A1L1G

Bonds

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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C22	C21	90.0°	109.6°
O16	C22	C23	90.0°	109.6°
O16	C22	H27	90.0°	109.7°
C22	O16	H54	90.0°	114.0°
C22	C21	C20	90.0°	110.5°
C21	C22	C23	90.0°	108.6°
C22	C21	H25	90.0°	109.3°
C22	C21	H26	90.0°	109.3°
C21	C22	H27	90.0°	109.6°
C21	C20	C17	90.0°	114.9°
C21	C20	O15	90.0°	120.1°
C21	C20	C25	90.0°	119.5°
C20	C21	H25	90.0°	109.2°
C20	C21	H26	90.0°	109.2°
C22	C23	C24	90.0°	108.5°
C23	C22	H27	90.0°	109.7°
C22	C23	H28	90.0°	109.6°
C22	C23	H29	90.0°	109.6°
C17	C20	O15	90.0°	116.3°
C17	C20	C25	90.0°	116.3°
C20	C17	H16	90.0°	109.5°
C20	C17	H17	90.0°	109.5°
C20	C17	H18	90.0°	109.5°
O15	C20	C25	90.0°	58.3°
C20	O15	C25	90.0°	64.3°
C20	C25	O15	90.0°	57.4°
C20	C25	C24	90.0°	121.1°
C20	C25	C14	90.0°	117.5°
C23	C24	C25	90.0°	109.7°
C23	C24	C19	90.0°	109.3°
C23	C24	C18	90.0°	109.3°
C24	C23	H28	90.0°	109.6°
C24	C23	H29	90.0°	109.6°
O15	C25	C24	90.0°	114.9°
O15	C25	C14	90.0°	117.5°
C24	C25	C14	90.0°	115.6°
C25	C24	C19	90.0°	110.2°
C25	C24	C18	90.0°	109.0°
C25	C14	C29	90.0°	120.0°
C25	C14	H15	90.0°	120.0°
C19	C24	C18	90.0°	109.4°
C24	C19	H22	90.0°	109.5°
C24	C19	H23	90.0°	109.4°
C24	C19	H24	90.0°	109.4°
C24	C18	H19	90.0°	109.4°
C24	C18	H20	90.0°	109.5°
C24	C18	H21	90.0°	109.5°
C14	C29	C30	90.0°	120.0°
C29	C14	H15	90.0°	120.0°
C14	C29	H38	90.0°	120.0°
C29	C30	C31	90.0°	120.0°
C29	C30	C26	90.0°	120.0°
C30	C29	H38	90.0°	120.0°
C31	C30	C26	90.0°	120.0°
C30	C31	C32	90.0°	120.0°
C30	C31	H39	90.0°	120.0°
C30	C26	O13	90.0°	109.5°
C30	C26	H30	90.0°	109.5°
C30	C26	H31	90.0°	109.5°
O13	C26	H30	90.0°	109.5°
O13	C26	H31	90.0°	109.5°
C26	O13	H53	90.0°	113.9°
C31	C32	C33	90.0°	120.0°
C32	C31	H39	90.0°	120.1°
C31	C32	H40	90.0°	120.0°
C32	C33	C34	90.0°	120.1°
C33	C32	H40	90.0°	120.0°
C32	C33	H41	90.0°	119.9°
C33	C34	C35	90.0°	120.0°
C33	C34	C27	90.0°	120.0°
C34	C33	H41	90.0°	120.0°
C35	C34	C27	90.0°	120.0°
C34	C35	C36	90.0°	120.0°
C34	C35	H42	90.0°	120.0°
C34	C27	H32	90.0°	109.5°
C34	C27	H33	90.0°	109.5°
C34	C27	H34	90.0°	109.5°
C35	C36	C37	90.0°	120.0°
C36	C35	H42	90.0°	120.0°
C35	C36	H43	90.0°	120.0°
C28	C39	C38	90.0°	120.0°
C28	C39	C40	90.0°	120.0°
C39	C28	H35	90.0°	109.5°
C39	C28	H36	90.0°	109.5°
C39	C28	H37	90.0°	109.4°
C36	C37	C38	90.0°	120.0°
C37	C36	H43	90.0°	120.0°
C36	C37	H44	90.0°	120.0°
C37	C38	C39	90.0°	120.0°
C38	C37	H44	90.0°	120.0°
C37	C38	H45	90.0°	120.1°
C38	C39	C40	90.0°	120.0°
C39	C38	H45	90.0°	119.9°
C39	C40	C41	90.0°	120.0°
C39	C40	H46	90.0°	120.0°
C40	C41	C42	90.0°	120.0°
C41	C40	H46	90.0°	120.0°
C40	C41	H47	90.0°	120.0°
C41	C42	C44	90.0°	120.0°
C42	C41	H47	90.0°	120.0°
C41	C42	H48	90.0°	120.0°
C43	C44	C42	90.0°	120.1°
C43	C44	C2	90.0°	120.0°
C44	C43	H49	90.0°	109.5°
C44	C43	H50	90.0°	109.5°
C44	C43	H51	90.0°	109.5°
C42	C44	C2	90.0°	120.0°
C44	C42	H48	90.0°	120.0°
C44	C2	C45	90.0°	120.0°
C44	C2	H8	90.0°	120.0°
C2	C45	C1	90.0°	NaN°
C45	C2	H8	90.0°	120.0°
C45	C1	C11	90.0°	120.9°
C45	C1	C6	90.0°	120.8°
C10	C11	C1	90.0°	109.6°
C10	C11	O9	90.0°	109.6°
C10	C11	C4	90.0°	109.6°
C11	C10	H9	90.0°	109.4°
C11	C10	H10	90.0°	109.4°
C11	C10	H11	90.0°	109.5°
C11	C1	C6	90.0°	118.3°
C1	C11	O9	90.0°	109.6°
C1	C11	C4	90.0°	108.6°
C1	C6	C12	90.0°	109.6°
C1	C6	C5	90.0°	109.6°
C1	C6	C3	90.0°	108.5°
C12	C6	C5	90.0°	109.6°
C12	C6	C3	90.0°	109.6°
C6	C12	H12	90.0°	109.5°
C6	C12	H13	90.0°	109.5°
C6	C12	H14	90.0°	109.4°
O9	C11	C4	90.0°	109.8°
C11	O9	H56	90.0°	114.0°
C11	C4	C8	90.0°	109.4°
C11	C4	H4	90.0°	109.5°
C11	C4	H5	90.0°	109.5°
C5	C6	C3	90.0°	109.8°
C6	C5	H1	90.0°	109.5°
C6	C5	H2	90.0°	109.5°
C6	C5	H3	90.0°	109.4°
C6	C3	C8	90.0°	109.4°
C6	C3	H6	90.0°	109.5°
C6	C3	H7	90.0°	109.5°
C4	C8	C3	90.0°	109.8°
C4	C8	O7	90.0°	109.4°
C8	C4	H4	90.0°	109.4°
C8	C4	H5	90.0°	109.5°
C4	C8	H52	90.0°	109.4°
C3	C8	O7	90.0°	109.4°
C8	C3	H6	90.0°	109.5°
C8	C3	H7	90.0°	109.5°
C3	C8	H52	90.0°	109.4°
O7	C8	H52	90.0°	109.4°
C8	O7	H55	90.0°	114.0°
H1	C5	H2	90.0°	109.5°
H1	C5	H3	90.0°	109.4°
H2	C5	H3	90.0°	109.5°
H4	C4	H5	90.0°	109.5°
H6	C3	H7	90.0°	109.5°
H9	C10	H10	90.0°	109.5°
H9	C10	H11	90.0°	109.5°
H10	C10	H11	90.0°	109.5°
H12	C12	H13	90.0°	109.5°
H12	C12	H14	90.0°	109.5°
H13	C12	H14	90.0°	109.5°
H16	C17	H17	90.0°	109.5°
H16	C17	H18	90.0°	109.5°
H17	C17	H18	90.0°	109.4°
H19	C18	H20	90.0°	109.5°
H19	C18	H21	90.0°	109.5°
H20	C18	H21	90.0°	109.5°
H22	C19	H23	90.0°	109.5°
H22	C19	H24	90.0°	109.5°
H23	C19	H24	90.0°	109.5°
H25	C21	H26	90.0°	109.2°
H28	C23	H29	90.0°	109.8°
H30	C26	H31	90.0°	109.4°
H32	C27	H33	90.0°	109.5°
H32	C27	H34	90.0°	109.4°
H33	C27	H34	90.0°	109.5°
H35	C28	H36	90.0°	109.5°
H35	C28	H37	90.0°	109.4°
H36	C28	H37	90.0°	109.5°
H49	C43	H50	90.0°	109.5°
H49	C43	H51	90.0°	109.4°
H50	C43	H51	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C22	C21	C23	90.0°	119.7°
O16	C22	C21	H27	90.0°	120.5°
O16	C22	C21	C20	90.0°	174.8°
O16	C22	C23	H27	90.0°	120.5°
O16	C22	C23	C24	90.0°	166.0°
O16	C22	C21	H25	90.0°	65.0°
O16	C22	C21	H26	90.0°	54.5°
O16	C22	C23	H28	90.0°	46.3°
O16	C22	C23	H29	90.0°	74.3°
C22	C21	C20	H25	90.0°	120.3°
C22	C21	C20	H26	90.0°	120.3°
C21	C22	C23	H27	90.0°	119.8°
C22	C21	C20	C17	90.0°	168.4°
C22	C21	C20	O15	90.0°	45.2°
C22	C21	C20	C25	90.0°	23.1°
C21	C22	C23	C24	90.0°	74.3°
C22	C21	H25	H26	90.0°	119.6°
C21	C22	C23	H28	90.0°	166.0°
C21	C22	C23	H29	90.0°	45.4°
C21	C22	O16	H54	90.0°	60.1°
C20	C21	C22	C23	90.0°	55.1°
C21	C20	C17	O15	90.0°	147.7°
C21	C20	C17	C25	90.0°	146.4°
C21	C20	O15	C25	90.0°	108.1°
C21	C20	C25	C24	90.0°	7.8°
C21	C20	C25	C14	90.0°	144.3°
C21	C20	C17	H16	90.0°	156.4°
C21	C20	C17	H17	90.0°	83.6°
C21	C20	C17	H18	90.0°	36.3°
C20	C21	H25	H26	90.0°	119.4°
C20	C21	C22	H27	90.0°	64.7°
C22	C23	C24	H28	90.0°	119.7°
C22	C23	C24	H29	90.0°	119.7°
C22	C23	C24	C25	90.0°	55.2°
C22	C23	C24	C19	90.0°	65.7°
C22	C23	C24	C18	90.0°	174.6°
C23	C22	C21	H25	90.0°	175.3°
C23	C22	C21	H26	90.0°	65.2°
C22	C23	H28	H29	90.0°	120.5°
C23	C22	O16	H54	90.0°	179.2°
C17	C20	O15	C25	90.0°	106.0°
C17	C20	C25	C24	90.0°	152.6°
C17	C20	C25	C14	90.0°	0.5°
C20	C17	H16	H17	90.0°	120.0°
C20	C17	H16	H18	90.0°	120.0°
C20	C17	H17	H18	90.0°	120.0°
C17	C20	C21	H25	90.0°	71.4°
C17	C20	C21	H26	90.0°	48.0°
O15	C20	C25	C24	90.0°	101.4°
O15	C20	C25	C14	90.0°	106.5°
O15	C20	C17	H16	90.0°	8.6°
O15	C20	C17	H17	90.0°	128.6°
O15	C20	C17	H18	90.0°	111.4°
O15	C20	C21	H25	90.0°	75.0°
O15	C20	C21	H26	90.0°	165.6°
C20	C25	C24	C23	90.0°	23.5°
C20	C25	C24	C14	90.0°	152.6°
C20	C25	C24	C19	90.0°	96.9°
C20	C25	C24	C18	90.0°	143.2°
C20	C25	C14	C29	90.0°	120.0°
C20	C25	C14	H15	90.0°	60.0°
C25	C20	C17	H16	90.0°	57.2°
C25	C20	C17	H17	90.0°	62.8°
C25	C20	C17	H18	90.0°	177.3°
C25	C20	C21	H25	90.0°	143.4°
C25	C20	C21	H26	90.0°	97.2°
C23	C24	C25	O15	90.0°	89.0°
C23	C24	C25	C19	90.0°	120.4°
C23	C24	C25	C18	90.0°	119.6°
C23	C24	C25	C14	90.0°	129.1°
C23	C24	C19	C18	90.0°	119.7°
C23	C24	C18	H19	90.0°	60.0°
C23	C24	C18	H20	90.0°	180.0°
C23	C24	C18	H21	90.0°	60.0°
C23	C24	C19	H22	90.0°	60.0°
C23	C24	C19	H23	90.0°	180.0°
C23	C24	C19	H24	90.0°	60.1°
C24	C23	C22	H27	90.0°	45.5°
C24	C23	H28	H29	90.0°	120.5°
O15	C25	C24	C14	90.0°	141.8°
O15	C25	C24	C19	90.0°	31.4°
O15	C25	C24	C18	90.0°	151.3°
O15	C25	C14	C29	90.0°	54.5°
O15	C25	C14	H15	90.0°	125.5°
C25	C24	C19	C18	90.0°	119.7°
C24	C25	C14	C29	90.0°	86.3°
C24	C25	C14	H15	90.0°	93.6°
C25	C24	C18	H19	90.0°	59.9°
C25	C24	C18	H20	90.0°	60.1°
C25	C24	C18	H21	90.0°	179.8°
C25	C24	C19	H22	90.0°	179.4°
C25	C24	C19	H23	90.0°	59.4°
C25	C24	C19	H24	90.0°	60.6°
C25	C24	C23	H28	90.0°	174.9°
C25	C24	C23	H29	90.0°	64.5°
C14	C25	C24	C19	90.0°	110.5°
C14	C25	C24	C18	90.0°	9.5°
C25	C14	C29	H15	90.0°	180.0°
C25	C14	C29	C30	90.0°	180.0°
C25	C14	C29	H38	90.0°	0.0°
C19	C24	C18	H19	90.0°	179.7°
C19	C24	C18	H20	90.0°	60.3°
C19	C24	C18	H21	90.0°	59.7°
C24	C19	H22	H23	90.0°	120.0°
C24	C19	H22	H24	90.0°	120.0°
C24	C19	H23	H24	90.0°	120.0°
C19	C24	C23	H28	90.0°	54.0°
C19	C24	C23	H29	90.0°	174.6°
C24	C18	H19	H20	90.0°	120.0°
C24	C18	H19	H21	90.0°	120.0°
C24	C18	H20	H21	90.0°	120.1°
C18	C24	C19	H22	90.0°	59.7°
C18	C24	C19	H23	90.0°	60.3°
C18	C24	C19	H24	90.0°	179.7°
C18	C24	C23	H28	90.0°	65.6°
C18	C24	C23	H29	90.0°	54.9°
C14	C29	C30	H38	90.0°	179.9°
C14	C29	C30	C31	90.0°	180.0°
C14	C29	C30	C26	90.0°	0.0°
C29	C30	C31	C26	90.0°	180.0°
C29	C30	C26	O13	90.0°	63.4°
C29	C30	C31	C32	90.0°	173.8°
C30	C29	C14	H15	90.0°	0.1°
C29	C30	C26	H30	90.0°	176.6°
C29	C30	C26	H31	90.0°	56.7°
C29	C30	C31	H39	90.0°	6.2°
C31	C30	C26	O13	90.0°	116.7°
C30	C31	C32	H39	90.0°	180.0°
C30	C31	C32	C33	90.0°	174.7°
C31	C30	C26	H30	90.0°	3.3°
C31	C30	C26	H31	90.0°	123.3°
C31	C30	C29	H38	90.0°	0.1°
C30	C31	C32	H40	90.0°	5.3°
C30	C26	O13	H30	90.0°	120.0°
C30	C26	O13	H31	90.0°	120.0°
C26	C30	C31	C32	90.0°	6.2°
C30	C26	H30	H31	90.0°	120.0°
C26	C30	C29	H38	90.0°	180.0°
C26	C30	C31	H39	90.0°	173.8°
C30	C26	O13	H53	90.0°	180.0°
O13	C26	H30	H31	90.0°	120.0°
C31	C32	C33	H40	90.0°	179.9°
C31	C32	C33	C34	90.0°	180.0°
C31	C32	C33	H41	90.0°	0.0°
C32	C33	C34	H41	90.0°	180.0°
C32	C33	C34	C35	90.0°	180.0°
C32	C33	C34	C27	90.0°	0.1°
C33	C32	C31	H39	90.0°	5.3°
C33	C34	C35	C27	90.0°	180.0°
C33	C34	C35	C36	90.0°	179.9°
C33	C34	C27	H32	90.0°	90.0°
C33	C34	C27	H33	90.0°	150.0°
C33	C34	C27	H34	90.0°	30.0°
C34	C33	C32	H40	90.0°	0.1°
C33	C34	C35	H42	90.0°	0.0°
C34	C35	C36	H42	90.0°	180.0°
C34	C35	C36	C37	90.0°	180.0°
C35	C34	C27	H32	90.0°	90.0°
C35	C34	C27	H33	90.0°	30.0°
C35	C34	C27	H34	90.0°	150.0°
C35	C34	C33	H41	90.0°	0.0°
C34	C35	C36	H43	90.0°	0.1°
C27	C34	C35	C36	90.0°	0.0°
C34	C27	H32	H33	90.0°	120.0°
C34	C27	H32	H34	90.0°	120.0°
C34	C27	H33	H34	90.0°	120.0°
C27	C34	C33	H41	90.0°	180.0°
C27	C34	C35	H42	90.0°	180.0°
C35	C36	C37	H43	90.0°	179.9°
C35	C36	C37	C38	90.0°	180.0°
C35	C36	C37	H44	90.0°	0.1°
C28	C39	C38	C37	90.0°	0.0°
C28	C39	C38	C40	90.0°	180.0°
C28	C39	C40	C41	90.0°	0.0°
C39	C28	H35	H36	90.0°	120.1°
C39	C28	H35	H37	90.0°	119.9°
C39	C28	H36	H37	90.0°	120.0°
C28	C39	C38	H45	90.0°	180.0°
C28	C39	C40	H46	90.0°	180.0°
C36	C37	C38	H44	90.0°	179.9°
C36	C37	C38	C39	90.0°	180.0°
C37	C36	C35	H42	90.0°	0.1°
C36	C37	C38	H45	90.0°	0.1°
C37	C38	C39	H45	90.0°	179.9°
C37	C38	C39	C40	90.0°	180.0°
C38	C37	C36	H43	90.0°	0.1°
C38	C39	C40	C41	90.0°	180.0°
C38	C39	C28	H35	90.0°	90.0°
C38	C39	C28	H36	90.0°	150.0°
C38	C39	C28	H37	90.0°	30.0°
C39	C38	C37	H44	90.0°	0.1°
C38	C39	C40	H46	90.0°	0.0°
C39	C40	C41	H46	90.0°	180.0°
C39	C40	C41	C42	90.0°	179.9°
C40	C39	C28	H35	90.0°	90.0°
C40	C39	C28	H36	90.0°	30.1°
C40	C39	C28	H37	90.0°	150.0°
C40	C39	C38	H45	90.0°	0.0°
C39	C40	C41	H47	90.0°	0.0°
C40	C41	C42	H47	90.0°	179.9°
C40	C41	C42	C44	90.0°	180.0°
C40	C41	C42	H48	90.0°	0.1°
C41	C42	C44	C43	90.0°	0.1°
C41	C42	C44	H48	90.0°	179.9°
C41	C42	C44	C2	90.0°	180.0°
C42	C41	C40	H46	90.0°	0.0°
C43	C44	C42	C2	90.0°	179.9°
C43	C44	C2	C45	90.0°	0.0°
C43	C44	C2	H8	90.0°	180.0°
C43	C44	C42	H48	90.0°	180.0°
C44	C43	H49	H50	90.0°	120.1°
C44	C43	H49	H51	90.0°	119.9°
C44	C43	H50	H51	90.0°	120.0°
C42	C44	C2	C45	90.0°	180.0°
C42	C44	C2	H8	90.0°	0.0°
C44	C42	C41	H47	90.0°	0.1°
C42	C44	C43	H49	90.0°	90.0°
C42	C44	C43	H50	90.0°	149.9°
C42	C44	C43	H51	90.0°	29.9°
C44	C2	C45	H8	90.0°	180.0°
C44	C2	C45	C1	90.0°	5.7°
C2	C44	C42	H48	90.0°	0.1°
C2	C44	C43	H49	90.0°	90.1°
C2	C44	C43	H50	90.0°	30.0°
C2	C44	C43	H51	90.0°	150.0°
C2	C45	C1	C11	90.0°	85.0°
C2	C45	C1	C6	90.0°	94.8°
C45	C1	C11	C10	90.0°	9.2°
C45	C1	C11	C6	90.0°	179.8°
C45	C1	C6	C12	90.0°	9.2°
C45	C1	C11	O9	90.0°	111.2°
C45	C1	C11	C4	90.0°	128.9°
C45	C1	C6	C5	90.0°	111.2°
C45	C1	C6	C3	90.0°	128.9°
C1	C45	C2	H8	90.0°	90.0°
C10	C11	C1	O9	90.0°	120.4°
C10	C11	C1	C4	90.0°	119.7°
C10	C11	C1	C6	90.0°	171.0°
C10	C11	O9	C4	90.0°	120.5°
C10	C11	C4	C8	90.0°	174.3°
C10	C11	C4	H4	90.0°	65.7°
C10	C11	C4	H5	90.0°	54.3°
C11	C10	H9	H10	90.0°	119.9°
C11	C10	H9	H11	90.0°	120.0°
C11	C10	H10	H11	90.0°	120.0°
C10	C11	O9	H56	90.0°	59.7°
C11	C1	C6	C12	90.0°	171.1°
C1	C11	O9	C4	90.0°	119.2°
C11	C1	C6	C5	90.0°	68.6°
C11	C1	C6	C3	90.0°	51.3°
C1	C11	C4	C8	90.0°	54.7°
C1	C11	C4	H4	90.0°	174.6°
C1	C11	C4	H5	90.0°	65.3°
C1	C11	C10	H9	90.0°	60.0°
C1	C11	C10	H10	90.0°	180.0°
C1	C11	C10	H11	90.0°	60.0°
C1	C11	O9	H56	90.0°	180.0°
C1	C6	C12	C5	90.0°	120.4°
C1	C6	C12	C3	90.0°	119.1°
C6	C1	C11	O9	90.0°	68.6°
C6	C1	C11	C4	90.0°	51.4°
C1	C6	C5	C3	90.0°	119.1°
C1	C6	C3	C8	90.0°	54.6°
C1	C6	C5	H1	90.0°	60.0°
C1	C6	C5	H2	90.0°	180.0°
C1	C6	C5	H3	90.0°	60.0°
C1	C6	C3	H6	90.0°	65.4°
C1	C6	C3	H7	90.0°	174.6°
C1	C6	C12	H12	90.0°	60.0°
C1	C6	C12	H13	90.0°	180.0°
C1	C6	C12	H14	90.0°	60.0°
C12	C6	C5	C3	90.0°	120.5°
C12	C6	C3	C8	90.0°	174.4°
C12	C6	C5	H1	90.0°	179.6°
C12	C6	C5	H2	90.0°	59.6°
C12	C6	C5	H3	90.0°	60.4°
C12	C6	C3	H6	90.0°	54.4°
C12	C6	C3	H7	90.0°	65.7°
C6	C12	H12	H13	90.0°	120.1°
C6	C12	H12	H14	90.0°	119.9°
C6	C12	H13	H14	90.0°	120.0°
O9	C11	C4	C8	90.0°	65.2°
O9	C11	C4	H4	90.0°	54.7°
O9	C11	C4	H5	90.0°	174.8°
O9	C11	C10	H9	90.0°	179.6°
O9	C11	C10	H10	90.0°	59.6°
O9	C11	C10	H11	90.0°	60.4°
C11	C4	C8	H4	90.0°	120.0°
C11	C4	C8	H5	90.0°	120.0°
C11	C4	C8	C3	90.0°	63.6°
C11	C4	C8	O7	90.0°	176.3°
C11	C4	H4	H5	90.0°	120.1°
C4	C11	C10	H9	90.0°	59.0°
C4	C11	C10	H10	90.0°	61.0°
C4	C11	C10	H11	90.0°	179.0°
C11	C4	C8	H52	90.0°	56.5°
C4	C11	O9	H56	90.0°	60.8°
C5	C6	C3	C8	90.0°	65.2°
C6	C5	H1	H2	90.0°	120.0°
C6	C5	H1	H3	90.0°	119.9°
C6	C5	H2	H3	90.0°	120.0°
C5	C6	C3	H6	90.0°	174.8°
C5	C6	C3	H7	90.0°	54.8°
C5	C6	C12	H12	90.0°	60.4°
C5	C6	C12	H13	90.0°	59.6°
C5	C6	C12	H14	90.0°	179.6°
C6	C3	C8	C4	90.0°	63.6°
C6	C3	C8	H6	90.0°	120.0°
C6	C3	C8	H7	90.0°	120.0°
C6	C3	C8	O7	90.0°	176.3°
C3	C6	C5	H1	90.0°	59.1°
C3	C6	C5	H2	90.0°	60.9°
C3	C6	C5	H3	90.0°	179.1°
C6	C3	H6	H7	90.0°	120.0°
C3	C6	C12	H12	90.0°	179.0°
C3	C6	C12	H13	90.0°	60.9°
C3	C6	C12	H14	90.0°	59.1°
C6	C3	C8	H52	90.0°	56.5°
C4	C8	C3	O7	90.0°	120.1°
C4	C8	C3	H52	90.0°	120.1°
C4	C8	O7	H52	90.0°	119.8°
C8	C4	H4	H5	90.0°	120.0°
C4	C8	C3	H6	90.0°	56.4°
C4	C8	C3	H7	90.0°	176.4°
C4	C8	O7	H55	90.0°	60.1°
C3	C8	O7	H52	90.0°	119.9°
C3	C8	C4	H4	90.0°	176.4°
C3	C8	C4	H5	90.0°	56.4°
C8	C3	H6	H7	90.0°	120.0°
C3	C8	O7	H55	90.0°	179.6°
O7	C8	C4	H4	90.0°	56.3°
O7	C8	C4	H5	90.0°	63.7°
O7	C8	C3	H6	90.0°	63.7°
O7	C8	C3	H7	90.0°	56.3°
H1	C5	H2	H3	90.0°	120.0°
H4	C4	C8	H52	90.0°	63.5°
H5	C4	C8	H52	90.0°	176.5°
H6	C3	C8	H52	90.0°	176.5°
H7	C3	C8	H52	90.0°	63.5°
H9	C10	H10	H11	90.0°	120.1°
H12	C12	H13	H14	90.0°	120.0°
H15	C14	C29	H38	90.0°	180.0°
H16	C17	H17	H18	90.0°	120.0°
H19	C18	H20	H21	90.0°	120.0°
H22	C19	H23	H24	90.0°	120.1°
H25	C21	C22	H27	90.0°	55.5°
H26	C21	C22	H27	90.0°	175.0°
H27	C22	C23	H28	90.0°	74.2°
H27	C22	C23	H29	90.0°	165.2°
H27	C22	O16	H54	90.0°	60.4°
H30	C26	O13	H53	90.0°	60.0°
H31	C26	O13	H53	90.0°	60.0°
H32	C27	H33	H34	90.0°	120.0°
H35	C28	H36	H37	90.0°	120.0°
H39	C31	C32	H40	90.0°	174.6°
H40	C32	C33	H41	90.0°	179.9°
H42	C35	C36	H43	90.0°	180.0°
H43	C36	C37	H44	90.0°	180.0°
H44	C37	C38	H45	90.0°	180.0°
H46	C40	C41	H47	90.0°	179.9°
H47	C41	C42	H48	90.0°	180.0°
H49	C43	H50	H51	90.0°	119.9°
H52	C8	O7	H55	90.0°	59.8°

Release date:	2025-08-27
Definition date:	2024-05-03
Last modified:	2025-08-22
Release status:	REL
Processing site:	PDBJ