SWI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C40	doub	0.00Å	1.18Å
C40	O7	sing	0.00Å	1.36Å
C40	C41	sing	0.00Å	1.48Å
O7	C21	sing	0.00Å	1.51Å
C21	C22	sing	0.00Å	1.56Å
C21	C20	sing	0.00Å	1.62Å
C21	H21	sing	0.00Å	1.12Å
C22	C23	sing	0.00Å	1.44Å
C22	C36	sing	0.00Å	1.50Å
C22	H22	sing	0.00Å	1.12Å
C23	C24	sing	0.00Å	1.55Å
C23	O8	sing	0.00Å	1.41Å
C23	H23	sing	0.00Å	1.11Å
C24	C25	sing	0.00Å	1.45Å
C24	C37	sing	0.00Å	1.50Å
C24	H24	sing	0.00Å	1.11Å
C25	C26	sing	0.00Å	1.37Å
C25	H251	sing	0.00Å	1.12Å
C25	H252	sing	0.00Å	1.12Å
C26	C27	sing	0.00Å	1.46Å
C26	H261	sing	0.00Å	1.11Å
C26	H262	sing	0.00Å	1.12Å
C27	O9	sing	0.00Å	1.34Å
C27	C28	sing	0.00Å	1.55Å
C27	H27	sing	0.00Å	1.11Å
O9	C31	sing	0.00Å	1.40Å
C31	C32	sing	0.00Å	1.54Å
C31	C30	sing	0.00Å	1.52Å
C31	H31	sing	0.00Å	1.12Å
C32	H321	sing	0.00Å	1.11Å
C32	H322	sing	0.00Å	1.12Å
C32	H323	sing	0.00Å	1.11Å
C30	C29	sing	0.00Å	1.52Å
C30	H301	sing	0.00Å	1.11Å
C30	H302	sing	0.00Å	1.11Å
C29	O10	sing	0.00Å	1.48Å
C29	C28	sing	0.00Å	1.60Å
C29	H29	sing	0.00Å	1.12Å
O10	C39	sing	0.00Å	1.46Å
C39	H391	sing	0.00Å	1.11Å
C39	H392	sing	0.00Å	1.12Å
C39	H393	sing	0.00Å	1.12Å
C28	H281	sing	0.00Å	1.11Å
C28	H282	sing	0.00Å	1.12Å
C37	H371	sing	0.00Å	1.11Å
C37	H372	sing	0.00Å	1.12Å
C37	H373	sing	0.00Å	1.12Å
O8	HO8	sing	0.00Å	0.95Å
C36	H361	sing	0.00Å	1.11Å
C36	H362	sing	0.00Å	1.12Å
C36	H363	sing	0.00Å	1.11Å
C20	C35	sing	0.00Å	1.53Å
C20	C19	sing	0.00Å	1.58Å
C20	H20	sing	0.00Å	1.11Å
C35	H351	sing	0.00Å	1.11Å
C35	H352	sing	0.00Å	1.11Å
C35	H353	sing	0.00Å	1.12Å
C19	O6	sing	0.00Å	1.46Å
C19	C18	sing	0.00Å	1.48Å
C19	H19	sing	0.00Å	1.12Å
O6	HO6	sing	0.00Å	0.95Å
C18	C17	sing	0.00Å	1.55Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.12Å
C17	O5	sing	0.00Å	1.38Å
C17	C16	sing	0.00Å	1.53Å
C17	H17	sing	0.00Å	1.11Å
O5	HO5	sing	0.00Å	0.95Å
C16	C34	sing	0.00Å	1.58Å
C16	C15	sing	0.00Å	1.50Å
C16	H16	sing	0.00Å	1.12Å
C34	H341	sing	0.00Å	1.12Å
C34	H342	sing	0.00Å	1.11Å
C34	H343	sing	0.00Å	1.12Å
C15	O4	sing	0.00Å	1.44Å
C15	C14	sing	0.00Å	1.51Å
C15	H15	sing	0.00Å	1.12Å
O4	C38	sing	0.00Å	1.46Å
C38	H381	sing	0.00Å	1.11Å
C38	H382	sing	0.00Å	1.12Å
C38	H383	sing	0.00Å	1.11Å
C14	C13	sing	0.00Å	1.49Å
C14	H141	sing	0.00Å	1.11Å
C14	H142	sing	0.00Å	1.12Å
C13	C12	sing	0.00Å	1.52Å
C13	O3	sing	0.00Å	1.44Å
C13	H13	sing	0.00Å	1.12Å
C12	C11	sing	0.00Å	1.48Å
C12	H121	sing	0.00Å	1.11Å
C12	H122	sing	0.00Å	1.11Å
C11	C10	doub	0.00Å	1.26Å
C11	H11	sing	0.00Å	1.10Å
C10	C9	sing	0.00Å	1.54Å
C10	H10	sing	0.00Å	1.10Å
O3	C9	sing	0.00Å	1.49Å
C9	C8	sing	0.00Å	1.52Å
C9	H9	sing	0.00Å	1.11Å
C8	C7	sing	0.00Å	1.46Å
C8	H81	sing	0.00Å	1.12Å
C8	H82	sing	0.00Å	1.12Å
C7	O2	sing	0.00Å	1.52Å
C7	C6	sing	0.00Å	1.46Å
C7	H7	sing	0.00Å	1.11Å
O2	HO2	sing	0.00Å	0.95Å
C6	C5	sing	0.00Å	1.52Å
C6	H61A	sing	0.00Å	1.11Å
C6	H62A	sing	0.00Å	1.12Å
C5	C4	doub	0.00Å	1.38Å
C5	H5	sing	0.00Å	1.10Å
C4	C33	sing	0.00Å	1.53Å
C4	C3	sing	0.00Å	1.44Å
C33	H331	sing	0.00Å	1.12Å
C33	H332	sing	0.00Å	1.11Å
C33	H333	sing	0.00Å	1.11Å
C3	C2	doub	0.00Å	1.26Å
C3	H3	sing	0.00Å	1.10Å
C2	C1	sing	0.00Å	1.53Å
C2	H2	sing	0.00Å	1.10Å
C1	O1	doub	0.00Å	1.16Å
C1	O17	sing	0.00Å	1.40Å
C41	C42	doub	0.00Å	1.42Å
C41	H41	sing	0.00Å	1.10Å
C42	C43	sing	0.00Å	1.50Å
C42	H42	sing	0.00Å	1.10Å
C43	C72	sing	0.00Å	1.55Å
C43	C44	doub	0.00Å	1.29Å
C72	H721	sing	0.00Å	1.12Å
C72	H722	sing	0.00Å	1.11Å
C72	H723	sing	0.00Å	1.11Å
C44	C45	sing	0.00Å	1.41Å
C44	H44	sing	0.00Å	1.10Å
C45	C46	sing	0.00Å	1.53Å
C45	H451	sing	0.00Å	1.12Å
C45	H452	sing	0.00Å	1.12Å
C46	O12	sing	0.00Å	1.46Å
C46	C47	sing	0.00Å	1.49Å
C46	H46	sing	0.00Å	1.11Å
O12	HO12	sing	0.00Å	0.95Å
C47	C48	sing	0.00Å	1.52Å
C47	H471	sing	0.00Å	1.12Å
C47	H472	sing	0.00Å	1.11Å
C48	O13	sing	0.00Å	1.51Å
C48	C49	sing	0.00Å	1.52Å
C48	H48	sing	0.00Å	1.12Å
O13	C52	sing	0.00Å	1.48Å
C52	C51	sing	0.00Å	1.50Å
C52	C53	sing	0.00Å	1.51Å
C52	H52	sing	0.00Å	1.11Å
C51	C50	sing	0.00Å	1.44Å
C51	H511	sing	0.00Å	1.12Å
C51	H512	sing	0.00Å	1.11Å
C50	C49	doub	0.00Å	1.31Å
C50	H50	sing	0.00Å	1.10Å
C49	H49	sing	0.00Å	1.10Å
C53	C54	sing	0.00Å	1.54Å
C53	H531	sing	0.00Å	1.11Å
C53	H532	sing	0.00Å	1.12Å
C54	O14	sing	0.00Å	1.41Å
C54	C55	sing	0.00Å	1.56Å
C54	H54	sing	0.00Å	1.11Å
O14	C77	sing	0.00Å	1.51Å
C77	H771	sing	0.00Å	1.12Å
C77	H772	sing	0.00Å	1.12Å
C77	H773	sing	0.00Å	1.12Å
C55	C73	sing	0.00Å	1.51Å
C55	C56	sing	0.00Å	1.59Å
C55	H55	sing	0.00Å	1.11Å
C73	H731	sing	0.00Å	1.11Å
C73	H732	sing	0.00Å	1.11Å
C73	H733	sing	0.00Å	1.12Å
C56	O15	sing	0.00Å	1.47Å
C56	C57	sing	0.00Å	1.41Å
C56	H56	sing	0.00Å	1.12Å
O15	HO15	sing	0.00Å	0.95Å
C57	C58	sing	0.00Å	1.47Å
C57	H571	sing	0.00Å	1.11Å
C57	H572	sing	0.00Å	1.11Å
C58	O16	sing	0.00Å	1.47Å
C58	C59	sing	0.00Å	1.47Å
C58	H58	sing	0.00Å	1.12Å
O16	HO16	sing	0.00Å	0.95Å
C59	C74	sing	0.00Å	1.55Å
C59	C60	sing	0.00Å	1.58Å
C59	H59	sing	0.00Å	1.12Å
C74	H741	sing	0.00Å	1.12Å
C74	H742	sing	0.00Å	1.11Å
C74	H743	sing	0.00Å	1.12Å
C60	O17	sing	0.00Å	1.47Å
C60	C61	sing	0.00Å	1.51Å
C60	H60	sing	0.00Å	1.11Å
C61	C75	sing	0.00Å	1.55Å
C61	C62	sing	0.00Å	1.57Å
C61	H61	sing	0.00Å	1.12Å
C75	H751	sing	0.00Å	1.12Å
C75	H752	sing	0.00Å	1.12Å
C75	H753	sing	0.00Å	1.12Å
C62	O18	sing	0.00Å	1.38Å
C62	C63	sing	0.00Å	1.43Å
C62	H62	sing	0.00Å	1.12Å
O18	HO18	sing	0.00Å	0.95Å
C63	C76	sing	0.00Å	1.56Å
C63	C64	sing	0.00Å	1.54Å
C63	H63	sing	0.00Å	1.11Å
C76	H761	sing	0.00Å	1.12Å
C76	H762	sing	0.00Å	1.12Å
C76	H763	sing	0.00Å	1.11Å
C64	C65	sing	0.00Å	1.51Å
C64	H641	sing	0.00Å	1.11Å
C64	H642	sing	0.00Å	1.12Å
C65	C66	sing	0.00Å	1.56Å
C65	H651	sing	0.00Å	1.12Å
C65	H652	sing	0.00Å	1.11Å
C66	O19	sing	0.00Å	1.43Å
C66	C67	sing	0.00Å	1.52Å
C66	H66	sing	0.00Å	1.11Å
O19	C70	sing	0.00Å	1.41Å
C70	C71	sing	0.00Å	1.57Å
C70	C69	sing	0.00Å	1.57Å
C70	H70	sing	0.00Å	1.11Å
C71	H711	sing	0.00Å	1.12Å
C71	H712	sing	0.00Å	1.11Å
C71	H713	sing	0.00Å	1.11Å
C69	C68	sing	0.00Å	1.43Å
C69	H691	sing	0.00Å	1.11Å
C69	H692	sing	0.00Å	1.11Å
C68	C67	sing	0.00Å	1.48Å
C68	O20	sing	0.00Å	1.51Å
C68	H68	sing	0.00Å	1.11Å
C67	H671	sing	0.00Å	1.12Å
C67	H672	sing	0.00Å	1.12Å
O20	C78	sing	0.00Å	1.46Å
C78	H781	sing	0.00Å	1.12Å
C78	H782	sing	0.00Å	1.12Å
C78	H783	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C40	O7	116.0°	90.0°
O11	C40	C41	131.0°	90.0°
O7	C40	C41	112.9°	90.0°
C40	O7	C21	112.1°	90.0°
C40	C41	C42	127.2°	90.0°
C40	C41	H41	118.8°	90.0°
O7	C21	C22	95.8°	90.0°
O7	C21	C20	100.3°	90.0°
O7	C21	H21	139.5°	90.0°
C22	C21	C20	140.6°	90.0°
C22	C21	H21	97.6°	90.0°
C21	C22	C23	113.0°	90.0°
C21	C22	C36	117.9°	90.0°
C21	C22	H22	101.6°	90.0°
C20	C21	H21	93.0°	90.0°
C21	C20	C35	114.9°	90.0°
C21	C20	C19	106.3°	90.0°
C21	C20	H20	108.4°	90.0°
C23	C22	C36	113.3°	90.0°
C23	C22	H22	107.7°	90.0°
C22	C23	C24	112.9°	90.0°
C22	C23	O8	110.2°	90.0°
C22	C23	H23	117.9°	90.0°
C36	C22	H22	101.2°	90.0°
C22	C36	H361	117.9°	90.0°
C22	C36	H362	109.2°	90.0°
C22	C36	H363	109.2°	90.0°
C24	C23	O8	127.3°	90.0°
C24	C23	H23	90.6°	90.0°
C23	C24	C25	112.2°	90.0°
C23	C24	C37	120.3°	90.0°
C23	C24	H24	98.7°	90.0°
O8	C23	H23	94.9°	90.0°
C23	O8	HO8	110.3°	90.0°
C25	C24	C37	108.3°	90.0°
C25	C24	H24	113.3°	90.0°
C24	C25	C26	117.7°	90.0°
C24	C25	H251	109.2°	90.0°
C24	C25	H252	109.2°	90.0°
C37	C24	H24	103.4°	90.0°
C24	C37	H371	120.4°	90.0°
C24	C37	H372	108.3°	90.0°
C24	C37	H373	108.3°	90.0°
C26	C25	H251	109.3°	90.0°
C26	C25	H252	109.3°	90.0°
C25	C26	C27	113.4°	90.0°
C25	C26	H261	110.7°	90.0°
C25	C26	H262	110.7°	90.0°
H251	C25	H252	100.8°	90.0°
C27	C26	H261	110.8°	90.0°
C27	C26	H262	110.8°	90.0°
C26	C27	O9	117.5°	90.0°
C26	C27	C28	113.1°	90.0°
C26	C27	H27	99.7°	90.0°
H261	C26	H262	99.6°	90.0°
O9	C27	C28	105.8°	90.0°
O9	C27	H27	107.9°	90.0°
C27	O9	C31	118.9°	90.0°
C28	C27	H27	112.9°	90.0°
C27	C28	C29	110.8°	90.0°
C27	C28	H281	111.7°	90.0°
C27	C28	H282	111.7°	90.0°
O9	C31	C32	113.7°	90.0°
O9	C31	C30	109.9°	90.0°
O9	C31	H31	106.2°	90.0°
C32	C31	C30	109.4°	90.0°
C32	C31	H31	106.8°	90.0°
C31	C32	H321	113.7°	90.0°
C31	C32	H322	110.6°	90.0°
C31	C32	H323	110.7°	90.0°
C30	C31	H31	110.8°	90.0°
C31	C30	C29	109.8°	90.0°
C31	C30	H301	112.0°	90.0°
C31	C30	H302	112.0°	90.0°
H321	C32	H322	110.6°	90.0°
H321	C32	H323	110.7°	90.0°
H322	C32	H323	99.6°	90.0°
C29	C30	H301	112.1°	90.0°
C29	C30	H302	112.1°	90.0°
C30	C29	O10	109.8°	90.0°
C30	C29	C28	106.6°	90.0°
C30	C29	H29	114.2°	90.0°
H301	C30	H302	98.3°	90.0°
O10	C29	C28	117.4°	90.0°
O10	C29	H29	102.8°	90.0°
C29	O10	C39	120.9°	90.0°
C28	C29	H29	106.2°	90.0°
C29	C28	H281	111.7°	90.0°
C29	C28	H282	111.7°	90.0°
O10	C39	H391	120.9°	90.0°
O10	C39	H392	108.1°	90.0°
O10	C39	H393	108.1°	90.0°
H391	C39	H392	108.2°	90.0°
H391	C39	H393	108.2°	90.0°
H392	C39	H393	101.8°	90.0°
H281	C28	H282	98.7°	90.0°
H371	C37	H372	108.4°	90.0°
H371	C37	H373	108.3°	90.0°
H372	C37	H373	101.6°	90.0°
H361	C36	H362	109.2°	90.0°
H361	C36	H363	109.2°	90.0°
H362	C36	H363	100.9°	90.0°
C35	C20	C19	110.8°	90.0°
C35	C20	H20	103.8°	90.0°
C20	C35	H351	114.9°	90.0°
C20	C35	H352	110.2°	90.0°
C20	C35	H353	110.2°	90.0°
C19	C20	H20	112.7°	90.0°
C20	C19	O6	104.7°	90.0°
C20	C19	C18	117.6°	90.0°
C20	C19	H19	107.1°	90.0°
H351	C35	H352	110.3°	90.0°
H351	C35	H353	110.2°	90.0°
H352	C35	H353	100.0°	90.0°
O6	C19	C18	108.7°	90.0°
O6	C19	H19	116.3°	90.0°
C19	O6	HO6	104.7°	90.0°
C18	C19	H19	102.9°	90.0°
C19	C18	C17	114.6°	90.0°
C19	C18	H181	110.3°	90.0°
C19	C18	H182	110.3°	90.0°
C17	C18	H181	110.4°	90.0°
C17	C18	H182	110.4°	90.0°
C18	C17	O5	108.6°	90.0°
C18	C17	C16	112.2°	90.0°
C18	C17	H17	108.3°	90.0°
H181	C18	H182	99.9°	90.0°
O5	C17	C16	109.9°	90.0°
O5	C17	H17	110.7°	90.0°
C17	O5	HO5	108.6°	90.0°
C16	C17	H17	107.0°	90.0°
C17	C16	C34	110.3°	90.0°
C17	C16	C15	109.6°	90.0°
C17	C16	H16	110.2°	90.0°
C34	C16	C15	113.3°	90.0°
C34	C16	H16	106.2°	90.0°
C16	C34	H341	110.3°	90.0°
C16	C34	H342	111.9°	90.0°
C16	C34	H343	111.9°	90.0°
C15	C16	H16	107.0°	90.0°
C16	C15	O4	104.5°	90.0°
C16	C15	C14	113.2°	90.0°
C16	C15	H15	112.5°	90.0°
H341	C34	H342	111.9°	90.0°
H341	C34	H343	111.9°	90.0°
H342	C34	H343	98.5°	90.0°
O4	C15	C14	115.0°	90.0°
O4	C15	H15	110.6°	90.0°
C15	O4	C38	113.0°	90.0°
C14	C15	H15	101.4°	90.0°
C15	C14	C13	118.9°	90.0°
C15	C14	H141	108.8°	90.0°
C15	C14	H142	108.9°	90.0°
O4	C38	H381	113.0°	90.0°
O4	C38	H382	110.9°	90.0°
O4	C38	H383	110.9°	90.0°
H381	C38	H382	111.0°	90.0°
H381	C38	H383	110.9°	90.0°
H382	C38	H383	99.4°	90.0°
C13	C14	H141	108.8°	90.0°
C13	C14	H142	108.8°	90.0°
C14	C13	C12	112.7°	90.0°
C14	C13	O3	106.8°	90.0°
C14	C13	H13	106.7°	90.0°
H141	C14	H142	101.2°	90.0°
C12	C13	O3	100.6°	90.0°
C12	C13	H13	112.3°	90.0°
C13	C12	C11	100.1°	90.0°
C13	C12	H121	115.8°	90.0°
C13	C12	H122	115.8°	90.0°
O3	C13	H13	117.8°	90.0°
C13	O3	C9	117.9°	90.0°
C11	C12	H121	115.8°	90.0°
C11	C12	H122	115.8°	90.0°
C12	C11	C10	120.7°	90.0°
C12	C11	H11	127.4°	90.0°
H121	C12	H122	94.6°	90.0°
C10	C11	H11	111.9°	90.0°
C11	C10	C9	124.2°	90.0°
C11	C10	H10	107.3°	90.0°
C9	C10	H10	128.5°	90.0°
C10	C9	O3	105.3°	90.0°
C10	C9	C8	102.6°	90.0°
C10	C9	H9	117.1°	90.0°
O3	C9	C8	111.7°	90.0°
O3	C9	H9	108.8°	90.0°
C8	C9	H9	111.2°	90.0°
C9	C8	C7	112.5°	90.0°
C9	C8	H81	111.1°	90.0°
C9	C8	H82	111.1°	90.0°
C7	C8	H81	111.1°	90.0°
C7	C8	H82	111.1°	90.0°
C8	C7	O2	107.6°	90.0°
C8	C7	C6	122.8°	90.0°
C8	C7	H7	99.2°	90.0°
H81	C8	H82	99.2°	90.0°
O2	C7	C6	100.4°	90.0°
O2	C7	H7	122.1°	90.0°
C7	O2	HO2	107.5°	90.0°
C6	C7	H7	106.5°	90.0°
C7	C6	C5	119.9°	90.0°
C7	C6	H61A	108.5°	90.0°
C7	C6	H62A	108.5°	90.0°
C5	C6	H61A	108.5°	90.0°
C5	C6	H62A	108.4°	90.0°
C6	C5	C4	127.1°	90.0°
C6	C5	H5	122.1°	90.0°
H61A	C6	H62A	101.5°	90.0°
C4	C5	H5	110.8°	90.0°
C5	C4	C33	122.0°	90.0°
C5	C4	C3	127.4°	90.0°
C33	C4	C3	110.2°	90.0°
C4	C33	H331	122.1°	90.0°
C4	C33	H332	107.7°	90.0°
C4	C33	H333	107.7°	90.0°
C4	C3	C2	126.3°	90.0°
C4	C3	H3	124.1°	90.0°
H331	C33	H332	107.7°	90.0°
H331	C33	H333	107.7°	90.0°
H332	C33	H333	102.1°	90.0°
C2	C3	H3	109.6°	90.0°
C3	C2	C1	125.2°	90.0°
C3	C2	H2	107.1°	90.0°
C1	C2	H2	127.7°	90.0°
C2	C1	O1	110.3°	90.0°
C2	C1	O17	127.3°	90.0°
O1	C1	O17	122.2°	90.0°
C1	O17	C60	114.5°	90.0°
C42	C41	H41	114.1°	90.0°
C41	C42	C43	120.2°	90.0°
C41	C42	H42	117.2°	90.0°
C43	C42	H42	122.6°	90.0°
C42	C43	C72	110.7°	90.0°
C42	C43	C44	136.0°	90.0°
C72	C43	C44	112.6°	90.0°
C43	C72	H721	110.6°	90.0°
C43	C72	H722	111.8°	90.0°
C43	C72	H723	111.7°	90.0°
C43	C44	C45	142.5°	90.0°
C43	C44	H44	101.1°	90.0°
H721	C72	H722	111.7°	90.0°
H721	C72	H723	111.8°	90.0°
H722	C72	H723	98.7°	90.0°
C45	C44	H44	116.4°	90.0°
C44	C45	C46	101.7°	90.0°
C44	C45	H451	115.2°	90.0°
C44	C45	H452	115.2°	90.0°
C46	C45	H451	115.2°	90.0°
C46	C45	H452	115.2°	90.0°
C45	C46	O12	108.5°	90.0°
C45	C46	C47	117.8°	90.0°
C45	C46	H46	105.5°	90.0°
H451	C45	H452	95.3°	90.0°
O12	C46	C47	112.7°	90.0°
O12	C46	H46	111.3°	90.0°
C46	O12	HO12	108.5°	90.0°
C47	C46	H46	100.5°	90.0°
C46	C47	C48	122.7°	90.0°
C46	C47	H471	107.5°	90.0°
C46	C47	H472	107.5°	90.0°
C48	C47	H471	107.5°	90.0°
C48	C47	H472	107.5°	90.0°
C47	C48	O13	110.1°	90.0°
C47	C48	C49	106.7°	90.0°
C47	C48	H48	111.2°	90.0°
H471	C47	H472	102.3°	90.0°
O13	C48	C49	110.4°	90.0°
O13	C48	H48	107.6°	90.0°
C48	O13	C52	111.6°	90.0°
C49	C48	H48	110.9°	90.0°
C48	C49	C50	114.3°	90.0°
C48	C49	H49	129.5°	90.0°
O13	C52	C51	100.3°	90.0°
O13	C52	C53	102.1°	90.0°
O13	C52	H52	119.5°	90.0°
C51	C52	C53	109.9°	90.0°
C51	C52	H52	112.8°	90.0°
C52	C51	C50	114.0°	90.0°
C52	C51	H511	110.5°	90.0°
C52	C51	H512	110.6°	90.0°
C53	C52	H52	111.3°	90.0°
C52	C53	C54	110.8°	90.0°
C52	C53	H531	111.7°	90.0°
C52	C53	H532	111.7°	90.0°
C50	C51	H511	110.6°	90.0°
C50	C51	H512	110.6°	90.0°
C51	C50	C49	122.3°	90.0°
C51	C50	H50	124.0°	90.0°
H511	C51	H512	99.7°	90.0°
C49	C50	H50	113.7°	90.0°
C50	C49	H49	116.2°	90.0°
C54	C53	H531	111.7°	90.0°
C54	C53	H532	111.7°	90.0°
C53	C54	O14	112.8°	90.0°
C53	C54	C55	112.1°	90.0°
C53	C54	H54	104.5°	90.0°
H531	C53	H532	98.7°	90.0°
O14	C54	C55	107.1°	90.0°
O14	C54	H54	109.8°	90.0°
C54	O14	C77	109.3°	90.0°
C55	C54	H54	110.6°	90.0°
C54	C55	C73	110.4°	90.0°
C54	C55	C56	108.3°	90.0°
C54	C55	H55	110.0°	90.0°
O14	C77	H771	109.4°	90.0°
O14	C77	H772	112.3°	90.0°
O14	C77	H773	112.3°	90.0°
H771	C77	H772	112.2°	90.0°
H771	C77	H773	112.2°	90.0°
H772	C77	H773	98.2°	90.0°
C73	C55	C56	110.8°	90.0°
C73	C55	H55	107.6°	90.0°
C55	C73	H731	110.4°	90.0°
C55	C73	H732	111.8°	90.0°
C55	C73	H733	111.9°	90.0°
C56	C55	H55	109.7°	90.0°
C55	C56	O15	107.8°	90.0°
C55	C56	C57	112.3°	90.0°
C55	C56	H56	109.3°	90.0°
H731	C73	H732	111.9°	90.0°
H731	C73	H733	111.8°	90.0°
H732	C73	H733	98.5°	90.0°
O15	C56	C57	111.0°	90.0°
O15	C56	H56	110.5°	90.0°
C56	O15	HO15	107.8°	90.0°
C57	C56	H56	106.0°	90.0°
C56	C57	C58	115.1°	90.0°
C56	C57	H571	110.1°	90.0°
C56	C57	H572	110.2°	90.0°
C58	C57	H571	110.2°	90.0°
C58	C57	H572	110.2°	90.0°
C57	C58	O16	104.4°	90.0°
C57	C58	C59	120.3°	90.0°
C57	C58	H58	105.8°	90.0°
H571	C57	H572	100.1°	90.0°
O16	C58	C59	109.9°	90.0°
O16	C58	H58	117.2°	90.0°
C58	O16	HO16	104.4°	90.0°
C59	C58	H58	99.9°	90.0°
C58	C59	C74	112.6°	90.0°
C58	C59	C60	110.6°	90.0°
C58	C59	H59	107.2°	90.0°
C74	C59	C60	111.1°	90.0°
C74	C59	H59	106.5°	90.0°
C59	C74	H741	112.6°	90.0°
C59	C74	H742	111.1°	90.0°
C59	C74	H743	111.1°	90.0°
C60	C59	H59	108.7°	90.0°
C59	C60	O17	110.6°	90.0°
C59	C60	C61	113.1°	90.0°
C59	C60	H60	107.7°	90.0°
H741	C74	H742	111.0°	90.0°
H741	C74	H743	111.0°	90.0°
H742	C74	H743	99.3°	90.0°
O17	C60	C61	113.7°	90.0°
O17	C60	H60	107.0°	90.0°
C61	C60	H60	104.1°	90.0°
C60	C61	C75	112.6°	90.0°
C60	C61	C62	113.2°	90.0°
C60	C61	H61	106.6°	90.0°
C75	C61	C62	114.7°	90.0°
C75	C61	H61	104.7°	90.0°
C61	C75	H751	112.6°	90.0°
C61	C75	H752	111.1°	90.0°
C61	C75	H753	111.1°	90.0°
C62	C61	H61	104.0°	90.0°
C61	C62	O18	114.4°	90.0°
C61	C62	C63	128.1°	90.0°
C61	C62	H62	87.3°	90.0°
H751	C75	H752	111.0°	90.0°
H751	C75	H753	111.1°	90.0°
H752	C75	H753	99.3°	90.0°
O18	C62	C63	104.7°	90.0°
O18	C62	H62	120.5°	90.0°
C62	O18	HO18	114.4°	90.0°
C63	C62	H62	101.4°	90.0°
C62	C63	C76	112.0°	90.0°
C62	C63	C64	116.9°	90.0°
C62	C63	H63	102.9°	90.0°
C76	C63	C64	112.0°	90.0°
C76	C63	H63	109.0°	90.0°
C63	C76	H761	112.0°	90.0°
C63	C76	H762	111.3°	90.0°
C63	C76	H763	111.3°	90.0°
C64	C63	H63	102.9°	90.0°
C63	C64	C65	113.6°	90.0°
C63	C64	H641	110.7°	90.0°
C63	C64	H642	110.7°	90.0°
H761	C76	H762	111.2°	90.0°
H761	C76	H763	111.3°	90.0°
H762	C76	H763	99.1°	90.0°
C65	C64	H641	110.7°	90.0°
C65	C64	H642	110.7°	90.0°
C64	C65	C66	115.7°	90.0°
C64	C65	H651	109.9°	90.0°
C64	C65	H652	109.9°	90.0°
H641	C64	H642	99.6°	90.0°
C66	C65	H651	109.9°	90.0°
C66	C65	H652	110.0°	90.0°
C65	C66	O19	113.2°	90.0°
C65	C66	C67	109.9°	90.0°
C65	C66	H66	106.6°	90.0°
H651	C65	H652	100.3°	90.0°
O19	C66	C67	109.2°	90.0°
O19	C66	H66	107.3°	90.0°
C66	O19	C70	117.0°	90.0°
C67	C66	H66	110.7°	90.0°
C66	C67	C68	111.6°	90.0°
C66	C67	H671	111.4°	90.0°
C66	C67	H672	111.4°	90.0°
O19	C70	C71	105.1°	90.0°
O19	C70	C69	110.1°	90.0°
O19	C70	H70	112.8°	90.0°
C71	C70	C69	112.3°	90.0°
C71	C70	H70	110.8°	90.0°
C70	C71	H711	105.1°	90.0°
C70	C71	H712	113.8°	90.0°
C70	C71	H713	113.8°	90.0°
C69	C70	H70	105.8°	90.0°
C70	C69	C68	109.3°	90.0°
C70	C69	H691	112.3°	90.0°
C70	C69	H692	112.3°	90.0°
H711	C71	H712	113.9°	90.0°
H711	C71	H713	113.9°	90.0°
H712	C71	H713	96.7°	90.0°
C68	C69	H691	112.2°	90.0°
C68	C69	H692	112.2°	90.0°
C69	C68	C67	114.3°	90.0°
C69	C68	O20	111.7°	90.0°
C69	C68	H68	103.7°	90.0°
H691	C69	H692	98.2°	90.0°
C67	C68	O20	106.9°	90.0°
C67	C68	H68	108.8°	90.0°
C68	C67	H671	111.4°	90.0°
C68	C67	H672	111.4°	90.0°
O20	C68	H68	111.5°	90.0°
C68	O20	C78	123.3°	90.0°
H671	C67	H672	98.9°	90.0°
O20	C78	H781	123.3°	90.0°
O20	C78	H782	107.3°	90.0°
O20	C78	H783	107.3°	90.0°
H781	C78	H782	107.2°	90.0°
H781	C78	H783	107.3°	90.0°
H782	C78	H783	102.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C40	O7	C41	176.1°	90.0°
O11	C40	O7	C21	4.7°	90.0°
O11	C40	C41	C42	0.6°	90.0°
O11	C40	C41	H41	179.4°	90.0°
C40	O7	C21	C22	72.3°	90.0°
C40	O7	C21	C20	143.8°	90.0°
C40	O7	C21	H21	36.6°	90.0°
O7	C40	C41	C42	175.9°	90.0°
O7	C40	C41	H41	4.1°	90.0°
C41	C40	O7	C21	171.4°	90.0°
C40	C41	C42	H41	180.0°	90.0°
C40	C41	C42	C43	177.8°	90.0°
C40	C41	C42	H42	2.2°	90.0°
O7	C21	C22	C20	114.1°	90.0°
O7	C21	C22	H21	141.7°	90.0°
O7	C21	C20	H21	141.6°	90.0°
O7	C21	C22	C23	110.7°	90.0°
O7	C21	C22	C36	113.9°	90.0°
O7	C21	C22	H22	4.4°	90.0°
O7	C21	C20	C35	172.3°	90.0°
O7	C21	C20	C19	64.7°	90.0°
O7	C21	C20	H20	56.7°	90.0°
C22	C21	C20	H21	105.8°	90.0°
C21	C22	C23	C36	137.5°	90.0°
C21	C22	C23	H22	111.4°	90.0°
C21	C22	C36	H22	109.7°	90.0°
C21	C22	C23	C24	170.8°	90.0°
C21	C22	C23	O8	40.3°	90.0°
C21	C22	C23	H23	67.1°	90.0°
C21	C22	C36	H361	180.0°	90.0°
C21	C22	C36	H362	54.7°	90.0°
C21	C22	C36	H363	54.7°	90.0°
C22	C21	C20	C35	59.7°	90.0°
C22	C21	C20	C19	177.3°	90.0°
C22	C21	C20	H20	55.9°	90.0°
C20	C21	C22	C23	3.4°	90.0°
C20	C21	C22	C36	132.0°	90.0°
C20	C21	C22	H22	118.5°	90.0°
C21	C20	C35	C19	120.5°	90.0°
C21	C20	C35	H20	118.2°	90.0°
C21	C20	C19	H20	118.7°	90.0°
C21	C20	C35	H351	180.0°	90.0°
C21	C20	C35	H352	54.7°	90.0°
C21	C20	C35	H353	54.8°	90.0°
C21	C20	C19	O6	58.7°	90.0°
C21	C20	C19	C18	179.5°	90.0°
C21	C20	C19	H19	65.3°	90.0°
H21	C21	C22	C23	107.6°	90.0°
H21	C21	C22	C36	27.8°	90.0°
H21	C21	C22	H22	137.3°	90.0°
H21	C21	C20	C35	46.1°	90.0°
H21	C21	C20	C19	76.8°	90.0°
H21	C21	C20	H20	161.7°	90.0°
C23	C22	C36	H22	115.0°	90.0°
C22	C23	C24	O8	142.4°	90.0°
C22	C23	C24	H23	120.9°	90.0°
C22	C23	O8	H23	122.2°	90.0°
C22	C23	C24	C25	102.8°	90.0°
C22	C23	C24	C37	26.4°	90.0°
C22	C23	C24	H24	137.5°	90.0°
C22	C23	O8	HO8	180.0°	90.0°
C23	C22	C36	H361	44.7°	90.0°
C23	C22	C36	H362	170.0°	90.0°
C23	C22	C36	H363	80.6°	90.0°
C36	C22	C23	C24	33.4°	90.0°
C36	C22	C23	O8	177.8°	90.0°
C36	C22	C23	H23	70.4°	90.0°
C22	C36	H361	H362	125.3°	90.0°
C22	C36	H361	H363	125.3°	90.0°
C22	C36	H362	H363	114.9°	90.0°
H22	C22	C23	C24	77.7°	90.0°
H22	C22	C23	O8	71.1°	90.0°
H22	C22	C23	H23	178.5°	90.0°
H22	C22	C36	H361	70.3°	90.0°
H22	C22	C36	H362	55.0°	90.0°
H22	C22	C36	H363	164.4°	90.0°
C24	C23	O8	H23	94.6°	90.0°
C23	C24	C25	C37	135.2°	90.0°
C23	C24	C25	H24	110.7°	90.0°
C23	C24	C37	H24	108.6°	90.0°
C23	C24	C25	C26	139.3°	90.0°
C23	C24	C25	H251	95.4°	90.0°
C23	C24	C25	H252	14.0°	90.0°
C23	C24	C37	H371	180.0°	90.0°
C23	C24	C37	H372	54.7°	90.0°
C23	C24	C37	H373	54.7°	90.0°
C24	C23	O8	HO8	36.8°	90.0°
O8	C23	C24	C25	114.7°	90.0°
O8	C23	C24	C37	116.1°	90.0°
O8	C23	C24	H24	4.9°	90.0°
H23	C23	C24	C25	18.0°	90.0°
H23	C23	C24	C37	147.2°	90.0°
H23	C23	C24	H24	101.6°	90.0°
H23	C23	O8	HO8	57.8°	90.0°
C25	C24	C37	H24	120.5°	90.0°
C24	C25	C26	H251	125.3°	90.0°
C24	C25	C26	H252	125.3°	90.0°
C24	C25	H251	H252	114.9°	90.0°
C24	C25	C26	C27	158.5°	90.0°
C24	C25	C26	H261	33.2°	90.0°
C24	C25	C26	H262	76.2°	90.0°
C25	C24	C37	H371	49.1°	90.0°
C25	C24	C37	H372	174.4°	90.0°
C25	C24	C37	H373	76.1°	90.0°
C37	C24	C25	C26	85.5°	90.0°
C37	C24	C25	H251	39.7°	90.0°
C37	C24	C25	H252	149.2°	90.0°
C24	C37	H371	H372	125.3°	90.0°
C24	C37	H371	H373	125.3°	90.0°
C24	C37	H372	H373	113.9°	90.0°
H24	C24	C25	C26	28.6°	90.0°
H24	C24	C25	H251	153.8°	90.0°
H24	C24	C25	H252	96.7°	90.0°
H24	C24	C37	H371	71.4°	90.0°
H24	C24	C37	H372	53.9°	90.0°
H24	C24	C37	H373	163.3°	90.0°
C26	C25	H251	H252	115.0°	90.0°
C25	C26	C27	H261	125.2°	90.0°
C25	C26	C27	H262	125.2°	90.0°
C25	C26	H261	H262	116.6°	90.0°
C25	C26	C27	O9	53.9°	90.0°
C25	C26	C27	C28	177.7°	90.0°
C25	C26	C27	H27	62.1°	90.0°
H251	C25	C26	C27	76.2°	90.0°
H251	C25	C26	H261	158.5°	90.0°
H251	C25	C26	H262	49.0°	90.0°
H252	C25	C26	C27	33.2°	90.0°
H252	C25	C26	H261	92.0°	90.0°
H252	C25	C26	H262	158.5°	90.0°
C27	C26	H261	H262	116.7°	90.0°
C26	C27	O9	C28	127.4°	90.0°
C26	C27	O9	H27	111.5°	90.0°
C26	C27	C28	H27	112.2°	90.0°
C26	C27	O9	C31	64.3°	90.0°
C26	C27	C28	C29	73.2°	90.0°
C26	C27	C28	H281	161.5°	90.0°
C26	C27	C28	H282	52.0°	90.0°
H261	C26	C27	O9	179.2°	90.0°
H261	C26	C27	C28	57.0°	90.0°
H261	C26	C27	H27	63.1°	90.0°
H262	C26	C27	O9	71.3°	90.0°
H262	C26	C27	C28	52.5°	90.0°
H262	C26	C27	H27	172.6°	90.0°
O9	C27	C28	H27	117.7°	90.0°
C27	O9	C31	C32	173.1°	90.0°
C27	O9	C31	C30	63.9°	90.0°
C27	O9	C31	H31	56.0°	90.0°
O9	C27	C28	C29	56.8°	90.0°
O9	C27	C28	H281	68.5°	90.0°
O9	C27	C28	H282	178.0°	90.0°
C28	C27	O9	C31	63.1°	90.0°
C27	C28	C29	C30	55.4°	90.0°
C27	C28	C29	O10	178.9°	90.0°
C27	C28	C29	H281	125.2°	90.0°
C27	C28	C29	H282	125.2°	90.0°
C27	C28	C29	H29	66.9°	90.0°
C27	C28	H281	H282	117.6°	90.0°
H27	C27	O9	C31	175.9°	90.0°
H27	C27	C28	C29	174.5°	90.0°
H27	C27	C28	H281	49.3°	90.0°
H27	C27	C28	H282	60.2°	90.0°
O9	C31	C32	C30	123.3°	90.0°
O9	C31	C32	H31	116.8°	90.0°
O9	C31	C30	H31	117.1°	90.0°
O9	C31	C32	H321	180.0°	90.0°
O9	C31	C32	H322	54.8°	90.0°
O9	C31	C32	H323	54.7°	90.0°
O9	C31	C30	C29	55.5°	90.0°
O9	C31	C30	H301	179.2°	90.0°
O9	C31	C30	H302	69.8°	90.0°
C32	C31	C30	H31	117.4°	90.0°
C31	C32	H321	H322	125.2°	90.0°
C31	C32	H321	H323	125.3°	90.0°
C31	C32	H322	H323	116.5°	90.0°
C32	C31	C30	C29	179.0°	90.0°
C32	C31	C30	H301	53.7°	90.0°
C32	C31	C30	H302	55.7°	90.0°
C30	C31	C32	H321	56.7°	90.0°
C30	C31	C32	H322	178.1°	90.0°
C30	C31	C32	H323	68.6°	90.0°
C31	C30	C29	H301	125.2°	90.0°
C31	C30	C29	H302	125.3°	90.0°
C31	C30	H301	H302	117.9°	90.0°
C31	C30	C29	O10	178.5°	90.0°
C31	C30	C29	C28	53.4°	90.0°
C31	C30	C29	H29	63.6°	90.0°
H31	C31	C32	H321	63.2°	90.0°
H31	C31	C32	H322	62.0°	90.0°
H31	C31	C32	H323	171.5°	90.0°
H31	C31	C30	C29	61.5°	90.0°
H31	C31	C30	H301	63.7°	90.0°
H31	C31	C30	H302	173.2°	90.0°
H321	C32	H322	H323	116.5°	90.0°
C29	C30	H301	H302	118.1°	90.0°
C30	C29	O10	C28	122.0°	90.0°
C30	C29	O10	H29	122.0°	90.0°
C30	C29	C28	H29	122.2°	90.0°
C30	C29	O10	C39	104.0°	90.0°
C30	C29	C28	H281	69.9°	90.0°
C30	C29	C28	H282	179.4°	90.0°
H301	C30	C29	O10	53.3°	90.0°
H301	C30	C29	C28	178.6°	90.0°
H301	C30	C29	H29	61.6°	90.0°
H302	C30	C29	O10	56.3°	90.0°
H302	C30	C29	C28	71.9°	90.0°
H302	C30	C29	H29	171.1°	90.0°
O10	C29	C28	H29	114.2°	90.0°
C29	O10	C39	H391	180.0°	90.0°
C29	O10	C39	H392	54.7°	90.0°
C29	O10	C39	H393	54.7°	90.0°
O10	C29	C28	H281	53.7°	90.0°
O10	C29	C28	H282	55.8°	90.0°
C28	C29	O10	C39	17.9°	90.0°
C29	C28	H281	H282	117.7°	90.0°
H29	C29	O10	C39	134.0°	90.0°
H29	C29	C28	H281	167.9°	90.0°
H29	C29	C28	H282	58.4°	90.0°
O10	C39	H391	H392	125.2°	90.0°
O10	C39	H391	H393	125.2°	90.0°
O10	C39	H392	H393	113.7°	90.0°
H391	C39	H392	H393	113.8°	90.0°
H371	C37	H372	H373	113.9°	90.0°
H361	C36	H362	H363	114.9°	90.0°
C35	C20	C19	H20	115.8°	90.0°
C20	C35	H351	H352	125.3°	90.0°
C20	C35	H351	H353	125.2°	90.0°
C20	C35	H352	H353	116.0°	90.0°
C35	C20	C19	O6	66.8°	90.0°
C35	C20	C19	C18	54.0°	90.0°
C35	C20	C19	H19	169.2°	90.0°
C19	C20	C35	H351	59.4°	90.0°
C19	C20	C35	H352	175.2°	90.0°
C19	C20	C35	H353	65.8°	90.0°
C20	C19	O6	C18	126.5°	90.0°
C20	C19	O6	H19	118.0°	90.0°
C20	C19	C18	H19	117.5°	90.0°
C20	C19	O6	HO6	180.0°	90.0°
C20	C19	C18	C17	57.9°	90.0°
C20	C19	C18	H181	67.4°	90.0°
C20	C19	C18	H182	176.9°	90.0°
H20	C20	C35	H351	61.8°	90.0°
H20	C20	C35	H352	63.5°	90.0°
H20	C20	C35	H353	173.0°	90.0°
H20	C20	C19	O6	177.4°	90.0°
H20	C20	C19	C18	61.8°	90.0°
H20	C20	C19	H19	53.4°	90.0°
H351	C35	H352	H353	116.1°	90.0°
O6	C19	C18	H19	123.8°	90.0°
O6	C19	C18	C17	176.6°	90.0°
O6	C19	C18	H181	51.3°	90.0°
O6	C19	C18	H182	58.2°	90.0°
C18	C19	O6	HO6	53.5°	90.0°
C19	C18	C17	H181	125.3°	90.0°
C19	C18	C17	H182	125.2°	90.0°
C19	C18	H181	H182	116.1°	90.0°
C19	C18	C17	O5	45.6°	90.0°
C19	C18	C17	C16	167.4°	90.0°
C19	C18	C17	H17	74.7°	90.0°
H19	C19	O6	HO6	62.0°	90.0°
H19	C19	C18	C17	59.6°	90.0°
H19	C19	C18	H181	175.1°	90.0°
H19	C19	C18	H182	65.7°	90.0°
C17	C18	H181	H182	116.2°	90.0°
C18	C17	O5	C16	123.1°	90.0°
C18	C17	O5	H17	118.9°	90.0°
C18	C17	C16	H17	118.7°	90.0°
C18	C17	O5	HO5	180.0°	90.0°
C18	C17	C16	C34	56.8°	90.0°
C18	C17	C16	C15	177.7°	90.0°
C18	C17	C16	H16	60.2°	90.0°
H181	C18	C17	O5	170.9°	90.0°
H181	C18	C17	C16	67.4°	90.0°
H181	C18	C17	H17	50.5°	90.0°
H182	C18	C17	O5	79.6°	90.0°
H182	C18	C17	C16	42.1°	90.0°
H182	C18	C17	H17	160.0°	90.0°
O5	C17	C16	H17	120.3°	90.0°
O5	C17	C16	C34	177.8°	90.0°
O5	C17	C16	C15	56.7°	90.0°
O5	C17	C16	H16	60.8°	90.0°
C16	C17	O5	HO5	56.8°	90.0°
C17	C16	C34	C15	123.3°	90.0°
C17	C16	C34	H16	119.5°	90.0°
C17	C16	C15	H16	119.5°	90.0°
C17	C16	C34	H341	180.0°	90.0°
C17	C16	C34	H342	54.7°	90.0°
C17	C16	C34	H343	54.7°	90.0°
C17	C16	C15	O4	74.4°	90.0°
C17	C16	C15	C14	159.7°	90.0°
C17	C16	C15	H15	45.6°	90.0°
H17	C17	O5	HO5	61.2°	90.0°
H17	C17	C16	C34	61.9°	90.0°
H17	C17	C16	C15	63.6°	90.0°
H17	C17	C16	H16	178.9°	90.0°
C34	C16	C15	H16	116.7°	90.0°
C16	C34	H341	H342	125.3°	90.0°
C16	C34	H341	H343	125.3°	90.0°
C16	C34	H342	H343	117.8°	90.0°
C34	C16	C15	O4	49.3°	90.0°
C34	C16	C15	C14	76.5°	90.0°
C34	C16	C15	H15	169.3°	90.0°
C15	C16	C34	H341	56.7°	90.0°
C15	C16	C34	H342	68.6°	90.0°
C15	C16	C34	H343	178.1°	90.0°
C16	C15	O4	C14	124.7°	90.0°
C16	C15	O4	H15	121.2°	90.0°
C16	C15	C14	H15	120.7°	90.0°
C16	C15	O4	C38	159.2°	90.0°
C16	C15	C14	C13	81.6°	90.0°
C16	C15	C14	H141	153.1°	90.0°
C16	C15	C14	H142	43.6°	90.0°
H16	C16	C34	H341	60.5°	90.0°
H16	C16	C34	H342	174.2°	90.0°
H16	C16	C34	H343	64.7°	90.0°
H16	C16	C15	O4	166.1°	90.0°
H16	C16	C15	C14	40.2°	90.0°
H16	C16	C15	H15	73.9°	90.0°
H341	C34	H342	H343	117.8°	90.0°
O4	C15	C14	H15	119.3°	90.0°
C15	O4	C38	H381	180.0°	90.0°
C15	O4	C38	H382	54.7°	90.0°
C15	O4	C38	H383	54.7°	90.0°
O4	C15	C14	C13	158.4°	90.0°
O4	C15	C14	H141	33.2°	90.0°
O4	C15	C14	H142	76.4°	90.0°
C14	C15	O4	C38	76.1°	90.0°
C15	C14	C13	H141	125.3°	90.0°
C15	C14	C13	H142	125.3°	90.0°
C15	C14	H141	H142	114.6°	90.0°
C15	C14	C13	C12	169.0°	90.0°
C15	C14	C13	O3	59.5°	90.0°
C15	C14	C13	H13	67.3°	90.0°
H15	C15	O4	C38	38.0°	90.0°
H15	C15	C14	C13	39.1°	90.0°
H15	C15	C14	H141	86.2°	90.0°
H15	C15	C14	H142	164.3°	90.0°
O4	C38	H381	H382	125.3°	90.0°
O4	C38	H381	H383	125.3°	90.0°
O4	C38	H382	H383	116.7°	90.0°
H381	C38	H382	H383	116.8°	90.0°
C13	C14	H141	H142	114.5°	90.0°
C14	C13	C12	O3	113.4°	90.0°
C14	C13	C12	H13	120.6°	90.0°
C14	C13	O3	H13	119.9°	90.0°
C14	C13	C12	C11	171.6°	90.0°
C14	C13	C12	H121	63.2°	90.0°
C14	C13	C12	H122	46.4°	90.0°
C14	C13	O3	C9	174.9°	90.0°
H141	C14	C13	C12	43.7°	90.0°
H141	C14	C13	O3	65.8°	90.0°
H141	C14	C13	H13	167.4°	90.0°
H142	C14	C13	C12	65.8°	90.0°
H142	C14	C13	O3	175.3°	90.0°
H142	C14	C13	H13	58.0°	90.0°
C12	C13	O3	H13	122.3°	90.0°
C13	C12	C11	H121	125.3°	90.0°
C13	C12	C11	H122	125.3°	90.0°
C13	C12	H121	H122	121.7°	90.0°
C13	C12	C11	C10	47.5°	90.0°
C13	C12	C11	H11	132.5°	90.0°
C12	C13	O3	C9	67.3°	90.0°
O3	C13	C12	C11	75.0°	90.0°
O3	C13	C12	H121	50.2°	90.0°
O3	C13	C12	H122	159.7°	90.0°
C13	O3	C9	C10	21.5°	90.0°
C13	O3	C9	C8	89.1°	90.0°
C13	O3	C9	H9	147.8°	90.0°
H13	C13	C12	C11	51.0°	90.0°
H13	C13	C12	H121	176.3°	90.0°
H13	C13	C12	H122	74.2°	90.0°
H13	C13	O3	C9	55.0°	90.0°
C11	C12	H121	H122	121.6°	90.0°
C12	C11	C10	H11	180.0°	90.0°
C12	C11	C10	C9	1.4°	90.0°
C12	C11	C10	H10	178.7°	90.0°
H121	C12	C11	C10	77.8°	90.0°
H121	C12	C11	H11	102.2°	90.0°
H122	C12	C11	C10	172.8°	90.0°
H122	C12	C11	H11	7.2°	90.0°
C11	C10	C9	H10	180.0°	90.0°
C11	C10	C9	O3	14.5°	90.0°
C11	C10	C9	C8	131.6°	90.0°
C11	C10	C9	H9	106.4°	90.0°
H11	C11	C10	C9	178.6°	90.0°
H11	C11	C10	H10	1.4°	90.0°
C10	C9	O3	C8	110.6°	90.0°
C10	C9	O3	H9	126.2°	90.0°
C10	C9	C8	H9	125.9°	90.0°
C10	C9	C8	C7	173.9°	90.0°
C10	C9	C8	H81	60.8°	90.0°
C10	C9	C8	H82	48.6°	90.0°
H10	C10	C9	O3	165.4°	90.0°
H10	C10	C9	C8	48.4°	90.0°
H10	C10	C9	H9	73.6°	90.0°
O3	C9	C8	H9	121.7°	90.0°
O3	C9	C8	C7	61.6°	90.0°
O3	C9	C8	H81	173.2°	90.0°
O3	C9	C8	H82	63.7°	90.0°
C9	C8	C7	H81	125.3°	90.0°
C9	C8	C7	H82	125.3°	90.0°
C9	C8	H81	H82	117.0°	90.0°
C9	C8	C7	O2	61.0°	90.0°
C9	C8	C7	C6	176.4°	90.0°
C9	C8	C7	H7	67.0°	90.0°
H9	C9	C8	C7	60.2°	90.0°
H9	C9	C8	H81	65.1°	90.0°
H9	C9	C8	H82	174.5°	90.0°
C7	C8	H81	H82	116.9°	90.0°
C8	C7	O2	C6	129.5°	90.0°
C8	C7	O2	H7	113.4°	90.0°
C8	C7	C6	H7	113.0°	90.0°
C8	C7	O2	HO2	179.9°	90.0°
C8	C7	C6	C5	69.5°	90.0°
C8	C7	C6	H61A	165.2°	90.0°
C8	C7	C6	H62A	55.8°	90.0°
H81	C8	C7	O2	64.3°	90.0°
H81	C8	C7	C6	51.1°	90.0°
H81	C8	C7	H7	167.7°	90.0°
H82	C8	C7	O2	173.7°	90.0°
H82	C8	C7	C6	58.2°	90.0°
H82	C8	C7	H7	58.3°	90.0°
O2	C7	C6	H7	128.1°	90.0°
O2	C7	C6	C5	171.6°	90.0°
O2	C7	C6	H61A	46.3°	90.0°
O2	C7	C6	H62A	63.1°	90.0°
C6	C7	O2	HO2	50.5°	90.0°
C7	C6	C5	H61A	125.3°	90.0°
C7	C6	C5	H62A	125.2°	90.0°
C7	C6	H61A	H62A	114.1°	90.0°
C7	C6	C5	C4	111.0°	90.0°
C7	C6	C5	H5	69.0°	90.0°
H7	C7	O2	HO2	66.7°	90.0°
H7	C7	C6	C5	43.5°	90.0°
H7	C7	C6	H61A	81.8°	90.0°
H7	C7	C6	H62A	168.7°	90.0°
C5	C6	H61A	H62A	114.1°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C6	C5	C4	C33	7.7°	90.0°
C6	C5	C4	C3	179.9°	90.0°
H61A	C6	C5	C4	123.6°	90.0°
H61A	C6	C5	H5	56.3°	90.0°
H62A	C6	C5	C4	14.2°	90.0°
H62A	C6	C5	H5	165.8°	90.0°
C5	C4	C33	C3	173.5°	90.0°
C5	C4	C33	H331	180.0°	90.0°
C5	C4	C33	H332	54.7°	90.0°
C5	C4	C33	H333	54.7°	90.0°
C5	C4	C3	C2	35.2°	90.0°
C5	C4	C3	H3	144.8°	90.0°
H5	C5	C4	C33	172.2°	90.0°
H5	C5	C4	C3	0.1°	90.0°
C4	C33	H331	H332	125.3°	90.0°
C4	C33	H331	H333	125.3°	90.0°
C4	C33	H332	H333	113.3°	90.0°
C33	C4	C3	C2	151.7°	90.0°
C33	C4	C3	H3	28.3°	90.0°
C3	C4	C33	H331	6.5°	90.0°
C3	C4	C33	H332	118.8°	90.0°
C3	C4	C33	H333	131.7°	90.0°
C4	C3	C2	H3	180.0°	90.0°
C4	C3	C2	C1	177.0°	90.0°
C4	C3	C2	H2	3.0°	90.0°
H331	C33	H332	H333	113.3°	90.0°
C3	C2	C1	H2	180.0°	90.0°
C3	C2	C1	O1	171.2°	90.0°
C3	C2	C1	O17	3.7°	90.0°
H3	C3	C2	C1	3.0°	90.0°
H3	C3	C2	H2	177.0°	90.0°
C2	C1	O1	O17	175.3°	90.0°
C2	C1	O17	C60	173.6°	90.0°
H2	C2	C1	O1	8.8°	90.0°
H2	C2	C1	O17	176.2°	90.0°
O1	C1	O17	C60	0.8°	90.0°
C1	O17	C60	C59	132.0°	90.0°
C1	O17	C60	C61	99.4°	90.0°
C1	O17	C60	H60	15.0°	90.0°
C41	C42	C43	H42	180.0°	90.0°
C41	C42	C43	C72	20.8°	90.0°
C41	C42	C43	C44	148.4°	90.0°
H41	C41	C42	C43	2.1°	90.0°
H41	C41	C42	H42	177.8°	90.0°
C42	C43	C72	C44	171.8°	90.0°
C42	C43	C72	H721	180.0°	90.0°
C42	C43	C72	H722	54.8°	90.0°
C42	C43	C72	H723	54.8°	90.0°
C42	C43	C44	C45	22.1°	90.0°
C42	C43	C44	H44	157.9°	90.0°
H42	C42	C43	C72	159.2°	90.0°
H42	C42	C43	C44	31.6°	90.0°
C43	C72	H721	H722	125.2°	90.0°
C43	C72	H721	H723	125.2°	90.0°
C43	C72	H722	H723	117.7°	90.0°
C72	C43	C44	C45	169.0°	90.0°
C72	C43	C44	H44	11.1°	90.0°
C44	C43	C72	H721	8.2°	90.0°
C44	C43	C72	H722	133.4°	90.0°
C44	C43	C72	H723	117.1°	90.0°
C43	C44	C45	H44	180.0°	90.0°
C43	C44	C45	C46	103.2°	90.0°
C43	C44	C45	H451	131.6°	90.0°
C43	C44	C45	H452	22.1°	90.0°
H721	C72	H722	H723	117.7°	90.0°
C44	C45	C46	H451	125.3°	90.0°
C44	C45	C46	H452	125.3°	90.0°
C44	C45	H451	H452	121.1°	90.0°
C44	C45	C46	O12	147.2°	90.0°
C44	C45	C46	C47	83.2°	90.0°
C44	C45	C46	H46	27.9°	90.0°
H44	C44	C45	C46	76.8°	90.0°
H44	C44	C45	H451	48.4°	90.0°
H44	C44	C45	H452	157.9°	90.0°
C46	C45	H451	H452	121.0°	90.0°
C45	C46	O12	C47	132.3°	90.0°
C45	C46	O12	H46	115.6°	90.0°
C45	C46	C47	H46	113.8°	90.0°
C45	C46	O12	HO12	179.9°	90.0°
C45	C46	C47	C48	135.1°	90.0°
C45	C46	C47	H471	9.8°	90.0°
C45	C46	C47	H472	99.7°	90.0°
H451	C45	C46	O12	21.9°	90.0°
H451	C45	C46	C47	151.5°	90.0°
H451	C45	C46	H46	97.4°	90.0°
H452	C45	C46	O12	87.5°	90.0°
H452	C45	C46	C47	42.1°	90.0°
H452	C45	C46	H46	153.2°	90.0°
O12	C46	C47	H46	118.6°	90.0°
O12	C46	C47	C48	7.4°	90.0°
O12	C46	C47	H471	117.8°	90.0°
O12	C46	C47	H472	132.7°	90.0°
C47	C46	O12	HO12	47.6°	90.0°
C46	C47	C48	H471	125.2°	90.0°
C46	C47	C48	H472	125.3°	90.0°
C46	C47	H471	H472	113.1°	90.0°
C46	C47	C48	O13	97.4°	90.0°
C46	C47	C48	C49	142.9°	90.0°
C46	C47	C48	H48	21.8°	90.0°
H46	C46	O12	HO12	64.4°	90.0°
H46	C46	C47	C48	111.1°	90.0°
H46	C46	C47	H471	123.6°	90.0°
H46	C46	C47	H472	14.1°	90.0°
C48	C47	H471	H472	113.0°	90.0°
C47	C48	O13	C49	117.5°	90.0°
C47	C48	O13	H48	121.4°	90.0°
C47	C48	C49	H48	121.3°	90.0°
C47	C48	O13	C52	77.1°	90.0°
C47	C48	C49	C50	136.4°	90.0°
C47	C48	C49	H49	43.6°	90.0°
H471	C47	C48	O13	27.9°	90.0°
H471	C47	C48	C49	91.9°	90.0°
H471	C47	C48	H48	147.0°	90.0°
H472	C47	C48	O13	137.4°	90.0°
H472	C47	C48	C49	17.6°	90.0°
H472	C47	C48	H48	103.5°	90.0°
O13	C48	C49	H48	119.1°	90.0°
C48	O13	C52	C51	71.4°	90.0°
C48	O13	C52	C53	175.5°	90.0°
C48	O13	C52	H52	52.3°	90.0°
O13	C48	C49	C50	16.9°	90.0°
O13	C48	C49	H49	163.2°	90.0°
C49	C48	O13	C52	40.4°	90.0°
C48	C49	C50	C51	40.9°	90.0°
C48	C49	C50	H49	180.0°	90.0°
C48	C49	C50	H50	139.0°	90.0°
H48	C48	O13	C52	161.6°	90.0°
H48	C48	C49	C50	102.3°	90.0°
H48	C48	C49	H49	77.7°	90.0°
O13	C52	C51	C53	107.0°	90.0°
O13	C52	C51	H52	128.3°	90.0°
O13	C52	C53	H52	128.6°	90.0°
O13	C52	C51	C50	49.2°	90.0°
O13	C52	C51	H511	76.0°	90.0°
O13	C52	C51	H512	174.5°	90.0°
O13	C52	C53	C54	81.9°	90.0°
O13	C52	C53	H531	152.8°	90.0°
O13	C52	C53	H532	43.3°	90.0°
C51	C52	C53	H52	125.6°	90.0°
C52	C51	C50	H511	125.2°	90.0°
C52	C51	C50	H512	125.3°	90.0°
C52	C51	H511	H512	116.4°	90.0°
C52	C51	C50	C49	5.0°	90.0°
C52	C51	C50	H50	174.9°	90.0°
C51	C52	C53	C54	172.3°	90.0°
C51	C52	C53	H531	47.0°	90.0°
C51	C52	C53	H532	62.5°	90.0°
C53	C52	C51	C50	156.2°	90.0°
C53	C52	C51	H511	31.0°	90.0°
C53	C52	C51	H512	78.5°	90.0°
C52	C53	C54	H531	125.3°	90.0°
C52	C53	C54	H532	125.3°	90.0°
C52	C53	H531	H532	117.6°	90.0°
C52	C53	C54	O14	167.6°	90.0°
C52	C53	C54	C55	71.4°	90.0°
C52	C53	C54	H54	48.4°	90.0°
H52	C52	C51	C50	79.0°	90.0°
H52	C52	C51	H511	155.7°	90.0°
H52	C52	C51	H512	46.3°	90.0°
H52	C52	C53	C54	46.7°	90.0°
H52	C52	C53	H531	78.6°	90.0°
H52	C52	C53	H532	171.9°	90.0°
C50	C51	H511	H512	116.4°	90.0°
C51	C50	C49	H50	179.9°	90.0°
C51	C50	C49	H49	139.1°	90.0°
H511	C51	C50	C49	130.3°	90.0°
H511	C51	C50	H50	49.6°	90.0°
H512	C51	C50	C49	120.3°	90.0°
H512	C51	C50	H50	59.8°	90.0°
H50	C50	C49	H49	41.0°	90.0°
C54	C53	H531	H532	117.6°	90.0°
C53	C54	O14	C55	123.8°	90.0°
C53	C54	O14	H54	116.1°	90.0°
C53	C54	C55	H54	116.2°	90.0°
C53	C54	O14	C77	84.4°	90.0°
C53	C54	C55	C73	79.7°	90.0°
C53	C54	C55	C56	158.8°	90.0°
C53	C54	C55	H55	38.9°	90.0°
H531	C53	C54	O14	67.1°	90.0°
H531	C53	C54	C55	53.9°	90.0°
H531	C53	C54	H54	173.7°	90.0°
H532	C53	C54	O14	42.3°	90.0°
H532	C53	C54	C55	163.3°	90.0°
H532	C53	C54	H54	76.9°	90.0°
O14	C54	C55	H54	119.6°	90.0°
C54	O14	C77	H771	180.0°	90.0°
C54	O14	C77	H772	54.8°	90.0°
C54	O14	C77	H773	54.8°	90.0°
O14	C54	C55	C73	44.5°	90.0°
O14	C54	C55	C56	76.9°	90.0°
O14	C54	C55	H55	163.1°	90.0°
C55	C54	O14	C77	151.8°	90.0°
C54	C55	C73	C56	120.0°	90.0°
C54	C55	C73	H55	120.1°	90.0°
C54	C55	C56	H55	120.1°	90.0°
C54	C55	C73	H731	180.0°	90.0°
C54	C55	C73	H732	54.7°	90.0°
C54	C55	C73	H733	54.7°	90.0°
C54	C55	C56	O15	53.7°	90.0°
C54	C55	C56	C57	176.3°	90.0°
C54	C55	C56	H56	66.5°	90.0°
H54	C54	O14	C77	31.7°	90.0°
H54	C54	C55	C73	164.1°	90.0°
H54	C54	C55	C56	42.6°	90.0°
H54	C54	C55	H55	77.3°	90.0°
O14	C77	H771	H772	125.3°	90.0°
O14	C77	H771	H773	125.3°	90.0°
O14	C77	H772	H773	118.2°	90.0°
H771	C77	H772	H773	118.1°	90.0°
C73	C55	C56	H55	118.6°	90.0°
C55	C73	H731	H732	125.3°	90.0°
C55	C73	H731	H733	125.3°	90.0°
C55	C73	H732	H733	117.7°	90.0°
C73	C55	C56	O15	174.9°	90.0°
C73	C55	C56	C57	62.5°	90.0°
C73	C55	C56	H56	54.8°	90.0°
C56	C55	C73	H731	60.0°	90.0°
C56	C55	C73	H732	174.6°	90.0°
C56	C55	C73	H733	65.3°	90.0°
C55	C56	O15	C57	123.3°	90.0°
C55	C56	O15	H56	119.3°	90.0°
C55	C56	C57	H56	119.2°	90.0°
C55	C56	O15	HO15	180.0°	90.0°
C55	C56	C57	C58	172.7°	90.0°
C55	C56	C57	H571	47.4°	90.0°
C55	C56	C57	H572	62.0°	90.0°
H55	C55	C73	H731	59.9°	90.0°
H55	C55	C73	H732	65.4°	90.0°
H55	C55	C73	H733	174.8°	90.0°
H55	C55	C56	O15	66.5°	90.0°
H55	C55	C56	C57	56.1°	90.0°
H55	C55	C56	H56	173.4°	90.0°
H731	C73	H732	H733	117.7°	90.0°
O15	C56	C57	H56	120.1°	90.0°
O15	C56	C57	C58	52.0°	90.0°
O15	C56	C57	H571	73.3°	90.0°
O15	C56	C57	H572	177.2°	90.0°
C57	C56	O15	HO15	56.7°	90.0°
C56	C57	C58	H571	125.2°	90.0°
C56	C57	C58	H572	125.2°	90.0°
C56	C57	H571	H572	116.0°	90.0°
C56	C57	C58	O16	174.8°	90.0°
C56	C57	C58	C59	51.0°	90.0°
C56	C57	C58	H58	60.9°	90.0°
H56	C56	O15	HO15	60.6°	90.0°
H56	C56	C57	C58	68.1°	90.0°
H56	C56	C57	H571	166.7°	90.0°
H56	C56	C57	H572	57.2°	90.0°
C58	C57	H571	H572	116.0°	90.0°
C57	C58	O16	C59	130.3°	90.0°
C57	C58	O16	H58	116.7°	90.0°
C57	C58	C59	H58	115.0°	90.0°
C57	C58	O16	HO16	180.0°	90.0°
C57	C58	C59	C74	61.1°	90.0°
C57	C58	C59	C60	173.9°	90.0°
C57	C58	C59	H59	55.6°	90.0°
H571	C57	C58	O16	59.9°	90.0°
H571	C57	C58	C59	176.2°	90.0°
H571	C57	C58	H58	64.3°	90.0°
H572	C57	C58	O16	49.6°	90.0°
H572	C57	C58	C59	74.3°	90.0°
H572	C57	C58	H58	173.9°	90.0°
O16	C58	C59	H58	123.8°	90.0°
O16	C58	C59	C74	60.1°	90.0°
O16	C58	C59	C60	64.8°	90.0°
O16	C58	C59	H59	176.9°	90.0°
C59	C58	O16	HO16	49.7°	90.0°
C58	C59	C74	C60	124.6°	90.0°
C58	C59	C74	H59	117.1°	90.0°
C58	C59	C60	H59	117.4°	90.0°
C58	C59	C74	H741	180.0°	90.0°
C58	C59	C74	H742	54.8°	90.0°
C58	C59	C74	H743	54.8°	90.0°
C58	C59	C60	O17	54.9°	90.0°
C58	C59	C60	C61	176.1°	90.0°
C58	C59	C60	H60	61.7°	90.0°
H58	C58	O16	HO16	63.3°	90.0°
H58	C58	C59	C74	176.1°	90.0°
H58	C58	C59	C60	59.0°	90.0°
H58	C58	C59	H59	59.4°	90.0°
C74	C59	C60	H59	116.9°	90.0°
C59	C74	H741	H742	125.3°	90.0°
C59	C74	H741	H743	125.2°	90.0°
C59	C74	H742	H743	117.0°	90.0°
C74	C59	C60	O17	179.3°	90.0°
C74	C59	C60	C61	50.4°	90.0°
C74	C59	C60	H60	64.1°	90.0°
C60	C59	C74	H741	55.4°	90.0°
C60	C59	C74	H742	69.9°	90.0°
C60	C59	C74	H743	179.4°	90.0°
C59	C60	O17	C61	128.6°	90.0°
C59	C60	O17	H60	117.1°	90.0°
C59	C60	C61	H60	116.6°	90.0°
C59	C60	C61	C75	68.1°	90.0°
C59	C60	C61	C62	159.8°	90.0°
C59	C60	C61	H61	46.1°	90.0°
H59	C59	C74	H741	62.9°	90.0°
H59	C59	C74	H742	171.9°	90.0°
H59	C59	C74	H743	62.4°	90.0°
H59	C59	C60	O17	62.4°	90.0°
H59	C59	C60	C61	66.5°	90.0°
H59	C59	C60	H60	179.0°	90.0°
H741	C74	H742	H743	116.9°	90.0°
O17	C60	C61	H60	116.1°	90.0°
O17	C60	C61	C75	59.2°	90.0°
O17	C60	C61	C62	72.9°	90.0°
O17	C60	C61	H61	173.4°	90.0°
C60	C61	C75	C62	131.4°	90.0°
C60	C61	C75	H61	115.4°	90.0°
C60	C61	C62	H61	115.3°	90.0°
C60	C61	C75	H751	180.0°	90.0°
C60	C61	C75	H752	54.8°	90.0°
C60	C61	C75	H753	54.7°	90.0°
C60	C61	C62	O18	31.1°	90.0°
C60	C61	C62	C63	166.3°	90.0°
C60	C61	C62	H62	91.3°	90.0°
H60	C60	C61	C75	175.3°	90.0°
H60	C60	C61	C62	43.2°	90.0°
H60	C60	C61	H61	70.5°	90.0°
C75	C61	C62	H61	113.7°	90.0°
C61	C75	H751	H752	125.3°	90.0°
C61	C75	H751	H753	125.3°	90.0°
C61	C75	H752	H753	117.0°	90.0°
C75	C61	C62	O18	162.2°	90.0°
C75	C61	C62	C63	62.6°	90.0°
C75	C61	C62	H62	39.7°	90.0°
C62	C61	C75	H751	48.6°	90.0°
C62	C61	C75	H752	173.9°	90.0°
C62	C61	C75	H753	76.6°	90.0°
C61	C62	O18	C63	145.0°	90.0°
C61	C62	O18	H62	102.0°	90.0°
C61	C62	C63	H62	95.5°	90.0°
C61	C62	O18	HO18	180.0°	90.0°
C61	C62	C63	C76	120.6°	90.0°
C61	C62	C63	C64	10.6°	90.0°
C61	C62	C63	H63	122.5°	90.0°
H61	C61	C75	H751	64.6°	90.0°
H61	C61	C75	H752	60.6°	90.0°
H61	C61	C75	H753	170.1°	90.0°
H61	C61	C62	O18	84.1°	90.0°
H61	C61	C62	C63	51.1°	90.0°
H61	C61	C62	H62	153.4°	90.0°
H751	C75	H752	H753	116.9°	90.0°
O18	C62	C63	H62	126.0°	90.0°
O18	C62	C63	C76	101.0°	90.0°
O18	C62	C63	C64	127.8°	90.0°
O18	C62	C63	H63	16.0°	90.0°
C63	C62	O18	HO18	35.0°	90.0°
C62	C63	C76	C64	133.7°	90.0°
C62	C63	C76	H63	113.2°	90.0°
C62	C63	C64	H63	111.9°	90.0°
C62	C63	C76	H761	179.9°	90.0°
C62	C63	C76	H762	54.8°	90.0°
C62	C63	C76	H763	54.7°	90.0°
C62	C63	C64	C65	175.6°	90.0°
C62	C63	C64	H641	50.3°	90.0°
C62	C63	C64	H642	59.1°	90.0°
H62	C62	O18	HO18	78.0°	90.0°
H62	C62	C63	C76	25.0°	90.0°
H62	C62	C63	C64	106.2°	90.0°
H62	C62	C63	H63	141.9°	90.0°
C76	C63	C64	H63	116.9°	90.0°
C63	C76	H761	H762	125.2°	90.0°
C63	C76	H761	H763	125.3°	90.0°
C63	C76	H762	H763	117.2°	90.0°
C76	C63	C64	C65	53.2°	90.0°
C76	C63	C64	H641	178.5°	90.0°
C76	C63	C64	H642	72.1°	90.0°
C64	C63	C76	H761	46.3°	90.0°
C64	C63	C76	H762	78.9°	90.0°
C64	C63	C76	H763	171.6°	90.0°
C63	C64	C65	H641	125.3°	90.0°
C63	C64	C65	H642	125.3°	90.0°
C63	C64	H641	H642	116.5°	90.0°
C63	C64	C65	C66	129.2°	90.0°
C63	C64	C65	H651	105.6°	90.0°
C63	C64	C65	H652	3.9°	90.0°
H63	C63	C76	H761	66.9°	90.0°
H63	C63	C76	H762	168.0°	90.0°
H63	C63	C76	H763	58.5°	90.0°
H63	C63	C64	C65	63.7°	90.0°
H63	C63	C64	H641	61.6°	90.0°
H63	C63	C64	H642	171.0°	90.0°
H761	C76	H762	H763	117.2°	90.0°
C65	C64	H641	H642	116.5°	90.0°
C64	C65	C66	H651	125.2°	90.0°
C64	C65	C66	H652	125.3°	90.0°
C64	C65	H651	H652	115.8°	90.0°
C64	C65	C66	O19	76.6°	90.0°
C64	C65	C66	C67	161.1°	90.0°
C64	C65	C66	H66	41.1°	90.0°
H641	C64	C65	C66	3.9°	90.0°
H641	C64	C65	H651	129.1°	90.0°
H641	C64	C65	H652	121.4°	90.0°
H642	C64	C65	C66	105.6°	90.0°
H642	C64	C65	H651	19.7°	90.0°
H642	C64	C65	H652	129.1°	90.0°
C66	C65	H651	H652	115.8°	90.0°
C65	C66	O19	C67	122.7°	90.0°
C65	C66	O19	H66	117.3°	90.0°
C65	C66	C67	H66	117.4°	90.0°
C65	C66	O19	C70	68.0°	90.0°
C65	C66	C67	C68	74.2°	90.0°
C65	C66	C67	H671	160.5°	90.0°
C65	C66	C67	H672	51.1°	90.0°
H651	C65	C66	O19	158.2°	90.0°
H651	C65	C66	C67	35.9°	90.0°
H651	C65	C66	H66	84.1°	90.0°
H652	C65	C66	O19	48.7°	90.0°
H652	C65	C66	C67	73.6°	90.0°
H652	C65	C66	H66	166.4°	90.0°
O19	C66	C67	H66	117.9°	90.0°
C66	O19	C70	C71	176.8°	90.0°
C66	O19	C70	C69	55.6°	90.0°
C66	O19	C70	H70	62.4°	90.0°
O19	C66	C67	C68	50.5°	90.0°
O19	C66	C67	H671	74.8°	90.0°
O19	C66	C67	H672	175.7°	90.0°
C67	C66	O19	C70	54.7°	90.0°
C66	C67	C68	C69	54.3°	90.0°
C66	C67	C68	H671	125.3°	90.0°
C66	C67	C68	H672	125.3°	90.0°
C66	C67	C68	O20	178.4°	90.0°
C66	C67	C68	H68	61.1°	90.0°
C66	C67	H671	H672	117.3°	90.0°
H66	C66	O19	C70	174.7°	90.0°
H66	C66	C67	C68	168.4°	90.0°
H66	C66	C67	H671	43.1°	90.0°
H66	C66	C67	H672	66.4°	90.0°
O19	C70	C71	C69	119.7°	90.0°
O19	C70	C71	H70	122.2°	90.0°
O19	C70	C69	H70	122.2°	90.0°
O19	C70	C71	H711	180.0°	90.0°
O19	C70	C71	H712	54.7°	90.0°
O19	C70	C71	H713	54.8°	90.0°
O19	C70	C69	C68	52.4°	90.0°
O19	C70	C69	H691	177.6°	90.0°
O19	C70	C69	H692	72.9°	90.0°
C71	C70	C69	H70	121.0°	90.0°
C70	C71	H711	H712	125.2°	90.0°
C70	C71	H711	H713	125.2°	90.0°
C70	C71	H712	H713	119.7°	90.0°
C71	C70	C69	C68	169.1°	90.0°
C71	C70	C69	H691	65.7°	90.0°
C71	C70	C69	H692	43.9°	90.0°
C69	C70	C71	H711	60.3°	90.0°
C69	C70	C71	H712	174.4°	90.0°
C69	C70	C71	H713	65.0°	90.0°
C70	C69	C68	H691	125.3°	90.0°
C70	C69	C68	H692	125.3°	90.0°
C70	C69	H691	H692	118.2°	90.0°
C70	C69	C68	C67	53.5°	90.0°
C70	C69	C68	O20	175.0°	90.0°
C70	C69	C68	H68	64.8°	90.0°
H70	C70	C71	H711	57.8°	90.0°
H70	C70	C71	H712	67.5°	90.0°
H70	C70	C71	H713	177.0°	90.0°
H70	C70	C69	C68	69.9°	90.0°
H70	C70	C69	H691	55.3°	90.0°
H70	C70	C69	H692	164.9°	90.0°
H711	C71	H712	H713	119.8°	90.0°
C68	C69	H691	H692	118.2°	90.0°
C69	C68	C67	O20	124.1°	90.0°
C69	C68	C67	H68	115.4°	90.0°
C69	C68	O20	H68	115.5°	90.0°
C69	C68	C67	H671	71.0°	90.0°
C69	C68	C67	H672	179.6°	90.0°
C69	C68	O20	C78	134.3°	90.0°
H691	C69	C68	C67	178.8°	90.0°
H691	C69	C68	O20	59.7°	90.0°
H691	C69	C68	H68	60.5°	90.0°
H692	C69	C68	C67	71.7°	90.0°
H692	C69	C68	O20	49.7°	90.0°
H692	C69	C68	H68	169.9°	90.0°
C67	C68	O20	H68	118.8°	90.0°
C68	C67	H671	H672	117.3°	90.0°
C67	C68	O20	C78	100.0°	90.0°
O20	C68	C67	H671	53.1°	90.0°
O20	C68	C67	H672	56.3°	90.0°
C68	O20	C78	H781	179.9°	90.0°
C68	O20	C78	H782	54.8°	90.0°
C68	O20	C78	H783	54.7°	90.0°
H68	C68	C67	H671	173.6°	90.0°
H68	C68	C67	H672	64.2°	90.0°
H68	C68	O20	C78	18.8°	90.0°
O20	C78	H781	H782	125.2°	90.0°
O20	C78	H781	H783	125.3°	90.0°
O20	C78	H782	H783	112.9°	90.0°
H781	C78	H782	H783	112.8°	90.0°

Definition date:	2005-03-23
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1YXQ