A1L42

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O17	C16	doub	1.21Å	1.18Å
O18	C16	sing	1.34Å	1.40Å
O18	C19	sing	1.45Å	1.40Å
C16	C15	sing	1.51Å	1.53Å
C41	O42	sing	1.43Å	1.40Å
C41	C19	sing	1.53Å	1.53Å
O51	C48	sing	1.43Å	1.40Å
O42	P43	sing	1.61Å	1.65Å
C15	C14	sing	1.53Å	1.53Å
C14	C13	sing	1.53Å	1.53Å
C19	C20	sing	1.53Å	1.53Å
C48	C47	sing	1.53Å	1.53Å
C48	C49	sing	1.53Å	1.53Å
O46	P43	sing	1.61Å	1.65Å
O46	C47	sing	1.43Å	1.40Å
C13	C12	sing	1.53Å	1.53Å
P43	O45	doub	1.48Å	1.51Å
P43	O44	sing	1.61Å	1.51Å
C20	O21	sing	1.45Å	1.40Å
O50	C49	sing	1.43Å	1.40Å
C12	C11	sing	1.53Å	1.53Å
O21	C22	sing	1.34Å	1.40Å
O23	C22	doub	1.21Å	1.18Å
C22	C24	sing	1.51Å	1.53Å
C24	C25	sing	1.53Å	1.53Å
C25	C26	sing	1.53Å	1.53Å
C26	C27	sing	1.53Å	1.53Å
C28	C27	sing	1.53Å	1.54Å
C28	C29	sing	1.53Å	1.54Å
C30	C29	sing	1.53Å	1.54Å
C30	C31	sing	1.53Å	1.54Å
C31	C32	sing	1.53Å	1.33Å
C32	C33	sing	1.53Å	1.54Å
C33	C34	sing	1.53Å	1.54Å
C34	C35	sing	1.53Å	1.54Å
C35	C36	sing	1.53Å	1.53Å
C36	C37	sing	1.53Å	1.53Å
C37	C38	sing	1.53Å	1.53Å
C38	C39	sing	1.53Å	1.53Å
C39	C40	sing	1.53Å	1.53Å
C48	H1	sing	1.09Å	1.10Å
C47	H2	sing	1.09Å	1.10Å
C47	H3	sing	1.09Å	1.10Å
C41	H4	sing	1.09Å	1.10Å
C41	H5	sing	1.09Å	1.10Å
C40	H6	sing	1.09Å	1.10Å
C40	H7	sing	1.09Å	1.10Å
C40	H8	sing	1.09Å	1.10Å
C39	H9	sing	1.09Å	1.10Å
C39	H10	sing	1.09Å	1.10Å
C38	H11	sing	1.09Å	1.10Å
C38	H12	sing	1.09Å	1.10Å
C37	H13	sing	1.09Å	1.10Å
C37	H14	sing	1.09Å	1.10Å
C36	H15	sing	1.09Å	1.10Å
C36	H16	sing	1.09Å	1.10Å
C35	H17	sing	1.09Å	1.10Å
C35	H18	sing	1.09Å	1.10Å
C34	H19	sing	1.09Å	1.10Å
C34	H20	sing	1.09Å	1.10Å
C33	H21	sing	1.09Å	1.10Å
C33	H22	sing	1.09Å	1.10Å
C32	H23	sing	1.09Å	1.10Å
C31	H24	sing	1.09Å	1.10Å
C11	H25	sing	1.09Å	1.10Å
C11	H26	sing	1.09Å	1.10Å
C12	H28	sing	1.09Å	1.10Å
C12	H29	sing	1.09Å	1.10Å
C13	H30	sing	1.09Å	1.10Å
C13	H31	sing	1.09Å	1.10Å
C14	H32	sing	1.09Å	1.10Å
C14	H33	sing	1.09Å	1.10Å
C15	H34	sing	1.09Å	1.10Å
C15	H35	sing	1.09Å	1.10Å
C19	H36	sing	1.09Å	1.10Å
C20	H37	sing	1.09Å	1.10Å
C20	H38	sing	1.09Å	1.10Å
C24	H39	sing	1.09Å	1.10Å
C24	H40	sing	1.09Å	1.10Å
C25	H41	sing	1.09Å	1.10Å
C25	H42	sing	1.09Å	1.10Å
C26	H43	sing	1.09Å	1.10Å
C26	H44	sing	1.09Å	1.10Å
C27	H45	sing	1.09Å	1.10Å
C27	H46	sing	1.09Å	1.10Å
C28	H47	sing	1.09Å	1.10Å
C28	H48	sing	1.09Å	1.10Å
C29	H49	sing	1.09Å	1.10Å
C29	H50	sing	1.09Å	1.10Å
C30	H51	sing	1.09Å	1.10Å
C30	H52	sing	1.09Å	1.10Å
C49	H53	sing	1.09Å	1.10Å
C49	H54	sing	1.09Å	1.10Å
O44	H55	sing	0.97Å	0.95Å
O50	H56	sing	0.97Å	0.95Å
O51	H57	sing	0.97Å	0.95Å
C11	C10	sing	1.53Å	194.27Å
C10	C9	sing	1.53Å	0.00Å
C9	C8	sing	1.53Å	0.00Å
C8	C07	sing	1.53Å	0.00Å
C07	C6	sing	1.53Å	0.00Å
C6	C5	sing	1.53Å	0.00Å
C5	C4	sing	1.53Å	0.00Å
C4	C3	sing	1.53Å	0.00Å
C3	C2	sing	1.53Å	0.00Å
C2	C1	sing	1.53Å	0.00Å
C10	H27	sing	1.09Å	0.00Å
C10	H58	sing	1.09Å	0.00Å
C9	H59	sing	1.09Å	0.00Å
C9	H60	sing	1.09Å	0.00Å
C8	H61	sing	1.09Å	0.00Å
C8	H62	sing	1.09Å	0.00Å
C07	H63	sing	1.09Å	0.00Å
C07	H64	sing	1.09Å	0.00Å
C6	H65	sing	1.09Å	0.00Å
C6	H66	sing	1.09Å	0.00Å
C5	H67	sing	1.09Å	0.00Å
C5	H68	sing	1.09Å	0.00Å
C4	H69	sing	1.09Å	0.00Å
C4	H70	sing	1.09Å	0.00Å
C3	H71	sing	1.09Å	0.00Å
C3	H72	sing	1.09Å	0.00Å
C2	H73	sing	1.09Å	0.00Å
C2	H74	sing	1.09Å	0.00Å
C1	H75	sing	1.09Å	0.00Å
C1	H76	sing	1.09Å	0.00Å
C1	H77	sing	1.09Å	0.00Å
C32	H78	sing	1.09Å	1.10Å
C31	H79	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O17	C16	O18	120.0°	119.9°
O17	C16	C15	120.0°	120.0°
C16	O18	C19	114.7°	117.0°
O18	C16	C15	120.0°	120.0°
O18	C19	C41	107.9°	109.5°
O18	C19	C20	107.8°	109.5°
O18	C19	H36	110.8°	109.5°
C16	C15	C14	112.2°	109.5°
C16	C15	H34	108.8°	109.5°
C16	C15	H35	108.8°	109.5°
O42	C41	C19	108.8°	109.5°
C41	O42	P43	118.9°	123.0°
O42	C41	H4	109.7°	109.5°
O42	C41	H5	109.6°	109.5°
C41	C19	C20	112.4°	109.4°
C19	C41	H4	109.6°	109.4°
C19	C41	H5	109.6°	109.5°
C41	C19	H36	109.0°	109.5°
O51	C48	C47	107.7°	109.5°
O51	C48	C49	108.0°	109.4°
O51	C48	H1	110.6°	109.5°
C48	O51	H57	109.5°	114.0°
O42	P43	O46	109.8°	109.4°
O42	P43	O45	109.6°	109.5°
O42	P43	O44	109.4°	109.5°
C15	C14	C13	112.5°	109.5°
C15	C14	H32	108.7°	109.4°
C15	C14	H33	108.7°	109.5°
C14	C15	H34	108.8°	109.5°
C14	C15	H35	108.8°	109.5°
C14	C13	C12	112.0°	109.5°
C14	C13	H30	108.9°	109.5°
C14	C13	H31	108.8°	109.5°
C13	C14	H32	108.7°	109.4°
C13	C14	H33	108.7°	109.5°
C19	C20	O21	109.0°	109.5°
C20	C19	H36	109.0°	109.5°
C19	C20	H37	109.6°	109.5°
C19	C20	H38	109.6°	109.5°
C47	C48	C49	112.9°	109.5°
C48	C47	O46	108.2°	109.4°
C47	C48	H1	108.8°	109.5°
C48	C47	H2	109.8°	109.5°
C48	C47	H3	109.8°	109.5°
C48	C49	O50	108.3°	109.5°
C49	C48	H1	108.8°	109.4°
C48	C49	H53	109.8°	109.4°
C48	C49	H54	109.8°	109.4°
P43	O46	C47	118.1°	123.0°
O46	P43	O45	109.2°	109.4°
O46	P43	O44	109.4°	109.5°
O46	C47	H2	109.8°	109.5°
O46	C47	H3	109.8°	109.4°
C13	C12	C11	112.5°	109.5°
C13	C12	H28	108.7°	109.5°
C13	C12	H29	108.7°	109.5°
C12	C13	H30	108.8°	109.4°
C12	C13	H31	108.8°	109.5°
O45	P43	O44	109.3°	109.5°
P43	O44	H55	109.5°	114.0°
C20	O21	C22	113.4°	117.0°
O21	C20	H37	109.6°	109.5°
O21	C20	H38	109.6°	109.4°
O50	C49	H53	109.7°	109.5°
O50	C49	H54	109.8°	109.5°
C49	O50	H56	109.5°	114.0°
C12	C11	H25	116.3°	109.5°
C12	C11	H26	116.3°	109.5°
C11	C12	H28	108.7°	109.4°
C11	C12	H29	108.7°	109.5°
C12	C11	C10	79.7°	109.5°
O21	C22	O23	119.9°	120.0°
O21	C22	C24	120.3°	120.0°
O23	C22	C24	119.8°	120.0°
C22	C24	C25	111.3°	109.5°
C22	C24	H39	109.0°	109.4°
C22	C24	H40	109.0°	109.5°
C24	C25	C26	111.8°	109.5°
C25	C24	H39	109.0°	109.5°
C25	C24	H40	109.0°	109.5°
C24	C25	H41	108.9°	109.4°
C24	C25	H42	108.9°	109.4°
C25	C26	C27	112.3°	109.5°
C26	C25	H41	108.9°	109.5°
C26	C25	H42	108.9°	109.5°
C25	C26	H43	108.7°	109.4°
C25	C26	H44	108.7°	109.4°
C26	C27	C28	111.8°	109.5°
C27	C26	H43	108.8°	109.5°
C27	C26	H44	108.8°	109.5°
C26	C27	H45	108.9°	109.5°
C26	C27	H46	108.9°	109.4°
C27	C28	C29	112.4°	109.5°
C28	C27	H45	108.9°	109.5°
C28	C27	H46	108.9°	109.5°
C27	C28	H47	108.8°	109.4°
C27	C28	H48	108.7°	109.4°
C28	C29	C30	112.0°	109.5°
C29	C28	H47	108.8°	109.5°
C29	C28	H48	108.8°	109.5°
C28	C29	H49	108.8°	109.4°
C28	C29	H50	108.8°	109.4°
C29	C30	C31	112.1°	109.4°
C30	C29	H49	108.9°	109.5°
C30	C29	H50	108.9°	109.5°
C29	C30	H51	108.8°	109.4°
C29	C30	H52	108.8°	109.4°
C30	C31	C32	119.9°	109.4°
C30	C31	H24	106.8°	109.4°
C31	C30	H51	108.8°	109.5°
C31	C30	H52	108.8°	109.5°
C30	C31	H79	106.8°	109.5°
C31	C32	C33	119.9°	109.5°
C31	C32	H23	106.8°	109.4°
C32	C31	H24	106.8°	109.5°
C31	C32	H78	106.8°	109.4°
C32	C31	H79	106.8°	109.5°
C32	C33	C34	112.1°	109.5°
C32	C33	H21	108.8°	109.5°
C32	C33	H22	108.8°	109.4°
C33	C32	H23	106.8°	109.5°
C33	C32	H78	106.8°	109.5°
C33	C34	C35	112.4°	109.5°
C33	C34	H19	108.7°	109.5°
C33	C34	H20	108.7°	109.4°
C34	C33	H21	108.8°	109.5°
C34	C33	H22	108.8°	109.5°
C34	C35	C36	111.9°	109.5°
C34	C35	H17	108.9°	109.4°
C34	C35	H18	108.9°	109.4°
C35	C34	H19	108.7°	109.5°
C35	C34	H20	108.7°	109.5°
C35	C36	C37	112.3°	109.5°
C35	C36	H15	108.8°	109.4°
C35	C36	H16	108.8°	109.4°
C36	C35	H17	108.8°	109.5°
C36	C35	H18	108.9°	109.5°
C36	C37	C38	112.4°	109.5°
C36	C37	H13	108.8°	109.4°
C36	C37	H14	108.7°	109.5°
C37	C36	H15	108.8°	109.5°
C37	C36	H16	108.7°	109.5°
C37	C38	C39	112.2°	109.5°
C37	C38	H11	108.8°	109.5°
C37	C38	H12	108.8°	109.4°
C38	C37	H13	108.7°	109.5°
C38	C37	H14	108.7°	109.5°
C38	C39	C40	112.2°	109.5°
C38	C39	H9	108.8°	109.5°
C38	C39	H10	108.8°	109.4°
C39	C38	H11	108.8°	109.5°
C39	C38	H12	108.8°	109.5°
C39	C40	H6	109.5°	109.4°
C39	C40	H7	109.5°	109.5°
C39	C40	H8	109.5°	109.4°
C40	C39	H9	108.8°	109.5°
C40	C39	H10	108.8°	109.5°
H2	C47	H3	109.5°	109.6°
H4	C41	H5	109.5°	109.5°
H6	C40	H7	109.5°	109.5°
H6	C40	H8	109.4°	109.5°
H7	C40	H8	109.5°	109.5°
H9	C39	H10	109.5°	109.5°
H11	C38	H12	109.5°	109.4°
H13	C37	H14	109.5°	109.5°
H15	C36	H16	109.5°	109.4°
H17	C35	H18	109.5°	109.5°
H19	C34	H20	109.5°	109.4°
H21	C33	H22	109.5°	109.4°
H23	C32	H78	109.4°	109.5°
H24	C31	H79	109.5°	109.5°
H25	C11	H26	109.5°	109.5°
H25	C11	C10	116.3°	109.5°
H26	C11	C10	116.3°	109.4°
H28	C12	H29	109.4°	109.4°
H30	C13	H31	109.5°	109.5°
H32	C14	H33	109.5°	109.5°
H34	C15	H35	109.5°	109.4°
H37	C20	H38	109.5°	109.5°
H39	C24	H40	109.5°	109.4°
H41	C25	H42	109.5°	109.5°
H43	C26	H44	109.5°	109.5°
H45	C27	H46	109.5°	109.5°
H47	C28	H48	109.4°	109.5°
H49	C29	H50	109.5°	109.5°
H51	C30	H52	109.5°	109.5°
H53	C49	H54	109.5°	109.5°
C11	C10	C9	90.0°	109.5°
C11	C10	H27	90.0°	109.5°
C11	C10	H58	90.0°	109.5°
C10	C9	C8	90.0°	109.5°
C9	C10	H27	90.0°	109.5°
C9	C10	H58	90.0°	109.4°
C10	C9	H59	90.0°	109.5°
C10	C9	H60	90.0°	109.4°
C9	C8	C07	90.0°	109.5°
C8	C9	H59	90.0°	109.5°
C8	C9	H60	90.0°	109.5°
C9	C8	H61	90.0°	109.5°
C9	C8	H62	90.0°	109.4°
C8	C07	C6	90.0°	109.5°
C07	C8	H61	90.0°	109.5°
C07	C8	H62	90.0°	109.5°
C8	C07	H63	90.0°	109.5°
C8	C07	H64	90.0°	109.4°
C07	C6	C5	90.0°	109.5°
C6	C07	H63	90.0°	109.5°
C6	C07	H64	90.0°	109.5°
C07	C6	H65	90.0°	109.5°
C07	C6	H66	90.0°	109.4°
C6	C5	C4	90.0°	109.5°
C5	C6	H65	90.0°	109.5°
C5	C6	H66	90.0°	109.5°
C6	C5	H67	90.0°	109.5°
C6	C5	H68	90.0°	109.5°
C5	C4	C3	90.0°	109.5°
C4	C5	H67	90.0°	109.5°
C4	C5	H68	90.0°	109.4°
C5	C4	H69	90.0°	109.5°
C5	C4	H70	90.0°	109.5°
C4	C3	C2	90.0°	109.5°
C3	C4	H69	90.0°	109.5°
C3	C4	H70	90.0°	109.4°
C4	C3	H71	90.0°	109.5°
C4	C3	H72	90.0°	109.5°
C3	C2	C1	90.0°	109.5°
C2	C3	H71	90.0°	109.5°
C2	C3	H72	90.0°	109.4°
C3	C2	H73	90.0°	109.5°
C3	C2	H74	90.0°	109.5°
C1	C2	H73	90.0°	109.5°
C1	C2	H74	90.0°	109.4°
C2	C1	H75	90.0°	109.5°
C2	C1	H76	90.0°	109.4°
C2	C1	H77	90.0°	109.5°
H27	C10	H58	90.0°	109.4°
H59	C9	H60	90.0°	109.4°
H61	C8	H62	90.0°	109.5°
H63	C07	H64	90.0°	109.5°
H65	C6	H66	90.0°	109.5°
H67	C5	H68	90.0°	109.5°
H69	C4	H70	90.0°	109.4°
H71	C3	H72	90.0°	109.5°
H73	C2	H74	90.0°	109.4°
H75	C1	H76	90.0°	109.4°
H75	C1	H77	90.0°	109.5°
H76	C1	H77	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O17	C16	O18	C15	179.8°	180.0°
O17	C16	O18	C19	70.3°	0.0°
O17	C16	C15	C14	1.1°	0.1°
O17	C16	C15	H34	119.3°	120.1°
O17	C16	C15	H35	121.5°	120.0°
C16	O18	C19	C41	153.0°	90.0°
O18	C16	C15	C14	179.1°	180.0°
C16	O18	C19	C20	85.3°	150.0°
O18	C16	C15	H34	60.5°	60.0°
O18	C16	C15	H35	58.7°	60.0°
C16	O18	C19	H36	33.8°	30.0°
C19	O18	C16	C15	109.9°	180.0°
O18	C19	C41	O42	146.8°	65.0°
O18	C19	C41	C20	118.7°	120.0°
O18	C19	C41	H36	120.4°	120.0°
O18	C19	C20	H36	120.3°	120.0°
O18	C19	C20	O21	146.0°	65.0°
O18	C19	C41	H4	26.8°	55.0°
O18	C19	C41	H5	93.3°	175.0°
O18	C19	C20	H37	26.1°	175.0°
O18	C19	C20	H38	94.1°	55.0°
C16	C15	C14	H34	120.4°	120.0°
C16	C15	C14	H35	120.4°	120.0°
C16	C15	C14	C13	156.0°	180.0°
C16	C15	C14	H32	35.6°	60.1°
C16	C15	C14	H33	83.5°	60.0°
C16	C15	H34	H35	118.7°	120.0°
O42	C41	C19	H4	119.9°	120.0°
O42	C41	C19	H5	119.9°	120.0°
O42	C41	C19	C20	94.5°	55.0°
C41	O42	P43	O46	129.8°	175.0°
C41	O42	P43	O45	9.8°	55.0°
C41	O42	P43	O44	110.1°	65.0°
O42	C41	H4	H5	120.3°	120.1°
O42	C41	C19	H36	26.4°	175.0°
C19	C41	O42	P43	90.1°	180.0°
C41	C19	C20	H36	120.9°	120.0°
C41	C19	C20	O21	95.2°	55.0°
C19	C41	H4	H5	120.3°	120.0°
C41	C19	C20	H37	144.9°	65.0°
C41	C19	C20	H38	24.7°	175.0°
O51	C48	C47	C49	119.1°	120.0°
O51	C48	C47	H1	119.9°	120.0°
O51	C48	C49	H1	120.1°	120.0°
O51	C48	C47	O46	92.7°	65.0°
O51	C48	C49	O50	28.6°	65.0°
O51	C48	C47	H2	27.1°	54.9°
O51	C48	C47	H3	147.5°	175.0°
O51	C48	C49	H53	91.2°	175.0°
O51	C48	C49	H54	148.4°	55.0°
O42	P43	O46	O45	120.2°	120.0°
O42	P43	O46	O44	120.2°	120.0°
O42	P43	O46	C47	138.8°	175.0°
O42	P43	O45	O44	120.0°	120.0°
P43	O42	C41	H4	150.0°	60.0°
P43	O42	C41	H5	29.8°	60.0°
O42	P43	O44	H55	120.1°	60.0°
C15	C14	C13	H32	120.4°	119.9°
C15	C14	C13	H33	120.4°	120.0°
C15	C14	C13	C12	125.3°	180.0°
C15	C14	C13	H30	114.3°	60.1°
C15	C14	C13	H31	4.9°	60.0°
C15	C14	H32	H33	118.6°	120.0°
C14	C15	H34	H35	118.8°	120.0°
C14	C13	C12	H30	120.4°	120.0°
C14	C13	C12	H31	120.4°	120.1°
C14	C13	C12	C11	165.3°	180.0°
C14	C13	C12	H28	74.2°	60.0°
C14	C13	C12	H29	44.9°	60.0°
C14	C13	H30	H31	118.8°	120.1°
C13	C14	H32	H33	118.6°	120.1°
C13	C14	C15	H34	83.5°	60.0°
C13	C14	C15	H35	35.7°	59.9°
C19	C20	O21	H37	119.9°	120.0°
C19	C20	O21	H38	119.9°	120.0°
C19	C20	O21	C22	145.4°	180.0°
C20	C19	C41	H4	145.6°	175.0°
C20	C19	C41	H5	25.4°	65.0°
C19	C20	H37	H38	120.2°	120.0°
C47	C48	C49	H1	120.9°	120.0°
C48	C47	O46	P43	173.6°	180.0°
C48	C47	O46	H2	119.8°	120.0°
C48	C47	O46	H3	119.8°	120.0°
C47	C48	C49	O50	90.4°	175.0°
C48	C47	H2	H3	120.6°	120.0°
C47	C48	C49	H53	149.8°	55.0°
C47	C48	C49	H54	29.4°	65.0°
C47	C48	O51	H57	180.0°	60.0°
C49	C48	C47	O46	148.2°	175.0°
C48	C49	O50	H53	119.8°	120.0°
C48	C49	O50	H54	119.8°	120.0°
C49	C48	C47	H2	92.0°	65.0°
C49	C48	C47	H3	28.4°	55.0°
C48	C49	H53	H54	120.6°	120.0°
C48	C49	O50	H56	180.0°	180.0°
C49	C48	O51	H57	57.8°	60.0°
O46	P43	O45	O44	119.7°	120.0°
P43	O46	C47	H2	53.8°	60.1°
P43	O46	C47	H3	66.6°	60.0°
O46	P43	O44	H55	119.5°	60.0°
C47	O46	P43	O45	18.6°	55.0°
C47	O46	P43	O44	101.0°	65.0°
O46	C47	C48	H1	27.3°	55.0°
O46	C47	H2	H3	120.6°	120.0°
C13	C12	C11	H28	120.4°	120.0°
C13	C12	C11	H29	120.5°	120.1°
C13	C12	C11	H25	112.4°	60.0°
C13	C12	C11	H26	116.4°	60.1°
C13	C12	H28	H29	118.6°	120.0°
C12	C13	H30	H31	118.8°	120.0°
C12	C13	C14	H32	4.9°	60.1°
C12	C13	C14	H33	114.3°	60.0°
C13	C12	C11	C10	2.0°	180.0°
O45	P43	O44	H55	0.0°	180.0°
C20	O21	C22	O23	49.3°	0.0°
C20	O21	C22	C24	130.3°	180.0°
O21	C20	C19	H36	25.7°	175.0°
O21	C20	H37	H38	120.3°	120.0°
O50	C49	C48	H1	148.6°	55.0°
O50	C49	H53	H54	120.5°	120.0°
C12	C11	H25	H26	134.4°	120.0°
C12	C11	H25	C10	91.3°	120.0°
C12	C11	H26	C10	91.3°	120.0°
C11	C12	H28	H29	118.7°	120.0°
C11	C12	C13	H30	44.9°	60.0°
C11	C12	C13	H31	74.3°	59.9°
C12	C11	C10	C9	90.0°	180.0°
C12	C11	C10	H27	90.0°	60.0°
C12	C11	C10	H58	90.0°	60.0°
O21	C22	O23	C24	179.6°	180.0°
O21	C22	C24	C25	155.5°	180.0°
C22	O21	C20	H37	25.5°	60.0°
C22	O21	C20	H38	94.7°	60.0°
O21	C22	C24	H39	84.2°	60.0°
O21	C22	C24	H40	35.2°	59.9°
O23	C22	C24	C25	24.9°	0.0°
O23	C22	C24	H39	95.4°	120.0°
O23	C22	C24	H40	145.2°	120.0°
C22	C24	C25	H39	120.3°	120.0°
C22	C24	C25	H40	120.3°	120.1°
C22	C24	C25	C26	97.9°	180.0°
C22	C24	H39	H40	119.2°	120.0°
C22	C24	C25	H41	141.8°	60.1°
C22	C24	C25	H42	22.5°	60.0°
C24	C25	C26	H41	120.4°	119.9°
C24	C25	C26	H42	120.4°	120.0°
C24	C25	C26	C27	177.0°	180.0°
C25	C24	H39	H40	119.1°	120.0°
C24	C25	H41	H42	119.0°	120.0°
C24	C25	C26	H43	56.5°	60.0°
C24	C25	C26	H44	62.6°	60.0°
C25	C26	C27	H43	120.4°	120.0°
C25	C26	C27	H44	120.4°	120.0°
C25	C26	C27	C28	125.5°	180.0°
C26	C25	C24	H39	22.4°	60.0°
C26	C25	C24	H40	141.8°	59.9°
C26	C25	H41	H42	118.9°	120.0°
C25	C26	H43	H44	118.7°	120.0°
C25	C26	C27	H45	114.1°	60.0°
C25	C26	C27	H46	5.2°	60.0°
C26	C27	C28	H45	120.3°	120.0°
C26	C27	C28	H46	120.4°	120.0°
C26	C27	C28	C29	151.9°	180.0°
C27	C26	C25	H41	62.7°	60.0°
C27	C26	C25	H42	56.6°	60.1°
C27	C26	H43	H44	118.7°	120.0°
C26	C27	H45	H46	119.0°	120.0°
C26	C27	C28	H47	87.7°	59.9°
C26	C27	C28	H48	31.4°	60.0°
C27	C28	C29	H47	120.5°	120.0°
C27	C28	C29	H48	120.4°	120.0°
C27	C28	C29	C30	163.5°	180.0°
C28	C27	C26	H43	5.1°	60.0°
C28	C27	C26	H44	114.1°	60.1°
C28	C27	H45	H46	118.9°	120.0°
C27	C28	H47	H48	118.7°	119.9°
C27	C28	C29	H49	76.2°	60.0°
C27	C28	C29	H50	43.1°	60.0°
C28	C29	C30	H49	120.3°	120.0°
C28	C29	C30	H50	120.4°	120.0°
C28	C29	C30	C31	150.8°	180.0°
C29	C28	C27	H45	31.5°	60.0°
C29	C28	C27	H46	87.8°	60.0°
C29	C28	H47	H48	118.7°	120.1°
C28	C29	H49	H50	118.9°	120.0°
C28	C29	C30	H51	88.8°	60.0°
C28	C29	C30	H52	30.4°	60.0°
C29	C30	C31	H51	120.4°	119.9°
C29	C30	C31	H52	120.4°	119.9°
C29	C30	C31	C32	166.4°	180.0°
C29	C30	C31	H24	72.2°	60.0°
C30	C29	C28	H47	43.0°	60.0°
C30	C29	C28	H48	76.1°	60.0°
C30	C29	H49	H50	118.9°	120.1°
C29	C30	H51	H52	118.8°	120.0°
C29	C30	C31	H79	44.9°	60.0°
C30	C31	C32	H24	121.5°	119.9°
C30	C31	C32	H79	121.5°	120.0°
C30	C31	C32	C33	180.0°	180.0°
C30	C31	C32	H23	58.5°	60.0°
C30	C31	H24	H79	115.3°	120.0°
C31	C30	C29	H49	30.5°	60.0°
C31	C30	C29	H50	88.8°	60.0°
C31	C30	H51	H52	118.8°	120.1°
C30	C31	C32	H78	58.5°	60.0°
C31	C32	C33	H23	121.5°	120.0°
C31	C32	C33	H78	121.5°	120.0°
C31	C32	C33	C34	150.1°	180.0°
C31	C32	C33	H21	89.6°	59.9°
C31	C32	C33	H22	29.7°	60.0°
C31	C32	H23	H78	115.3°	120.0°
C32	C31	H24	H79	115.3°	120.0°
C32	C31	C30	H51	46.0°	60.1°
C32	C31	C30	H52	73.2°	60.1°
C32	C33	C34	H21	120.4°	120.0°
C32	C33	C34	H22	120.4°	120.0°
C32	C33	C34	C35	171.7°	180.0°
C32	C33	C34	H19	67.8°	59.9°
C32	C33	C34	H20	51.3°	60.0°
C32	C33	H21	H22	118.8°	119.9°
C33	C32	H23	H78	115.3°	120.0°
C33	C32	C31	H24	58.5°	60.0°
C33	C32	C31	H79	58.6°	60.0°
C33	C34	C35	H19	120.5°	120.0°
C33	C34	C35	H20	120.4°	120.0°
C33	C34	C35	C36	119.9°	180.0°
C33	C34	C35	H17	119.8°	60.0°
C33	C34	C35	H18	0.5°	60.0°
C33	C34	H19	H20	118.6°	119.9°
C34	C33	H21	H22	118.8°	120.0°
C34	C33	C32	H23	28.6°	60.0°
C34	C33	C32	H78	88.5°	60.0°
C34	C35	C36	H17	120.4°	120.0°
C34	C35	C36	H18	120.4°	120.0°
C34	C35	C36	C37	136.9°	180.0°
C34	C35	C36	H15	102.7°	60.0°
C34	C35	C36	H16	16.5°	60.0°
C34	C35	H17	H18	118.9°	120.0°
C35	C34	H19	H20	118.7°	120.0°
C35	C34	C33	H21	51.4°	60.0°
C35	C34	C33	H22	67.8°	60.0°
C35	C36	C37	H15	120.4°	120.0°
C35	C36	C37	H16	120.4°	120.0°
C35	C36	C37	C38	120.0°	180.0°
C35	C36	C37	H13	119.6°	60.0°
C35	C36	C37	H14	0.4°	60.0°
C35	C36	H15	H16	118.7°	119.9°
C36	C35	H17	H18	118.9°	120.0°
C36	C35	C34	H19	0.6°	60.0°
C36	C35	C34	H20	119.7°	60.0°
C36	C37	C38	H13	120.5°	119.9°
C36	C37	C38	H14	120.4°	120.0°
C36	C37	C38	C39	146.6°	180.0°
C36	C37	C38	H11	93.0°	60.0°
C36	C37	C38	H12	26.2°	60.0°
C36	C37	H13	H14	118.7°	120.0°
C37	C36	H15	H16	118.7°	120.1°
C37	C36	C35	H17	16.5°	60.1°
C37	C36	C35	H18	102.7°	60.0°
C37	C38	C39	H11	120.4°	120.0°
C37	C38	C39	H12	120.4°	120.0°
C37	C38	C39	C40	158.2°	180.0°
C37	C38	C39	H9	81.4°	60.0°
C37	C38	C39	H10	37.9°	60.0°
C37	C38	H11	H12	118.7°	120.0°
C38	C37	H13	H14	118.6°	120.0°
C38	C37	C36	H15	0.4°	60.0°
C38	C37	C36	H16	119.6°	60.0°
C38	C39	C40	H9	120.4°	120.0°
C38	C39	C40	H10	120.4°	120.0°
C38	C39	C40	H6	180.0°	60.0°
C38	C39	C40	H7	60.0°	180.0°
C38	C39	C40	H8	60.0°	60.0°
C38	C39	H9	H10	118.8°	120.0°
C39	C38	H11	H12	118.7°	120.0°
C39	C38	C37	H13	26.1°	60.0°
C39	C38	C37	H14	93.0°	60.0°
C39	C40	H6	H7	120.0°	120.0°
C39	C40	H6	H8	120.0°	119.9°
C39	C40	H7	H8	120.0°	120.0°
C40	C39	H9	H10	118.7°	120.0°
C40	C39	C38	H11	37.8°	60.0°
C40	C39	C38	H12	81.3°	60.0°
H1	C48	C47	H2	147.1°	175.0°
H1	C48	C47	H3	92.5°	64.9°
H1	C48	C49	H53	28.9°	65.0°
H1	C48	C49	H54	91.5°	175.0°
H1	C48	O51	H57	61.2°	180.0°
H4	C41	C19	H36	93.5°	65.0°
H5	C41	C19	H36	146.3°	55.0°
H6	C40	H7	H8	120.0°	120.1°
H6	C40	C39	H9	59.5°	180.0°
H6	C40	C39	H10	59.6°	60.0°
H7	C40	C39	H9	179.6°	60.0°
H7	C40	C39	H10	60.4°	60.0°
H8	C40	C39	H9	60.4°	60.0°
H8	C40	C39	H10	179.6°	180.0°
H9	C39	C38	H11	158.2°	180.0°
H9	C39	C38	H12	39.1°	60.0°
H10	C39	C38	H11	82.6°	60.0°
H10	C39	C38	H12	158.3°	180.0°
H11	C38	C37	H13	146.5°	179.9°
H11	C38	C37	H14	27.4°	60.0°
H12	C38	C37	H13	94.3°	60.0°
H12	C38	C37	H14	146.6°	180.0°
H13	C37	C36	H15	120.0°	180.0°
H13	C37	C36	H16	0.8°	60.0°
H14	C37	C36	H15	120.8°	60.0°
H14	C37	C36	H16	120.0°	180.0°
H15	C36	C35	H17	136.9°	179.9°
H15	C36	C35	H18	17.7°	60.0°
H16	C36	C35	H17	103.9°	60.0°
H16	C36	C35	H18	136.9°	180.0°
H17	C35	C34	H19	119.8°	180.0°
H17	C35	C34	H20	0.7°	60.0°
H18	C35	C34	H19	121.0°	60.0°
H18	C35	C34	H20	119.9°	180.0°
H19	C34	C33	H21	171.8°	180.0°
H19	C34	C33	H22	52.6°	60.0°
H20	C34	C33	H21	69.1°	60.0°
H20	C34	C33	H22	171.7°	180.0°
H21	C33	C32	H23	149.0°	179.9°
H21	C33	C32	H78	31.9°	60.0°
H22	C33	C32	H23	91.8°	60.0°
H22	C33	C32	H78	151.1°	180.0°
H23	C32	C31	H24	NaN°	180.0°
H23	C32	C31	H79	62.9°	60.0°
H24	C31	C30	H51	167.5°	180.0°
H24	C31	C30	H52	48.2°	59.9°
H24	C31	C32	H78	63.0°	60.0°
H25	C11	H26	C10	134.4°	120.0°
H25	C11	C12	H28	8.1°	60.0°
H25	C11	C12	H29	127.2°	180.0°
H25	C11	C10	C9	90.0°	59.9°
H25	C11	C10	H27	90.0°	180.0°
H25	C11	C10	H58	90.0°	60.0°
H26	C11	C12	H28	123.2°	180.0°
H26	C11	C12	H29	4.1°	60.0°
H26	C11	C10	C9	90.0°	60.0°
H26	C11	C10	H27	90.0°	60.0°
H26	C11	C10	H58	90.0°	180.0°
H28	C12	C13	H30	165.4°	180.0°
H28	C12	C13	H31	46.2°	60.0°
H28	C12	C11	C10	122.5°	60.0°
H29	C12	C13	H30	75.6°	60.0°
H29	C12	C13	H31	165.2°	180.0°
H29	C12	C11	C10	118.5°	59.9°
H30	C13	C14	H32	125.2°	180.0°
H30	C13	C14	H33	6.1°	60.0°
H31	C13	C14	H32	115.5°	59.9°
H31	C13	C14	H33	125.4°	180.0°
H32	C14	C15	H34	156.0°	179.9°
H32	C14	C15	H35	84.8°	60.0°
H33	C14	C15	H34	36.9°	60.1°
H33	C14	C15	H35	156.1°	NaN°
H36	C19	C20	H37	94.2°	55.0°
H36	C19	C20	H38	145.7°	65.0°
H39	C24	C25	H41	97.9°	180.0°
H39	C24	C25	H42	142.8°	60.0°
H40	C24	C25	H41	21.5°	60.0°
H40	C24	C25	H42	97.8°	179.9°
H41	C25	C26	H43	176.9°	179.9°
H41	C25	C26	H44	57.7°	60.0°
H42	C25	C26	H43	63.9°	60.0°
H42	C25	C26	H44	177.0°	180.0°
H43	C26	C27	H45	125.5°	180.0°
H43	C26	C27	H46	115.2°	60.0°
H44	C26	C27	H45	6.3°	60.0°
H44	C26	C27	H46	125.6°	180.0°
H45	C27	C28	H47	152.0°	180.0°
H45	C27	C28	H48	88.9°	60.0°
H46	C27	C28	H47	32.7°	60.0°
H46	C27	C28	H48	151.8°	180.0°
H47	C28	C29	H49	163.4°	180.0°
H47	C28	C29	H50	77.4°	60.0°
H48	C28	C29	H49	44.3°	60.0°
H48	C28	C29	H50	163.5°	179.9°
H49	C29	C30	H51	150.9°	60.0°
H49	C29	C30	H52	89.9°	180.0°
H50	C29	C30	H51	31.6°	180.0°
H50	C29	C30	H52	150.8°	60.0°
H51	C30	C31	H79	75.5°	60.0°
H52	C30	C31	H79	165.3°	179.9°
H53	C49	O50	H56	60.2°	60.0°
H54	C49	O50	H56	60.1°	60.0°
C11	C10	C9	H27	90.0°	120.1°
C11	C10	C9	H58	90.0°	120.0°
C11	C10	C9	C8	90.0°	180.0°
C11	C10	H27	H58	90.0°	120.0°
C11	C10	C9	H59	90.0°	59.9°
C11	C10	C9	H60	90.0°	60.0°
C10	C9	C8	H59	90.0°	120.0°
C10	C9	C8	H60	90.0°	120.0°
C10	C9	C8	C07	90.0°	180.0°
C9	C10	H27	H58	90.0°	119.9°
C10	C9	H59	H60	90.0°	119.9°
C10	C9	C8	H61	90.0°	59.9°
C10	C9	C8	H62	90.0°	60.0°
C9	C8	C07	H61	90.0°	120.0°
C9	C8	C07	H62	90.0°	119.9°
C9	C8	C07	C6	90.0°	180.0°
C8	C9	C10	H27	90.0°	59.9°
C8	C9	C10	H58	90.0°	60.0°
C8	C9	H59	H60	90.0°	120.0°
C9	C8	H61	H62	90.0°	119.9°
C9	C8	C07	H63	90.0°	60.0°
C9	C8	C07	H64	90.0°	60.0°
C8	C07	C6	H63	90.0°	120.1°
C8	C07	C6	H64	90.0°	120.0°
C8	C07	C6	C5	90.0°	180.0°
C07	C8	C9	H59	90.0°	60.0°
C07	C8	C9	H60	90.0°	60.0°
C07	C8	H61	H62	90.0°	120.0°
C8	C07	H63	H64	90.0°	120.0°
C8	C07	C6	H65	90.0°	59.9°
C8	C07	C6	H66	90.0°	60.0°
C07	C6	C5	H65	90.0°	120.0°
C07	C6	C5	H66	90.0°	119.9°
C07	C6	C5	C4	90.0°	180.0°
C6	C07	C8	H61	90.0°	60.0°
C6	C07	C8	H62	90.0°	60.1°
C6	C07	H63	H64	90.0°	120.0°
C07	C6	H65	H66	90.0°	119.9°
C07	C6	C5	H67	90.0°	60.0°
C07	C6	C5	H68	90.0°	60.1°
C6	C5	C4	H67	90.0°	120.1°
C6	C5	C4	H68	90.0°	120.0°
C6	C5	C4	C3	90.0°	180.0°
C5	C6	C07	H63	90.0°	59.9°
C5	C6	C07	H64	90.0°	60.0°
C5	C6	H65	H66	90.0°	120.0°
C6	C5	H67	H68	90.0°	120.0°
C6	C5	C4	H69	90.0°	60.0°
C6	C5	C4	H70	90.0°	60.0°
C5	C4	C3	H69	90.0°	120.1°
C5	C4	C3	H70	90.0°	120.0°
C5	C4	C3	C2	90.0°	180.0°
C4	C5	C6	H65	90.0°	60.0°
C4	C5	C6	H66	90.0°	60.1°
C4	C5	H67	H68	90.0°	119.9°
C5	C4	H69	H70	90.0°	120.0°
C5	C4	C3	H71	90.0°	60.0°
C5	C4	C3	H72	90.0°	60.1°
C4	C3	C2	H71	90.0°	120.1°
C4	C3	C2	H72	90.0°	120.0°
C4	C3	C2	C1	90.0°	180.0°
C3	C4	C5	H67	90.0°	59.9°
C3	C4	C5	H68	90.0°	60.0°
C3	C4	H69	H70	90.0°	120.0°
C4	C3	H71	H72	90.0°	120.0°
C4	C3	C2	H73	90.0°	60.0°
C4	C3	C2	H74	90.0°	60.0°
C3	C2	C1	H73	90.0°	120.1°
C3	C2	C1	H74	90.0°	120.0°
C2	C3	C4	H69	90.0°	59.9°
C2	C3	C4	H70	90.0°	60.0°
C2	C3	H71	H72	90.0°	119.9°
C3	C2	H73	H74	90.0°	120.0°
C3	C2	C1	H75	90.0°	59.9°
C3	C2	C1	H76	90.0°	60.0°
C3	C2	C1	H77	90.0°	180.0°
C1	C2	C3	H71	90.0°	59.9°
C1	C2	C3	H72	90.0°	60.0°
C1	C2	H73	H74	90.0°	119.9°
C2	C1	H75	H76	90.0°	119.9°
C2	C1	H75	H77	90.0°	120.1°
C2	C1	H76	H77	90.0°	120.0°
H27	C10	C9	H59	90.0°	180.0°
H27	C10	C9	H60	90.0°	60.1°
H58	C10	C9	H59	90.0°	60.1°
H58	C10	C9	H60	90.0°	180.0°
H59	C9	C8	H61	90.0°	180.0°
H59	C9	C8	H62	90.0°	60.0°
H60	C9	C8	H61	90.0°	60.0°
H60	C9	C8	H62	90.0°	180.0°
H61	C8	C07	H63	90.0°	NaN°
H61	C8	C07	H64	90.0°	60.0°
H62	C8	C07	H63	90.0°	60.0°
H62	C8	C07	H64	90.0°	180.0°
H63	C07	C6	H65	90.0°	180.0°
H63	C07	C6	H66	90.0°	60.0°
H64	C07	C6	H65	90.0°	60.0°
H64	C07	C6	H66	90.0°	180.0°
H65	C6	C5	H67	90.0°	180.0°
H65	C6	C5	H68	90.0°	60.0°
H66	C6	C5	H67	90.0°	60.0°
H66	C6	C5	H68	90.0°	180.0°
H67	C5	C4	H69	90.0°	180.0°
H67	C5	C4	H70	90.0°	60.0°
H68	C5	C4	H69	90.0°	60.0°
H68	C5	C4	H70	90.0°	180.0°
H69	C4	C3	H71	90.0°	180.0°
H69	C4	C3	H72	90.0°	60.0°
H70	C4	C3	H71	90.0°	60.0°
H70	C4	C3	H72	90.0°	180.0°
H71	C3	C2	H73	90.0°	180.0°
H71	C3	C2	H74	90.0°	60.0°
H72	C3	C2	H73	90.0°	60.0°
H72	C3	C2	H74	90.0°	180.0°
H73	C2	C1	H75	90.0°	180.0°
H73	C2	C1	H76	90.0°	60.1°
H73	C2	C1	H77	90.0°	59.9°
H74	C2	C1	H75	90.0°	60.1°
H74	C2	C1	H76	90.0°	180.0°
H74	C2	C1	H77	90.0°	60.0°
H75	C1	H76	H77	90.0°	120.1°
H78	C32	C31	H79	180.0°	180.0°

Release date:	2024-10-30
Definition date:	2024-10-21
Last modified:	2024-10-25
Release status:	REL
Processing site:	PDBJ
Derived from:	8XN1