15P

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OXT	C1	sing	1.42Å	0.00Å
OXT	HXT	sing	0.97Å	0.00Å
C1	C2	sing	1.52Å	0.00Å
C1	H11	sing	1.09Å	0.00Å
C1	H21	sing	1.09Å	0.00Å
C2	O1	sing	1.42Å	0.00Å
C2	H12	sing	1.09Å	0.00Å
C2	H22	sing	1.09Å	0.00Å
O1	C3	sing	1.42Å	0.00Å
C3	C4	sing	1.52Å	0.00Å
C3	H13	sing	1.09Å	0.00Å
C3	H23	sing	1.09Å	0.00Å
C4	O2	sing	1.42Å	0.00Å
C4	H14	sing	1.09Å	0.00Å
C4	H24	sing	1.09Å	0.00Å
O2	C5	sing	1.42Å	0.00Å
C5	C6	sing	1.52Å	0.00Å
C5	H15	sing	1.09Å	0.00Å
C5	H25	sing	1.09Å	0.00Å
C6	O3	sing	1.42Å	0.00Å
C6	H16	sing	1.10Å	0.00Å
C6	H26	sing	1.09Å	0.00Å
O3	C7	sing	1.42Å	0.00Å
C7	C8	sing	1.52Å	0.00Å
C7	H17	sing	1.09Å	0.00Å
C7	H27	sing	1.09Å	0.00Å
C8	O4	sing	1.42Å	0.00Å
C8	H18	sing	1.09Å	0.00Å
C8	H28	sing	1.09Å	0.00Å
O4	C9	sing	1.42Å	0.00Å
C9	C10	sing	1.52Å	0.00Å
C9	H19	sing	1.09Å	0.00Å
C9	H29	sing	1.09Å	0.00Å
C10	O5	sing	1.42Å	0.00Å
C10	H101	sing	1.09Å	0.00Å
C10	H102	sing	1.09Å	0.00Å
O5	C11	sing	1.42Å	0.00Å
C11	C12	sing	1.52Å	0.00Å
C11	H111	sing	1.09Å	0.00Å
C11	H112	sing	1.09Å	0.00Å
C12	O6	sing	1.42Å	0.00Å
C12	H121	sing	1.09Å	0.00Å
C12	H122	sing	1.09Å	0.00Å
O6	C13	sing	1.42Å	0.00Å
C13	C14	sing	1.52Å	0.00Å
C13	H131	sing	1.09Å	0.00Å
C13	H132	sing	1.09Å	0.00Å
C14	O7	sing	1.42Å	0.00Å
C14	H141	sing	1.09Å	0.00Å
C14	H142	sing	1.09Å	0.00Å
O7	C15	sing	1.42Å	0.00Å
C15	C16	sing	1.52Å	0.00Å
C15	H151	sing	1.09Å	0.00Å
C15	H152	sing	1.09Å	0.00Å
C16	O8	sing	1.42Å	0.00Å
C16	H161	sing	1.09Å	0.00Å
C16	H162	sing	1.09Å	0.00Å
O8	C17	sing	1.42Å	0.00Å
C17	C18	sing	1.52Å	0.00Å
C17	H171	sing	1.09Å	0.00Å
C17	H172	sing	1.09Å	0.00Å
C18	O9	sing	1.42Å	0.00Å
C18	H181	sing	1.09Å	0.00Å
C18	H182	sing	1.09Å	0.00Å
O9	C19	sing	1.42Å	0.00Å
C19	C20	sing	1.52Å	0.00Å
C19	H191	sing	1.09Å	0.00Å
C19	H192	sing	1.09Å	0.00Å
C20	O10	sing	1.42Å	0.00Å
C20	H201	sing	1.09Å	0.00Å
C20	H202	sing	1.09Å	0.00Å
O10	C21	sing	1.42Å	0.00Å
C21	C22	sing	1.52Å	0.00Å
C21	H211	sing	1.09Å	0.00Å
C21	H212	sing	1.09Å	0.00Å
C22	O11	sing	1.42Å	0.00Å
C22	H221	sing	1.10Å	0.00Å
C22	H222	sing	1.09Å	0.00Å
O11	C23	sing	1.42Å	0.00Å
C23	C24	sing	1.52Å	0.00Å
C23	H231	sing	1.09Å	0.00Å
C23	H232	sing	1.09Å	0.00Å
C24	O12	sing	1.42Å	0.00Å
C24	H241	sing	1.09Å	0.00Å
C24	H242	sing	1.09Å	0.00Å
O12	C25	sing	1.42Å	0.00Å
C25	C26	sing	1.52Å	0.00Å
C25	H251	sing	1.09Å	0.00Å
C25	H252	sing	1.09Å	0.00Å
C26	O13	sing	1.42Å	0.00Å
C26	H261	sing	1.09Å	0.00Å
C26	H262	sing	1.09Å	0.00Å
O13	C27	sing	1.42Å	0.00Å
C27	C28	sing	1.52Å	0.00Å
C27	H271	sing	1.09Å	0.00Å
C27	H272	sing	1.09Å	0.00Å
C28	O14	sing	1.42Å	0.00Å
C28	H281	sing	1.09Å	0.00Å
C28	H282	sing	1.09Å	0.00Å
O14	C29	sing	1.42Å	0.00Å
C29	C30	sing	1.52Å	0.00Å
C29	H291	sing	1.09Å	0.00Å
C29	H292	sing	1.09Å	0.00Å
C30	O15	sing	1.42Å	0.00Å
C30	H301	sing	1.10Å	0.00Å
C30	H302	sing	1.09Å	0.00Å
O15	C31	sing	1.42Å	0.00Å
C31	C32	sing	1.52Å	0.00Å
C31	H311	sing	1.09Å	0.00Å
C31	H312	sing	1.09Å	0.00Å
C32	O16	sing	1.42Å	0.00Å
C32	H321	sing	1.09Å	0.00Å
C32	H322	sing	1.09Å	0.00Å
O16	C33	sing	1.42Å	0.00Å
C33	C34	sing	1.52Å	0.00Å
C33	H331	sing	1.09Å	0.00Å
C33	H332	sing	1.09Å	0.00Å
C34	O17	sing	1.42Å	0.00Å
C34	H341	sing	1.09Å	0.00Å
C34	H342	sing	1.09Å	0.00Å
O17	C35	sing	1.42Å	0.00Å
C35	C36	sing	1.52Å	0.00Å
C35	H351	sing	1.09Å	0.00Å
C35	H352	sing	1.09Å	0.00Å
C36	O18	sing	1.42Å	0.00Å
C36	H361	sing	1.09Å	0.00Å
C36	H362	sing	1.09Å	0.00Å
O18	C37	sing	1.42Å	0.00Å
C37	C38	sing	1.52Å	0.00Å
C37	H371	sing	1.09Å	0.00Å
C37	H372	sing	1.09Å	0.00Å
C38	O19	sing	1.42Å	0.00Å
C38	H381	sing	1.09Å	0.00Å
C38	H382	sing	1.09Å	0.00Å
O19	C39	sing	1.42Å	0.00Å
C39	C40	sing	1.52Å	0.00Å
C39	H391	sing	1.09Å	0.00Å
C39	H392	sing	1.09Å	0.00Å
C40	O20	sing	1.42Å	0.00Å
C40	H401	sing	1.09Å	0.00Å
C40	H402	sing	1.09Å	0.00Å
O20	C41	sing	1.42Å	0.00Å
C41	C42	sing	1.52Å	0.00Å
C41	H411	sing	1.09Å	0.00Å
C41	H412	sing	1.09Å	0.00Å
C42	O21	sing	1.42Å	0.00Å
C42	H421	sing	1.09Å	0.00Å
C42	H422	sing	1.09Å	0.00Å
O21	C43	sing	1.42Å	0.00Å
C43	C44	sing	1.52Å	0.00Å
C43	H431	sing	1.09Å	0.00Å
C43	H432	sing	1.09Å	0.00Å
C44	O22	sing	1.42Å	0.00Å
C44	H441	sing	1.09Å	0.00Å
C44	H442	sing	1.09Å	0.00Å
O22	C45	sing	1.42Å	0.00Å
C45	C46	sing	1.52Å	0.00Å
C45	H451	sing	1.09Å	0.00Å
C45	H452	sing	1.09Å	0.00Å
C46	O23	sing	1.42Å	0.00Å
C46	H461	sing	1.09Å	0.00Å
C46	H462	sing	1.09Å	0.00Å
O23	C47	sing	1.42Å	0.00Å
C47	C48	sing	1.52Å	0.00Å
C47	H471	sing	1.09Å	0.00Å
C47	H472	sing	1.09Å	0.00Å
C48	O24	sing	1.42Å	0.00Å
C48	H481	sing	1.09Å	0.00Å
C48	H482	sing	1.09Å	0.00Å
O24	C49	sing	1.42Å	0.00Å
C49	C50	sing	1.52Å	0.00Å
C49	H491	sing	1.09Å	0.00Å
C49	H492	sing	1.09Å	0.00Å
C50	O25	sing	1.42Å	0.00Å
C50	H501	sing	1.09Å	0.00Å
C50	H502	sing	1.09Å	0.00Å
O25	C51	sing	1.42Å	0.00Å
C51	C52	sing	1.52Å	0.00Å
C51	H511	sing	1.10Å	0.00Å
C51	H512	sing	1.09Å	0.00Å
C52	O26	sing	1.42Å	0.00Å
C52	H521	sing	1.09Å	0.00Å
C52	H522	sing	1.09Å	0.00Å
O26	C53	sing	1.42Å	0.00Å
C53	C54	sing	1.52Å	0.00Å
C53	H531	sing	1.09Å	0.00Å
C53	H532	sing	1.09Å	0.00Å
C54	O27	sing	1.42Å	0.00Å
C54	H541	sing	1.09Å	0.00Å
C54	H542	sing	1.09Å	0.00Å
O27	C55	sing	1.42Å	0.00Å
C55	C56	sing	1.52Å	0.00Å
C55	H551	sing	1.09Å	0.00Å
C55	H552	sing	1.09Å	0.00Å
C56	O28	sing	1.42Å	0.00Å
C56	H561	sing	1.09Å	0.00Å
C56	H562	sing	1.09Å	0.00Å
O28	C57	sing	1.42Å	0.00Å
C57	C58	sing	1.52Å	0.00Å
C57	H571	sing	1.09Å	0.00Å
C57	H572	sing	1.09Å	0.00Å
C58	O29	sing	1.42Å	0.00Å
C58	H581	sing	1.09Å	0.00Å
C58	H582	sing	1.09Å	0.00Å
O29	C59	sing	1.42Å	0.00Å
C59	C60	sing	1.52Å	0.00Å
C59	H591	sing	1.09Å	0.00Å
C59	H592	sing	1.09Å	0.00Å
C60	O30	sing	1.42Å	0.00Å
C60	H601	sing	1.09Å	0.00Å
C60	H602	sing	1.09Å	0.00Å
O30	C61	sing	1.42Å	0.00Å
C61	C62	sing	1.52Å	0.00Å
C61	H611	sing	1.10Å	0.00Å
C61	H612	sing	1.09Å	0.00Å
C62	O31	sing	1.42Å	0.00Å
C62	H621	sing	1.09Å	0.00Å
C62	H622	sing	1.09Å	0.00Å
O31	C63	sing	1.42Å	0.00Å
C63	C64	sing	1.52Å	0.00Å
C63	H631	sing	1.09Å	0.00Å
C63	H632	sing	1.09Å	0.00Å
C64	O32	sing	1.42Å	0.00Å
C64	H641	sing	1.09Å	0.00Å
C64	H642	sing	1.09Å	0.00Å
O32	C65	sing	1.42Å	0.00Å
C65	C66	sing	1.52Å	0.00Å
C65	H651	sing	1.09Å	0.00Å
C65	H652	sing	1.09Å	0.00Å
C66	O33	sing	1.42Å	0.00Å
C66	H661	sing	1.09Å	0.00Å
C66	H662	sing	1.09Å	0.00Å
O33	C67	sing	1.42Å	0.00Å
C67	C68	sing	1.52Å	0.00Å
C67	H671	sing	1.09Å	0.00Å
C67	H672	sing	1.09Å	0.00Å
C68	O34	sing	1.42Å	0.00Å
C68	H681	sing	1.09Å	0.00Å
C68	H682	sing	1.09Å	0.00Å
O34	CM	sing	1.42Å	0.00Å
CM	HCM1	sing	1.09Å	0.00Å
CM	HCM2	sing	1.09Å	0.00Å
CM	HCM3	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	OXT	HXT	90.0°	106.7°
OXT	C1	C2	90.0°	109.0°
OXT	C1	H11	90.0°	108.1°
OXT	C1	H21	90.0°	108.2°
C2	C1	H11	90.0°	111.1°
C2	C1	H21	90.0°	110.5°
C1	C2	O1	90.0°	109.1°
C1	C2	H12	90.0°	111.1°
C1	C2	H22	90.0°	110.5°
H11	C1	H21	90.0°	109.7°
O1	C2	H12	90.0°	108.1°
O1	C2	H22	90.0°	108.3°
C2	O1	C3	90.0°	111.5°
H12	C2	H22	90.0°	109.7°
O1	C3	C4	90.0°	109.1°
O1	C3	H13	90.0°	108.1°
O1	C3	H23	90.0°	108.3°
C4	C3	H13	90.0°	111.1°
C4	C3	H23	90.0°	110.5°
C3	C4	O2	90.0°	109.0°
C3	C4	H14	90.0°	111.1°
C3	C4	H24	90.0°	110.5°
H13	C3	H23	90.0°	109.7°
O2	C4	H14	90.0°	108.2°
O2	C4	H24	90.0°	108.3°
C4	O2	C5	90.0°	111.4°
H14	C4	H24	90.0°	109.7°
O2	C5	C6	90.0°	109.0°
O2	C5	H15	90.0°	108.1°
O2	C5	H25	90.0°	108.3°
C6	C5	H15	90.0°	111.1°
C6	C5	H25	90.0°	110.5°
C5	C6	O3	90.0°	109.1°
C5	C6	H16	90.0°	111.1°
C5	C6	H26	90.0°	110.5°
H15	C5	H25	90.0°	109.7°
O3	C6	H16	90.0°	108.1°
O3	C6	H26	90.0°	108.3°
C6	O3	C7	90.0°	111.5°
H16	C6	H26	90.0°	109.6°
O3	C7	C8	90.0°	109.0°
O3	C7	H17	90.0°	108.2°
O3	C7	H27	90.0°	108.3°
C8	C7	H17	90.0°	111.1°
C8	C7	H27	90.0°	110.4°
C7	C8	O4	90.0°	109.0°
C7	C8	H18	90.0°	111.1°
C7	C8	H28	90.0°	110.5°
H17	C7	H27	90.0°	109.7°
O4	C8	H18	90.0°	108.2°
O4	C8	H28	90.0°	108.3°
C8	O4	C9	90.0°	111.5°
H18	C8	H28	90.0°	109.7°
O4	C9	C10	90.0°	109.0°
O4	C9	H19	90.0°	108.2°
O4	C9	H29	90.0°	108.3°
C10	C9	H19	90.0°	111.1°
C10	C9	H29	90.0°	110.5°
C9	C10	O5	90.0°	109.1°
C9	C10	H101	90.0°	111.2°
C9	C10	H102	90.0°	110.5°
H19	C9	H29	90.0°	109.7°
O5	C10	H101	90.0°	108.1°
O5	C10	H102	90.0°	108.2°
C10	O5	C11	90.0°	111.5°
H101	C10	H102	90.0°	109.7°
O5	C11	C12	90.0°	109.1°
O5	C11	H111	90.0°	108.2°
O5	C11	H112	90.0°	108.3°
C12	C11	H111	90.0°	111.1°
C12	C11	H112	90.0°	110.5°
C11	C12	O6	90.0°	109.0°
C11	C12	H121	90.0°	111.1°
C11	C12	H122	90.0°	110.5°
H111	C11	H112	90.0°	109.7°
O6	C12	H121	90.0°	108.2°
O6	C12	H122	90.0°	108.2°
C12	O6	C13	90.0°	111.5°
H121	C12	H122	90.0°	109.7°
O6	C13	C14	90.0°	109.0°
O6	C13	H131	90.0°	108.1°
O6	C13	H132	90.0°	108.3°
C14	C13	H131	90.0°	111.2°
C14	C13	H132	90.0°	110.5°
C13	C14	O7	90.0°	109.1°
C13	C14	H141	90.0°	111.1°
C13	C14	H142	90.0°	110.5°
H131	C13	H132	90.0°	109.7°
O7	C14	H141	90.0°	108.2°
O7	C14	H142	90.0°	108.2°
C14	O7	C15	90.0°	111.5°
H141	C14	H142	90.0°	109.7°
O7	C15	C16	90.0°	109.0°
O7	C15	H151	90.0°	108.1°
O7	C15	H152	90.0°	108.2°
C16	C15	H151	90.0°	111.1°
C16	C15	H152	90.0°	110.5°
C15	C16	O8	90.0°	109.0°
C15	C16	H161	90.0°	111.1°
C15	C16	H162	90.0°	110.5°
H151	C15	H152	90.0°	109.7°
O8	C16	H161	90.0°	108.2°
O8	C16	H162	90.0°	108.3°
C16	O8	C17	90.0°	111.5°
H161	C16	H162	90.0°	109.7°
O8	C17	C18	90.0°	109.1°
O8	C17	H171	90.0°	108.1°
O8	C17	H172	90.0°	108.3°
C18	C17	H171	90.0°	111.1°
C18	C17	H172	90.0°	110.5°
C17	C18	O9	90.0°	109.0°
C17	C18	H181	90.0°	111.2°
C17	C18	H182	90.0°	110.5°
H171	C17	H172	90.0°	109.7°
O9	C18	H181	90.0°	108.1°
O9	C18	H182	90.0°	108.3°
C18	O9	C19	90.0°	111.5°
H181	C18	H182	90.0°	109.7°
O9	C19	C20	90.0°	109.1°
O9	C19	H191	90.0°	108.2°
O9	C19	H192	90.0°	108.3°
C20	C19	H191	90.0°	111.1°
C20	C19	H192	90.0°	110.5°
C19	C20	O10	90.0°	109.0°
C19	C20	H201	90.0°	111.1°
C19	C20	H202	90.0°	110.5°
H191	C19	H192	90.0°	109.7°
O10	C20	H201	90.0°	108.1°
O10	C20	H202	90.0°	108.3°
C20	O10	C21	90.0°	111.5°
H201	C20	H202	90.0°	109.7°
O10	C21	C22	90.0°	109.1°
O10	C21	H211	90.0°	108.1°
O10	C21	H212	90.0°	108.2°
C22	C21	H211	90.0°	111.2°
C22	C21	H212	90.0°	110.5°
C21	C22	O11	90.0°	109.1°
C21	C22	H221	90.0°	111.1°
C21	C22	H222	90.0°	110.5°
H211	C21	H212	90.0°	109.7°
O11	C22	H221	90.0°	108.1°
O11	C22	H222	90.0°	108.2°
C22	O11	C23	90.0°	111.5°
H221	C22	H222	90.0°	109.6°
O11	C23	C24	90.0°	109.1°
O11	C23	H231	90.0°	108.1°
O11	C23	H232	90.0°	108.2°
C24	C23	H231	90.0°	111.1°
C24	C23	H232	90.0°	110.5°
C23	C24	O12	90.0°	109.0°
C23	C24	H241	90.0°	111.1°
C23	C24	H242	90.0°	110.4°
H231	C23	H232	90.0°	109.7°
O12	C24	H241	90.0°	108.2°
O12	C24	H242	90.0°	108.2°
C24	O12	C25	90.0°	111.5°
H241	C24	H242	90.0°	109.7°
O12	C25	C26	90.0°	109.1°
O12	C25	H251	90.0°	108.1°
O12	C25	H252	90.0°	108.3°
C26	C25	H251	90.0°	111.1°
C26	C25	H252	90.0°	110.5°
C25	C26	O13	90.0°	109.0°
C25	C26	H261	90.0°	111.2°
C25	C26	H262	90.0°	110.5°
H251	C25	H252	90.0°	109.6°
O13	C26	H261	90.0°	108.1°
O13	C26	H262	90.0°	108.2°
C26	O13	C27	90.0°	111.5°
H261	C26	H262	90.0°	109.7°
O13	C27	C28	90.0°	109.1°
O13	C27	H271	90.0°	108.2°
O13	C27	H272	90.0°	108.2°
C28	C27	H271	90.0°	111.1°
C28	C27	H272	90.0°	110.5°
C27	C28	O14	90.0°	109.1°
C27	C28	H281	90.0°	111.2°
C27	C28	H282	90.0°	110.5°
H271	C27	H272	90.0°	109.7°
O14	C28	H281	90.0°	108.1°
O14	C28	H282	90.0°	108.2°
C28	O14	C29	90.0°	111.5°
H281	C28	H282	90.0°	109.7°
O14	C29	C30	90.0°	109.0°
O14	C29	H291	90.0°	108.2°
O14	C29	H292	90.0°	108.3°
C30	C29	H291	90.0°	111.1°
C30	C29	H292	90.0°	110.5°
C29	C30	O15	90.0°	109.0°
C29	C30	H301	90.0°	111.1°
C29	C30	H302	90.0°	110.5°
H291	C29	H292	90.0°	109.7°
O15	C30	H301	90.0°	108.2°
O15	C30	H302	90.0°	108.3°
C30	O15	C31	90.0°	111.5°
H301	C30	H302	90.0°	109.7°
O15	C31	C32	90.0°	109.0°
O15	C31	H311	90.0°	108.1°
O15	C31	H312	90.0°	108.3°
C32	C31	H311	90.0°	111.1°
C32	C31	H312	90.0°	110.5°
C31	C32	O16	90.0°	109.0°
C31	C32	H321	90.0°	111.1°
C31	C32	H322	90.0°	110.5°
H311	C31	H312	90.0°	109.7°
O16	C32	H321	90.0°	108.1°
O16	C32	H322	90.0°	108.3°
C32	O16	C33	90.0°	111.5°
H321	C32	H322	90.0°	109.7°
O16	C33	C34	90.0°	109.1°
O16	C33	H331	90.0°	108.2°
O16	C33	H332	90.0°	108.3°
C34	C33	H331	90.0°	111.1°
C34	C33	H332	90.0°	110.5°
C33	C34	O17	90.0°	109.0°
C33	C34	H341	90.0°	111.2°
C33	C34	H342	90.0°	110.5°
H331	C33	H332	90.0°	109.7°
O17	C34	H341	90.0°	108.1°
O17	C34	H342	90.0°	108.2°
C34	O17	C35	90.0°	111.5°
H341	C34	H342	90.0°	109.7°
O17	C35	C36	90.0°	109.0°
O17	C35	H351	90.0°	108.1°
O17	C35	H352	90.0°	108.3°
C36	C35	H351	90.0°	111.2°
C36	C35	H352	90.0°	110.5°
C35	C36	O18	90.0°	109.1°
C35	C36	H361	90.0°	111.1°
C35	C36	H362	90.0°	110.5°
H351	C35	H352	90.0°	109.7°
O18	C36	H361	90.0°	108.2°
O18	C36	H362	90.0°	108.3°
C36	O18	C37	90.0°	111.5°
H361	C36	H362	90.0°	109.7°
O18	C37	C38	90.0°	109.0°
O18	C37	H371	90.0°	108.2°
O18	C37	H372	90.0°	108.3°
C38	C37	H371	90.0°	111.1°
C38	C37	H372	90.0°	110.5°
C37	C38	O19	90.0°	109.1°
C37	C38	H381	90.0°	111.1°
C37	C38	H382	90.0°	110.5°
H371	C37	H372	90.0°	109.7°
O19	C38	H381	90.0°	108.1°
O19	C38	H382	90.0°	108.3°
C38	O19	C39	90.0°	111.5°
H381	C38	H382	90.0°	109.7°
O19	C39	C40	90.0°	109.0°
O19	C39	H391	90.0°	108.2°
O19	C39	H392	90.0°	108.3°
C40	C39	H391	90.0°	111.1°
C40	C39	H392	90.0°	110.5°
C39	C40	O20	90.0°	109.0°
C39	C40	H401	90.0°	111.1°
C39	C40	H402	90.0°	110.5°
H391	C39	H392	90.0°	109.7°
O20	C40	H401	90.0°	108.2°
O20	C40	H402	90.0°	108.3°
C40	O20	C41	90.0°	111.5°
H401	C40	H402	90.0°	109.7°
O20	C41	C42	90.0°	109.1°
O20	C41	H411	90.0°	108.2°
O20	C41	H412	90.0°	108.2°
C42	C41	H411	90.0°	111.1°
C42	C41	H412	90.0°	110.4°
C41	C42	O21	90.0°	109.1°
C41	C42	H421	90.0°	111.1°
C41	C42	H422	90.0°	110.5°
H411	C41	H412	90.0°	109.7°
O21	C42	H421	90.0°	108.1°
O21	C42	H422	90.0°	108.3°
C42	O21	C43	90.0°	111.5°
H421	C42	H422	90.0°	109.7°
O21	C43	C44	90.0°	109.0°
O21	C43	H431	90.0°	108.2°
O21	C43	H432	90.0°	108.2°
C44	C43	H431	90.0°	111.1°
C44	C43	H432	90.0°	110.5°
C43	C44	O22	90.0°	109.1°
C43	C44	H441	90.0°	111.1°
C43	C44	H442	90.0°	110.5°
H431	C43	H432	90.0°	109.8°
O22	C44	H441	90.0°	108.1°
O22	C44	H442	90.0°	108.3°
C44	O22	C45	90.0°	111.5°
H441	C44	H442	90.0°	109.7°
O22	C45	C46	90.0°	109.0°
O22	C45	H451	90.0°	108.2°
O22	C45	H452	90.0°	108.3°
C46	C45	H451	90.0°	111.1°
C46	C45	H452	90.0°	110.5°
C45	C46	O23	90.0°	109.0°
C45	C46	H461	90.0°	111.1°
C45	C46	H462	90.0°	110.4°
H451	C45	H452	90.0°	109.7°
O23	C46	H461	90.0°	108.2°
O23	C46	H462	90.0°	108.3°
C46	O23	C47	90.0°	111.5°
H461	C46	H462	90.0°	109.8°
O23	C47	C48	90.0°	109.0°
O23	C47	H471	90.0°	108.1°
O23	C47	H472	90.0°	108.3°
C48	C47	H471	90.0°	111.2°
C48	C47	H472	90.0°	110.5°
C47	C48	O24	90.0°	109.0°
C47	C48	H481	90.0°	111.1°
C47	C48	H482	90.0°	110.5°
H471	C47	H472	90.0°	109.6°
O24	C48	H481	90.0°	108.2°
O24	C48	H482	90.0°	108.3°
C48	O24	C49	90.0°	111.5°
H481	C48	H482	90.0°	109.7°
O24	C49	C50	90.0°	109.1°
O24	C49	H491	90.0°	108.1°
O24	C49	H492	90.0°	108.3°
C50	C49	H491	90.0°	111.1°
C50	C49	H492	90.0°	110.5°
C49	C50	O25	90.0°	109.1°
C49	C50	H501	90.0°	111.1°
C49	C50	H502	90.0°	110.4°
H491	C49	H492	90.0°	109.7°
O25	C50	H501	90.0°	108.1°
O25	C50	H502	90.0°	108.3°
C50	O25	C51	90.0°	111.5°
H501	C50	H502	90.0°	109.7°
O25	C51	C52	90.0°	109.1°
O25	C51	H511	90.0°	108.2°
O25	C51	H512	90.0°	108.2°
C52	C51	H511	90.0°	111.1°
C52	C51	H512	90.0°	110.5°
C51	C52	O26	90.0°	109.0°
C51	C52	H521	90.0°	111.1°
C51	C52	H522	90.0°	110.5°
H511	C51	H512	90.0°	109.7°
O26	C52	H521	90.0°	108.1°
O26	C52	H522	90.0°	108.2°
C52	O26	C53	90.0°	111.5°
H521	C52	H522	90.0°	109.7°
O26	C53	C54	90.0°	109.0°
O26	C53	H531	90.0°	108.1°
O26	C53	H532	90.0°	108.3°
C54	C53	H531	90.0°	111.1°
C54	C53	H532	90.0°	110.5°
C53	C54	O27	90.0°	109.0°
C53	C54	H541	90.0°	111.1°
C53	C54	H542	90.0°	110.5°
H531	C53	H532	90.0°	109.7°
O27	C54	H541	90.0°	108.2°
O27	C54	H542	90.0°	108.3°
C54	O27	C55	90.0°	111.5°
H541	C54	H542	90.0°	109.7°
O27	C55	C56	90.0°	109.1°
O27	C55	H551	90.0°	108.1°
O27	C55	H552	90.0°	108.2°
C56	C55	H551	90.0°	111.1°
C56	C55	H552	90.0°	110.5°
C55	C56	O28	90.0°	109.0°
C55	C56	H561	90.0°	111.1°
C55	C56	H562	90.0°	110.5°
H551	C55	H552	90.0°	109.7°
O28	C56	H561	90.0°	108.2°
O28	C56	H562	90.0°	108.3°
C56	O28	C57	90.0°	111.5°
H561	C56	H562	90.0°	109.7°
O28	C57	C58	90.0°	109.1°
O28	C57	H571	90.0°	108.2°
O28	C57	H572	90.0°	108.3°
C58	C57	H571	90.0°	111.1°
C58	C57	H572	90.0°	110.4°
C57	C58	O29	90.0°	109.0°
C57	C58	H581	90.0°	111.1°
C57	C58	H582	90.0°	110.5°
H571	C57	H572	90.0°	109.7°
O29	C58	H581	90.0°	108.2°
O29	C58	H582	90.0°	108.2°
C58	O29	C59	90.0°	111.5°
H581	C58	H582	90.0°	109.7°
O29	C59	C60	90.0°	109.0°
O29	C59	H591	90.0°	108.1°
O29	C59	H592	90.0°	108.3°
C60	C59	H591	90.0°	111.1°
C60	C59	H592	90.0°	110.5°
C59	C60	O30	90.0°	109.1°
C59	C60	H601	90.0°	111.1°
C59	C60	H602	90.0°	110.5°
H591	C59	H592	90.0°	109.8°
O30	C60	H601	90.0°	108.2°
O30	C60	H602	90.0°	108.3°
C60	O30	C61	90.0°	111.5°
H601	C60	H602	90.0°	109.7°
O30	C61	C62	90.0°	109.1°
O30	C61	H611	90.0°	108.1°
O30	C61	H612	90.0°	108.3°
C62	C61	H611	90.0°	111.1°
C62	C61	H612	90.0°	110.5°
C61	C62	O31	90.0°	109.0°
C61	C62	H621	90.0°	111.2°
C61	C62	H622	90.0°	110.5°
H611	C61	H612	90.0°	109.7°
O31	C62	H621	90.0°	108.1°
O31	C62	H622	90.0°	108.2°
C62	O31	C63	90.0°	111.5°
H621	C62	H622	90.0°	109.7°
O31	C63	C64	90.0°	109.1°
O31	C63	H631	90.0°	108.2°
O31	C63	H632	90.0°	108.2°
C64	C63	H631	90.0°	111.1°
C64	C63	H632	90.0°	110.4°
C63	C64	O32	90.0°	109.0°
C63	C64	H641	90.0°	111.1°
C63	C64	H642	90.0°	110.5°
H631	C63	H632	90.0°	109.7°
O32	C64	H641	90.0°	108.2°
O32	C64	H642	90.0°	108.3°
C64	O32	C65	90.0°	111.5°
H641	C64	H642	90.0°	109.7°
O32	C65	C66	90.0°	109.0°
O32	C65	H651	90.0°	108.2°
O32	C65	H652	90.0°	108.2°
C66	C65	H651	90.0°	111.1°
C66	C65	H652	90.0°	110.5°
C65	C66	O33	90.0°	109.1°
C65	C66	H661	90.0°	111.1°
C65	C66	H662	90.0°	110.5°
H651	C65	H652	90.0°	109.7°
O33	C66	H661	90.0°	108.1°
O33	C66	H662	90.0°	108.2°
C66	O33	C67	90.0°	111.5°
H661	C66	H662	90.0°	109.7°
O33	C67	C68	90.0°	109.1°
O33	C67	H671	90.0°	108.2°
O33	C67	H672	90.0°	108.3°
C68	C67	H671	90.0°	111.2°
C68	C67	H672	90.0°	110.5°
C67	C68	O34	90.0°	109.0°
C67	C68	H681	90.0°	111.2°
C67	C68	H682	90.0°	110.5°
H671	C67	H672	90.0°	109.6°
O34	C68	H681	90.0°	108.1°
O34	C68	H682	90.0°	108.2°
C68	O34	CM	90.0°	111.5°
H681	C68	H682	90.0°	109.7°
O34	CM	HCM1	90.0°	109.5°
O34	CM	HCM2	90.0°	109.5°
O34	CM	HCM3	90.0°	108.9°
HCM1	CM	HCM2	90.0°	110.1°
HCM1	CM	HCM3	90.0°	109.3°
HCM2	CM	HCM3	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OXT	C1	C2	H11	90.0°	119.1°
OXT	C1	C2	H21	90.0°	118.8°
OXT	C1	H11	H21	90.0°	117.9°
OXT	C1	C2	O1	90.0°	60.9°
OXT	C1	C2	H12	90.0°	179.9°
OXT	C1	C2	H22	90.0°	58.0°
HXT	OXT	C1	C2	90.0°	116.8°
HXT	OXT	C1	H11	90.0°	4.2°
HXT	OXT	C1	H21	90.0°	123.0°
C2	C1	H11	H21	90.0°	122.5°
C1	C2	O1	H12	90.0°	120.9°
C1	C2	O1	H22	90.0°	120.3°
C1	C2	H12	H22	90.0°	122.5°
C1	C2	O1	C3	90.0°	180.0°
H11	C1	C2	O1	90.0°	180.0°
H11	C1	C2	H12	90.0°	60.9°
H11	C1	C2	H22	90.0°	61.1°
H21	C1	C2	O1	90.0°	57.9°
H21	C1	C2	H12	90.0°	61.1°
H21	C1	C2	H22	90.0°	176.8°
O1	C2	H12	H22	90.0°	117.9°
C2	O1	C3	C4	90.0°	179.1°
C2	O1	C3	H13	90.0°	60.0°
C2	O1	C3	H23	90.0°	58.8°
H12	C2	O1	C3	90.0°	59.0°
H22	C2	O1	C3	90.0°	59.8°
O1	C3	C4	H13	90.0°	119.1°
O1	C3	C4	H23	90.0°	118.9°
O1	C3	H13	H23	90.0°	117.9°
O1	C3	C4	O2	90.0°	60.9°
O1	C3	C4	H14	90.0°	180.0°
O1	C3	C4	H24	90.0°	58.0°
C4	C3	H13	H23	90.0°	122.4°
C3	C4	O2	H14	90.0°	120.9°
C3	C4	O2	H24	90.0°	120.2°
C3	C4	H14	H24	90.0°	122.5°
C3	C4	O2	C5	90.0°	180.0°
H13	C3	C4	O2	90.0°	180.0°
H13	C3	C4	H14	90.0°	60.9°
H13	C3	C4	H24	90.0°	61.1°
H23	C3	C4	O2	90.0°	58.0°
H23	C3	C4	H14	90.0°	61.1°
H23	C3	C4	H24	90.0°	176.9°
O2	C4	H14	H24	90.0°	117.9°
C4	O2	C5	C6	90.0°	179.1°
C4	O2	C5	H15	90.0°	60.0°
C4	O2	C5	H25	90.0°	58.8°
H14	C4	O2	C5	90.0°	59.0°
H24	C4	O2	C5	90.0°	59.8°
O2	C5	C6	H15	90.0°	119.1°
O2	C5	C6	H25	90.0°	118.9°
O2	C5	H15	H25	90.0°	117.9°
O2	C5	C6	O3	90.0°	60.9°
O2	C5	C6	H16	90.0°	179.9°
O2	C5	C6	H26	90.0°	58.0°
C6	C5	H15	H25	90.0°	122.5°
C5	C6	O3	H16	90.0°	120.9°
C5	C6	O3	H26	90.0°	120.3°
C5	C6	H16	H26	90.0°	122.4°
C5	C6	O3	C7	90.0°	180.0°
H15	C5	C6	O3	90.0°	180.0°
H15	C5	C6	H16	90.0°	60.9°
H15	C5	C6	H26	90.0°	61.0°
H25	C5	C6	O3	90.0°	58.0°
H25	C5	C6	H16	90.0°	61.1°
H25	C5	C6	H26	90.0°	176.9°
O3	C6	H16	H26	90.0°	117.9°
C6	O3	C7	C8	90.0°	179.1°
C6	O3	C7	H17	90.0°	60.0°
C6	O3	C7	H27	90.0°	58.8°
H16	C6	O3	C7	90.0°	59.0°
H26	C6	O3	C7	90.0°	59.7°
O3	C7	C8	H17	90.0°	119.1°
O3	C7	C8	H27	90.0°	118.9°
O3	C7	H17	H27	90.0°	118.0°
O3	C7	C8	O4	90.0°	60.9°
O3	C7	C8	H18	90.0°	180.0°
O3	C7	C8	H28	90.0°	58.0°
C8	C7	H17	H27	90.0°	122.4°
C7	C8	O4	H18	90.0°	120.9°
C7	C8	O4	H28	90.0°	120.2°
C7	C8	H18	H28	90.0°	122.5°
C7	C8	O4	C9	90.0°	180.0°
H17	C7	C8	O4	90.0°	180.0°
H17	C7	C8	H18	90.0°	60.9°
H17	C7	C8	H28	90.0°	61.2°
H27	C7	C8	O4	90.0°	58.0°
H27	C7	C8	H18	90.0°	61.1°
H27	C7	C8	H28	90.0°	176.9°
O4	C8	H18	H28	90.0°	117.9°
C8	O4	C9	C10	90.0°	179.0°
C8	O4	C9	H19	90.0°	60.1°
C8	O4	C9	H29	90.0°	58.8°
H18	C8	O4	C9	90.0°	59.1°
H28	C8	O4	C9	90.0°	59.7°
O4	C9	C10	H19	90.0°	119.1°
O4	C9	C10	H29	90.0°	118.9°
O4	C9	H19	H29	90.0°	117.9°
O4	C9	C10	O5	90.0°	60.9°
O4	C9	C10	H101	90.0°	180.0°
O4	C9	C10	H102	90.0°	57.9°
C10	C9	H19	H29	90.0°	122.4°
C9	C10	O5	H101	90.0°	121.0°
C9	C10	O5	H102	90.0°	120.2°
C9	C10	H101	H102	90.0°	122.5°
C9	C10	O5	C11	90.0°	180.0°
H19	C9	C10	O5	90.0°	180.0°
H19	C9	C10	H101	90.0°	60.9°
H19	C9	C10	H102	90.0°	61.2°
H29	C9	C10	O5	90.0°	58.0°
H29	C9	C10	H101	90.0°	61.1°
H29	C9	C10	H102	90.0°	176.8°
O5	C10	H101	H102	90.0°	117.8°
C10	O5	C11	C12	90.0°	179.0°
C10	O5	C11	H111	90.0°	60.0°
C10	O5	C11	H112	90.0°	58.8°
H101	C10	O5	C11	90.0°	59.0°
H102	C10	O5	C11	90.0°	59.7°
O5	C11	C12	H111	90.0°	119.1°
O5	C11	C12	H112	90.0°	118.9°
O5	C11	H111	H112	90.0°	117.9°
O5	C11	C12	O6	90.0°	60.9°
O5	C11	C12	H121	90.0°	180.0°
O5	C11	C12	H122	90.0°	58.0°
C12	C11	H111	H112	90.0°	122.4°
C11	C12	O6	H121	90.0°	121.0°
C11	C12	O6	H122	90.0°	120.2°
C11	C12	H121	H122	90.0°	122.5°
C11	C12	O6	C13	90.0°	180.0°
H111	C11	C12	O6	90.0°	180.0°
H111	C11	C12	H121	90.0°	60.9°
H111	C11	C12	H122	90.0°	61.2°
H112	C11	C12	O6	90.0°	58.0°
H112	C11	C12	H121	90.0°	61.1°
H112	C11	C12	H122	90.0°	176.8°
O6	C12	H121	H122	90.0°	117.9°
C12	O6	C13	C14	90.0°	179.0°
C12	O6	C13	H131	90.0°	60.0°
C12	O6	C13	H132	90.0°	58.8°
H121	C12	O6	C13	90.0°	59.0°
H122	C12	O6	C13	90.0°	59.8°
O6	C13	C14	H131	90.0°	119.1°
O6	C13	C14	H132	90.0°	118.9°
O6	C13	H131	H132	90.0°	117.9°
O6	C13	C14	O7	90.0°	60.9°
O6	C13	C14	H141	90.0°	180.0°
O6	C13	C14	H142	90.0°	58.0°
C14	C13	H131	H132	90.0°	122.5°
C13	C14	O7	H141	90.0°	121.0°
C13	C14	O7	H142	90.0°	120.3°
C13	C14	H141	H142	90.0°	122.5°
C13	C14	O7	C15	90.0°	180.0°
H131	C13	C14	O7	90.0°	180.0°
H131	C13	C14	H141	90.0°	60.9°
H131	C13	C14	H142	90.0°	61.1°
H132	C13	C14	O7	90.0°	58.0°
H132	C13	C14	H141	90.0°	61.2°
H132	C13	C14	H142	90.0°	176.8°
O7	C14	H141	H142	90.0°	117.8°
C14	O7	C15	C16	90.0°	179.0°
C14	O7	C15	H151	90.0°	60.0°
C14	O7	C15	H152	90.0°	58.8°
H141	C14	O7	C15	90.0°	59.0°
H142	C14	O7	C15	90.0°	59.8°
O7	C15	C16	H151	90.0°	119.1°
O7	C15	C16	H152	90.0°	118.8°
O7	C15	H151	H152	90.0°	117.9°
O7	C15	C16	O8	90.0°	60.9°
O7	C15	C16	H161	90.0°	180.0°
O7	C15	C16	H162	90.0°	58.0°
C16	C15	H151	H152	90.0°	122.5°
C15	C16	O8	H161	90.0°	120.9°
C15	C16	O8	H162	90.0°	120.2°
C15	C16	H161	H162	90.0°	122.5°
C15	C16	O8	C17	90.0°	180.0°
H151	C15	C16	O8	90.0°	180.0°
H151	C15	C16	H161	90.0°	60.9°
H151	C15	C16	H162	90.0°	61.1°
H152	C15	C16	O8	90.0°	58.0°
H152	C15	C16	H161	90.0°	61.2°
H152	C15	C16	H162	90.0°	176.8°
O8	C16	H161	H162	90.0°	117.9°
C16	O8	C17	C18	90.0°	179.1°
C16	O8	C17	H171	90.0°	60.0°
C16	O8	C17	H172	90.0°	58.8°
H161	C16	O8	C17	90.0°	59.1°
H162	C16	O8	C17	90.0°	59.8°
O8	C17	C18	H171	90.0°	119.1°
O8	C17	C18	H172	90.0°	118.9°
O8	C17	H171	H172	90.0°	117.9°
O8	C17	C18	O9	90.0°	60.9°
O8	C17	C18	H181	90.0°	180.0°
O8	C17	C18	H182	90.0°	58.0°
C18	C17	H171	H172	90.0°	122.5°
C17	C18	O9	H181	90.0°	121.0°
C17	C18	O9	H182	90.0°	120.2°
C17	C18	H181	H182	90.0°	122.5°
C17	C18	O9	C19	90.0°	180.0°
H171	C17	C18	O9	90.0°	180.0°
H171	C17	C18	H181	90.0°	60.9°
H171	C17	C18	H182	90.0°	61.1°
H172	C17	C18	O9	90.0°	58.0°
H172	C17	C18	H181	90.0°	61.1°
H172	C17	C18	H182	90.0°	176.9°
O9	C18	H181	H182	90.0°	117.9°
C18	O9	C19	C20	90.0°	179.1°
C18	O9	C19	H191	90.0°	60.0°
C18	O9	C19	H192	90.0°	58.8°
H181	C18	O9	C19	90.0°	59.0°
H182	C18	O9	C19	90.0°	59.8°
O9	C19	C20	H191	90.0°	119.1°
O9	C19	C20	H192	90.0°	118.9°
O9	C19	H191	H192	90.0°	117.9°
O9	C19	C20	O10	90.0°	60.9°
O9	C19	C20	H201	90.0°	180.0°
O9	C19	C20	H202	90.0°	58.0°
C20	C19	H191	H192	90.0°	122.4°
C19	C20	O10	H201	90.0°	120.9°
C19	C20	O10	H202	90.0°	120.2°
C19	C20	H201	H202	90.0°	122.5°
C19	C20	O10	C21	90.0°	180.0°
H191	C19	C20	O10	90.0°	180.0°
H191	C19	C20	H201	90.0°	60.9°
H191	C19	C20	H202	90.0°	61.2°
H192	C19	C20	O10	90.0°	58.0°
H192	C19	C20	H201	90.0°	61.1°
H192	C19	C20	H202	90.0°	176.9°
O10	C20	H201	H202	90.0°	117.9°
C20	O10	C21	C22	90.0°	179.0°
C20	O10	C21	H211	90.0°	59.9°
C20	O10	C21	H212	90.0°	58.8°
H201	C20	O10	C21	90.0°	59.1°
H202	C20	O10	C21	90.0°	59.8°
O10	C21	C22	H211	90.0°	119.1°
O10	C21	C22	H212	90.0°	118.8°
O10	C21	H211	H212	90.0°	117.8°
O10	C21	C22	O11	90.0°	60.9°
O10	C21	C22	H221	90.0°	180.0°
O10	C21	C22	H222	90.0°	58.0°
C22	C21	H211	H212	90.0°	122.5°
C21	C22	O11	H221	90.0°	121.0°
C21	C22	O11	H222	90.0°	120.3°
C21	C22	H221	H222	90.0°	122.5°
C21	C22	O11	C23	90.0°	180.0°
H211	C21	C22	O11	90.0°	180.0°
H211	C21	C22	H221	90.0°	60.8°
H211	C21	C22	H222	90.0°	61.1°
H212	C21	C22	O11	90.0°	58.0°
H212	C21	C22	H221	90.0°	61.2°
H212	C21	C22	H222	90.0°	176.8°
O11	C22	H221	H222	90.0°	117.8°
C22	O11	C23	C24	90.0°	179.0°
C22	O11	C23	H231	90.0°	60.0°
C22	O11	C23	H232	90.0°	58.8°
H221	C22	O11	C23	90.0°	59.0°
H222	C22	O11	C23	90.0°	59.7°
O11	C23	C24	H231	90.0°	119.1°
O11	C23	C24	H232	90.0°	118.8°
O11	C23	H231	H232	90.0°	117.8°
O11	C23	C24	O12	90.0°	60.8°
O11	C23	C24	H241	90.0°	180.0°
O11	C23	C24	H242	90.0°	57.9°
C24	C23	H231	H232	90.0°	122.5°
C23	C24	O12	H241	90.0°	121.0°
C23	C24	O12	H242	90.0°	120.2°
C23	C24	H241	H242	90.0°	122.4°
C23	C24	O12	C25	90.0°	180.0°
H231	C23	C24	O12	90.0°	180.0°
H231	C23	C24	H241	90.0°	60.8°
H231	C23	C24	H242	90.0°	61.2°
H232	C23	C24	O12	90.0°	58.0°
H232	C23	C24	H241	90.0°	61.2°
H232	C23	C24	H242	90.0°	176.8°
O12	C24	H241	H242	90.0°	117.9°
C24	O12	C25	C26	90.0°	179.0°
C24	O12	C25	H251	90.0°	60.0°
C24	O12	C25	H252	90.0°	58.7°
H241	C24	O12	C25	90.0°	59.0°
H242	C24	O12	C25	90.0°	59.9°
O12	C25	C26	H251	90.0°	119.1°
O12	C25	C26	H252	90.0°	118.9°
O12	C25	H251	H252	90.0°	117.9°
O12	C25	C26	O13	90.0°	60.9°
O12	C25	C26	H261	90.0°	180.0°
O12	C25	C26	H262	90.0°	57.9°
C26	C25	H251	H252	90.0°	122.4°
C25	C26	O13	H261	90.0°	121.0°
C25	C26	O13	H262	90.0°	120.2°
C25	C26	H261	H262	90.0°	122.5°
C25	C26	O13	C27	90.0°	180.0°
H251	C25	C26	O13	90.0°	180.0°
H251	C25	C26	H261	90.0°	60.9°
H251	C25	C26	H262	90.0°	61.2°
H252	C25	C26	O13	90.0°	58.0°
H252	C25	C26	H261	90.0°	61.1°
H252	C25	C26	H262	90.0°	176.8°
O13	C26	H261	H262	90.0°	117.8°
C26	O13	C27	C28	90.0°	179.0°
C26	O13	C27	H271	90.0°	60.0°
C26	O13	C27	H272	90.0°	58.8°
H261	C26	O13	C27	90.0°	59.1°
H262	C26	O13	C27	90.0°	59.7°
O13	C27	C28	H271	90.0°	119.2°
O13	C27	C28	H272	90.0°	118.8°
O13	C27	H271	H272	90.0°	117.9°
O13	C27	C28	O14	90.0°	60.8°
O13	C27	C28	H281	90.0°	179.9°
O13	C27	C28	H282	90.0°	58.0°
C28	C27	H271	H272	90.0°	122.4°
C27	C28	O14	H281	90.0°	121.0°
C27	C28	O14	H282	90.0°	120.3°
C27	C28	H281	H282	90.0°	122.5°
C27	C28	O14	C29	90.0°	180.0°
H271	C27	C28	O14	90.0°	180.0°
H271	C27	C28	H281	90.0°	60.9°
H271	C27	C28	H282	90.0°	61.2°
H272	C27	C28	O14	90.0°	58.0°
H272	C27	C28	H281	90.0°	61.1°
H272	C27	C28	H282	90.0°	176.9°
O14	C28	H281	H282	90.0°	117.8°
C28	O14	C29	C30	90.0°	179.0°
C28	O14	C29	H291	90.0°	60.0°
C28	O14	C29	H292	90.0°	58.8°
H281	C28	O14	C29	90.0°	59.0°
H282	C28	O14	C29	90.0°	59.7°
O14	C29	C30	H291	90.0°	119.1°
O14	C29	C30	H292	90.0°	118.9°
O14	C29	H291	H292	90.0°	117.9°
O14	C29	C30	O15	90.0°	60.9°
O14	C29	C30	H301	90.0°	180.0°
O14	C29	C30	H302	90.0°	58.0°
C30	C29	H291	H292	90.0°	122.4°
C29	C30	O15	H301	90.0°	121.0°
C29	C30	O15	H302	90.0°	120.3°
C29	C30	H301	H302	90.0°	122.4°
C29	C30	O15	C31	90.0°	180.0°
H291	C29	C30	O15	90.0°	180.0°
H291	C29	C30	H301	90.0°	60.8°
H291	C29	C30	H302	90.0°	61.1°
H292	C29	C30	O15	90.0°	58.0°
H292	C29	C30	H301	90.0°	61.2°
H292	C29	C30	H302	90.0°	176.9°
O15	C30	H301	H302	90.0°	117.9°
C30	O15	C31	C32	90.0°	179.1°
C30	O15	C31	H311	90.0°	60.0°
C30	O15	C31	H312	90.0°	58.8°
H301	C30	O15	C31	90.0°	59.0°
H302	C30	O15	C31	90.0°	59.8°
O15	C31	C32	H311	90.0°	119.1°
O15	C31	C32	H312	90.0°	118.9°
O15	C31	H311	H312	90.0°	117.9°
O15	C31	C32	O16	90.0°	60.9°
O15	C31	C32	H321	90.0°	180.0°
O15	C31	C32	H322	90.0°	58.0°
C32	C31	H311	H312	90.0°	122.5°
C31	C32	O16	H321	90.0°	120.9°
C31	C32	O16	H322	90.0°	120.2°
C31	C32	H321	H322	90.0°	122.5°
C31	C32	O16	C33	90.0°	180.0°
H311	C31	C32	O16	90.0°	180.0°
H311	C31	C32	H321	90.0°	60.9°
H311	C31	C32	H322	90.0°	61.1°
H312	C31	C32	O16	90.0°	58.0°
H312	C31	C32	H321	90.0°	61.1°
H312	C31	C32	H322	90.0°	176.9°
O16	C32	H321	H322	90.0°	118.0°
C32	O16	C33	C34	90.0°	179.1°
C32	O16	C33	H331	90.0°	60.0°
C32	O16	C33	H332	90.0°	58.8°
H321	C32	O16	C33	90.0°	59.1°
H322	C32	O16	C33	90.0°	59.8°
O16	C33	C34	H331	90.0°	119.1°
O16	C33	C34	H332	90.0°	118.9°
O16	C33	H331	H332	90.0°	117.9°
O16	C33	C34	O17	90.0°	60.9°
O16	C33	C34	H341	90.0°	180.0°
O16	C33	C34	H342	90.0°	57.9°
C34	C33	H331	H332	90.0°	122.5°
C33	C34	O17	H341	90.0°	121.0°
C33	C34	O17	H342	90.0°	120.2°
C33	C34	H341	H342	90.0°	122.5°
C33	C34	O17	C35	90.0°	180.0°
H331	C33	C34	O17	90.0°	180.0°
H331	C33	C34	H341	90.0°	60.9°
H331	C33	C34	H342	90.0°	61.2°
H332	C33	C34	O17	90.0°	58.0°
H332	C33	C34	H341	90.0°	61.1°
H332	C33	C34	H342	90.0°	176.8°
O17	C34	H341	H342	90.0°	117.8°
C34	O17	C35	C36	90.0°	180.0°
C34	O17	C35	H351	90.0°	59.1°
C34	O17	C35	H352	90.0°	59.7°
H341	C34	O17	C35	90.0°	59.0°
H342	C34	O17	C35	90.0°	59.8°
O17	C35	C36	H351	90.0°	119.1°
O17	C35	C36	H352	90.0°	118.9°
O17	C35	H351	H352	90.0°	117.9°
O17	C35	C36	O18	90.0°	60.9°
O17	C35	C36	H361	90.0°	180.0°
O17	C35	C36	H362	90.0°	58.0°
C36	C35	H351	H352	90.0°	122.5°
C35	C36	O18	H361	90.0°	121.0°
C35	C36	O18	H362	90.0°	120.2°
C35	C36	H361	H362	90.0°	122.4°
C35	C36	O18	C37	90.0°	179.0°
H351	C35	C36	O18	90.0°	180.0°
H351	C35	C36	H361	90.0°	60.9°
H351	C35	C36	H362	90.0°	61.1°
H352	C35	C36	O18	90.0°	58.0°
H352	C35	C36	H361	90.0°	61.1°
H352	C35	C36	H362	90.0°	176.9°
O18	C36	H361	H362	90.0°	117.9°
C36	O18	C37	C38	90.0°	180.0°
C36	O18	C37	H371	90.0°	59.1°
C36	O18	C37	H372	90.0°	59.8°
H361	C36	O18	C37	90.0°	60.0°
H362	C36	O18	C37	90.0°	58.8°
O18	C37	C38	H371	90.0°	119.1°
O18	C37	C38	H372	90.0°	118.9°
O18	C37	H371	H372	90.0°	117.9°
O18	C37	C38	O19	90.0°	60.9°
O18	C37	C38	H381	90.0°	180.0°
O18	C37	C38	H382	90.0°	58.0°
C38	C37	H371	H372	90.0°	122.4°
C37	C38	O19	H381	90.0°	121.0°
C37	C38	O19	H382	90.0°	120.3°
C37	C38	H381	H382	90.0°	122.5°
C37	C38	O19	C39	90.0°	179.1°
H371	C37	C38	O19	90.0°	180.0°
H371	C37	C38	H381	90.0°	60.9°
H371	C37	C38	H382	90.0°	61.1°
H372	C37	C38	O19	90.0°	58.0°
H372	C37	C38	H381	90.0°	61.1°
H372	C37	C38	H382	90.0°	176.9°
O19	C38	H381	H382	90.0°	117.9°
C38	O19	C39	C40	90.0°	180.0°
C38	O19	C39	H391	90.0°	59.1°
C38	O19	C39	H392	90.0°	59.8°
H381	C38	O19	C39	90.0°	60.0°
H382	C38	O19	C39	90.0°	58.8°
O19	C39	C40	H391	90.0°	119.1°
O19	C39	C40	H392	90.0°	118.9°
O19	C39	H391	H392	90.0°	117.9°
O19	C39	C40	O20	90.0°	60.9°
O19	C39	C40	H401	90.0°	180.0°
O19	C39	C40	H402	90.0°	58.0°
C40	C39	H391	H392	90.0°	122.5°
C39	C40	O20	H401	90.0°	120.9°
C39	C40	O20	H402	90.0°	120.3°
C39	C40	H401	H402	90.0°	122.4°
C39	C40	O20	C41	90.0°	179.0°
H391	C39	C40	O20	90.0°	180.0°
H391	C39	C40	H401	90.0°	60.9°
H391	C39	C40	H402	90.0°	61.1°
H392	C39	C40	O20	90.0°	58.0°
H392	C39	C40	H401	90.0°	61.2°
H392	C39	C40	H402	90.0°	176.9°
O20	C40	H401	H402	90.0°	117.9°
C40	O20	C41	C42	90.0°	180.0°
C40	O20	C41	H411	90.0°	59.0°
C40	O20	C41	H412	90.0°	59.8°
H401	C40	O20	C41	90.0°	60.0°
H402	C40	O20	C41	90.0°	58.8°
O20	C41	C42	H411	90.0°	119.2°
O20	C41	C42	H412	90.0°	118.8°
O20	C41	H411	H412	90.0°	117.9°
O20	C41	C42	O21	90.0°	60.8°
O20	C41	C42	H421	90.0°	180.0°
O20	C41	C42	H422	90.0°	58.0°
C42	C41	H411	H412	90.0°	122.4°
C41	C42	O21	H421	90.0°	121.0°
C41	C42	O21	H422	90.0°	120.2°
C41	C42	H421	H422	90.0°	122.4°
C41	C42	O21	C43	90.0°	179.0°
H411	C41	C42	O21	90.0°	180.0°
H411	C41	C42	H421	90.0°	60.8°
H411	C41	C42	H422	90.0°	61.2°
H412	C41	C42	O21	90.0°	58.0°
H412	C41	C42	H421	90.0°	61.2°
H412	C41	C42	H422	90.0°	176.8°
O21	C42	H421	H422	90.0°	117.9°
C42	O21	C43	C44	90.0°	180.0°
C42	O21	C43	H431	90.0°	59.1°
C42	O21	C43	H432	90.0°	59.8°
H421	C42	O21	C43	90.0°	60.0°
H422	C42	O21	C43	90.0°	58.8°
O21	C43	C44	H431	90.0°	119.1°
O21	C43	C44	H432	90.0°	118.8°
O21	C43	H431	H432	90.0°	117.9°
O21	C43	C44	O22	90.0°	60.9°
O21	C43	C44	H441	90.0°	179.9°
O21	C43	C44	H442	90.0°	58.0°
C44	C43	H431	H432	90.0°	122.5°
C43	C44	O22	H441	90.0°	120.9°
C43	C44	O22	H442	90.0°	120.3°
C43	C44	H441	H442	90.0°	122.5°
C43	C44	O22	C45	90.0°	179.1°
H431	C43	C44	O22	90.0°	180.0°
H431	C43	C44	H441	90.0°	61.0°
H431	C43	C44	H442	90.0°	61.1°
H432	C43	C44	O22	90.0°	57.9°
H432	C43	C44	H441	90.0°	61.1°
H432	C43	C44	H442	90.0°	176.8°
O22	C44	H441	H442	90.0°	117.9°
C44	O22	C45	C46	90.0°	179.9°
C44	O22	C45	H451	90.0°	59.0°
C44	O22	C45	H452	90.0°	59.8°
H441	C44	O22	C45	90.0°	60.1°
H442	C44	O22	C45	90.0°	58.7°
O22	C45	C46	H451	90.0°	119.2°
O22	C45	C46	H452	90.0°	118.9°
O22	C45	H451	H452	90.0°	117.9°
O22	C45	C46	O23	90.0°	60.9°
O22	C45	C46	H461	90.0°	179.9°
O22	C45	C46	H462	90.0°	58.0°
C46	C45	H451	H452	90.0°	122.4°
C45	C46	O23	H461	90.0°	120.9°
C45	C46	O23	H462	90.0°	120.2°
C45	C46	H461	H462	90.0°	122.5°
C45	C46	O23	C47	90.0°	179.1°
H451	C45	C46	O23	90.0°	180.0°
H451	C45	C46	H461	90.0°	60.9°
H451	C45	C46	H462	90.0°	61.2°
H452	C45	C46	O23	90.0°	58.0°
H452	C45	C46	H461	90.0°	61.1°
H452	C45	C46	H462	90.0°	176.9°
O23	C46	H461	H462	90.0°	118.0°
C46	O23	C47	C48	90.0°	180.0°
C46	O23	C47	H471	90.0°	59.0°
C46	O23	C47	H472	90.0°	59.7°
H461	C46	O23	C47	90.0°	60.1°
H462	C46	O23	C47	90.0°	58.9°
O23	C47	C48	H471	90.0°	119.1°
O23	C47	C48	H472	90.0°	118.9°
O23	C47	H471	H472	90.0°	117.8°
O23	C47	C48	O24	90.0°	60.9°
O23	C47	C48	H481	90.0°	180.0°
O23	C47	C48	H482	90.0°	58.0°
C48	C47	H471	H472	90.0°	122.5°
C47	C48	O24	H481	90.0°	120.9°
C47	C48	O24	H482	90.0°	120.2°
C47	C48	H481	H482	90.0°	122.4°
C47	C48	O24	C49	90.0°	179.1°
H471	C47	C48	O24	90.0°	180.0°
H471	C47	C48	H481	90.0°	60.9°
H471	C47	C48	H482	90.0°	61.1°
H472	C47	C48	O24	90.0°	58.0°
H472	C47	C48	H481	90.0°	61.1°
H472	C47	C48	H482	90.0°	176.9°
O24	C48	H481	H482	90.0°	117.9°
C48	O24	C49	C50	90.0°	180.0°
C48	O24	C49	H491	90.0°	59.0°
C48	O24	C49	H492	90.0°	59.7°
H481	C48	O24	C49	90.0°	60.0°
H482	C48	O24	C49	90.0°	58.8°
O24	C49	C50	H491	90.0°	119.1°
O24	C49	C50	H492	90.0°	118.9°
O24	C49	H491	H492	90.0°	117.9°
O24	C49	C50	O25	90.0°	60.9°
O24	C49	C50	H501	90.0°	180.0°
O24	C49	C50	H502	90.0°	58.0°
C50	C49	H491	H492	90.0°	122.5°
C49	C50	O25	H501	90.0°	121.0°
C49	C50	O25	H502	90.0°	120.2°
C49	C50	H501	H502	90.0°	122.4°
C49	C50	O25	C51	90.0°	179.0°
H491	C49	C50	O25	90.0°	180.0°
H491	C49	C50	H501	90.0°	60.9°
H491	C49	C50	H502	90.0°	61.2°
H492	C49	C50	O25	90.0°	58.0°
H492	C49	C50	H501	90.0°	61.1°
H492	C49	C50	H502	90.0°	176.8°
O25	C50	H501	H502	90.0°	117.9°
C50	O25	C51	C52	90.0°	180.0°
C50	O25	C51	H511	90.0°	59.0°
C50	O25	C51	H512	90.0°	59.8°
H501	C50	O25	C51	90.0°	60.0°
H502	C50	O25	C51	90.0°	58.8°
O25	C51	C52	H511	90.0°	119.1°
O25	C51	C52	H512	90.0°	118.9°
O25	C51	H511	H512	90.0°	117.8°
O25	C51	C52	O26	90.0°	59.1°
O25	C51	C52	H521	90.0°	60.0°
O25	C51	C52	H522	90.0°	178.0°
C52	C51	H511	H512	90.0°	122.5°
C51	C52	O26	H521	90.0°	121.0°
C51	C52	O26	H522	90.0°	120.2°
C51	C52	H521	H522	90.0°	122.5°
C51	C52	O26	C53	90.0°	179.0°
H511	C51	C52	O26	90.0°	60.0°
H511	C51	C52	H521	90.0°	179.1°
H511	C51	C52	H522	90.0°	58.8°
H512	C51	C52	O26	90.0°	178.0°
H512	C51	C52	H521	90.0°	58.9°
H512	C51	C52	H522	90.0°	63.2°
O26	C52	H521	H522	90.0°	117.9°
C52	O26	C53	C54	90.0°	180.0°
C52	O26	C53	H531	90.0°	59.1°
C52	O26	C53	H532	90.0°	59.7°
H521	C52	O26	C53	90.0°	60.0°
H522	C52	O26	C53	90.0°	58.8°
O26	C53	C54	H531	90.0°	119.1°
O26	C53	C54	H532	90.0°	118.9°
O26	C53	H531	H532	90.0°	117.9°
O26	C53	C54	O27	90.0°	60.9°
O26	C53	C54	H541	90.0°	180.0°
O26	C53	C54	H542	90.0°	58.0°
C54	C53	H531	H532	90.0°	122.5°
C53	C54	O27	H541	90.0°	120.9°
C53	C54	O27	H542	90.0°	120.2°
C53	C54	H541	H542	90.0°	122.4°
C53	C54	O27	C55	90.0°	179.1°
H531	C53	C54	O27	90.0°	180.0°
H531	C53	C54	H541	90.0°	60.9°
H531	C53	C54	H542	90.0°	61.1°
H532	C53	C54	O27	90.0°	58.0°
H532	C53	C54	H541	90.0°	61.1°
H532	C53	C54	H542	90.0°	176.9°
O27	C54	H541	H542	90.0°	117.9°
C54	O27	C55	C56	90.0°	180.0°
C54	O27	C55	H551	90.0°	59.0°
C54	O27	C55	H552	90.0°	59.7°
H541	C54	O27	C55	90.0°	60.0°
H542	C54	O27	C55	90.0°	58.8°
O27	C55	C56	H551	90.0°	119.1°
O27	C55	C56	H552	90.0°	118.9°
O27	C55	H551	H552	90.0°	117.8°
O27	C55	C56	O28	90.0°	60.9°
O27	C55	C56	H561	90.0°	180.0°
O27	C55	C56	H562	90.0°	58.0°
C56	C55	H551	H552	90.0°	122.5°
C55	C56	O28	H561	90.0°	120.9°
C55	C56	O28	H562	90.0°	120.2°
C55	C56	H561	H562	90.0°	122.4°
C55	C56	O28	C57	90.0°	179.0°
H551	C55	C56	O28	90.0°	180.0°
H551	C55	C56	H561	90.0°	60.8°
H551	C55	C56	H562	90.0°	61.1°
H552	C55	C56	O28	90.0°	58.0°
H552	C55	C56	H561	90.0°	61.2°
H552	C55	C56	H562	90.0°	176.9°
O28	C56	H561	H562	90.0°	117.9°
C56	O28	C57	C58	90.0°	180.0°
C56	O28	C57	H571	90.0°	59.1°
C56	O28	C57	H572	90.0°	59.8°
H561	C56	O28	C57	90.0°	60.0°
H562	C56	O28	C57	90.0°	58.8°
O28	C57	C58	H571	90.0°	119.1°
O28	C57	C58	H572	90.0°	118.9°
O28	C57	H571	H572	90.0°	117.9°
O28	C57	C58	O29	90.0°	59.1°
O28	C57	C58	H581	90.0°	60.0°
O28	C57	C58	H582	90.0°	178.0°
C58	C57	H571	H572	90.0°	122.4°
C57	C58	O29	H581	90.0°	120.9°
C57	C58	O29	H582	90.0°	120.3°
C57	C58	H581	H582	90.0°	122.5°
C57	C58	O29	C59	90.0°	179.1°
H571	C57	C58	O29	90.0°	60.0°
H571	C57	C58	H581	90.0°	179.1°
H571	C57	C58	H582	90.0°	58.8°
H572	C57	C58	O29	90.0°	178.0°
H572	C57	C58	H581	90.0°	58.9°
H572	C57	C58	H582	90.0°	63.1°
O29	C58	H581	H582	90.0°	117.9°
C58	O29	C59	C60	90.0°	180.0°
C58	O29	C59	H591	90.0°	59.1°
C58	O29	C59	H592	90.0°	59.7°
H581	C58	O29	C59	90.0°	60.0°
H582	C58	O29	C59	90.0°	58.8°
O29	C59	C60	H591	90.0°	119.0°
O29	C59	C60	H592	90.0°	118.9°
O29	C59	H591	H592	90.0°	117.9°
O29	C59	C60	O30	90.0°	60.9°
O29	C59	C60	H601	90.0°	180.0°
O29	C59	C60	H602	90.0°	58.0°
C60	C59	H591	H592	90.0°	122.5°
C59	C60	O30	H601	90.0°	120.9°
C59	C60	O30	H602	90.0°	120.3°
C59	C60	H601	H602	90.0°	122.5°
C59	C60	O30	C61	90.0°	179.1°
H591	C59	C60	O30	90.0°	179.9°
H591	C59	C60	H601	90.0°	60.9°
H591	C59	C60	H602	90.0°	61.1°
H592	C59	C60	O30	90.0°	58.0°
H592	C59	C60	H601	90.0°	61.2°
H592	C59	C60	H602	90.0°	176.8°
O30	C60	H601	H602	90.0°	117.9°
C60	O30	C61	C62	90.0°	180.0°
C60	O30	C61	H611	90.0°	59.1°
C60	O30	C61	H612	90.0°	59.7°
H601	C60	O30	C61	90.0°	60.0°
H602	C60	O30	C61	90.0°	58.8°
O30	C61	C62	H611	90.0°	119.1°
O30	C61	C62	H612	90.0°	119.0°
O30	C61	H611	H612	90.0°	117.9°
O30	C61	C62	O31	90.0°	60.9°
O30	C61	C62	H621	90.0°	180.0°
O30	C61	C62	H622	90.0°	57.9°
C62	C61	H611	H612	90.0°	122.4°
C61	C62	O31	H621	90.0°	121.0°
C61	C62	O31	H622	90.0°	120.2°
C61	C62	H621	H622	90.0°	122.5°
C61	C62	O31	C63	90.0°	179.0°
H611	C61	C62	O31	90.0°	180.0°
H611	C61	C62	H621	90.0°	60.9°
H611	C61	C62	H622	90.0°	61.2°
H612	C61	C62	O31	90.0°	58.1°
H612	C61	C62	H621	90.0°	61.1°
H612	C61	C62	H622	90.0°	176.9°
O31	C62	H621	H622	90.0°	117.8°
C62	O31	C63	C64	90.0°	180.0°
C62	O31	C63	H631	90.0°	59.0°
C62	O31	C63	H632	90.0°	59.8°
H621	C62	O31	C63	90.0°	60.0°
H622	C62	O31	C63	90.0°	58.8°
O31	C63	C64	H631	90.0°	119.2°
O31	C63	C64	H632	90.0°	118.8°
O31	C63	H631	H632	90.0°	117.9°
O31	C63	C64	O32	90.0°	59.1°
O31	C63	C64	H641	90.0°	60.0°
O31	C63	C64	H642	90.0°	178.0°
C64	C63	H631	H632	90.0°	122.4°
C63	C64	O32	H641	90.0°	120.9°
C63	C64	O32	H642	90.0°	120.2°
C63	C64	H641	H642	90.0°	122.4°
C63	C64	O32	C65	90.0°	179.0°
H631	C63	C64	O32	90.0°	60.1°
H631	C63	C64	H641	90.0°	179.2°
H631	C63	C64	H642	90.0°	58.8°
H632	C63	C64	O32	90.0°	178.0°
H632	C63	C64	H641	90.0°	58.8°
H632	C63	C64	H642	90.0°	63.1°
O32	C64	H641	H642	90.0°	118.0°
C64	O32	C65	C66	90.0°	180.0°
C64	O32	C65	H651	90.0°	59.0°
C64	O32	C65	H652	90.0°	59.8°
H641	C64	O32	C65	90.0°	60.1°
H642	C64	O32	C65	90.0°	58.8°
O32	C65	C66	H651	90.0°	119.2°
O32	C65	C66	H652	90.0°	118.8°
O32	C65	H651	H652	90.0°	117.9°
O32	C65	C66	O33	90.0°	60.9°
O32	C65	C66	H661	90.0°	180.0°
O32	C65	C66	H662	90.0°	58.0°
C66	C65	H651	H652	90.0°	122.5°
C65	C66	O33	H661	90.0°	121.0°
C65	C66	O33	H662	90.0°	120.2°
C65	C66	H661	H662	90.0°	122.5°
C65	C66	O33	C67	90.0°	179.0°
H651	C65	C66	O33	90.0°	180.0°
H651	C65	C66	H661	90.0°	60.9°
H651	C65	C66	H662	90.0°	61.2°
H652	C65	C66	O33	90.0°	58.0°
H652	C65	C66	H661	90.0°	61.1°
H652	C65	C66	H662	90.0°	176.8°
O33	C66	H661	H662	90.0°	117.8°
C66	O33	C67	C68	90.0°	180.0°
C66	O33	C67	H671	90.0°	59.0°
C66	O33	C67	H672	90.0°	59.8°
H661	C66	O33	C67	90.0°	60.0°
H662	C66	O33	C67	90.0°	58.8°
O33	C67	C68	H671	90.0°	119.2°
O33	C67	C68	H672	90.0°	118.9°
O33	C67	H671	H672	90.0°	117.9°
O33	C67	C68	O34	90.0°	60.9°
O33	C67	C68	H681	90.0°	180.0°
O33	C67	C68	H682	90.0°	58.0°
C68	C67	H671	H672	90.0°	122.4°
C67	C68	O34	H681	90.0°	121.0°
C67	C68	O34	H682	90.0°	120.2°
C67	C68	H681	H682	90.0°	122.5°
C67	C68	O34	CM	90.0°	179.0°
H671	C67	C68	O34	90.0°	180.0°
H671	C67	C68	H681	90.0°	60.8°
H671	C67	C68	H682	90.0°	61.2°
H672	C67	C68	O34	90.0°	58.0°
H672	C67	C68	H681	90.0°	61.1°
H672	C67	C68	H682	90.0°	176.9°
O34	C68	H681	H682	90.0°	117.8°
C68	O34	CM	HCM1	90.0°	158.1°
C68	O34	CM	HCM2	90.0°	81.1°
C68	O34	CM	HCM3	90.0°	38.5°
H681	C68	O34	CM	90.0°	60.0°
H682	C68	O34	CM	90.0°	58.8°
O34	CM	HCM1	HCM2	90.0°	120.5°
O34	CM	HCM1	HCM3	90.0°	119.3°
O34	CM	HCM2	HCM3	90.0°	119.4°
HCM1	CM	HCM2	HCM3	90.0°	120.2°

Definition date:	1999-11-17
Last modified:	2021-07-08
Release status:	REL
Processing site:	RCSB
Derived from:	1DBW