A1KB5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.55Å
C3	C4	sing	1.53Å	1.55Å
C4	C5	sing	1.53Å	1.55Å
C5	C6	sing	1.53Å	1.55Å
C6	C7	sing	1.53Å	1.55Å
C7	C8	sing	1.53Å	1.55Å
C8	C9	sing	1.53Å	1.55Å
C9	C10	sing	1.51Å	1.53Å
C10	C11	doub	1.31Å	1.33Å
C11	C12	sing	1.51Å	1.54Å
C12	C13	sing	1.53Å	1.56Å
C13	C14	sing	1.53Å	1.56Å
C14	C15	sing	1.53Å	1.56Å
C15	C16	sing	1.53Å	1.56Å
C16	C17	sing	1.53Å	1.56Å
C17	C18	sing	1.53Å	1.56Å
C18	C19	sing	1.53Å	1.55Å
C19	C20	sing	1.53Å	1.54Å
C20	C21	sing	1.53Å	1.54Å
C21	C22	sing	1.53Å	1.54Å
C22	C23	sing	1.53Å	1.56Å
C23	C24	sing	1.51Å	1.55Å
C24	O1	doub	1.21Å	1.19Å
C24	N1	sing	1.35Å	1.49Å
N1	C25	sing	1.47Å	1.44Å
C25	C26	sing	1.53Å	1.54Å
C25	C50	sing	1.53Å	1.55Å
C26	O2	sing	1.43Å	1.44Å
O2	C27	sing	1.43Å	1.42Å
C27	O3	sing	1.43Å	1.42Å
C27	C49	sing	1.53Å	1.48Å
O3	C28	sing	1.43Å	1.49Å
C28	C29	sing	1.53Å	1.47Å
C28	C30	sing	1.53Å	1.54Å
C29	O4	sing	1.43Å	1.41Å
C30	O5	sing	1.43Å	1.41Å
C30	C48	sing	1.53Å	1.53Å
O5	C31	sing	1.43Å	1.43Å
C48	O19	sing	1.43Å	1.44Å
C48	C49	sing	1.53Å	1.46Å
C49	O20	sing	1.43Å	1.46Å
C50	O21	sing	1.43Å	1.37Å
C50	C51	sing	1.51Å	1.55Å
C51	C52	doub	1.31Å	1.38Å
C52	C53	sing	1.51Å	1.56Å
C53	C54	sing	1.53Å	1.57Å
C54	C55	sing	1.53Å	1.56Å
C55	C56	sing	1.53Å	1.57Å
C56	C57	sing	1.53Å	1.56Å
C57	C58	sing	1.53Å	1.57Å
C58	C59	sing	1.53Å	1.58Å
C59	C60	sing	1.53Å	1.58Å
C60	C61	sing	1.53Å	1.58Å
C61	C62	sing	1.53Å	1.58Å
C62	C63	sing	1.53Å	1.58Å
C63	C64	sing	1.53Å	1.57Å
C64	C65	sing	1.53Å	1.56Å
C1	H1	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C10	H20	sing	1.08Å	1.08Å
C11	H21	sing	1.08Å	1.08Å
C12	H23	sing	1.09Å	1.10Å
C12	H22	sing	1.09Å	1.10Å
C13	H25	sing	1.09Å	1.10Å
C13	H24	sing	1.09Å	1.10Å
C14	H27	sing	1.09Å	1.10Å
C14	H26	sing	1.09Å	1.10Å
C15	H29	sing	1.09Å	1.10Å
C15	H28	sing	1.09Å	1.10Å
C16	H31	sing	1.09Å	1.10Å
C16	H30	sing	1.09Å	1.10Å
C17	H33	sing	1.09Å	1.10Å
C17	H32	sing	1.09Å	1.10Å
C18	H35	sing	1.09Å	1.10Å
C18	H34	sing	1.09Å	1.10Å
C19	H37	sing	1.09Å	1.10Å
C19	H36	sing	1.09Å	1.10Å
C2	H5	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C20	H39	sing	1.09Å	1.10Å
C20	H38	sing	1.09Å	1.10Å
C21	H41	sing	1.09Å	1.10Å
C21	H40	sing	1.09Å	1.10Å
C22	H43	sing	1.09Å	1.10Å
C22	H42	sing	1.09Å	1.10Å
C23	H45	sing	1.09Å	1.10Å
C23	H44	sing	1.09Å	1.10Å
C25	H47	sing	1.09Å	1.10Å
C26	H49	sing	1.09Å	1.10Å
C26	H48	sing	1.09Å	1.10Å
C27	H50	sing	1.09Å	1.10Å
C28	H51	sing	1.09Å	1.10Å
C29	H53	sing	1.09Å	1.10Å
C29	H52	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C30	H55	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C48	H84	sing	1.09Å	1.10Å
C49	H86	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C50	H88	sing	1.09Å	1.10Å
C51	H90	sing	1.08Å	1.08Å
C52	H91	sing	1.08Å	1.08Å
C53	H93	sing	1.09Å	1.10Å
C53	H92	sing	1.09Å	1.10Å
C54	H95	sing	1.09Å	1.10Å
C54	H94	sing	1.09Å	1.10Å
C55	H97	sing	1.09Å	1.10Å
C55	H96	sing	1.09Å	1.10Å
C56	H99	sing	1.09Å	1.10Å
C56	H98	sing	1.09Å	1.10Å
C57	HA1	sing	1.09Å	1.10Å
C57	HA0	sing	1.09Å	1.10Å
C58	HA3	sing	1.09Å	1.10Å
C58	HA2	sing	1.09Å	1.10Å
C59	HA5	sing	1.09Å	1.10Å
C59	HA4	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C60	HA7	sing	1.09Å	1.10Å
C60	HA6	sing	1.09Å	1.10Å
C61	HA9	sing	1.09Å	1.10Å
C61	HA8	sing	1.09Å	1.10Å
C62	HB1	sing	1.09Å	1.10Å
C62	HB0	sing	1.09Å	1.10Å
C63	HB3	sing	1.09Å	1.10Å
C63	HB2	sing	1.09Å	1.10Å
C64	HB5	sing	1.09Å	1.10Å
C64	HB4	sing	1.09Å	1.10Å
C65	HB7	sing	1.09Å	1.10Å
C65	HB6	sing	1.09Å	1.10Å
C65	HB8	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C8	H17	sing	1.09Å	1.10Å
C8	H16	sing	1.09Å	1.10Å
C9	H19	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
N1	H46	sing	0.97Å	1.00Å
O19	H85	sing	0.97Å	0.95Å
O20	H87	sing	0.97Å	0.95Å
O21	H89	sing	0.97Å	0.95Å
O4	H54	sing	0.97Å	0.95Å
C31	O6	sing	1.43Å	194.93Å
O6	C33	sing	1.43Å	0.00Å
C33	C34	sing	1.53Å	0.00Å
C34	C35	sing	1.53Å	0.00Å
C35	C36	sing	1.53Å	0.00Å
C36	C31	sing	1.53Å	194.93Å
C33	C32	sing	1.53Å	0.00Å
C32	O7	sing	1.43Å	0.00Å
C34	O9	sing	1.43Å	0.00Å
C35	O8	sing	1.43Å	0.00Å
C36	O10	sing	1.43Å	0.00Å
O8	C40	sing	1.43Å	0.00Å
C40	C41	sing	1.53Å	0.00Å
C41	C42	sing	1.53Å	0.00Å
C42	C43	sing	1.53Å	0.00Å
C43	C44	sing	1.53Å	0.00Å
C44	O15	sing	1.43Å	0.00Å
O15	C40	sing	1.43Å	0.00Å
C40	C37	sing	1.51Å	0.00Å
C44	C38	sing	1.53Å	0.00Å
C38	C39	sing	1.53Å	0.00Å
C42	O11	sing	1.43Å	0.00Å
C43	N2	sing	1.46Å	0.00Å
N2	C66	sing	1.35Å	0.00Å
C66	O14	doub	1.21Å	0.00Å
C66	C68	sing	1.51Å	0.00Å
C37	O13	sing	1.34Å	0.00Å
C37	O12	doub	1.21Å	0.00Å
C38	O18	sing	1.43Å	0.00Å
C39	C46	sing	1.53Å	0.00Å
C39	O17	sing	1.43Å	0.00Å
C46	O16	sing	1.43Å	0.00Å
C31	H56	sing	1.09Å	194.93Å
C33	H57	sing	1.09Å	0.00Å
C34	H58	sing	1.09Å	0.00Å
C35	H59	sing	1.09Å	0.00Å
C36	H60	sing	1.09Å	0.00Å
C32	H61	sing	1.09Å	0.00Å
C32	H62	sing	1.09Å	0.00Å
O7	H63	sing	0.97Å	0.00Å
O9	H64	sing	0.97Å	0.00Å
O10	H65	sing	0.97Å	0.00Å
C41	H66	sing	1.09Å	0.00Å
C41	H67	sing	1.09Å	0.00Å
C42	H68	sing	1.09Å	0.00Å
C43	H69	sing	1.09Å	0.00Å
C44	H70	sing	1.09Å	0.00Å
C38	H71	sing	1.09Å	0.00Å
C39	H72	sing	1.09Å	0.00Å
O11	H73	sing	0.97Å	0.00Å
N2	H74	sing	0.97Å	0.00Å
C68	H75	sing	1.09Å	0.00Å
C68	H76	sing	1.09Å	0.00Å
C68	H77	sing	1.09Å	0.00Å
O13	H78	sing	0.97Å	0.00Å
O18	H79	sing	0.97Å	0.00Å
C46	H80	sing	1.09Å	0.00Å
C46	H81	sing	1.09Å	0.00Å
O17	H82	sing	0.97Å	0.00Å
O16	H83	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	109.5°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C1	C2	H5	109.5°	109.4°
C1	C2	H4	109.5°	109.5°
C2	C3	C4	110.0°	109.5°
C3	C2	H5	109.5°	109.5°
C3	C2	H4	109.5°	109.5°
C2	C3	H7	109.3°	109.4°
C2	C3	H6	109.4°	109.5°
C3	C4	C5	109.8°	109.5°
C4	C3	H7	109.3°	109.5°
C4	C3	H6	109.3°	109.5°
C3	C4	H9	109.4°	109.5°
C3	C4	H8	109.4°	109.5°
C4	C5	C6	109.8°	109.5°
C5	C4	H9	109.4°	109.5°
C5	C4	H8	109.4°	109.5°
C4	C5	H11	109.4°	109.5°
C4	C5	H10	109.4°	109.5°
C5	C6	C7	111.4°	109.5°
C6	C5	H11	109.4°	109.5°
C6	C5	H10	109.4°	109.4°
C5	C6	H13	109.0°	109.5°
C5	C6	H12	109.0°	109.4°
C6	C7	C8	110.3°	109.5°
C7	C6	H13	109.0°	109.5°
C7	C6	H12	109.0°	109.5°
C6	C7	H15	109.3°	109.5°
C6	C7	H14	109.3°	109.5°
C7	C8	C9	112.5°	109.5°
C8	C7	H15	109.3°	109.5°
C8	C7	H14	109.3°	109.5°
C7	C8	H17	108.7°	109.5°
C7	C8	H16	108.7°	109.5°
C8	C9	C10	108.9°	109.5°
C9	C8	H17	108.7°	109.4°
C9	C8	H16	108.7°	109.5°
C8	C9	H19	109.6°	109.5°
C8	C9	H18	109.6°	109.5°
C9	C10	C11	134.1°	120.0°
C9	C10	H20	112.9°	120.0°
C10	C9	H19	109.6°	109.5°
C10	C9	H18	109.6°	109.4°
C10	C11	C12	166.9°	120.0°
C11	C10	H20	113.0°	120.0°
C10	C11	H21	96.5°	120.0°
C11	C12	C13	111.8°	109.5°
C12	C11	H21	96.5°	120.0°
C11	C12	H23	108.9°	109.5°
C11	C12	H22	108.9°	109.5°
C12	C13	C14	109.1°	109.5°
C13	C12	H23	108.9°	109.5°
C13	C12	H22	108.9°	109.5°
C12	C13	H25	109.6°	109.5°
C12	C13	H24	109.6°	109.5°
C13	C14	C15	110.3°	109.5°
C14	C13	H25	109.6°	109.5°
C14	C13	H24	109.6°	109.5°
C13	C14	H27	109.2°	109.5°
C13	C14	H26	109.3°	109.4°
C14	C15	C16	109.8°	109.4°
C15	C14	H27	109.2°	109.5°
C15	C14	H26	109.3°	109.5°
C14	C15	H29	109.4°	109.5°
C14	C15	H28	109.4°	109.5°
C15	C16	C17	109.5°	109.4°
C16	C15	H29	109.4°	109.5°
C16	C15	H28	109.4°	109.5°
C15	C16	H31	109.5°	109.5°
C15	C16	H30	109.5°	109.5°
C16	C17	C18	110.0°	109.5°
C17	C16	H31	109.5°	109.5°
C17	C16	H30	109.5°	109.5°
C16	C17	H33	109.3°	109.5°
C16	C17	H32	109.4°	109.5°
C17	C18	C19	108.4°	109.5°
C18	C17	H33	109.4°	109.5°
C18	C17	H32	109.3°	109.4°
C17	C18	H35	109.7°	109.5°
C17	C18	H34	109.7°	109.4°
C18	C19	C20	109.0°	109.5°
C19	C18	H35	109.7°	109.5°
C19	C18	H34	109.7°	109.5°
C18	C19	H37	109.6°	109.5°
C18	C19	H36	109.6°	109.5°
C19	C20	C21	109.3°	109.5°
C20	C19	H37	109.6°	109.5°
C20	C19	H36	109.6°	109.5°
C19	C20	H39	109.5°	109.4°
C19	C20	H38	109.5°	109.5°
C20	C21	C22	108.1°	109.5°
C21	C20	H39	109.5°	109.4°
C21	C20	H38	109.5°	109.5°
C20	C21	H41	109.8°	109.4°
C20	C21	H40	109.8°	109.5°
C21	C22	C23	110.0°	109.5°
C22	C21	H41	109.8°	109.4°
C22	C21	H40	109.8°	109.5°
C21	C22	H43	109.3°	109.5°
C21	C22	H42	109.3°	109.5°
C22	C23	C24	109.8°	109.5°
C23	C22	H43	109.3°	109.5°
C23	C22	H42	109.3°	109.5°
C22	C23	H45	109.4°	109.5°
C22	C23	H44	109.4°	109.5°
C23	C24	O1	119.1°	120.0°
C23	C24	N1	121.5°	120.0°
C24	C23	H45	109.4°	109.5°
C24	C23	H44	109.4°	109.4°
O1	C24	N1	119.4°	120.0°
C24	N1	C25	119.6°	120.0°
C24	N1	H46	120.2°	120.0°
N1	C25	C26	108.3°	109.4°
N1	C25	C50	111.1°	109.5°
N1	C25	H47	110.4°	109.5°
C25	N1	H46	120.2°	120.0°
C26	C25	C50	109.0°	109.5°
C25	C26	O2	110.2°	109.5°
C26	C25	H47	109.1°	109.4°
C25	C26	H49	109.3°	109.5°
C25	C26	H48	109.3°	109.5°
C25	C50	O21	108.4°	109.4°
C25	C50	C51	111.1°	109.5°
C50	C25	H47	108.9°	109.6°
C25	C50	H88	108.7°	109.5°
C26	O2	C27	113.7°	114.0°
O2	C26	H49	109.3°	109.4°
O2	C26	H48	109.3°	109.4°
O2	C27	O3	109.4°	109.5°
O2	C27	C49	108.8°	109.5°
O2	C27	H50	109.9°	109.5°
O3	C27	C49	109.7°	109.4°
C27	O3	C28	107.8°	114.1°
O3	C27	H50	109.9°	109.5°
C27	C49	C48	110.7°	109.2°
C27	C49	O20	108.6°	109.5°
C49	C27	H50	109.1°	109.5°
C27	C49	H86	109.2°	109.6°
O3	C28	C29	109.2°	109.5°
O3	C28	C30	111.1°	109.4°
O3	C28	H51	109.4°	109.5°
C29	C28	C30	108.7°	109.5°
C28	C29	O4	109.5°	109.5°
C29	C28	H51	109.7°	109.5°
C28	C29	H53	109.5°	109.5°
C28	C29	H52	109.5°	109.4°
C28	C30	O5	108.9°	109.5°
C28	C30	C48	111.7°	109.2°
C30	C28	H51	108.7°	109.5°
C28	C30	H55	108.5°	109.5°
O4	C29	H53	109.5°	109.5°
O4	C29	H52	109.4°	109.5°
C29	O4	H54	109.5°	114.0°
O5	C30	C48	108.9°	109.5°
C30	O5	C31	110.3°	114.0°
O5	C30	H55	110.4°	109.5°
C30	C48	O19	108.6°	109.6°
C30	C48	C49	112.0°	109.1°
C48	C30	H55	108.6°	109.6°
C30	C48	H84	108.4°	109.6°
O5	C31	O6	114.7°	109.5°
O5	C31	C36	114.7°	109.5°
O5	C31	H56	114.7°	109.4°
O19	C48	C49	108.9°	109.6°
O19	C48	H84	109.6°	109.5°
C48	O19	H85	109.5°	114.0°
C48	C49	O20	109.2°	109.5°
C49	C48	H84	109.3°	109.6°
C48	C49	H86	109.5°	109.5°
O20	C49	H86	109.6°	109.6°
C49	O20	H87	109.5°	114.0°
O21	C50	C51	108.9°	109.5°
O21	C50	H88	111.1°	109.5°
C50	O21	H89	109.5°	114.0°
C50	C51	C52	120.6°	120.0°
C51	C50	H88	108.6°	109.5°
C50	C51	H90	119.7°	120.0°
C51	C52	C53	119.8°	120.0°
C52	C51	H90	119.7°	120.0°
C51	C52	H91	120.1°	120.0°
C52	C53	C54	109.4°	109.4°
C53	C52	H91	120.1°	120.1°
C52	C53	H93	109.5°	109.5°
C52	C53	H92	109.5°	109.5°
C53	C54	C55	109.5°	109.5°
C54	C53	H93	109.5°	109.5°
C54	C53	H92	109.5°	109.5°
C53	C54	H95	109.5°	109.5°
C53	C54	H94	109.5°	109.5°
C54	C55	C56	109.3°	109.5°
C55	C54	H95	109.5°	109.4°
C55	C54	H94	109.5°	109.5°
C54	C55	H97	109.5°	109.4°
C54	C55	H96	109.5°	109.5°
C55	C56	C57	109.6°	109.5°
C56	C55	H97	109.5°	109.4°
C56	C55	H96	109.5°	109.5°
C55	C56	H99	109.4°	109.4°
C55	C56	H98	109.4°	109.5°
C56	C57	C58	109.8°	109.5°
C57	C56	H99	109.4°	109.4°
C57	C56	H98	109.4°	109.5°
C56	C57	HA1	109.4°	109.4°
C56	C57	HA0	109.4°	109.5°
C57	C58	C59	109.3°	109.5°
C58	C57	HA1	109.4°	109.4°
C58	C57	HA0	109.4°	109.5°
C57	C58	HA3	109.5°	109.4°
C57	C58	HA2	109.5°	109.5°
C58	C59	C60	109.5°	109.5°
C59	C58	HA3	109.5°	109.5°
C59	C58	HA2	109.5°	109.5°
C58	C59	HA5	109.4°	109.5°
C58	C59	HA4	109.5°	109.5°
C59	C60	C61	109.0°	109.5°
C60	C59	HA5	109.5°	109.5°
C60	C59	HA4	109.5°	109.4°
C59	C60	HA7	109.6°	109.5°
C59	C60	HA6	109.6°	109.4°
C60	C61	C62	111.4°	109.5°
C61	C60	HA7	109.6°	109.5°
C61	C60	HA6	109.6°	109.5°
C60	C61	HA9	109.0°	109.5°
C60	C61	HA8	109.0°	109.5°
C61	C62	C63	109.7°	109.5°
C62	C61	HA9	109.0°	109.5°
C62	C61	HA8	109.0°	109.4°
C61	C62	HB1	109.4°	109.5°
C61	C62	HB0	109.4°	109.4°
C62	C63	C64	109.7°	109.5°
C63	C62	HB1	109.4°	109.5°
C63	C62	HB0	109.4°	109.5°
C62	C63	HB3	109.4°	109.5°
C62	C63	HB2	109.4°	109.5°
C63	C64	C65	109.9°	109.5°
C64	C63	HB3	109.4°	109.5°
C64	C63	HB2	109.4°	109.4°
C63	C64	HB5	109.3°	109.5°
C63	C64	HB4	109.4°	109.5°
C65	C64	HB5	109.4°	109.5°
C65	C64	HB4	109.3°	109.5°
C64	C65	HB7	109.5°	109.5°
C64	C65	HB6	109.5°	109.5°
C64	C65	HB8	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H1	C1	H2	109.5°	109.5°
H3	C1	H2	109.4°	109.5°
H23	C12	H22	109.5°	109.4°
H25	C13	H24	109.4°	109.5°
H27	C14	H26	109.5°	109.5°
H29	C15	H28	109.5°	109.5°
H31	C16	H30	109.5°	109.5°
H33	C17	H32	109.5°	109.5°
H35	C18	H34	109.4°	109.5°
H37	C19	H36	109.5°	109.4°
H5	C2	H4	109.4°	109.5°
H39	C20	H38	109.5°	109.5°
H41	C21	H40	109.5°	109.5°
H43	C22	H42	109.5°	109.4°
H45	C23	H44	109.5°	109.4°
H49	C26	H48	109.4°	109.5°
H53	C29	H52	109.5°	109.5°
H7	C3	H6	109.5°	109.5°
H9	C4	H8	109.5°	109.4°
H11	C5	H10	109.5°	109.4°
H93	C53	H92	109.4°	109.5°
H95	C54	H94	109.5°	109.4°
H97	C55	H96	109.5°	109.5°
H99	C56	H98	109.5°	109.5°
HA1	C57	HA0	109.5°	109.4°
HA3	C58	HA2	109.5°	109.5°
HA5	C59	HA4	109.5°	109.4°
H13	C6	H12	109.5°	109.4°
HA7	C60	HA6	109.5°	109.4°
HA9	C61	HA8	109.5°	109.4°
HB1	C62	HB0	109.4°	109.4°
HB3	C63	HB2	109.4°	109.4°
HB5	C64	HB4	109.5°	109.4°
HB7	C65	HB6	109.4°	109.4°
HB7	C65	HB8	109.5°	109.4°
HB6	C65	HB8	109.5°	109.5°
H15	C7	H14	109.5°	109.5°
H17	C8	H16	109.5°	109.5°
H19	C9	H18	109.5°	109.5°
C31	O6	C33	90.0°	114.1°
O6	C31	C36	0.0°	109.4°
O6	C31	H56	0.0°	109.5°
O6	C33	C34	90.0°	109.4°
O6	C33	C32	90.0°	109.5°
O6	C33	H57	90.0°	109.5°
C33	C34	C35	90.0°	109.2°
C34	C33	C32	90.0°	109.5°
C33	C34	O9	90.0°	109.5°
C34	C33	H57	90.0°	109.4°
C33	C34	H58	90.0°	109.5°
C34	C35	C36	90.0°	109.0°
C35	C34	O9	90.0°	109.5°
C34	C35	O8	90.0°	109.5°
C35	C34	H58	90.0°	109.5°
C34	C35	H59	90.0°	109.6°
C35	C36	C31	90.0°	109.2°
C36	C35	O8	90.0°	109.5°
C35	C36	O10	90.0°	109.5°
C36	C35	H59	90.0°	109.6°
C35	C36	H60	90.0°	109.5°
C31	C36	O10	90.0°	109.5°
C36	C31	H56	0.0°	109.5°
C31	C36	H60	90.0°	109.5°
C33	C32	O7	90.0°	109.5°
C32	C33	H57	90.0°	109.5°
C33	C32	H61	90.0°	109.5°
C33	C32	H62	90.0°	109.4°
O7	C32	H61	90.0°	109.5°
O7	C32	H62	90.0°	109.5°
C32	O7	H63	90.0°	114.0°
O9	C34	H58	90.0°	109.6°
C34	O9	H64	90.0°	114.0°
C35	O8	C40	90.0°	114.0°
O8	C35	H59	90.0°	109.6°
O10	C36	H60	90.0°	109.6°
C36	O10	H65	90.0°	114.0°
O8	C40	C41	90.0°	109.5°
O8	C40	O15	90.0°	109.5°
O8	C40	C37	90.0°	109.5°
C40	C41	C42	90.0°	109.1°
C41	C40	O15	90.0°	109.4°
C41	C40	C37	90.0°	109.5°
C40	C41	H66	90.0°	109.6°
C40	C41	H67	90.0°	109.5°
C41	C42	C43	90.0°	109.0°
C41	C42	O11	90.0°	109.5°
C42	C41	H66	90.0°	109.5°
C42	C41	H67	90.0°	109.5°
C41	C42	H68	90.0°	109.6°
C42	C43	C44	90.0°	109.2°
C43	C42	O11	90.0°	109.5°
C42	C43	N2	90.0°	109.5°
C43	C42	H68	90.0°	109.5°
C42	C43	H69	90.0°	109.5°
C43	C44	O15	90.0°	109.4°
C43	C44	C38	90.0°	109.5°
C44	C43	N2	90.0°	109.5°
C44	C43	H69	90.0°	109.5°
C43	C44	H70	90.0°	109.5°
C44	O15	C40	90.0°	114.1°
O15	C44	C38	90.0°	109.5°
O15	C44	H70	90.0°	109.4°
O15	C40	C37	90.0°	109.5°
C40	C37	O13	90.0°	120.0°
C40	C37	O12	90.0°	120.0°
C44	C38	C39	90.0°	109.5°
C44	C38	O18	90.0°	109.5°
C38	C44	H70	90.0°	109.5°
C44	C38	H71	90.0°	109.5°
C39	C38	O18	90.0°	109.4°
C38	C39	C46	90.0°	109.4°
C38	C39	O17	90.0°	109.4°
C39	C38	H71	90.0°	109.5°
C38	C39	H72	90.0°	109.5°
O11	C42	H68	90.0°	109.6°
C42	O11	H73	90.0°	114.0°
C43	N2	C66	90.0°	120.0°
N2	C43	H69	90.0°	109.6°
C43	N2	H74	90.0°	120.0°
N2	C66	O14	90.0°	119.9°
N2	C66	C68	90.0°	120.0°
C66	N2	H74	90.0°	120.0°
O14	C66	C68	90.0°	120.1°
C66	C68	H75	90.0°	109.5°
C66	C68	H76	90.0°	109.5°
C66	C68	H77	90.0°	109.5°
O13	C37	O12	90.0°	120.1°
C37	O13	H78	90.0°	117.0°
O18	C38	H71	90.0°	109.5°
C38	O18	H79	90.0°	114.0°
C46	C39	O17	90.0°	109.5°
C39	C46	O16	90.0°	109.5°
C46	C39	H72	90.0°	109.4°
C39	C46	H80	90.0°	109.5°
C39	C46	H81	90.0°	109.4°
O17	C39	H72	90.0°	109.5°
C39	O17	H82	90.0°	114.0°
O16	C46	H80	90.0°	109.5°
O16	C46	H81	90.0°	109.5°
C46	O16	H83	90.0°	114.0°
H61	C32	H62	90.0°	109.4°
H66	C41	H67	90.0°	109.6°
H75	C68	H76	90.0°	109.5°
H75	C68	H77	90.0°	109.5°
H76	C68	H77	90.0°	109.4°
H80	C46	H81	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	H5	120.0°	120.0°
C1	C2	C3	H4	120.0°	120.0°
C1	C2	C3	C4	167.6°	180.0°
C2	C1	H1	H3	120.0°	120.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H3	H2	120.0°	120.0°
C1	C2	H5	H4	120.0°	120.0°
C1	C2	C3	H7	72.3°	60.0°
C1	C2	C3	H6	47.5°	60.0°
C2	C3	C4	H7	120.1°	120.0°
C2	C3	C4	H6	120.1°	120.0°
C2	C3	C4	C5	167.8°	180.0°
C3	C2	C1	H1	180.0°	60.0°
C3	C2	C1	H3	60.0°	60.0°
C3	C2	C1	H2	60.0°	180.0°
C3	C2	H5	H4	120.0°	120.0°
C2	C3	H7	H6	119.8°	120.0°
C2	C3	C4	H9	47.8°	60.0°
C2	C3	C4	H8	72.1°	60.0°
C3	C4	C5	H9	120.1°	120.1°
C3	C4	C5	H8	120.1°	120.0°
C3	C4	C5	C6	154.9°	180.0°
C4	C3	C2	H5	47.6°	60.0°
C4	C3	C2	H4	72.4°	60.0°
C4	C3	H7	H6	119.7°	120.0°
C3	C4	H9	H8	119.9°	120.0°
C3	C4	C5	H11	34.8°	59.9°
C3	C4	C5	H10	85.1°	60.0°
C4	C5	C6	H11	120.0°	120.1°
C4	C5	C6	H10	120.1°	120.0°
C4	C5	C6	C7	179.5°	180.0°
C5	C4	C3	H7	72.1°	60.0°
C5	C4	C3	H6	47.7°	60.1°
C5	C4	H9	H8	119.8°	120.0°
C4	C5	H11	H10	119.9°	120.0°
C4	C5	C6	H13	60.2°	59.9°
C4	C5	C6	H12	59.2°	60.0°
C5	C6	C7	H13	120.3°	120.0°
C5	C6	C7	H12	120.3°	120.0°
C5	C6	C7	C8	60.1°	180.0°
C6	C5	C4	H9	85.0°	59.9°
C6	C5	C4	H8	34.8°	60.0°
C6	C5	H11	H10	119.8°	119.9°
C5	C6	H13	H12	119.1°	119.9°
C5	C6	C7	H15	60.0°	60.0°
C5	C6	C7	H14	179.8°	60.0°
C6	C7	C8	H15	120.1°	120.0°
C6	C7	C8	H14	120.1°	120.0°
C6	C7	C8	C9	140.6°	180.0°
C7	C6	C5	H11	59.5°	60.0°
C7	C6	C5	H10	60.4°	60.0°
C7	C6	H13	H12	119.2°	120.0°
C6	C7	H15	H14	119.6°	120.0°
C6	C7	C8	H17	20.1°	60.0°
C6	C7	C8	H16	99.0°	60.0°
C7	C8	C9	H17	120.5°	120.0°
C7	C8	C9	H16	120.4°	120.0°
C7	C8	C9	C10	92.7°	180.0°
C8	C7	C6	H13	179.7°	60.0°
C8	C7	C6	H12	60.2°	60.0°
C8	C7	H15	H14	119.6°	120.0°
C7	C8	H17	H16	118.6°	120.0°
C7	C8	C9	H19	27.3°	60.0°
C7	C8	C9	H18	147.4°	60.0°
C8	C9	C10	H19	119.9°	120.0°
C8	C9	C10	H18	119.9°	120.0°
C8	C9	C10	C11	90.7°	128.8°
C8	C9	C10	H20	89.2°	51.2°
C9	C8	C7	H15	99.3°	60.0°
C9	C8	C7	H14	20.5°	60.0°
C9	C8	H17	H16	118.6°	120.0°
C8	C9	H19	H18	120.2°	120.0°
C9	C10	C11	H20	180.0°	180.0°
C9	C10	C11	C12	57.4°	7.3°
C9	C10	C11	H21	122.6°	172.7°
C10	C9	C8	H17	146.9°	60.0°
C10	C9	C8	H16	27.8°	60.0°
C10	C9	H19	H18	120.2°	120.0°
C10	C11	C12	H21	180.0°	180.0°
C10	C11	C12	C13	126.3°	128.8°
C10	C11	C12	H23	113.4°	111.1°
C10	C11	C12	H22	5.9°	8.8°
C11	C10	C9	H19	149.4°	111.2°
C11	C10	C9	H18	29.2°	8.9°
C11	C12	C13	H23	120.4°	120.0°
C11	C12	C13	H22	120.3°	120.0°
C11	C12	C13	C14	57.5°	180.0°
C12	C11	C10	H20	122.6°	172.7°
C11	C12	H23	H22	118.9°	120.0°
C11	C12	C13	H25	177.4°	60.0°
C11	C12	C13	H24	62.5°	60.0°
C12	C13	C14	H25	120.0°	120.0°
C12	C13	C14	H24	120.0°	120.0°
C12	C13	C14	C15	139.7°	180.0°
C13	C12	C11	H21	53.7°	51.2°
C13	C12	H23	H22	118.9°	120.0°
C12	C13	H25	H24	120.2°	120.0°
C12	C13	C14	H27	100.2°	60.0°
C12	C13	C14	H26	19.6°	60.0°
C13	C14	C15	H27	120.1°	120.0°
C13	C14	C15	H26	120.1°	120.0°
C13	C14	C15	C16	68.7°	180.0°
C14	C13	C12	H23	62.9°	60.0°
C14	C13	C12	H22	177.8°	60.0°
C14	C13	H25	H24	120.2°	120.0°
C13	C14	H27	H26	119.6°	120.0°
C13	C14	C15	H29	171.3°	60.0°
C13	C14	C15	H28	51.4°	60.0°
C14	C15	C16	H29	120.1°	120.0°
C14	C15	C16	H28	120.1°	120.0°
C14	C15	C16	C17	174.5°	NaN°
C15	C14	C13	H25	19.8°	60.0°
C15	C14	C13	H24	100.3°	60.0°
C15	C14	H27	H26	119.6°	120.0°
C14	C15	H29	H28	119.9°	120.0°
C14	C15	C16	H31	65.5°	60.0°
C14	C15	C16	H30	54.6°	60.0°
C15	C16	C17	H31	120.0°	120.0°
C15	C16	C17	H30	120.0°	120.0°
C15	C16	C17	C18	69.8°	180.0°
C16	C15	C14	H27	51.4°	60.0°
C16	C15	C14	H26	171.2°	60.0°
C16	C15	H29	H28	119.8°	120.0°
C15	C16	H31	H30	120.0°	120.0°
C15	C16	C17	H33	170.1°	60.0°
C15	C16	C17	H32	50.3°	60.0°
C16	C17	C18	H33	120.1°	120.0°
C16	C17	C18	H32	120.1°	120.0°
C16	C17	C18	C19	132.2°	180.0°
C17	C16	C15	H29	54.5°	60.0°
C17	C16	C15	H28	65.4°	60.0°
C17	C16	H31	H30	120.0°	120.0°
C16	C17	H33	H32	119.8°	120.0°
C16	C17	C18	H35	108.0°	60.0°
C16	C17	C18	H34	12.3°	60.0°
C17	C18	C19	H35	119.8°	120.0°
C17	C18	C19	H34	119.9°	120.0°
C17	C18	C19	C20	179.3°	180.0°
C18	C17	C16	H31	50.2°	60.0°
C18	C17	C16	H30	170.2°	60.0°
C18	C17	H33	H32	119.8°	120.0°
C17	C18	H35	H34	120.5°	120.0°
C17	C18	C19	H37	59.4°	60.0°
C17	C18	C19	H36	60.8°	60.0°
C18	C19	C20	H37	119.9°	120.0°
C18	C19	C20	H36	119.9°	120.0°
C18	C19	C20	C21	169.8°	179.9°
C19	C18	C17	H33	12.1°	60.0°
C19	C18	C17	H32	107.8°	60.0°
C19	C18	H35	H34	120.5°	120.0°
C18	C19	H37	H36	120.2°	120.0°
C18	C19	C20	H39	70.2°	60.0°
C18	C19	C20	H38	49.8°	60.0°
C19	C20	C21	H39	119.9°	119.9°
C19	C20	C21	H38	120.0°	120.0°
C19	C20	C21	C22	173.3°	180.0°
C20	C19	C18	H35	60.9°	60.0°
C20	C19	C18	H34	59.4°	60.0°
C20	C19	H37	H36	120.2°	120.0°
C19	C20	H39	H38	120.1°	120.0°
C19	C20	C21	H41	66.9°	60.1°
C19	C20	C21	H40	53.5°	60.0°
C20	C21	C22	H41	119.8°	119.9°
C20	C21	C22	H40	119.8°	120.1°
C20	C21	C22	C23	177.1°	179.9°
C21	C20	C19	H37	49.9°	60.0°
C21	C20	C19	H36	70.3°	59.9°
C21	C20	H39	H38	120.1°	120.1°
C20	C21	H41	H40	120.6°	120.1°
C20	C21	C22	H43	62.8°	60.0°
C20	C21	C22	H42	57.0°	59.9°
C21	C22	C23	H43	120.1°	120.0°
C21	C22	C23	H42	120.1°	120.0°
C21	C22	C23	C24	174.1°	179.9°
C22	C21	C20	H39	53.4°	60.1°
C22	C21	C20	H38	66.7°	60.0°
C22	C21	H41	H40	120.6°	120.0°
C21	C22	H43	H42	119.8°	120.0°
C21	C22	C23	H45	65.8°	60.0°
C21	C22	C23	H44	54.1°	60.0°
C22	C23	C24	H45	120.0°	120.1°
C22	C23	C24	H44	120.1°	120.0°
C22	C23	C24	O1	172.8°	0.1°
C22	C23	C24	N1	7.3°	180.0°
C23	C22	C21	H41	57.3°	60.0°
C23	C22	C21	H40	63.1°	60.0°
C23	C22	H43	H42	119.7°	120.0°
C22	C23	H45	H44	119.8°	120.0°
C23	C24	O1	N1	179.9°	179.9°
C23	C24	N1	C25	179.6°	180.0°
C24	C23	C22	H43	54.0°	59.9°
C24	C23	C22	H42	65.8°	60.0°
C24	C23	H45	H44	119.8°	119.9°
C23	C24	N1	H46	0.4°	0.1°
O1	C24	N1	C25	0.5°	0.1°
O1	C24	C23	H45	67.2°	120.0°
O1	C24	C23	H44	52.7°	120.1°
O1	C24	N1	H46	179.5°	180.0°
C24	N1	C25	H46	180.0°	179.9°
C24	N1	C25	C26	74.5°	155.1°
C24	N1	C25	C50	165.8°	85.0°
N1	C24	C23	H45	112.7°	59.9°
N1	C24	C23	H44	127.4°	60.1°
C24	N1	C25	H47	44.8°	35.1°
N1	C25	C26	C50	120.9°	120.0°
N1	C25	C26	H47	120.2°	119.9°
N1	C25	C50	H47	121.8°	120.1°
N1	C25	C26	O2	171.7°	65.0°
N1	C25	C50	O21	167.9°	180.0°
N1	C25	C50	C51	48.2°	60.1°
N1	C25	C26	H49	51.6°	175.0°
N1	C25	C26	H48	68.2°	55.0°
N1	C25	C50	H88	71.2°	60.0°
C26	C25	C50	H47	119.0°	120.0°
C25	C26	O2	H49	120.1°	120.0°
C25	C26	O2	H48	120.1°	120.0°
C25	C26	O2	C27	171.9°	180.0°
C26	C25	C50	O21	72.9°	60.0°
C26	C25	C50	C51	167.4°	180.0°
C25	C26	H49	H48	119.7°	120.0°
C26	C25	C50	H88	48.0°	59.9°
C26	C25	N1	H46	105.5°	25.0°
C50	C25	C26	O2	67.3°	55.0°
C25	C50	O21	C51	121.0°	120.0°
C25	C50	O21	H88	119.4°	120.0°
C25	C50	C51	H88	119.5°	120.1°
C25	C50	C51	C52	129.8°	120.0°
C50	C25	C26	H49	172.5°	65.0°
C50	C25	C26	H48	52.8°	174.9°
C25	C50	C51	H90	50.2°	59.9°
C50	C25	N1	H46	14.2°	94.9°
C25	C50	O21	H89	180.0°	60.0°
C26	O2	C27	O3	70.8°	65.0°
C26	O2	C27	C49	169.3°	175.1°
O2	C26	C25	H47	51.5°	175.1°
O2	C26	H49	H48	119.6°	120.0°
C26	O2	C27	H50	50.0°	55.0°
O2	C27	O3	C49	119.3°	119.9°
O2	C27	O3	H50	120.7°	120.1°
O2	C27	C49	H50	119.9°	120.0°
O2	C27	O3	C28	172.7°	178.9°
O2	C27	C49	C48	174.6°	177.6°
O2	C27	C49	O20	54.7°	62.5°
C27	O2	C26	H49	68.0°	60.0°
C27	O2	C26	H48	51.8°	60.0°
O2	C27	C49	H86	64.8°	57.7°
O3	C27	C49	H50	120.4°	120.0°
C27	O3	C28	C29	179.2°	178.8°
C27	O3	C28	C30	59.3°	61.2°
O3	C27	C49	C48	65.7°	57.6°
O3	C27	C49	O20	174.4°	177.5°
C27	O3	C28	H51	60.7°	58.8°
O3	C27	C49	H86	54.9°	62.3°
C49	C27	O3	C28	67.9°	61.2°
C27	C49	C48	C30	52.5°	57.0°
C27	C49	C48	O19	172.7°	176.9°
C27	C49	C48	O20	119.5°	119.9°
C27	C49	C48	H86	120.5°	119.9°
C27	C49	O20	H86	119.2°	120.2°
C27	C49	C48	H84	67.6°	63.0°
C27	C49	O20	H87	180.0°	60.0°
O3	C28	C29	C30	121.3°	120.0°
O3	C28	C29	H51	119.9°	120.0°
O3	C28	C30	H51	120.4°	120.0°
O3	C28	C29	O4	61.1°	63.6°
O3	C28	C30	O5	168.0°	177.5°
O3	C28	C30	C48	47.8°	57.6°
C28	O3	C27	H50	52.0°	58.8°
O3	C28	C29	H53	178.9°	176.4°
O3	C28	C29	H52	58.8°	56.4°
O3	C28	C30	H55	71.9°	62.4°
C29	C28	C30	H51	119.5°	120.0°
C28	C29	O4	H53	120.0°	120.0°
C28	C29	O4	H52	120.0°	120.0°
C29	C28	C30	O5	71.9°	62.5°
C29	C28	C30	C48	167.9°	177.6°
C28	C29	H53	H52	120.0°	119.9°
C29	C28	C30	H55	48.2°	57.6°
C28	C29	O4	H54	180.0°	180.0°
C30	C28	C29	O4	177.5°	176.5°
C28	C30	O5	C48	121.9°	119.7°
C28	C30	O5	H55	118.9°	120.1°
C28	C30	C48	H55	119.6°	119.9°
C28	C30	O5	C31	120.7°	157.0°
C28	C30	C48	O19	165.1°	176.9°
C28	C30	C48	C49	44.7°	57.0°
C30	C28	C29	H53	57.5°	56.4°
C30	C28	C29	H52	62.5°	63.5°
C28	C30	C48	H84	76.0°	63.0°
O4	C29	C28	H51	58.7°	56.5°
O4	C29	H53	H52	120.0°	120.0°
O5	C30	C48	H55	120.2°	120.2°
O5	C30	C48	O19	74.7°	63.2°
O5	C30	C48	C49	164.9°	176.9°
O5	C30	C28	H51	47.6°	57.5°
O5	C30	C48	H84	44.2°	56.9°
C30	O5	C31	O6	173.9°	70.2°
C30	O5	C31	C36	173.9°	169.9°
C30	O5	C31	H56	173.9°	49.8°
C48	C30	O5	C31	117.4°	83.3°
C30	C48	O19	C49	122.3°	119.6°
C30	C48	O19	H84	118.2°	120.2°
C30	C48	C49	H84	120.2°	119.9°
C30	C48	C49	O20	172.1°	176.9°
C48	C30	C28	H51	72.6°	62.4°
C30	C48	C49	H86	68.0°	63.0°
C30	C48	O19	H85	180.0°	180.0°
C31	O5	C30	H55	1.8°	36.9°
O5	C31	O6	C36	90.0°	120.0°
O5	C31	O6	H56	90.0°	120.0°
O5	C31	O6	C33	90.0°	58.8°
O5	C31	C36	C35	90.0°	62.4°
O5	C31	C36	H56	90.0°	120.0°
O5	C31	C36	O10	90.0°	57.5°
O5	C31	C36	H60	90.0°	177.7°
O19	C48	C49	H84	119.7°	120.1°
O19	C48	C49	O20	67.8°	63.2°
O19	C48	C30	H55	45.5°	56.9°
O19	C48	C49	H86	52.2°	57.0°
C48	C49	O20	H86	119.9°	120.1°
C48	C49	C27	H50	54.7°	62.4°
C49	C48	C30	H55	74.9°	63.0°
C49	C48	O19	H85	57.7°	60.4°
C48	C49	O20	H87	59.2°	179.7°
O20	C49	C27	H50	65.2°	57.5°
O20	C49	C48	H84	51.9°	56.9°
O21	C50	C51	H88	121.2°	120.0°
O21	C50	C51	C52	10.4°	120.1°
O21	C50	C25	H47	46.0°	60.0°
O21	C50	C51	H90	169.6°	60.0°
C50	C51	C52	H90	180.0°	179.9°
C50	C51	C52	C53	179.9°	179.9°
C51	C50	C25	H47	73.6°	60.0°
C50	C51	C52	H91	0.1°	0.1°
C51	C50	O21	H89	58.9°	180.0°
C51	C52	C53	H91	180.0°	180.0°
C51	C52	C53	C54	173.2°	125.0°
C52	C51	C50	H88	110.7°	0.1°
C51	C52	C53	H93	53.1°	115.0°
C51	C52	C53	H92	66.8°	5.0°
C52	C53	C54	H93	120.0°	119.9°
C52	C53	C54	H92	120.0°	120.0°
C52	C53	C54	C55	175.1°	180.0°
C53	C52	C51	H90	0.1°	0.0°
C52	C53	H93	H92	120.0°	120.0°
C52	C53	C54	H95	64.9°	60.0°
C52	C53	C54	H94	55.1°	59.9°
C53	C54	C55	H95	120.0°	120.0°
C53	C54	C55	H94	120.0°	120.1°
C53	C54	C55	C56	175.0°	180.0°
C54	C53	C52	H91	6.8°	55.0°
C54	C53	H93	H92	120.0°	120.0°
C53	C54	H95	H94	120.0°	120.0°
C53	C54	C55	H97	65.1°	60.0°
C53	C54	C55	H96	55.0°	60.0°
C54	C55	C56	H97	120.0°	120.0°
C54	C55	C56	H96	120.0°	120.1°
C54	C55	C56	C57	172.6°	180.0°
C55	C54	C53	H93	55.1°	60.1°
C55	C54	C53	H92	64.9°	60.0°
C55	C54	H95	H94	120.0°	120.0°
C54	C55	H97	H96	120.1°	120.0°
C54	C55	C56	H99	52.6°	60.0°
C54	C55	C56	H98	67.4°	59.9°
C55	C56	C57	H99	120.0°	119.9°
C55	C56	C57	H98	120.0°	120.0°
C55	C56	C57	C58	75.4°	180.0°
C56	C55	C54	H95	55.0°	60.0°
C56	C55	C54	H94	65.1°	59.9°
C56	C55	H97	H96	120.1°	119.9°
C55	C56	H99	H98	119.9°	119.9°
C55	C56	C57	HA1	44.6°	60.1°
C55	C56	C57	HA0	164.5°	59.9°
C56	C57	C58	HA1	120.0°	120.0°
C56	C57	C58	HA0	120.1°	120.1°
C56	C57	C58	C59	173.1°	180.0°
C57	C56	C55	H97	67.4°	60.0°
C57	C56	C55	H96	52.7°	59.9°
C57	C56	H99	H98	120.0°	120.0°
C56	C57	HA1	HA0	119.9°	120.0°
C56	C57	C58	HA3	53.1°	60.0°
C56	C57	C58	HA2	67.0°	59.9°
C57	C58	C59	HA3	120.0°	119.9°
C57	C58	C59	HA2	120.0°	120.0°
C57	C58	C59	C60	177.9°	180.0°
C58	C57	C56	H99	164.6°	60.1°
C58	C57	C56	H98	44.6°	60.0°
C58	C57	HA1	HA0	119.8°	120.0°
C57	C58	HA3	HA2	120.1°	119.9°
C57	C58	C59	HA5	57.9°	60.0°
C57	C58	C59	HA4	62.0°	60.0°
C58	C59	C60	HA5	120.0°	120.0°
C58	C59	C60	HA4	120.0°	120.1°
C58	C59	C60	C61	178.3°	180.0°
C59	C58	C57	HA1	66.9°	60.0°
C59	C58	C57	HA0	53.0°	59.9°
C59	C58	HA3	HA2	120.1°	120.1°
C58	C59	HA5	HA4	120.0°	120.1°
C58	C59	C60	HA7	58.3°	60.0°
C58	C59	C60	HA6	61.8°	60.0°
C59	C60	C61	HA7	119.9°	120.0°
C59	C60	C61	HA6	119.9°	120.0°
C59	C60	C61	C62	132.4°	180.0°
C60	C59	C58	HA3	62.1°	60.0°
C60	C59	C58	HA2	58.0°	60.0°
C60	C59	HA5	HA4	120.0°	119.9°
C59	C60	HA7	HA6	120.2°	119.9°
C59	C60	C61	HA9	12.1°	60.0°
C59	C60	C61	HA8	107.3°	60.0°
C60	C61	C62	HA9	120.3°	120.1°
C60	C61	C62	HA8	120.3°	120.0°
C60	C61	C62	C63	111.6°	180.0°
C61	C60	C59	HA5	61.7°	59.9°
C61	C60	C59	HA4	58.2°	60.0°
C61	C60	HA7	HA6	120.2°	120.0°
C60	C61	HA9	HA8	119.1°	120.0°
C60	C61	C62	HB1	8.4°	59.9°
C60	C61	C62	HB0	128.3°	60.0°
C61	C62	C63	HB1	120.0°	120.0°
C61	C62	C63	HB0	120.1°	120.0°
C61	C62	C63	C64	162.8°	180.0°
C62	C61	C60	HA7	107.7°	60.0°
C62	C61	C60	HA6	12.5°	60.0°
C62	C61	HA9	HA8	119.1°	119.9°
C61	C62	HB1	HB0	119.9°	119.9°
C61	C62	C63	HB3	42.7°	60.0°
C61	C62	C63	HB2	77.2°	60.0°
C62	C63	C64	HB3	120.1°	120.1°
C62	C63	C64	HB2	120.1°	120.0°
C62	C63	C64	C65	77.2°	180.0°
C63	C62	C61	HA9	128.1°	59.9°
C63	C62	C61	HA8	8.6°	60.0°
C63	C62	HB1	HB0	119.9°	120.0°
C62	C63	HB3	HB2	119.9°	120.0°
C62	C63	C64	HB5	42.9°	59.9°
C62	C63	C64	HB4	162.8°	60.0°
C63	C64	C65	HB5	120.0°	120.0°
C63	C64	C65	HB4	120.1°	120.0°
C64	C63	C62	HB1	77.2°	60.0°
C64	C63	C62	HB0	42.7°	60.0°
C64	C63	HB3	HB2	119.9°	119.9°
C63	C64	HB5	HB4	119.8°	120.0°
C63	C64	C65	HB7	180.0°	60.0°
C63	C64	C65	HB6	60.0°	60.0°
C63	C64	C65	HB8	60.0°	180.0°
C65	C64	C63	HB3	162.8°	59.9°
C65	C64	C63	HB2	42.9°	60.0°
C65	C64	HB5	HB4	119.8°	120.0°
C64	C65	HB7	HB6	120.0°	120.0°
C64	C65	HB7	HB8	120.0°	120.1°
C64	C65	HB6	HB8	120.0°	120.1°
H1	C1	H3	H2	120.0°	120.0°
H1	C1	C2	H5	60.0°	60.0°
H1	C1	C2	H4	60.0°	180.0°
H3	C1	C2	H5	60.0°	180.0°
H3	C1	C2	H4	180.0°	60.0°
H2	C1	C2	H5	180.0°	60.0°
H2	C1	C2	H4	60.0°	60.0°
H20	C10	C11	H21	57.4°	7.3°
H20	C10	C9	H19	30.7°	68.9°
H20	C10	C9	H18	150.8°	171.1°
H21	C11	C12	H23	66.7°	68.8°
H21	C11	C12	H22	174.0°	171.2°
H23	C12	C13	H25	57.1°	179.9°
H23	C12	C13	H24	177.2°	60.1°
H22	C12	C13	H25	62.2°	60.0°
H22	C12	C13	H24	57.9°	180.0°
H25	C13	C14	H27	139.9°	180.0°
H25	C13	C14	H26	100.3°	60.0°
H24	C13	C14	H27	19.8°	60.0°
H24	C13	C14	H26	139.6°	180.0°
H27	C14	C15	H29	68.6°	NaN°
H27	C14	C15	H28	171.5°	60.0°
H26	C14	C15	H29	51.1°	60.0°
H26	C14	C15	H28	68.8°	180.0°
H29	C15	C16	H31	174.5°	180.0°
H29	C15	C16	H30	65.5°	60.0°
H28	C15	C16	H31	54.6°	60.0°
H28	C15	C16	H30	174.6°	180.0°
H31	C16	C17	H33	69.9°	180.0°
H31	C16	C17	H32	170.3°	60.0°
H30	C16	C17	H33	50.1°	60.0°
H30	C16	C17	H32	69.7°	180.0°
H33	C17	C18	H35	131.9°	180.0°
H33	C17	C18	H34	107.8°	60.0°
H32	C17	C18	H35	12.1°	60.0°
H32	C17	C18	H34	132.4°	180.0°
H35	C18	C19	H37	179.2°	180.0°
H35	C18	C19	H36	59.1°	60.0°
H34	C18	C19	H37	60.5°	60.0°
H34	C18	C19	H36	179.4°	180.0°
H37	C19	C20	H39	169.8°	180.0°
H37	C19	C20	H38	70.1°	60.1°
H36	C19	C20	H39	49.7°	60.0°
H36	C19	C20	H38	169.7°	180.0°
H5	C2	C3	H7	167.7°	180.0°
H5	C2	C3	H6	72.5°	60.0°
H4	C2	C3	H7	47.7°	60.0°
H4	C2	C3	H6	167.6°	NaN°
H39	C20	C21	H41	173.2°	180.0°
H39	C20	C21	H40	66.4°	60.0°
H38	C20	C21	H41	53.1°	60.0°
H38	C20	C21	H40	173.5°	180.0°
H41	C21	C22	H43	177.4°	180.0°
H41	C21	C22	H42	62.8°	60.0°
H40	C21	C22	H43	57.0°	60.1°
H40	C21	C22	H42	176.8°	180.0°
H43	C22	C23	H45	174.1°	180.0°
H43	C22	C23	H44	66.0°	60.0°
H42	C22	C23	H45	54.3°	60.1°
H42	C22	C23	H44	174.1°	180.0°
H47	C25	C26	H49	68.6°	55.1°
H47	C25	C26	H48	171.6°	65.0°
H47	C25	C50	H88	166.9°	179.9°
H47	C25	N1	H46	135.2°	145.0°
H50	C27	C49	H86	175.4°	177.7°
H51	C28	C29	H53	61.3°	63.6°
H51	C28	C29	H52	178.7°	176.5°
H51	C28	C30	H55	167.7°	177.6°
H53	C29	O4	H54	60.0°	60.0°
H52	C29	O4	H54	60.0°	60.0°
H7	C3	C4	H9	167.9°	180.0°
H7	C3	C4	H8	48.0°	60.0°
H6	C3	C4	H9	72.3°	60.0°
H6	C3	C4	H8	167.8°	179.9°
H55	C30	C48	H84	164.4°	177.1°
H9	C4	C5	H11	154.9°	180.0°
H9	C4	C5	H10	35.0°	60.0°
H8	C4	C5	H11	85.2°	60.0°
H8	C4	C5	H10	154.9°	180.0°
H84	C48	C49	H86	171.9°	177.1°
H84	C48	O19	H85	61.8°	59.8°
H86	C49	O20	H87	60.8°	60.2°
H11	C5	C6	H13	179.8°	180.0°
H11	C5	C6	H12	60.8°	60.1°
H10	C5	C6	H13	59.9°	60.1°
H10	C5	C6	H12	179.3°	NaN°
H88	C50	C51	H90	69.3°	180.0°
H88	C50	O21	H89	60.7°	60.0°
H90	C51	C52	H91	179.9°	180.0°
H91	C52	C53	H93	126.8°	65.0°
H91	C52	C53	H92	113.2°	175.0°
H93	C53	C54	H95	175.1°	180.0°
H93	C53	C54	H94	64.9°	60.0°
H92	C53	C54	H95	55.1°	60.0°
H92	C53	C54	H94	175.1°	179.9°
H95	C54	C55	H97	174.9°	180.0°
H95	C54	C55	H96	65.0°	60.0°
H94	C54	C55	H97	54.9°	60.0°
H94	C54	C55	H96	175.0°	180.0°
H97	C55	C56	H99	172.6°	180.0°
H97	C55	C56	H98	52.6°	60.1°
H96	C55	C56	H99	67.3°	60.1°
H96	C55	C56	H98	172.7°	180.0°
H99	C56	C57	HA1	75.4°	NaN°
H99	C56	C57	HA0	44.5°	60.0°
H98	C56	C57	HA1	164.6°	60.0°
H98	C56	C57	HA0	75.5°	180.0°
HA1	C57	C58	HA3	173.1°	180.0°
HA1	C57	C58	HA2	53.1°	60.1°
HA0	C57	C58	HA3	67.0°	60.1°
HA0	C57	C58	HA2	173.0°	180.0°
HA3	C58	C59	HA5	177.9°	180.0°
HA3	C58	C59	HA4	57.9°	60.0°
HA2	C58	C59	HA5	62.1°	60.0°
HA2	C58	C59	HA4	178.0°	180.0°
HA5	C59	C60	HA7	178.3°	180.0°
HA5	C59	C60	HA6	58.2°	60.1°
HA4	C59	C60	HA7	61.7°	60.1°
HA4	C59	C60	HA6	178.2°	180.0°
H13	C6	C7	H15	60.2°	180.0°
H13	C6	C7	H14	59.5°	60.0°
H12	C6	C7	H15	179.7°	60.0°
H12	C6	C7	H14	59.9°	180.0°
HA7	C60	C61	HA9	132.0°	180.0°
HA7	C60	C61	HA8	12.6°	60.0°
HA6	C60	C61	HA9	107.8°	60.0°
HA6	C60	C61	HA8	132.8°	180.0°
HA9	C61	C62	HB1	111.9°	180.0°
HA9	C61	C62	HB0	8.0°	60.1°
HA8	C61	C62	HB1	128.7°	60.1°
HA8	C61	C62	HB0	111.4°	180.0°
HB1	C62	C63	HB3	162.7°	180.0°
HB1	C62	C63	HB2	42.9°	60.0°
HB0	C62	C63	HB3	77.3°	60.0°
HB0	C62	C63	HB2	162.8°	180.0°
HB3	C63	C64	HB5	77.2°	180.0°
HB3	C63	C64	HB4	42.7°	60.1°
HB2	C63	C64	HB5	162.9°	60.1°
HB2	C63	C64	HB4	77.2°	180.0°
HB5	C64	C65	HB7	60.0°	180.0°
HB5	C64	C65	HB6	180.0°	60.0°
HB5	C64	C65	HB8	60.0°	60.0°
HB4	C64	C65	HB7	59.9°	60.1°
HB4	C64	C65	HB6	60.1°	180.0°
HB4	C64	C65	HB8	179.9°	59.9°
HB7	C65	HB6	HB8	120.0°	119.9°
H15	C7	C8	H17	140.3°	180.0°
H15	C7	C8	H16	21.2°	60.0°
H14	C7	C8	H17	100.0°	59.9°
H14	C7	C8	H16	140.9°	NaN°
H17	C8	C9	H19	93.2°	60.0°
H17	C8	C9	H18	26.9°	180.0°
H16	C8	C9	H19	147.7°	180.0°
H16	C8	C9	H18	92.1°	60.0°
C31	O6	C33	C34	90.0°	61.1°
O6	C31	C36	C35	90.0°	57.6°
O6	C31	C36	H56	90.0°	120.0°
C31	O6	C33	C32	90.0°	178.9°
O6	C31	C36	O10	90.0°	177.5°
C31	O6	C33	H57	90.0°	58.8°
O6	C31	C36	H60	90.0°	62.3°
O6	C33	C34	C32	90.0°	120.0°
O6	C33	C34	H57	90.0°	120.0°
O6	C33	C34	C35	90.0°	57.6°
C33	O6	C31	C36	90.0°	61.1°
O6	C33	C32	H57	90.0°	120.1°
O6	C33	C32	O7	90.0°	65.0°
O6	C33	C34	O9	90.0°	62.3°
C33	O6	C31	H56	90.0°	178.8°
O6	C33	C34	H58	90.0°	177.5°
O6	C33	C32	H61	90.0°	175.0°
O6	C33	C32	H62	90.0°	55.0°
C33	C34	C35	O9	90.0°	119.9°
C33	C34	C35	H58	90.0°	119.9°
C33	C34	C35	C36	90.0°	57.0°
C34	C33	C32	H57	90.0°	120.0°
C34	C33	C32	O7	90.0°	175.1°
C33	C34	O9	H58	90.0°	120.1°
C33	C34	C35	O8	90.0°	176.8°
C33	C34	C35	H59	90.0°	62.9°
C34	C33	C32	H61	90.0°	55.0°
C34	C33	C32	H62	90.0°	64.9°
C33	C34	O9	H64	90.0°	60.0°
C34	C35	C36	O8	90.0°	119.8°
C34	C35	C36	H59	90.0°	119.9°
C34	C35	C36	C31	90.0°	57.0°
C35	C34	C33	C32	90.0°	177.6°
C35	C34	O9	H58	90.0°	120.2°
C34	C35	O8	H59	90.0°	120.2°
C34	C35	C36	O10	90.0°	176.9°
C34	C35	O8	C40	90.0°	129.5°
C35	C34	C33	H57	90.0°	62.4°
C34	C35	C36	H60	90.0°	62.9°
C35	C34	O9	H64	90.0°	179.7°
C35	C36	C31	O10	90.0°	119.9°
C35	C36	C31	H60	90.0°	119.9°
C36	C35	C34	O9	90.0°	62.9°
C36	C35	O8	H59	90.0°	120.2°
C35	C36	O10	H60	90.0°	120.2°
C36	C35	O8	C40	90.0°	111.0°
C35	C36	C31	H56	90.0°	177.6°
C36	C35	C34	H58	90.0°	176.9°
C35	C36	O10	H65	90.0°	180.0°
C31	C36	C35	O8	90.0°	176.8°
C31	C36	O10	H60	90.0°	120.1°
C31	C36	C35	H59	90.0°	62.9°
C31	C36	O10	H65	90.0°	60.3°
C33	C32	O7	H61	90.0°	120.0°
C33	C32	O7	H62	90.0°	120.0°
C32	C33	C34	O9	90.0°	57.7°
C32	C33	C34	H58	90.0°	62.5°
C33	C32	H61	H62	90.0°	120.0°
C33	C32	O7	H63	90.0°	180.0°
O7	C32	C33	H57	90.0°	55.1°
O7	C32	H61	H62	90.0°	120.0°
O9	C34	C35	O8	90.0°	56.9°
O9	C34	C33	H57	90.0°	177.7°
O9	C34	C35	H59	90.0°	177.2°
O8	C35	C36	O10	90.0°	63.3°
C35	O8	C40	C41	90.0°	177.9°
C35	O8	C40	O15	90.0°	57.9°
C35	O8	C40	C37	90.0°	62.1°
O8	C35	C34	H58	90.0°	63.3°
O8	C35	C36	H60	90.0°	56.9°
O10	C36	C31	H56	90.0°	62.5°
O10	C36	C35	H59	90.0°	57.0°
O8	C40	C41	O15	90.0°	120.0°
O8	C40	C41	C37	90.0°	120.0°
O8	C40	C41	C42	90.0°	62.4°
O8	C40	O15	C44	90.0°	58.8°
O8	C40	O15	C37	90.0°	120.0°
O8	C40	C37	O13	90.0°	65.0°
O8	C40	C37	O12	90.0°	115.0°
C40	O8	C35	H59	90.0°	9.2°
O8	C40	C41	H66	90.0°	177.7°
O8	C40	C41	H67	90.0°	57.5°
C40	C41	C42	H66	90.0°	119.9°
C40	C41	C42	H67	90.0°	119.9°
C40	C41	C42	C43	90.0°	57.0°
C41	C40	O15	C44	90.0°	61.2°
C41	C40	O15	C37	90.0°	120.0°
C40	C41	C42	O11	90.0°	176.8°
C41	C40	C37	O13	90.0°	55.0°
C41	C40	C37	O12	90.0°	125.0°
C40	C41	H66	H67	90.0°	120.2°
C40	C41	C42	H68	90.0°	62.9°
C41	C42	C43	O11	90.0°	119.8°
C41	C42	C43	H68	90.0°	119.9°
C41	C42	C43	C44	90.0°	57.0°
C42	C41	C40	O15	90.0°	57.6°
C42	C41	C40	C37	90.0°	177.6°
C41	C42	O11	H68	90.0°	120.3°
C41	C42	C43	N2	90.0°	62.9°
C42	C41	H66	H67	90.0°	120.2°
C41	C42	C43	H69	90.0°	176.9°
C41	C42	O11	H73	90.0°	60.0°
C42	C43	C44	N2	90.0°	119.9°
C42	C43	C44	H69	90.0°	119.9°
C42	C43	C44	O15	90.0°	57.6°
C42	C43	C44	C38	90.0°	177.6°
C43	C42	O11	H68	90.0°	120.2°
C42	C43	N2	H69	90.0°	120.1°
C42	C43	N2	C66	90.0°	85.0°
C43	C42	C41	H66	90.0°	62.9°
C43	C42	C41	H67	90.0°	176.9°
C42	C43	C44	H70	90.0°	62.3°
C43	C42	O11	H73	90.0°	179.5°
C42	C43	N2	H74	90.0°	95.1°
C43	C44	O15	C38	90.0°	120.0°
C43	C44	O15	H70	90.0°	120.0°
C43	C44	O15	C40	90.0°	61.2°
C43	C44	C38	H70	90.0°	120.1°
C43	C44	C38	C39	90.0°	175.0°
C44	C43	C42	O11	90.0°	176.8°
C44	C43	N2	H69	90.0°	120.2°
C44	C43	N2	C66	90.0°	155.3°
C43	C44	C38	O18	90.0°	55.0°
C44	C43	C42	H68	90.0°	62.9°
C43	C44	C38	H71	90.0°	65.0°
C44	C43	N2	H74	90.0°	24.6°
C44	O15	C40	C37	90.0°	178.9°
O15	C44	C38	H70	90.0°	120.0°
O15	C44	C38	C39	90.0°	55.0°
O15	C44	C43	N2	90.0°	62.3°
O15	C44	C38	O18	90.0°	64.9°
O15	C44	C43	H69	90.0°	177.5°
O15	C44	C38	H71	90.0°	175.0°
C40	O15	C44	C38	90.0°	178.8°
O15	C40	C37	O13	90.0°	175.0°
O15	C40	C37	O12	90.0°	5.0°
O15	C40	C41	H66	90.0°	62.3°
O15	C40	C41	H67	90.0°	177.5°
C40	O15	C44	H70	90.0°	58.8°
C40	C37	O13	O12	90.0°	180.0°
C37	C40	C41	H66	90.0°	57.7°
C37	C40	C41	H67	90.0°	62.5°
C40	C37	O13	H78	90.0°	180.0°
C44	C38	C39	O18	90.0°	120.0°
C44	C38	C39	H71	90.0°	120.0°
C38	C44	C43	N2	90.0°	57.7°
C44	C38	O18	H71	90.0°	120.0°
C44	C38	C39	C46	90.0°	180.0°
C44	C38	C39	O17	90.0°	60.0°
C38	C44	C43	H69	90.0°	62.5°
C44	C38	C39	H72	90.0°	60.0°
C44	C38	O18	H79	90.0°	60.0°
C39	C38	O18	H71	90.0°	120.0°
C38	C39	C46	O17	90.0°	120.0°
C38	C39	C46	H72	90.0°	120.0°
C38	C39	O17	H72	90.0°	120.1°
C38	C39	C46	O16	90.0°	175.0°
C39	C38	C44	H70	90.0°	65.0°
C39	C38	O18	H79	90.0°	59.9°
C38	C39	C46	H80	90.0°	55.0°
C38	C39	C46	H81	90.0°	65.0°
C38	C39	O17	H82	90.0°	60.0°
O11	C42	C43	N2	90.0°	56.9°
O11	C42	C41	H66	90.0°	56.9°
O11	C42	C41	H67	90.0°	63.3°
O11	C42	C43	H69	90.0°	63.3°
C43	N2	C66	H74	90.0°	179.9°
C43	N2	C66	O14	90.0°	0.0°
C43	N2	C66	C68	90.0°	179.9°
N2	C43	C42	H68	90.0°	177.2°
N2	C43	C44	H70	90.0°	177.8°
N2	C66	O14	C68	90.0°	180.0°
C66	N2	C43	H69	90.0°	35.1°
N2	C66	C68	H75	90.0°	60.0°
N2	C66	C68	H76	90.0°	180.0°
N2	C66	C68	H77	90.0°	60.0°
O14	C66	N2	H74	90.0°	179.9°
O14	C66	C68	H75	90.0°	120.0°
O14	C66	C68	H76	90.0°	0.0°
O14	C66	C68	H77	90.0°	119.9°
C68	C66	N2	H74	90.0°	0.0°
C66	C68	H75	H76	90.0°	120.0°
C66	C68	H75	H77	90.0°	120.0°
C66	C68	H76	H77	90.0°	120.0°
O12	C37	O13	H78	90.0°	0.0°
O18	C38	C39	C46	90.0°	60.0°
O18	C38	C39	O17	90.0°	180.0°
O18	C38	C44	H70	90.0°	175.1°
O18	C38	C39	H72	90.0°	60.0°
C46	C39	O17	H72	90.0°	120.0°
C39	C46	O16	H80	90.0°	120.0°
C39	C46	O16	H81	90.0°	120.0°
C46	C39	C38	H71	90.0°	60.0°
C39	C46	H80	H81	90.0°	120.0°
C46	C39	O17	H82	90.0°	59.9°
C39	C46	O16	H83	90.0°	180.0°
O17	C39	C46	O16	90.0°	65.0°
O17	C39	C38	H71	90.0°	60.0°
O17	C39	C46	H80	90.0°	175.0°
O17	C39	C46	H81	90.0°	55.0°
O16	C46	C39	H72	90.0°	55.0°
O16	C46	H80	H81	90.0°	120.0°
H56	C31	C36	H60	90.0°	57.7°
H57	C33	C34	H58	90.0°	57.5°
H57	C33	C32	H61	90.0°	64.9°
H57	C33	C32	H62	90.0°	175.1°
H58	C34	C35	H59	90.0°	57.0°
H58	C34	O9	H64	90.0°	60.1°
H59	C35	C36	H60	90.0°	177.2°
H60	C36	O10	H65	90.0°	59.8°
H61	C32	O7	H63	90.0°	60.0°
H62	C32	O7	H63	90.0°	60.0°
H66	C41	C42	H68	90.0°	177.2°
H67	C41	C42	H68	90.0°	57.0°
H68	C42	C43	H69	90.0°	57.0°
H68	C42	O11	H73	90.0°	60.2°
H69	C43	C44	H70	90.0°	57.5°
H69	C43	N2	H74	90.0°	144.8°
H70	C44	C38	H71	90.0°	55.1°
H71	C38	C39	H72	90.0°	180.0°
H71	C38	O18	H79	90.0°	180.0°
H72	C39	C46	H80	90.0°	65.0°
H72	C39	C46	H81	90.0°	175.0°
H72	C39	O17	H82	90.0°	179.9°
H75	C68	H76	H77	90.0°	120.0°
H80	C46	O16	H83	90.0°	60.0°
H81	C46	O16	H83	90.0°	60.0°

Release date:	2026-10-07
Definition date:	2026-06-30
Last modified:	2026-10-02
Release status:	REL
Processing site:	PDBE
Derived from:	9TYV