A1B94

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.51Å	1.55Å
C03	C02	sing	1.51Å	1.55Å
C02	C04	doub	1.31Å	1.34Å
C04	C05	sing	1.51Å	1.55Å
C05	C06	sing	1.53Å	1.56Å
C06	C07	sing	1.51Å	1.56Å
C08	C07	sing	1.51Å	1.55Å
C07	C09	doub	1.31Å	1.35Å
C09	C10	sing	1.51Å	1.56Å
C10	O11	sing	1.43Å	1.42Å
O11	P12	sing	1.61Å	1.67Å
C19	O20	sing	1.43Å	1.41Å
C19	C18	sing	1.53Å	1.56Å
C18	O17	sing	1.43Å	1.47Å
C18	C21	sing	1.53Å	1.54Å
P12	O15	sing	1.61Å	1.67Å
P12	O14	doub	1.48Å	1.51Å
P12	O13	sing	1.61Å	1.51Å
O17	C16	sing	1.43Å	1.47Å
O15	C16	sing	1.43Å	1.42Å
C21	O22	sing	1.43Å	1.41Å
C21	C23	sing	1.53Å	1.48Å
C16	C25	sing	1.53Å	1.54Å
C23	C25	sing	1.53Å	1.47Å
C23	O24	sing	1.43Å	1.41Å
C25	O26	sing	1.43Å	1.41Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.08Å	1.08Å
C05	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
C06	H12	sing	1.09Å	1.10Å
C06	H13	sing	1.09Å	1.10Å
C08	H14	sing	1.09Å	1.10Å
C08	H15	sing	1.09Å	1.10Å
C08	H16	sing	1.09Å	1.10Å
C09	H17	sing	1.08Å	1.08Å
C10	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å
C16	H20	sing	1.09Å	1.10Å
C18	H21	sing	1.09Å	1.10Å
C19	H22	sing	1.09Å	1.10Å
C19	H23	sing	1.09Å	1.10Å
C21	H24	sing	1.09Å	1.10Å
C23	H25	sing	1.09Å	1.10Å
C25	H26	sing	1.09Å	1.10Å
O13	H27	sing	0.97Å	0.95Å
O20	H28	sing	0.97Å	0.95Å
O22	H29	sing	0.97Å	0.95Å
O24	H30	sing	0.97Å	0.95Å
O26	H31	sing	0.97Å	0.95Å
C01	C1	sing	1.53Å	186.63Å
C1	C2	sing	1.51Å	0.00Å
C2	C3	doub	1.31Å	0.00Å
C3	C4	sing	1.51Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
C5	C6	sing	1.51Å	0.00Å
C6	C7	doub	1.31Å	0.00Å
C7	C8	sing	1.51Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C9	C11	sing	1.51Å	0.00Å
C11	C12	doub	1.31Å	0.00Å
C12	C13	sing	1.51Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.51Å	0.00Å
C15	C17	doub	1.31Å	0.00Å
C17	C20	sing	1.51Å	0.00Å
C20	C22	sing	1.53Å	0.00Å
C22	C24	sing	1.51Å	0.00Å
C24	C26	doub	1.31Å	0.00Å
C26	C27	sing	1.51Å	0.00Å
C27	C28	sing	1.53Å	0.00Å
C28	C29	sing	1.51Å	0.00Å
C29	C30	doub	1.31Å	0.00Å
C30	C31	sing	1.51Å	0.00Å
C31	C32	sing	1.53Å	0.00Å
C32	C33	sing	1.51Å	0.00Å
C33	C34	doub	1.31Å	0.00Å
C34	C35	sing	1.51Å	0.00Å
C35	C36	sing	1.53Å	0.00Å
C36	C37	sing	1.51Å	0.00Å
C37	C38	doub	1.31Å	0.00Å
C38	C39	sing	1.51Å	0.00Å
C39	C40	sing	1.53Å	0.00Å
C40	C41	sing	1.51Å	0.00Å
C41	C42	doub	1.31Å	0.00Å
C42	C43	sing	1.51Å	0.00Å
C3	C44	sing	1.51Å	0.00Å
C7	C45	sing	1.51Å	0.00Å
C12	C46	sing	1.51Å	0.00Å
C17	C47	sing	1.51Å	0.00Å
C26	C48	sing	1.51Å	0.00Å
C30	C49	sing	1.51Å	0.00Å
C34	C50	sing	1.51Å	0.00Å
C38	C51	sing	1.51Å	0.00Å
C42	C52	sing	1.51Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C1	H4	sing	1.09Å	0.00Å
C2	H9	sing	1.08Å	0.00Å
C4	H32	sing	1.09Å	0.00Å
C4	H33	sing	1.09Å	0.00Å
C5	H34	sing	1.09Å	0.00Å
C5	H35	sing	1.09Å	0.00Å
C6	H36	sing	1.08Å	0.00Å
C8	H37	sing	1.09Å	0.00Å
C8	H38	sing	1.09Å	0.00Å
C9	H39	sing	1.09Å	0.00Å
C9	H40	sing	1.09Å	0.00Å
C11	H41	sing	1.08Å	0.00Å
C13	H42	sing	1.09Å	0.00Å
C13	H43	sing	1.09Å	0.00Å
C14	H44	sing	1.09Å	0.00Å
C14	H45	sing	1.09Å	0.00Å
C15	H46	sing	1.08Å	0.00Å
C20	H47	sing	1.09Å	0.00Å
C20	H48	sing	1.09Å	0.00Å
C22	H49	sing	1.09Å	0.00Å
C22	H50	sing	1.09Å	0.00Å
C24	H51	sing	1.08Å	0.00Å
C27	H52	sing	1.09Å	0.00Å
C27	H53	sing	1.09Å	0.00Å
C28	H54	sing	1.09Å	0.00Å
C28	H55	sing	1.09Å	0.00Å
C29	H56	sing	1.08Å	0.00Å
C31	H57	sing	1.09Å	0.00Å
C31	H58	sing	1.09Å	0.00Å
C32	H59	sing	1.09Å	0.00Å
C32	H60	sing	1.09Å	0.00Å
C33	H61	sing	1.08Å	0.00Å
C35	H62	sing	1.09Å	0.00Å
C35	H63	sing	1.09Å	0.00Å
C36	H64	sing	1.09Å	0.00Å
C36	H65	sing	1.09Å	0.00Å
C37	H66	sing	1.08Å	0.00Å
C39	H67	sing	1.09Å	0.00Å
C39	H68	sing	1.09Å	0.00Å
C40	H69	sing	1.09Å	0.00Å
C40	H70	sing	1.09Å	0.00Å
C41	H71	sing	1.08Å	0.00Å
C43	H72	sing	1.09Å	0.00Å
C43	H73	sing	1.09Å	0.00Å
C43	H74	sing	1.09Å	0.00Å
C44	H75	sing	1.09Å	0.00Å
C44	H76	sing	1.09Å	0.00Å
C44	H77	sing	1.09Å	0.00Å
C45	H78	sing	1.09Å	0.00Å
C45	H79	sing	1.09Å	0.00Å
C45	H80	sing	1.09Å	0.00Å
C46	H81	sing	1.09Å	0.00Å
C46	H82	sing	1.09Å	0.00Å
C46	H83	sing	1.09Å	0.00Å
C47	H84	sing	1.09Å	0.00Å
C47	H85	sing	1.09Å	0.00Å
C47	H86	sing	1.09Å	0.00Å
C48	H87	sing	1.09Å	0.00Å
C48	H88	sing	1.09Å	0.00Å
C48	H89	sing	1.09Å	0.00Å
C49	H90	sing	1.09Å	0.00Å
C49	H91	sing	1.09Å	0.00Å
C49	H92	sing	1.09Å	0.00Å
C50	H93	sing	1.09Å	0.00Å
C50	H94	sing	1.09Å	0.00Å
C50	H95	sing	1.09Å	0.00Å
C51	H96	sing	1.09Å	0.00Å
C51	H97	sing	1.09Å	0.00Å
C51	H98	sing	1.09Å	0.00Å
C52	H99	sing	1.09Å	0.00Å
C52	H100	sing	1.09Å	0.00Å
C52	H101	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	96.2°	120.0°
C01	C02	C04	132.1°	120.0°
C02	C01	H1	93.5°	109.5°
C02	C01	H2	93.5°	109.4°
C02	C01	C1	167.9°	109.5°
C03	C02	C04	131.6°	120.0°
C02	C03	H5	109.5°	109.5°
C02	C03	H6	109.5°	109.5°
C02	C03	H7	109.5°	109.4°
C02	C04	C05	110.8°	120.0°
C02	C04	H8	124.6°	120.0°
C04	C05	C06	112.4°	109.4°
C05	C04	H8	124.6°	120.1°
C04	C05	H10	108.7°	109.4°
C04	C05	H11	108.7°	109.5°
C05	C06	C07	112.5°	109.5°
C06	C05	H10	108.7°	109.5°
C06	C05	H11	108.7°	109.5°
C05	C06	H12	108.7°	109.5°
C05	C06	H13	108.7°	109.5°
C06	C07	C08	120.1°	120.0°
C06	C07	C09	120.1°	120.0°
C07	C06	H12	108.7°	109.5°
C07	C06	H13	108.7°	109.4°
C08	C07	C09	119.7°	120.0°
C07	C08	H14	109.5°	109.5°
C07	C08	H15	109.5°	109.5°
C07	C08	H16	109.5°	109.5°
C07	C09	C10	120.1°	120.0°
C07	C09	H17	120.0°	120.0°
C09	C10	O11	107.7°	109.5°
C10	C09	H17	120.0°	120.0°
C09	C10	H18	109.9°	109.5°
C09	C10	H19	109.9°	109.5°
C10	O11	P12	118.0°	123.0°
O11	C10	H18	109.9°	109.5°
O11	C10	H19	109.9°	109.4°
O11	P12	O15	109.1°	109.5°
O11	P12	O14	109.3°	109.5°
O11	P12	O13	109.5°	109.5°
O20	C19	C18	109.2°	109.5°
O20	C19	H22	109.5°	109.5°
O20	C19	H23	109.5°	109.5°
C19	O20	H28	109.5°	114.0°
C19	C18	O17	109.0°	109.4°
C19	C18	C21	109.5°	109.5°
C19	C18	H21	108.5°	109.5°
C18	C19	H22	109.5°	109.5°
C18	C19	H23	109.5°	109.4°
O17	C18	C21	111.5°	109.4°
C18	O17	C16	113.0°	114.1°
O17	C18	H21	109.6°	109.5°
C18	C21	O22	108.9°	109.5°
C18	C21	C23	111.6°	109.2°
C21	C18	H21	108.7°	109.5°
C18	C21	H24	108.4°	109.5°
O15	P12	O14	109.8°	109.5°
O15	P12	O13	110.0°	109.5°
P12	O15	C16	118.0°	123.0°
O14	P12	O13	109.2°	109.5°
P12	O13	H27	109.5°	114.0°
O17	C16	O15	109.6°	109.5°
O17	C16	C25	113.2°	109.4°
O17	C16	H20	108.3°	109.5°
O15	C16	C25	109.1°	109.5°
O15	C16	H20	109.1°	109.5°
O22	C21	C23	108.8°	109.6°
O22	C21	H24	110.0°	109.5°
C21	O22	H29	109.5°	114.0°
C21	C23	C25	113.0°	109.0°
C21	C23	O24	108.8°	109.5°
C23	C21	H24	109.1°	109.6°
C21	C23	H25	108.6°	109.6°
C16	C25	C23	113.2°	109.2°
C16	C25	O26	108.7°	109.5°
C25	C16	H20	107.5°	109.5°
C16	C25	H26	108.0°	109.5°
C25	C23	O24	108.4°	109.5°
C23	C25	O26	108.4°	109.5°
C25	C23	H25	108.5°	109.5°
C23	C25	H26	108.8°	109.5°
O24	C23	H25	109.4°	109.6°
C23	O24	H30	109.5°	114.0°
O26	C25	H26	109.7°	109.6°
C25	O26	H31	109.5°	114.0°
H1	C01	H2	109.5°	109.4°
H1	C01	C1	93.5°	109.5°
H2	C01	C1	93.5°	109.4°
H5	C03	H6	109.5°	109.5°
H5	C03	H7	109.5°	109.5°
H6	C03	H7	109.5°	109.4°
H10	C05	H11	109.5°	109.5°
H12	C06	H13	109.5°	109.5°
H14	C08	H15	109.5°	109.5°
H14	C08	H16	109.5°	109.5°
H15	C08	H16	109.5°	109.5°
H18	C10	H19	109.5°	109.5°
H22	C19	H23	109.5°	109.5°
C01	C1	C2	90.0°	109.5°
C01	C1	H3	90.0°	109.5°
C01	C1	H4	90.0°	109.4°
C1	C2	C3	90.0°	120.0°
C2	C1	H3	90.0°	109.5°
C2	C1	H4	90.0°	109.4°
C1	C2	H9	90.0°	120.0°
C2	C3	C4	90.0°	120.0°
C2	C3	C44	90.0°	120.0°
C3	C2	H9	90.0°	120.0°
C3	C4	C5	90.0°	109.4°
C4	C3	C44	90.0°	120.0°
C3	C4	H32	90.0°	109.5°
C3	C4	H33	90.0°	109.5°
C4	C5	C6	90.0°	109.4°
C5	C4	H32	90.0°	109.5°
C5	C4	H33	90.0°	109.5°
C4	C5	H34	90.0°	109.5°
C4	C5	H35	90.0°	109.5°
C5	C6	C7	90.0°	120.0°
C6	C5	H34	90.0°	109.4°
C6	C5	H35	90.0°	109.5°
C5	C6	H36	90.0°	120.0°
C6	C7	C8	90.0°	120.0°
C6	C7	C45	90.0°	120.0°
C7	C6	H36	90.0°	120.0°
C7	C8	C9	90.0°	109.5°
C8	C7	C45	90.0°	120.0°
C7	C8	H37	90.0°	109.5°
C7	C8	H38	90.0°	109.5°
C8	C9	C11	90.0°	109.5°
C9	C8	H37	90.0°	109.5°
C9	C8	H38	90.0°	109.5°
C8	C9	H39	90.0°	109.5°
C8	C9	H40	90.0°	109.5°
C9	C11	C12	90.0°	120.0°
C11	C9	H39	90.0°	109.5°
C11	C9	H40	90.0°	109.4°
C9	C11	H41	90.0°	120.0°
C11	C12	C13	90.0°	120.0°
C11	C12	C46	90.0°	120.0°
C12	C11	H41	90.0°	120.0°
C12	C13	C14	90.0°	109.4°
C13	C12	C46	90.0°	120.0°
C12	C13	H42	90.0°	109.5°
C12	C13	H43	90.0°	109.5°
C13	C14	C15	90.0°	109.4°
C14	C13	H42	90.0°	109.6°
C14	C13	H43	90.0°	109.4°
C13	C14	H44	90.0°	109.6°
C13	C14	H45	90.0°	109.4°
C14	C15	C17	90.0°	120.0°
C15	C14	H44	90.0°	109.5°
C15	C14	H45	90.0°	109.4°
C14	C15	H46	90.0°	120.0°
C15	C17	C20	90.0°	120.0°
C15	C17	C47	90.0°	120.0°
C17	C15	H46	90.0°	120.0°
C17	C20	C22	90.0°	109.5°
C20	C17	C47	90.0°	120.0°
C17	C20	H47	90.0°	109.5°
C17	C20	H48	90.0°	109.5°
C20	C22	C24	90.0°	109.5°
C22	C20	H47	90.0°	109.5°
C22	C20	H48	90.0°	109.5°
C20	C22	H49	90.0°	109.5°
C20	C22	H50	90.0°	109.5°
C22	C24	C26	90.0°	120.0°
C24	C22	H49	90.0°	109.5°
C24	C22	H50	90.0°	109.5°
C22	C24	H51	90.0°	120.0°
C24	C26	C27	90.0°	120.0°
C24	C26	C48	90.0°	120.0°
C26	C24	H51	90.0°	120.0°
C26	C27	C28	90.0°	109.4°
C27	C26	C48	90.0°	120.0°
C26	C27	H52	90.0°	109.5°
C26	C27	H53	90.0°	109.5°
C27	C28	C29	90.0°	109.5°
C28	C27	H52	90.0°	109.5°
C28	C27	H53	90.0°	109.5°
C27	C28	H54	90.0°	109.5°
C27	C28	H55	90.0°	109.5°
C28	C29	C30	90.0°	120.0°
C29	C28	H54	90.0°	109.5°
C29	C28	H55	90.0°	109.4°
C28	C29	H56	90.0°	120.0°
C29	C30	C31	90.0°	120.0°
C29	C30	C49	90.0°	120.0°
C30	C29	H56	90.0°	120.0°
C30	C31	C32	90.0°	109.5°
C31	C30	C49	90.0°	120.0°
C30	C31	H57	90.0°	109.5°
C30	C31	H58	90.0°	109.5°
C31	C32	C33	90.0°	109.5°
C32	C31	H57	90.0°	109.5°
C32	C31	H58	90.0°	109.5°
C31	C32	H59	90.0°	109.5°
C31	C32	H60	90.0°	109.5°
C32	C33	C34	90.0°	120.0°
C33	C32	H59	90.0°	109.5°
C33	C32	H60	90.0°	109.5°
C32	C33	H61	90.0°	120.0°
C33	C34	C35	90.0°	120.0°
C33	C34	C50	90.0°	120.0°
C34	C33	H61	90.0°	120.0°
C34	C35	C36	90.0°	109.5°
C35	C34	C50	90.0°	120.0°
C34	C35	H62	90.0°	109.4°
C34	C35	H63	90.0°	109.4°
C35	C36	C37	90.0°	109.4°
C36	C35	H62	90.0°	109.5°
C36	C35	H63	90.0°	109.5°
C35	C36	H64	90.0°	109.5°
C35	C36	H65	90.0°	109.5°
C36	C37	C38	90.0°	120.0°
C37	C36	H64	90.0°	109.5°
C37	C36	H65	90.0°	109.5°
C36	C37	H66	90.0°	120.0°
C37	C38	C39	90.0°	120.0°
C37	C38	C51	90.0°	120.0°
C38	C37	H66	90.0°	120.0°
C38	C39	C40	90.0°	109.5°
C39	C38	C51	90.0°	120.0°
C38	C39	H67	90.0°	109.5°
C38	C39	H68	90.0°	109.4°
C39	C40	C41	90.0°	109.5°
C40	C39	H67	90.0°	109.5°
C40	C39	H68	90.0°	109.5°
C39	C40	H69	90.0°	109.5°
C39	C40	H70	90.0°	109.5°
C40	C41	C42	90.0°	120.0°
C41	C40	H69	90.0°	109.4°
C41	C40	H70	90.0°	109.5°
C40	C41	H71	90.0°	120.0°
C41	C42	C43	90.0°	120.0°
C41	C42	C52	90.0°	120.0°
C42	C41	H71	90.0°	120.0°
C43	C42	C52	90.0°	120.0°
C42	C43	H72	90.0°	109.5°
C42	C43	H73	90.0°	109.5°
C42	C43	H74	90.0°	109.5°
C3	C44	H75	90.0°	109.5°
C3	C44	H76	90.0°	109.5°
C3	C44	H77	90.0°	109.5°
C7	C45	H78	90.0°	109.4°
C7	C45	H79	90.0°	109.5°
C7	C45	H80	90.0°	109.5°
C12	C46	H81	90.0°	109.5°
C12	C46	H82	90.0°	109.5°
C12	C46	H83	90.0°	109.5°
C17	C47	H84	90.0°	109.5°
C17	C47	H85	90.0°	109.5°
C17	C47	H86	90.0°	109.5°
C26	C48	H87	90.0°	109.5°
C26	C48	H88	90.0°	109.4°
C26	C48	H89	90.0°	109.5°
C30	C49	H90	90.0°	109.4°
C30	C49	H91	90.0°	109.4°
C30	C49	H92	90.0°	109.5°
C34	C50	H93	90.0°	109.4°
C34	C50	H94	90.0°	109.5°
C34	C50	H95	90.0°	109.5°
C38	C51	H96	90.0°	109.4°
C38	C51	H97	90.0°	109.5°
C38	C51	H98	90.0°	109.5°
C42	C52	H99	90.0°	109.4°
C42	C52	H100	90.0°	109.5°
C42	C52	H101	90.0°	109.5°
H3	C1	H4	90.0°	109.5°
H32	C4	H33	90.0°	109.4°
H34	C5	H35	90.0°	109.5°
H37	C8	H38	90.0°	109.4°
H39	C9	H40	90.0°	109.5°
H42	C13	H43	90.0°	109.5°
H44	C14	H45	90.0°	109.5°
H47	C20	H48	90.0°	109.5°
H49	C22	H50	90.0°	109.4°
H52	C27	H53	90.0°	109.5°
H54	C28	H55	90.0°	109.4°
H57	C31	H58	90.0°	109.4°
H59	C32	H60	90.0°	109.4°
H62	C35	H63	90.0°	109.5°
H64	C36	H65	90.0°	109.5°
H67	C39	H68	90.0°	109.5°
H69	C40	H70	90.0°	109.5°
H72	C43	H73	90.0°	109.4°
H72	C43	H74	90.0°	109.4°
H73	C43	H74	90.0°	109.5°
H75	C44	H76	90.0°	109.4°
H75	C44	H77	90.0°	109.4°
H76	C44	H77	90.0°	109.5°
H78	C45	H79	90.0°	109.4°
H78	C45	H80	90.0°	109.5°
H79	C45	H80	90.0°	109.5°
H81	C46	H82	90.0°	109.4°
H81	C46	H83	90.0°	109.4°
H82	C46	H83	90.0°	109.5°
H84	C47	H85	90.0°	109.5°
H84	C47	H86	90.0°	109.4°
H85	C47	H86	90.0°	109.5°
H87	C48	H88	90.0°	109.4°
H87	C48	H89	90.0°	109.5°
H88	C48	H89	90.0°	109.4°
H90	C49	H91	90.0°	109.5°
H90	C49	H92	90.0°	109.4°
H91	C49	H92	90.0°	109.5°
H93	C50	H94	90.0°	109.4°
H93	C50	H95	90.0°	109.4°
H94	C50	H95	90.0°	109.5°
H96	C51	H97	90.0°	109.5°
H96	C51	H98	90.0°	109.5°
H97	C51	H98	90.0°	109.4°
H99	C52	H100	90.0°	109.5°
H99	C52	H101	90.0°	109.4°
H100	C52	H101	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	C03	C04	179.6°	180.0°
C01	C02	C04	C05	180.0°	174.5°
C02	C01	H1	H2	94.9°	120.0°
C02	C01	H1	C1	170.1°	120.1°
C02	C01	H2	C1	170.1°	120.0°
C01	C02	C03	H5	180.0°	4.5°
C01	C02	C03	H6	60.0°	124.6°
C01	C02	C03	H7	60.0°	115.5°
C01	C02	C04	H8	0.0°	5.6°
C02	C01	C1	C2	90.0°	180.0°
C02	C01	C1	H3	90.0°	60.0°
C02	C01	C1	H4	90.0°	60.0°
C03	C02	C04	C05	0.5°	5.6°
C03	C02	C01	H1	78.7°	35.1°
C03	C02	C01	H2	31.1°	155.0°
C02	C03	H5	H6	120.0°	120.1°
C02	C03	H5	H7	120.0°	120.0°
C02	C03	H6	H7	120.0°	119.9°
C03	C02	C04	H8	179.4°	174.4°
C03	C02	C01	C1	156.2°	85.0°
C02	C04	C05	H8	180.0°	180.0°
C02	C04	C05	C06	164.3°	119.9°
C04	C02	C01	H1	100.9°	145.0°
C04	C02	C01	H2	149.3°	25.0°
C04	C02	C03	H5	0.4°	175.4°
C04	C02	C03	H6	120.4°	55.4°
C04	C02	C03	H7	119.6°	64.6°
C02	C04	C05	H10	43.8°	120.1°
C02	C04	C05	H11	75.3°	0.1°
C04	C02	C01	C1	24.2°	94.9°
C04	C05	C06	H10	120.4°	119.9°
C04	C05	C06	H11	120.4°	120.0°
C04	C05	C06	C07	105.6°	180.0°
C04	C05	H10	H11	118.6°	120.0°
C04	C05	C06	H12	134.0°	60.0°
C04	C05	C06	H13	14.9°	60.0°
C05	C06	C07	H12	120.4°	120.0°
C05	C06	C07	H13	120.5°	120.0°
C05	C06	C07	C08	15.8°	85.4°
C05	C06	C07	C09	164.5°	94.6°
C06	C05	C04	H8	15.8°	60.1°
C06	C05	H10	H11	118.7°	120.1°
C05	C06	H12	H13	118.6°	120.1°
C06	C07	C08	C09	179.7°	180.0°
C06	C07	C09	C10	0.2°	6.5°
C07	C06	C05	H10	14.9°	60.0°
C07	C06	C05	H11	134.0°	60.0°
C07	C06	H12	H13	118.6°	119.9°
C06	C07	C08	H14	180.0°	90.0°
C06	C07	C08	H15	60.0°	150.0°
C06	C07	C08	H16	60.0°	30.0°
C06	C07	C09	H17	179.8°	173.5°
C08	C07	C09	C10	179.9°	173.5°
C08	C07	C06	H12	136.3°	34.6°
C08	C07	C06	H13	104.7°	154.6°
C07	C08	H14	H15	120.0°	120.0°
C07	C08	H14	H16	120.0°	120.0°
C07	C08	H15	H16	120.0°	120.0°
C08	C07	C09	H17	0.2°	6.5°
C07	C09	C10	H17	180.0°	180.0°
C07	C09	C10	O11	137.8°	134.0°
C09	C07	C06	H12	44.1°	145.4°
C09	C07	C06	H13	75.0°	25.4°
C09	C07	C08	H14	0.3°	90.0°
C09	C07	C08	H15	119.7°	30.0°
C09	C07	C08	H16	120.3°	150.0°
C07	C09	C10	H18	18.0°	106.0°
C07	C09	C10	H19	102.5°	14.0°
C09	C10	O11	H18	119.7°	120.1°
C09	C10	O11	H19	119.8°	120.0°
C09	C10	O11	P12	67.9°	180.0°
C09	C10	H18	H19	120.8°	120.0°
C10	O11	P12	O15	91.3°	175.1°
C10	O11	P12	O14	28.7°	55.1°
C10	O11	P12	O13	148.3°	65.0°
O11	C10	C09	H17	42.2°	46.0°
O11	C10	H18	H19	120.8°	119.9°
O11	P12	O15	O14	119.7°	120.0°
O11	P12	O15	O13	120.1°	120.0°
O11	P12	O14	O13	119.8°	120.0°
O11	P12	O15	C16	113.0°	174.9°
P12	O11	C10	H18	172.4°	59.9°
P12	O11	C10	H19	51.9°	60.1°
O11	P12	O13	H27	119.6°	60.0°
O20	C19	C18	H22	120.0°	120.0°
O20	C19	C18	H23	120.0°	119.9°
O20	C19	C18	O17	113.5°	65.0°
O20	C19	C18	C21	8.8°	175.1°
O20	C19	C18	H21	127.3°	55.0°
O20	C19	H22	H23	120.1°	120.0°
C19	C18	O17	C21	121.0°	120.0°
C19	C18	O17	H21	118.5°	120.0°
C19	C18	C21	H21	118.4°	120.1°
C19	C18	O17	C16	174.5°	178.8°
C19	C18	C21	O22	55.7°	57.6°
C19	C18	C21	C23	175.8°	177.6°
C18	C19	H22	H23	120.1°	120.0°
C19	C18	C21	H24	64.0°	62.4°
C18	C19	O20	H28	180.0°	180.0°
O17	C18	C21	H21	121.0°	120.0°
C18	O17	C16	O15	72.5°	58.8°
O17	C18	C21	O22	65.0°	62.3°
O17	C18	C21	C23	55.1°	57.6°
C18	O17	C16	C25	49.5°	61.2°
C18	O17	C16	H20	168.6°	178.9°
O17	C18	C19	H22	6.5°	55.0°
O17	C18	C19	H23	126.6°	175.0°
O17	C18	C21	H24	175.3°	177.6°
C21	C18	O17	C16	53.6°	61.2°
C18	C21	O22	C23	121.9°	119.7°
C18	C21	O22	H24	118.7°	120.1°
C18	C21	C23	H24	119.8°	119.9°
C18	C21	C23	C25	53.2°	57.0°
C18	C21	C23	O24	173.7°	176.9°
C21	C18	C19	H22	128.7°	64.9°
C21	C18	C19	H23	111.2°	55.1°
C18	C21	C23	H25	67.2°	62.9°
C18	C21	O22	H29	180.0°	180.0°
O15	P12	O14	O13	120.6°	120.0°
P12	O15	C16	O17	112.0°	90.1°
P12	O15	C16	C25	123.6°	150.0°
P12	O15	C16	H20	6.4°	29.9°
O15	P12	O13	H27	120.5°	60.0°
O14	P12	O15	C16	127.3°	54.9°
O14	P12	O13	H27	0.0°	180.0°
O13	P12	O15	C16	7.1°	65.1°
O17	C16	O15	C25	124.4°	119.9°
O17	C16	O15	H20	118.4°	120.0°
O17	C16	C25	H20	119.6°	119.9°
O17	C16	C25	C23	47.0°	57.6°
O17	C16	C25	O26	167.5°	177.5°
C16	O17	C18	H21	66.9°	58.8°
O17	C16	C25	H26	73.6°	62.3°
O15	C16	C25	H20	118.1°	120.1°
O15	C16	C25	C23	75.3°	62.3°
O15	C16	C25	O26	45.2°	57.6°
O15	C16	C25	H26	164.1°	177.7°
O22	C21	C23	H24	120.0°	120.2°
O22	C21	C23	C25	67.0°	62.9°
O22	C21	C23	O24	53.5°	56.9°
O22	C21	C18	H21	174.0°	177.7°
O22	C21	C23	H25	172.6°	177.2°
C21	C23	C25	C16	49.2°	57.0°
C21	C23	C25	O24	120.7°	119.8°
C21	C23	C25	H25	120.5°	120.0°
C21	C23	O24	H25	118.5°	120.3°
C21	C23	C25	O26	169.8°	176.9°
C23	C21	C18	H21	65.8°	62.3°
C21	C23	C25	H26	70.9°	62.9°
C23	C21	O22	H29	58.2°	60.3°
C21	C23	O24	H30	180.0°	179.9°
C16	C25	C23	O26	120.6°	119.9°
C16	C25	C23	H26	120.1°	119.9°
C16	C25	C23	O24	169.9°	176.9°
C16	C25	O26	H26	117.9°	120.1°
C16	C25	C23	H25	71.3°	62.9°
C16	C25	O26	H31	180.0°	60.0°
C25	C23	O24	H25	118.2°	120.2°
C23	C25	O26	H26	118.7°	120.2°
C23	C25	C16	H20	166.5°	177.6°
C25	C23	C21	H24	173.0°	176.9°
C25	C23	O24	H30	56.7°	60.4°
C23	C25	O26	H31	56.6°	179.6°
O24	C23	C25	O26	69.5°	63.2°
O24	C23	C21	H24	66.5°	63.2°
O24	C23	C25	H26	49.8°	57.0°
O26	C25	C16	H20	73.0°	62.5°
O26	C25	C23	H25	49.4°	57.0°
H1	C01	H2	C1	94.9°	120.0°
H1	C01	C1	C2	90.0°	59.9°
H1	C01	C1	H3	90.0°	179.9°
H1	C01	C1	H4	90.0°	60.0°
H2	C01	C1	C2	90.0°	60.0°
H2	C01	C1	H3	90.0°	60.0°
H2	C01	C1	H4	90.0°	180.0°
H5	C03	H6	H7	120.0°	120.0°
H8	C04	C05	H10	136.2°	59.9°
H8	C04	C05	H11	104.7°	179.9°
H10	C05	C06	H12	105.6°	180.0°
H10	C05	C06	H13	135.3°	59.9°
H11	C05	C06	H12	13.6°	60.0°
H11	C05	C06	H13	105.5°	180.0°
H14	C08	H15	H16	120.0°	120.0°
H17	C09	C10	H18	161.9°	74.0°
H17	C09	C10	H19	77.5°	166.0°
H20	C16	C25	H26	46.0°	57.6°
H21	C18	C19	H22	112.7°	175.0°
H21	C18	C19	H23	7.3°	65.0°
H21	C18	C21	H24	54.4°	57.6°
H22	C19	O20	H28	60.0°	60.0°
H23	C19	O20	H28	60.1°	60.1°
H24	C21	C23	H25	52.5°	57.0°
H24	C21	O22	H29	61.3°	59.9°
H25	C23	C25	H26	168.6°	177.2°
H25	C23	O24	H30	61.5°	59.8°
H26	C25	O26	H31	62.2°	60.2°
C01	C1	C2	H3	90.0°	120.0°
C01	C1	C2	H4	90.0°	120.0°
C01	C1	C2	C3	90.0°	117.8°
C01	C1	H3	H4	90.0°	120.0°
C01	C1	C2	H9	90.0°	62.1°
C1	C2	C3	H9	90.0°	179.9°
C1	C2	C3	C4	90.0°	176.9°
C1	C2	C3	C44	90.0°	3.1°
C2	C1	H3	H4	90.0°	120.0°
C2	C3	C4	C44	90.0°	179.9°
C2	C3	C4	C5	90.0°	95.1°
C3	C2	C1	H3	90.0°	2.2°
C3	C2	C1	H4	90.0°	122.2°
C2	C3	C4	H32	90.0°	144.9°
C2	C3	C4	H33	90.0°	25.0°
C2	C3	C44	H75	90.0°	83.9°
C2	C3	C44	H76	90.0°	156.1°
C2	C3	C44	H77	90.0°	36.0°
C3	C4	C5	H32	90.0°	120.0°
C3	C4	C5	H33	90.0°	120.0°
C3	C4	C5	C6	90.0°	180.0°
C4	C3	C2	H9	90.0°	3.2°
C3	C4	H32	H33	90.0°	120.0°
C3	C4	C5	H34	90.0°	60.1°
C3	C4	C5	H35	90.0°	60.0°
C4	C3	C44	H75	90.0°	96.0°
C4	C3	C44	H76	90.0°	24.0°
C4	C3	C44	H77	90.0°	144.0°
C4	C5	C6	H34	90.0°	120.0°
C4	C5	C6	H35	90.0°	120.0°
C4	C5	C6	C7	90.0°	117.6°
C5	C4	C3	C44	90.0°	85.0°
C5	C4	H32	H33	90.0°	120.0°
C4	C5	H34	H35	90.0°	120.1°
C4	C5	C6	H36	90.0°	62.4°
C5	C6	C7	H36	90.0°	180.0°
C5	C6	C7	C8	90.0°	176.2°
C5	C6	C7	C45	90.0°	3.9°
C6	C5	C4	H32	90.0°	60.0°
C6	C5	C4	H33	90.0°	60.0°
C6	C5	H34	H35	90.0°	120.0°
C6	C7	C8	C45	90.0°	180.0°
C6	C7	C8	C9	90.0°	95.0°
C7	C6	C5	H34	90.0°	2.3°
C7	C6	C5	H35	90.0°	122.3°
C6	C7	C8	H37	90.0°	145.0°
C6	C7	C8	H38	90.0°	25.0°
C6	C7	C45	H78	90.0°	89.3°
C6	C7	C45	H79	90.0°	150.8°
C6	C7	C45	H80	90.0°	30.7°
C7	C8	C9	H37	90.0°	120.0°
C7	C8	C9	H38	90.0°	120.0°
C7	C8	C9	C11	90.0°	180.0°
C8	C7	C6	H36	90.0°	3.8°
C7	C8	H37	H38	90.0°	120.0°
C7	C8	C9	H39	90.0°	60.0°
C7	C8	C9	H40	90.0°	60.0°
C8	C7	C45	H78	90.0°	90.8°
C8	C7	C45	H79	90.0°	29.2°
C8	C7	C45	H80	90.0°	149.2°
C8	C9	C11	H39	90.0°	120.0°
C8	C9	C11	H40	90.0°	120.0°
C8	C9	C11	C12	90.0°	118.5°
C9	C8	C7	C45	90.0°	85.0°
C9	C8	H37	H38	90.0°	120.0°
C8	C9	H39	H40	90.0°	120.0°
C8	C9	C11	H41	90.0°	61.5°
C9	C11	C12	H41	90.0°	179.9°
C9	C11	C12	C13	90.0°	173.6°
C9	C11	C12	C46	90.0°	6.3°
C11	C9	C8	H37	90.0°	60.0°
C11	C9	C8	H38	90.0°	60.0°
C11	C9	H39	H40	90.0°	119.9°
C11	C12	C13	C46	90.0°	179.9°
C11	C12	C13	C14	90.0°	95.0°
C12	C11	C9	H39	90.0°	1.6°
C12	C11	C9	H40	90.0°	121.5°
C11	C12	C13	H42	90.0°	144.9°
C11	C12	C13	H43	90.0°	24.9°
C11	C12	C46	H81	90.0°	85.5°
C11	C12	C46	H82	90.0°	154.4°
C11	C12	C46	H83	90.0°	34.4°
C12	C13	C14	H42	90.0°	120.0°
C12	C13	C14	H43	90.0°	119.9°
C12	C13	C14	C15	90.0°	180.0°
C13	C12	C11	H41	90.0°	6.5°
C12	C13	H42	H43	90.0°	120.0°
C12	C13	C14	H44	90.0°	60.0°
C12	C13	C14	H45	90.0°	60.1°
C13	C12	C46	H81	90.0°	94.4°
C13	C12	C46	H82	90.0°	25.6°
C13	C12	C46	H83	90.0°	145.6°
C13	C14	C15	H44	90.0°	120.1°
C13	C14	C15	H45	90.0°	119.9°
C13	C14	C15	C17	90.0°	119.7°
C14	C13	C12	C46	90.0°	85.1°
C14	C13	H42	H43	90.0°	120.0°
C13	C14	H44	H45	90.0°	120.0°
C13	C14	C15	H46	90.0°	60.3°
C14	C15	C17	H46	90.0°	180.0°
C14	C15	C17	C20	90.0°	173.0°
C14	C15	C17	C47	90.0°	7.0°
C15	C14	C13	H42	90.0°	60.0°
C15	C14	C13	H43	90.0°	60.1°
C15	C14	H44	H45	90.0°	120.0°
C15	C17	C20	C47	90.0°	180.0°
C15	C17	C20	C22	90.0°	95.0°
C17	C15	C14	H44	90.0°	0.3°
C17	C15	C14	H45	90.0°	120.3°
C15	C17	C20	H47	90.0°	145.0°
C15	C17	C20	H48	90.0°	25.0°
C15	C17	C47	H84	90.0°	84.5°
C15	C17	C47	H85	90.0°	155.5°
C15	C17	C47	H86	90.0°	35.5°
C17	C20	C22	H47	90.0°	120.0°
C17	C20	C22	H48	90.0°	120.0°
C17	C20	C22	C24	90.0°	180.0°
C20	C17	C15	H46	90.0°	6.9°
C17	C20	H47	H48	90.0°	120.0°
C17	C20	C22	H49	90.0°	60.0°
C17	C20	C22	H50	90.0°	60.0°
C20	C17	C47	H84	90.0°	95.6°
C20	C17	C47	H85	90.0°	24.5°
C20	C17	C47	H86	90.0°	144.5°
C20	C22	C24	H49	90.0°	120.0°
C20	C22	C24	H50	90.0°	120.0°
C20	C22	C24	C26	90.0°	119.6°
C22	C20	C17	C47	90.0°	85.0°
C22	C20	H47	H48	90.0°	120.0°
C20	C22	H49	H50	90.0°	120.0°
C20	C22	C24	H51	90.0°	60.4°
C22	C24	C26	H51	90.0°	180.0°
C22	C24	C26	C27	90.0°	175.2°
C22	C24	C26	C48	90.0°	4.7°
C24	C22	C20	H47	90.0°	60.0°
C24	C22	C20	H48	90.0°	60.0°
C24	C22	H49	H50	90.0°	120.0°
C24	C26	C27	C48	90.0°	179.9°
C24	C26	C27	C28	90.0°	95.0°
C26	C24	C22	H49	90.0°	0.4°
C26	C24	C22	H50	90.0°	120.4°
C24	C26	C27	H52	90.0°	145.0°
C24	C26	C27	H53	90.0°	24.9°
C24	C26	C48	H87	90.0°	88.8°
C24	C26	C48	H88	90.0°	151.2°
C24	C26	C48	H89	90.0°	31.2°
C26	C27	C28	H52	90.0°	119.9°
C26	C27	C28	H53	90.0°	120.0°
C26	C27	C28	C29	90.0°	180.0°
C27	C26	C24	H51	90.0°	4.8°
C26	C27	H52	H53	90.0°	120.1°
C26	C27	C28	H54	90.0°	60.0°
C26	C27	C28	H55	90.0°	60.0°
C27	C26	C48	H87	90.0°	91.1°
C27	C26	C48	H88	90.0°	28.9°
C27	C26	C48	H89	90.0°	148.8°
C27	C28	C29	H54	90.0°	120.1°
C27	C28	C29	H55	90.0°	120.0°
C27	C28	C29	C30	90.0°	119.6°
C28	C27	C26	C48	90.0°	85.0°
C28	C27	H52	H53	90.0°	120.0°
C27	C28	H54	H55	90.0°	120.0°
C27	C28	C29	H56	90.0°	60.4°
C28	C29	C30	H56	90.0°	180.0°
C28	C29	C30	C31	90.0°	175.3°
C28	C29	C30	C49	90.0°	4.7°
C29	C28	C27	H52	90.0°	60.0°
C29	C28	C27	H53	90.0°	60.0°
C29	C28	H54	H55	90.0°	119.9°
C29	C30	C31	C49	90.0°	180.0°
C29	C30	C31	C32	90.0°	95.0°
C30	C29	C28	H54	90.0°	0.4°
C30	C29	C28	H55	90.0°	120.3°
C29	C30	C31	H57	90.0°	145.0°
C29	C30	C31	H58	90.0°	25.0°
C29	C30	C49	H90	90.0°	88.8°
C29	C30	C49	H91	90.0°	151.2°
C29	C30	C49	H92	90.0°	31.1°
C30	C31	C32	H57	90.0°	120.0°
C30	C31	C32	H58	90.0°	120.0°
C30	C31	C32	C33	90.0°	180.0°
C31	C30	C29	H56	90.0°	4.7°
C30	C31	H57	H58	90.0°	120.0°
C30	C31	C32	H59	90.0°	60.0°
C30	C31	C32	H60	90.0°	60.0°
C31	C30	C49	H90	90.0°	91.2°
C31	C30	C49	H91	90.0°	28.8°
C31	C30	C49	H92	90.0°	148.8°
C31	C32	C33	H59	90.0°	120.0°
C31	C32	C33	H60	90.0°	120.0°
C31	C32	C33	C34	90.0°	119.7°
C32	C31	C30	C49	90.0°	85.0°
C32	C31	H57	H58	90.0°	120.0°
C31	C32	H59	H60	90.0°	120.0°
C31	C32	C33	H61	90.0°	60.4°
C32	C33	C34	H61	90.0°	179.9°
C32	C33	C34	C35	90.0°	175.3°
C32	C33	C34	C50	90.0°	4.8°
C33	C32	C31	H57	90.0°	60.0°
C33	C32	C31	H58	90.0°	60.0°
C33	C32	H59	H60	90.0°	120.0°
C33	C34	C35	C50	90.0°	179.9°
C33	C34	C35	C36	90.0°	94.9°
C34	C33	C32	H59	90.0°	0.3°
C34	C33	C32	H60	90.0°	120.3°
C33	C34	C35	H62	90.0°	145.0°
C33	C34	C35	H63	90.0°	25.1°
C33	C34	C50	H93	90.0°	88.9°
C33	C34	C50	H94	90.0°	151.1°
C33	C34	C50	H95	90.0°	31.1°
C34	C35	C36	H62	90.0°	120.0°
C34	C35	C36	H63	90.0°	120.0°
C34	C35	C36	C37	90.0°	180.0°
C35	C34	C33	H61	90.0°	4.6°
C34	C35	H62	H63	90.0°	119.9°
C34	C35	C36	H64	90.0°	60.0°
C34	C35	C36	H65	90.0°	60.0°
C35	C34	C50	H93	90.0°	91.2°
C35	C34	C50	H94	90.0°	28.7°
C35	C34	C50	H95	90.0°	148.8°
C35	C36	C37	H64	90.0°	120.0°
C35	C36	C37	H65	90.0°	120.0°
C35	C36	C37	C38	90.0°	119.7°
C36	C35	C34	C50	90.0°	84.9°
C36	C35	H62	H63	90.0°	120.1°
C35	C36	H64	H65	90.0°	120.0°
C35	C36	C37	H66	90.0°	60.3°
C36	C37	C38	H66	90.0°	180.0°
C36	C37	C38	C39	90.0°	173.0°
C36	C37	C38	C51	90.0°	7.1°
C37	C36	C35	H62	90.0°	60.0°
C37	C36	C35	H63	90.0°	60.0°
C37	C36	H64	H65	90.0°	120.0°
C37	C38	C39	C51	90.0°	179.9°
C37	C38	C39	C40	90.0°	94.9°
C38	C37	C36	H64	90.0°	0.3°
C38	C37	C36	H65	90.0°	120.3°
C37	C38	C39	H67	90.0°	145.0°
C37	C38	C39	H68	90.0°	25.1°
C37	C38	C51	H96	90.0°	84.5°
C37	C38	C51	H97	90.0°	155.5°
C37	C38	C51	H98	90.0°	35.5°
C38	C39	C40	H67	90.0°	120.0°
C38	C39	C40	H68	90.0°	120.0°
C38	C39	C40	C41	90.0°	180.0°
C39	C38	C37	H66	90.0°	6.9°
C38	C39	H67	H68	90.0°	120.0°
C38	C39	C40	H69	90.0°	60.0°
C38	C39	C40	H70	90.0°	60.0°
C39	C38	C51	H96	90.0°	95.6°
C39	C38	C51	H97	90.0°	24.4°
C39	C38	C51	H98	90.0°	144.4°
C39	C40	C41	H69	90.0°	120.0°
C39	C40	C41	H70	90.0°	120.0°
C39	C40	C41	C42	90.0°	117.7°
C40	C39	C38	C51	90.0°	85.0°
C40	C39	H67	H68	90.0°	120.0°
C39	C40	H69	H70	90.0°	120.0°
C39	C40	C41	H71	90.0°	62.3°
C40	C41	C42	H71	90.0°	180.0°
C40	C41	C42	C43	90.0°	6.1°
C40	C41	C42	C52	90.0°	173.8°
C41	C40	C39	H67	90.0°	60.0°
C41	C40	C39	H68	90.0°	60.0°
C41	C40	H69	H70	90.0°	120.0°
C41	C42	C43	C52	90.0°	180.0°
C42	C41	C40	H69	90.0°	2.3°
C42	C41	C40	H70	90.0°	122.3°
C41	C42	C43	H72	90.0°	84.0°
C41	C42	C43	H73	90.0°	156.0°
C41	C42	C43	H74	90.0°	36.0°
C41	C42	C52	H99	90.0°	60.0°
C41	C42	C52	H100	90.0°	180.0°
C41	C42	C52	H101	90.0°	60.0°
C43	C42	C41	H71	90.0°	173.9°
C42	C43	H72	H73	90.0°	120.0°
C42	C43	H72	H74	90.0°	120.0°
C42	C43	H73	H74	90.0°	120.1°
C43	C42	C52	H99	90.0°	120.0°
C43	C42	C52	H100	90.0°	0.0°
C43	C42	C52	H101	90.0°	120.0°
C44	C3	C2	H9	90.0°	176.8°
C44	C3	C4	H32	90.0°	35.0°
C44	C3	C4	H33	90.0°	155.0°
C3	C44	H75	H76	90.0°	120.1°
C3	C44	H75	H77	90.0°	120.0°
C3	C44	H76	H77	90.0°	120.1°
C45	C7	C6	H36	90.0°	176.2°
C45	C7	C8	H37	90.0°	35.0°
C45	C7	C8	H38	90.0°	155.0°
C7	C45	H78	H79	90.0°	120.0°
C7	C45	H78	H80	90.0°	120.0°
C7	C45	H79	H80	90.0°	120.0°
C46	C12	C11	H41	90.0°	173.6°
C46	C12	C13	H42	90.0°	35.0°
C46	C12	C13	H43	90.0°	155.0°
C12	C46	H81	H82	90.0°	120.1°
C12	C46	H81	H83	90.0°	120.0°
C12	C46	H82	H83	90.0°	120.0°
C47	C17	C15	H46	90.0°	173.1°
C47	C17	C20	H47	90.0°	35.0°
C47	C17	C20	H48	90.0°	155.0°
C17	C47	H84	H85	90.0°	120.0°
C17	C47	H84	H86	90.0°	120.0°
C17	C47	H85	H86	90.0°	120.0°
C48	C26	C24	H51	90.0°	175.3°
C48	C26	C27	H52	90.0°	34.9°
C48	C26	C27	H53	90.0°	155.0°
C26	C48	H87	H88	90.0°	120.0°
C26	C48	H87	H89	90.0°	120.1°
C26	C48	H88	H89	90.0°	120.0°
C49	C30	C29	H56	90.0°	175.3°
C49	C30	C31	H57	90.0°	35.0°
C49	C30	C31	H58	90.0°	155.0°
C30	C49	H90	H91	90.0°	119.9°
C30	C49	H90	H92	90.0°	120.0°
C30	C49	H91	H92	90.0°	120.0°
C50	C34	C33	H61	90.0°	175.3°
C50	C34	C35	H62	90.0°	35.1°
C50	C34	C35	H63	90.0°	155.1°
C34	C50	H93	H94	90.0°	120.0°
C34	C50	H93	H95	90.0°	120.1°
C34	C50	H94	H95	90.0°	120.1°
C51	C38	C37	H66	90.0°	173.0°
C51	C38	C39	H67	90.0°	35.1°
C51	C38	C39	H68	90.0°	155.0°
C38	C51	H96	H97	90.0°	120.0°
C38	C51	H96	H98	90.0°	120.0°
C38	C51	H97	H98	90.0°	120.0°
C52	C42	C41	H71	90.0°	6.2°
C52	C42	C43	H72	90.0°	96.0°
C52	C42	C43	H73	90.0°	24.0°
C52	C42	C43	H74	90.0°	144.1°
C42	C52	H99	H100	90.0°	120.0°
C42	C52	H99	H101	90.0°	120.0°
C42	C52	H100	H101	90.0°	120.0°
H3	C1	C2	H9	90.0°	177.8°
H4	C1	C2	H9	90.0°	57.8°
H32	C4	C5	H34	90.0°	179.9°
H32	C4	C5	H35	90.0°	60.0°
H33	C4	C5	H34	90.0°	60.0°
H33	C4	C5	H35	90.0°	179.9°
H34	C5	C6	H36	90.0°	177.6°
H35	C5	C6	H36	90.0°	57.6°
H37	C8	C9	H39	90.0°	180.0°
H37	C8	C9	H40	90.0°	60.0°
H38	C8	C9	H39	90.0°	60.0°
H38	C8	C9	H40	90.0°	180.0°
H39	C9	C11	H41	90.0°	178.5°
H40	C9	C11	H41	90.0°	58.5°
H42	C13	C14	H44	90.0°	NaN°
H42	C13	C14	H45	90.0°	60.0°
H43	C13	C14	H44	90.0°	60.0°
H43	C13	C14	H45	90.0°	180.0°
H44	C14	C15	H46	90.0°	179.6°
H45	C14	C15	H46	90.0°	59.6°
H47	C20	C22	H49	90.0°	180.0°
H47	C20	C22	H50	90.0°	60.0°
H48	C20	C22	H49	90.0°	60.0°
H48	C20	C22	H50	90.0°	NaN°
H49	C22	C24	H51	90.0°	179.6°
H50	C22	C24	H51	90.0°	59.7°
H52	C27	C28	H54	90.0°	180.0°
H52	C27	C28	H55	90.0°	60.0°
H53	C27	C28	H54	90.0°	60.0°
H53	C27	C28	H55	90.0°	180.0°
H54	C28	C29	H56	90.0°	179.6°
H55	C28	C29	H56	90.0°	59.7°
H57	C31	C32	H59	90.0°	180.0°
H57	C31	C32	H60	90.0°	60.0°
H58	C31	C32	H59	90.0°	60.0°
H58	C31	C32	H60	90.0°	180.0°
H59	C32	C33	H61	90.0°	179.6°
H60	C32	C33	H61	90.0°	59.6°
H62	C35	C36	H64	90.0°	180.0°
H62	C35	C36	H65	90.0°	60.0°
H63	C35	C36	H64	90.0°	59.9°
H63	C35	C36	H65	90.0°	180.0°
H64	C36	C37	H66	90.0°	179.7°
H65	C36	C37	H66	90.0°	59.7°
H67	C39	C40	H69	90.0°	180.0°
H67	C39	C40	H70	90.0°	60.0°
H68	C39	C40	H69	90.0°	60.0°
H68	C39	C40	H70	90.0°	NaN°
H69	C40	C41	H71	90.0°	177.7°
H70	C40	C41	H71	90.0°	57.7°
H72	C43	H73	H74	90.0°	119.9°
H75	C44	H76	H77	90.0°	119.9°
H78	C45	H79	H80	90.0°	120.0°
H81	C46	H82	H83	90.0°	119.9°
H84	C47	H85	H86	90.0°	119.9°
H87	C48	H88	H89	90.0°	120.0°
H90	C49	H91	H92	90.0°	120.0°
H93	C50	H94	H95	90.0°	119.9°
H96	C51	H97	H98	90.0°	120.0°
H99	C52	H100	H101	90.0°	120.0°

Release date:	2025-12-17
Definition date:	2025-04-16
Last modified:	2025-12-16
Release status:	REL
Processing site:	RCSB
Derived from:	9NYD