.4°
H26	C21	H27	90.0°	109.3°
H29	C23	H30	90.0°	109.6°
H31	C26	H32	90.0°	109.5°
H33	C27	H34	90.0°	109.5°
H33	C27	H35	90.0°	109.5°
H34	C27	H35	90.0°	109.5°
H36	C28	H37	90.0°	109.4°
H36	C28	H38	90.0°	109.5°
H37	C28	H38	90.0°	109.5°
H50	C43	H51	90.0°	109.4°
H50	C43	H52	90.0°	109.5°
H51	C43	H52	90.0°	109.5°
H53	C47	H54	90.0°	109.5°
H55	C48	H56	90.0°	109.4°
H57	C49	H58	90.0°	109.5°
H59	C50	H60	90.0°	109.4°
H61	C51	H62	90.0°	109.5°
H63	C52	H64	90.0°	109.5°
H65	C53	H66	90.0°	109.5°
H65	C53	H67	90.0°	109.5°
H66	C53	H67	90.0°	109.5°
H68	C56	H69	90.0°	109.5°
H68	C56	H70	90.0°	109.4°
H69	C56	H70	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O55	C54	C56	O7	90.0°	180.0°
O55	C54	O7	C8	90.0°	0.0°
O55	C54	C56	H68	90.0°	90.1°
O55	C54	C56	H69	90.0°	30.0°
O55	C54	C56	H70	90.0°	150.0°
O9	C11	C4	C10	90.0°	120.4°
O9	C11	C4	C1	90.0°	119.9°
O9	C11	C4	C8	90.0°	65.3°
O9	C11	C10	C1	90.0°	120.6°
O9	C11	C1	C6	90.0°	68.5°
O9	C11	C1	C57	90.0°	111.5°
O9	C11	C4	H5	90.0°	174.7°
O9	C11	C4	H6	90.0°	54.7°
O9	C11	C10	H7	90.0°	60.4°
O9	C11	C10	H8	90.0°	59.6°
O9	C11	C10	H9	90.0°	179.6°
C56	C54	O7	C8	90.0°	180.0°
C54	C56	H68	H69	90.0°	120.0°
C54	C56	H68	H70	90.0°	120.0°
C54	C56	H69	H70	90.0°	120.0°
C54	O7	C8	C4	90.0°	89.7°
C54	O7	C8	C3	90.0°	150.0°
C54	O7	C8	H1	90.0°	30.1°
O7	C54	C56	H68	90.0°	89.9°
O7	C54	C56	H69	90.0°	150.0°
O7	C54	C56	H70	90.0°	30.0°
C11	C4	C8	H5	90.0°	120.0°
C11	C4	C8	H6	90.0°	119.9°
C4	C11	C10	C1	90.0°	119.0°
C11	C4	C8	O7	90.0°	176.3°
C11	C4	C8	C3	90.0°	63.6°
C4	C11	C1	C6	90.0°	51.3°
C4	C11	C1	C57	90.0°	128.7°
C11	C4	C8	H1	90.0°	56.5°
C11	C4	H5	H6	90.0°	119.9°
C4	C11	C10	H7	90.0°	60.0°
C4	C11	C10	H8	90.0°	180.0°
C4	C11	C10	H9	90.0°	60.0°
C4	C11	O9	H72	90.0°	60.0°
C8	C4	C11	C10	90.0°	174.3°
C8	C4	C11	C1	90.0°	54.6°
C4	C8	O7	C3	90.0°	120.3°
C4	C8	O7	H1	90.0°	119.8°
C4	C8	C3	H1	90.0°	120.1°
C4	C8	C3	C6	90.0°	63.6°
C8	C4	H5	H6	90.0°	120.1°
C4	C8	C3	H11	90.0°	176.4°
C4	C8	C3	H12	90.0°	56.4°
C10	C11	C1	C6	90.0°	171.1°
C10	C11	C1	C57	90.0°	9.0°
C10	C11	C4	H5	90.0°	54.3°
C10	C11	C4	H6	90.0°	65.6°
C11	C10	H7	H8	90.0°	120.0°
C11	C10	H7	H9	90.0°	120.0°
C11	C10	H8	H9	90.0°	120.0°
C10	C11	O9	H72	90.0°	60.3°
C11	C1	C6	C12	90.0°	68.4°
C11	C1	C6	C57	90.0°	180.0°
C11	C1	C6	C3	90.0°	51.4°
C11	C1	C6	C5	90.0°	171.1°
C11	C1	C57	C2	90.0°	117.5°
C1	C11	C4	H5	90.0°	65.4°
C1	C11	C4	H6	90.0°	174.6°
C1	C11	C10	H7	90.0°	179.0°
C1	C11	C10	H8	90.0°	60.9°
C1	C11	C10	H9	90.0°	59.0°
C1	C11	O9	H72	90.0°	179.2°
O7	C8	C3	H1	90.0°	119.9°
O7	C8	C3	C6	90.0°	176.3°
O7	C8	C4	H5	90.0°	63.7°
O7	C8	C4	H6	90.0°	56.4°
O7	C8	C3	H11	90.0°	56.4°
O7	C8	C3	H12	90.0°	63.6°
C8	C3	C6	C12	90.0°	65.2°
C8	C3	C6	C1	90.0°	54.7°
C8	C3	C6	H11	90.0°	119.9°
C8	C3	C6	H12	90.0°	120.1°
C8	C3	C6	C5	90.0°	174.4°
C3	C8	C4	H5	90.0°	56.4°
C3	C8	C4	H6	90.0°	176.4°
C8	C3	H11	H12	90.0°	120.1°
C12	C6	C1	C3	90.0°	119.8°
C12	C6	C1	C5	90.0°	120.5°
C12	C6	C1	C57	90.0°	111.5°
C12	C6	C3	C5	90.0°	120.4°
C12	C6	C5	H2	90.0°	179.6°
C12	C6	C5	H3	90.0°	59.7°
C12	C6	C5	H4	90.0°	60.4°
C12	C6	C3	H11	90.0°	54.7°
C12	C6	C3	H12	90.0°	174.7°
C6	C12	H13	H14	90.0°	120.0°
C6	C12	H13	H15	90.0°	120.0°
C6	C12	H14	H15	90.0°	120.0°
C1	C6	C3	C5	90.0°	119.7°
C6	C1	C57	C2	90.0°	62.5°
C1	C6	C5	H2	90.0°	59.0°
C1	C6	C5	H3	90.0°	60.9°
C1	C6	C5	H4	90.0°	179.1°
C1	C6	C3	H11	90.0°	174.6°
C1	C6	C3	H12	90.0°	65.4°
C1	C6	C12	H13	90.0°	60.5°
C1	C6	C12	H14	90.0°	59.5°
C1	C6	C12	H15	90.0°	179.5°
C57	C1	C6	C3	90.0°	128.7°
C57	C1	C6	C5	90.0°	9.0°
C1	C57	C2	C44	90.0°	27.6°
C1	C57	C2	H10	90.0°	152.5°
C6	C3	C8	H1	90.0°	56.4°
C3	C6	C5	H2	90.0°	60.0°
C3	C6	C5	H3	90.0°	180.0°
C3	C6	C5	H4	90.0°	60.0°
C6	C3	H11	H12	90.0°	120.0°
C3	C6	C12	H13	90.0°	179.6°
C3	C6	C12	H14	90.0°	59.6°
C3	C6	C12	H15	90.0°	60.4°
C6	C5	H2	H3	90.0°	120.0°
C6	C5	H2	H4	90.0°	120.0°
C6	C5	H3	H4	90.0°	120.1°
C5	C6	C3	H11	90.0°	65.7°
C5	C6	C3	H12	90.0°	54.3°
C5	C6	C12	H13	90.0°	60.0°
C5	C6	C12	H14	90.0°	180.0°
C5	C6	C12	H15	90.0°	60.0°
C57	C2	C44	H10	90.0°	179.9°
C57	C2	C44	C43	90.0°	0.1°
C57	C2	C44	C42	90.0°	180.0°
C2	C44	C43	C42	90.0°	179.9°
C2	C44	C42	C41	90.0°	179.9°
C2	C44	C42	H49	90.0°	0.0°
C2	C44	C43	H50	90.0°	90.1°
C2	C44	C43	H51	90.0°	150.0°
C2	C44	C43	H52	90.0°	29.9°
C43	C44	C42	C41	90.0°	0.0°
C43	C44	C2	H10	90.0°	180.0°
C43	C44	C42	H49	90.0°	180.0°
C44	C43	H50	H51	90.0°	120.0°
C44	C43	H50	H52	90.0°	120.0°
C44	C43	H51	H52	90.0°	120.0°
C44	C42	C41	H49	90.0°	180.0°
C44	C42	C41	C40	90.0°	180.0°
C42	C44	C2	H10	90.0°	0.0°
C44	C42	C41	H48	90.0°	0.0°
C42	C44	C43	H50	90.0°	90.0°
C42	C44	C43	H51	90.0°	29.9°
C42	C44	C43	H52	90.0°	150.0°
C42	C41	C40	H48	90.0°	180.0°
C42	C41	C40	C39	90.0°	180.0°
C42	C41	C40	H47	90.0°	0.0°
C41	C40	C39	H47	90.0°	180.0°
C41	C40	C39	C38	90.0°	180.0°
C41	C40	C39	C28	90.0°	0.0°
C40	C41	C42	H49	90.0°	0.0°
C40	C39	C38	C28	90.0°	179.9°
C40	C39	C38	C37	90.0°	180.0°
C40	C39	C28	H36	90.0°	89.9°
C40	C39	C28	H37	90.0°	30.0°
C40	C39	C28	H38	90.0°	150.0°
C40	C39	C38	H46	90.0°	0.0°
C39	C40	C41	H48	90.0°	0.0°
C39	C38	C37	H46	90.0°	180.0°
C39	C38	C37	C36	90.0°	180.0°
C38	C39	C28	H36	90.0°	90.0°
C38	C39	C28	H37	90.0°	150.1°
C38	C39	C28	H38	90.0°	30.0°
C39	C38	C37	H45	90.0°	0.1°
C38	C39	C40	H47	90.0°	0.0°
C28	C39	C38	C37	90.0°	0.1°
C39	C28	H36	H37	90.0°	120.0°
C39	C28	H36	H38	90.0°	120.1°
C39	C28	H37	H38	90.0°	120.0°
C28	C39	C38	H46	90.0°	180.0°
C28	C39	C40	H47	90.0°	180.0°
C38	C37	C36	H45	90.0°	179.9°
C38	C37	C36	C35	90.0°	180.0°
C38	C37	C36	H44	90.0°	0.0°
C37	C36	C35	H44	90.0°	180.0°
C37	C36	C35	C34	90.0°	180.0°
C37	C36	C35	H43	90.0°	0.0°
C36	C37	C38	H46	90.0°	0.0°
C36	C35	C34	C27	90.0°	0.0°
C36	C35	C34	H43	90.0°	180.0°
C36	C35	C34	C33	90.0°	180.0°
C35	C36	C37	H45	90.0°	0.0°
C27	C34	C35	C33	90.0°	180.0°
C27	C34	C33	C32	90.0°	0.0°
C34	C27	H33	H34	90.0°	120.0°
C34	C27	H33	H35	90.0°	120.0°
C34	C27	H34	H35	90.0°	119.9°
C27	C34	C33	H42	90.0°	180.0°
C27	C34	C35	H43	90.0°	180.0°
C35	C34	C33	C32	90.0°	179.9°
C35	C34	C27	H33	90.0°	90.0°
C35	C34	C27	H34	90.0°	30.0°
C35	C34	C27	H35	90.0°	150.0°
C35	C34	C33	H42	90.0°	0.0°
C34	C35	C36	H44	90.0°	0.0°
C34	C33	C32	H42	90.0°	179.9°
C34	C33	C32	C31	90.0°	180.0°
C33	C34	C27	H33	90.0°	90.0°
C33	C34	C27	H34	90.0°	150.0°
C33	C34	C27	H35	90.0°	30.0°
C34	C33	C32	H41	90.0°	0.1°
C33	C34	C35	H43	90.0°	0.0°
C33	C32	C31	H41	90.0°	179.9°
C33	C32	C31	C30	90.0°	174.6°
C33	C32	C31	H40	90.0°	5.4°
O46	C45	C47	O13	90.0°	179.9°
O46	C45	O13	C26	90.0°	0.1°
O46	C45	C47	C48	90.0°	0.1°
O46	C45	C47	H53	90.0°	119.9°
O46	C45	C47	H54	90.0°	120.1°
C32	C31	C30	C26	90.0°	6.2°
C32	C31	C30	H40	90.0°	180.0°
C32	C31	C30	C29	90.0°	173.8°
C31	C32	C33	H42	90.0°	0.1°
C47	C45	O13	C26	90.0°	180.0°
C45	C47	C48	H53	90.0°	120.0°
C45	C47	C48	H54	90.0°	120.0°
C45	C47	C48	C49	90.0°	180.0°
C45	C47	H53	H54	90.0°	119.9°
C45	C47	C48	H55	90.0°	60.0°
C45	C47	C48	H56	90.0°	60.0°
C45	O13	C26	C30	90.0°	180.0°
O13	C45	C47	C48	90.0°	180.0°
C45	O13	C26	H31	90.0°	60.0°
C45	O13	C26	H32	90.0°	60.0°
O13	C45	C47	H53	90.0°	60.0°
O13	C45	C47	H54	90.0°	60.0°
O13	C26	C30	H31	90.0°	120.0°
O13	C26	C30	H32	90.0°	120.0°
O13	C26	C30	C31	90.0°	116.6°
O13	C26	C30	C29	90.0°	63.4°
O13	C26	H31	H32	90.0°	120.0°
C26	C30	C31	C29	90.0°	180.0°
C26	C30	C29	C14	90.0°	0.0°
C30	C26	H31	H32	90.0°	120.0°
C26	C30	C29	H39	90.0°	180.0°
C26	C30	C31	H40	90.0°	173.8°
C31	C30	C29	C14	90.0°	180.0°
C31	C30	C26	H31	90.0°	3.4°
C31	C30	C26	H32	90.0°	123.4°
C31	C30	C29	H39	90.0°	0.0°
C30	C31	C32	H41	90.0°	5.3°
C47	C48	C49	H55	90.0°	120.0°
C47	C48	C49	H56	90.0°	120.0°
C47	C48	C49	C50	90.0°	180.0°
C48	C47	H53	H54	90.0°	120.0°
C47	C48	H55	H56	90.0°	119.9°
C47	C48	C49	H57	90.0°	60.0°
C47	C48	C49	H58	90.0°	60.0°
C30	C29	C14	H39	90.0°	179.9°
C30	C29	C14	C25	90.0°	180.0°
C30	C29	C14	H16	90.0°	0.1°
C29	C30	C26	H31	90.0°	176.6°
C29	C30	C26	H32	90.0°	56.6°
C29	C30	C31	H40	90.0°	6.2°
C48	C49	C50	H57	90.0°	120.0°
C48	C49	C50	H58	90.0°	120.0°
C48	C49	C50	C51	90.0°	180.0°
C49	C48	C47	H53	90.0°	60.0°
C49	C48	C47	H54	90.0°	60.0°
C49	C48	H55	H56	90.0°	120.1°
C48	C49	H57	H58	90.0°	120.0°
C48	C49	C50	H59	90.0°	60.0°
C48	C49	C50	H60	90.0°	60.0°
C49	C50	C51	H59	90.0°	120.1°
C49	C50	C51	H60	90.0°	120.1°
C49	C50	C51	C52	90.0°	180.0°
C50	C49	C48	H55	90.0°	60.0°
C50	C49	C48	H56	90.0°	60.0°
C50	C49	H57	H58	90.0°	120.0°
C49	C50	H59	H60	90.0°	120.0°
C49	C50	C51	H61	90.0°	60.0°
C49	C50	C51	H62	90.0°	60.0°
C29	C14	C25	H16	90.0°	179.9°
C29	C14	C25	C20	90.0°	120.0°
C29	C14	C25	O15	90.0°	54.6°
C29	C14	C25	C24	90.0°	86.3°
C14	C25	C20	C17	90.0°	0.5°
C14	C25	C20	O15	90.0°	106.5°
C14	C25	C20	C24	90.0°	152.1°
C14	C25	O15	C24	90.0°	141.2°
C14	C25	C20	C21	90.0°	144.3°
C14	C25	C24	C19	90.0°	9.4°
C14	C25	C24	C18	90.0°	110.7°
C14	C25	C24	C23	90.0°	129.0°
C25	C14	C29	H39	90.0°	0.1°
C50	C51	C52	H61	90.0°	120.0°
C50	C51	C52	H62	90.0°	120.0°
C50	C51	C52	C53	90.0°	180.0°
C51	C50	C49	H57	90.0°	60.0°
C51	C50	C49	H58	90.0°	60.0°
C51	C50	H59	H60	90.0°	119.9°
C50	C51	H61	H62	90.0°	119.9°
C50	C51	C52	H63	90.0°	60.0°
C50	C51	C52	H64	90.0°	60.0°
C51	C52	C53	H63	90.0°	120.0°
C51	C52	C53	H64	90.0°	119.9°
C52	C51	C50	H59	90.0°	59.9°
C52	C51	C50	H60	90.0°	60.0°
C52	C51	H61	H62	90.0°	120.1°
C51	C52	H63	H64	90.0°	120.0°
C51	C52	C53	H65	90.0°	180.0°
C51	C52	C53	H66	90.0°	60.0°
C51	C52	C53	H67	90.0°	60.1°
C17	C20	C25	O15	90.0°	106.0°
C17	C20	C25	C21	90.0°	144.7°
C17	C20	C25	C24	90.0°	152.6°
C17	C20	O15	C21	90.0°	146.0°
C17	C20	C21	C22	90.0°	168.3°
C20	C17	H17	H18	90.0°	120.1°
C20	C17	H17	H19	90.0°	120.0°
C20	C17	H18	H19	90.0°	120.0°
C17	C20	C21	H26	90.0°	71.4°
C17	C20	C21	H27	90.0°	48.0°
C53	C52	C51	H61	90.0°	60.0°
C53	C52	C51	H62	90.0°	60.0°
C53	C52	H63	H64	90.0°	120.0°
C52	C53	H65	H66	90.0°	120.0°
C52	C53	H65	H67	90.0°	120.0°
C52	C53	H66	H67	90.0°	120.0°
C20	C25	O15	C24	90.0°	112.3°
C25	C20	O15	C21	90.0°	108.0°
C20	C25	C24	C19	90.0°	143.2°
C20	C25	C24	C18	90.0°	96.8°
C20	C25	C24	C23	90.0°	23.5°
C25	C20	C21	C22	90.0°	23.1°
C20	C25	C14	H16	90.0°	60.1°
C25	C20	C17	H17	90.0°	57.3°
C25	C20	C17	H18	90.0°	62.7°
C25	C20	C17	H19	90.0°	177.2°
C25	C20	C21	H26	90.0°	143.3°
C25	C20	C21	H27	90.0°	97.2°
O15	C25	C24	C19	90.0°	151.3°
O15	C25	C24	C18	90.0°	31.3°
O15	C25	C24	C23	90.0°	89.1°
O15	C25	C14	H16	90.0°	125.5°
C24	C25	C20	C21	90.0°	7.8°
C25	C24	C19	C18	90.0°	120.4°
C25	C24	C19	C23	90.0°	119.9°
C25	C24	C18	C23	90.0°	120.5°
C25	C24	C23	C22	90.0°	55.2°
C24	C25	C14	H16	90.0°	93.6°
C25	C24	C18	H20	90.0°	59.8°
C25	C24	C18	H21	90.0°	60.2°
C25	C24	C18	H22	90.0°	179.7°
C25	C24	C19	H23	90.0°	179.6°
C25	C24	C19	H24	90.0°	59.6°
C25	C24	C19	H25	90.0°	60.3°
C25	C24	C23	H29	90.0°	174.9°
C25	C24	C23	H30	90.0°	64.6°
O15	C20	C21	C22	90.0°	45.2°
O15	C20	C17	H17	90.0°	8.6°
O15	C20	C17	H18	90.0°	128.6°
O15	C20	C17	H19	90.0°	111.4°
O15	C20	C21	H26	90.0°	75.0°
O15	C20	C21	H27	90.0°	165.5°
C20	C21	C22	H26	90.0°	120.2°
C20	C21	C22	H27	90.0°	120.3°
C20	C21	C22	C23	90.0°	55.0°
C20	C21	C22	O16	90.0°	174.8°
C21	C20	C17	H17	90.0°	156.3°
C21	C20	C17	H18	90.0°	83.7°
C21	C20	C17	H19	90.0°	36.4°
C20	C21	H26	H27	90.0°	119.5°
C20	C21	C22	H28	90.0°	64.8°
C19	C24	C18	C23	90.0°	119.7°
C19	C24	C23	C22	90.0°	174.8°
C19	C24	C18	H20	90.0°	60.0°
C19	C24	C18	H21	90.0°	180.0°
C19	C24	C18	H22	90.0°	59.9°
C24	C19	H23	H24	90.0°	120.0°
C24	C19	H23	H25	90.0°	120.0°
C24	C19	H24	H25	90.0°	120.0°
C19	C24	C23	H29	90.0°	65.5°
C19	C24	C23	H30	90.0°	54.9°
C18	C24	C23	C22	90.0°	65.5°
C24	C18	H20	H21	90.0°	120.0°
C24	C18	H20	H22	90.0°	119.9°
C24	C18	H21	H22	90.0°	120.0°
C18	C24	C19	H23	90.0°	60.0°
C18	C24	C19	H24	90.0°	180.0°
C18	C24	C19	H25	90.0°	60.0°
C18	C24	C23	H29	90.0°	54.2°
C18	C24	C23	H30	90.0°	174.7°
C24	C23	C22	C21	90.0°	74.3°
C24	C23	C22	H29	90.0°	119.7°
C24	C23	C22	H30	90.0°	119.9°
C24	C23	C22	O16	90.0°	165.9°
C23	C24	C18	H20	90.0°	179.7°
C23	C24	C18	H21	90.0°	60.3°
C23	C24	C18	H22	90.0°	59.8°
C23	C24	C19	H23	90.0°	59.8°
C23	C24	C19	H24	90.0°	60.3°
C23	C24	C19	H25	90.0°	179.8°
C24	C23	C22	H28	90.0°	45.5°
C24	C23	H29	H30	90.0°	120.6°
C21	C22	C23	O16	90.0°	119.8°
C21	C22	C23	H28	90.0°	119.8°
C21	C22	O16	H28	90.0°	120.4°
C22	C21	H26	H27	90.0°	119.5°
C21	C22	C23	H29	90.0°	166.0°
C21	C22	C23	H30	90.0°	45.6°
C21	C22	O16	H71	90.0°	60.0°
C23	C22	O16	H28	90.0°	120.5°
C23	C22	C21	H26	90.0°	175.3°
C23	C22	C21	H27	90.0°	65.2°
C22	C23	H29	H30	90.0°	120.3°
C23	C22	O16	H71	90.0°	179.2°
O16	C22	C21	H26	90.0°	65.0°
O16	C22	C21	H27	90.0°	54.5°
O16	C22	C23	H29	90.0°	46.2°
O16	C22	C23	H30	90.0°	74.1°
H1	C8	C4	H5	90.0°	176.5°
H1	C8	C4	H6	90.0°	63.4°
H1	C8	C3	H11	90.0°	63.5°
H1	C8	C3	H12	90.0°	176.5°
H2	C5	H3	H4	90.0°	120.0°
H7	C10	H8	H9	90.0°	120.0°
H13	C12	H14	H15	90.0°	119.9°
H16	C14	C29	H39	90.0°	NaN°
H17	C17	H18	H19	90.0°	119.9°
H20	C18	H21	H22	90.0°	120.0°
H23	C19	H24	H25	90.0°	120.0°
H26	C21	C22	H28	90.0°	55.4°
H27	C21	C22	H28	90.0°	174.9°
H28	C22	C23	H29	90.0°	74.2°
H28	C22	C23	H30	90.0°	165.4°
H28	C22	O16	H71	90.0°	60.4°
H33	C27	H34	H35	90.0°	120.0°
H36	C28	H37	H38	90.0°	120.0°
H40	C31	C32	H41	90.0°	174.7°
H41	C32	C33	H42	90.0°	180.0°
H43	C35	C36	H44	90.0°	180.0°
H44	C36	C37	H45	90.0°	179.9°
H45	C37	C38	H46	90.0°	179.9°
H47	C40	C41	H48	90.0°	180.0°
H48	C41	C42	H49	90.0°	180.0°
H50	C43	H51	H52	90.0°	120.0°
H53	C47	C48	H55	90.0°	180.0°
H53	C47	C48	H56	90.0°	60.1°
H54	C47	C48	H55	90.0°	60.0°
H54	C47	C48	H56	90.0°	179.9°
H55	C48	C49	H57	90.0°	180.0°
H55	C48	C49	H58	90.0°	60.0°
H56	C48	C49	H57	90.0°	60.0°
H56	C48	C49	H58	90.0°	180.0°
H57	C49	C50	H59	90.0°	180.0°
H57	C49	C50	H60	90.0°	60.0°
H58	C49	C50	H59	90.0°	60.0°
H58	C49	C50	H60	90.0°	180.0°
H59	C50	C51	H61	90.0°	180.0°
H59	C50	C51	H62	90.0°	60.1°
H60	C50	C51	H61	90.0°	60.1°
H60	C50	C51	H62	90.0°	180.0°
H61	C51	C52	H63	90.0°	180.0°
H61	C51	C52	H64	90.0°	59.9°
H62	C51	C52	H63	90.0°	60.0°
H62	C51	C52	H64	90.0°	180.0°
H63	C52	C53	H65	90.0°	60.0°
H63	C52	C53	H66	90.0°	180.0°
H63	C52	C53	H67	90.0°	59.9°
H64	C52	C53	H65	90.0°	60.1°
H64	C52	C53	H66	90.0°	59.9°
H64	C52	C53	H67	90.0°	180.0°
H65	C53	H66	H67	90.0°	120.0°
H68	C56	H69	H70	90.0°	120.0°

Release date:	2025-12-03
Definition date:	2024-05-03
Last modified:	2025-11-28
Release status:	REL
Processing site:	PDBJ