AXT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.53Å
C1	C6	sing	0.00Å	1.55Å
C1	C16	sing	0.00Å	1.51Å
C1	C17	sing	0.00Å	1.51Å
C2	C3	sing	0.00Å	1.51Å
C2	HC21	sing	0.00Å	1.11Å
C2	HC22	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.54Å
C3	O3	sing	0.00Å	1.45Å
C3	H3	sing	0.00Å	1.12Å
C4	C5	sing	0.00Å	1.46Å
C4	O4	doub	0.00Å	1.24Å
C5	C6	doub	0.00Å	1.38Å
C5	C18	sing	0.00Å	1.51Å
C6	C7	sing	0.00Å	1.45Å
C7	C8	doub	0.00Å	1.38Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.37Å
C8	H8	sing	0.00Å	1.10Å
C9	C10	doub	0.00Å	1.39Å
C9	C19	sing	0.00Å	1.51Å
C10	C11	sing	0.00Å	1.42Å
C10	H10	sing	0.00Å	1.10Å
C11	C12	doub	0.00Å	1.39Å
C11	H11	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.41Å
C12	H12	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.41Å
C13	C20	sing	0.00Å	1.53Å
C14	C15	sing	0.00Å	1.43Å
C14	H14	sing	0.00Å	1.10Å
C15	C35	doub	0.00Å	1.40Å
C15	H15	sing	0.00Å	1.10Å
C16	H161	sing	0.00Å	1.12Å
C16	H162	sing	0.00Å	1.12Å
C16	H163	sing	0.00Å	1.11Å
C17	H171	sing	0.00Å	1.12Å
C17	H172	sing	0.00Å	1.11Å
C17	H173	sing	0.00Å	1.12Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.11Å
C18	H183	sing	0.00Å	1.11Å
C19	H191	sing	0.00Å	1.11Å
C19	H192	sing	0.00Å	1.11Å
C19	H193	sing	0.00Å	1.12Å
C20	H201	sing	0.00Å	1.12Å
C20	H202	sing	0.00Å	1.12Å
C20	H203	sing	0.00Å	1.11Å
O3	HA	sing	0.00Å	0.95Å
C21	C22	sing	0.00Å	1.51Å
C21	C26	sing	0.00Å	1.49Å
C21	C36	sing	0.00Å	1.49Å
C21	C37	sing	0.00Å	1.51Å
C22	C23	sing	0.00Å	1.51Å
C22	H221	sing	0.00Å	1.11Å
C22	H222	sing	0.00Å	1.11Å
C23	C24	sing	0.00Å	1.42Å
C23	O23	sing	0.00Å	1.41Å
C23	H23	sing	0.00Å	1.11Å
C24	C25	sing	0.00Å	1.42Å
C24	O24	doub	0.00Å	1.22Å
C25	C26	doub	0.00Å	1.42Å
C25	C38	sing	0.00Å	1.53Å
C26	C27	sing	0.00Å	1.40Å
C27	C28	doub	0.00Å	1.38Å
C27	H27	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.38Å
C28	H28	sing	0.00Å	1.10Å
C29	C30	doub	0.00Å	1.34Å
C29	C39	sing	0.00Å	1.51Å
C30	C31	sing	0.00Å	1.37Å
C30	H30	sing	0.00Å	1.10Å
C31	C32	doub	0.00Å	1.32Å
C31	H31	sing	0.00Å	1.10Å
C32	C33	sing	0.00Å	1.36Å
C32	H32	sing	0.00Å	1.10Å
C33	C34	doub	0.00Å	1.42Å
C33	C40	sing	0.00Å	1.50Å
C34	C35	sing	0.00Å	1.40Å
C34	H34	sing	0.00Å	1.10Å
C35	H35	sing	0.00Å	1.10Å
C36	H361	sing	0.00Å	1.12Å
C36	H362	sing	0.00Å	1.11Å
C36	H363	sing	0.00Å	1.11Å
C37	H371	sing	0.00Å	1.11Å
C37	H372	sing	0.00Å	1.12Å
C37	H373	sing	0.00Å	1.12Å
C38	H381	sing	0.00Å	1.12Å
C38	H382	sing	0.00Å	1.12Å
C38	H383	sing	0.00Å	1.11Å
C39	H391	sing	0.00Å	1.12Å
C39	H392	sing	0.00Å	1.12Å
C39	H393	sing	0.00Å	1.11Å
C40	H401	sing	0.00Å	1.12Å
C40	H402	sing	0.00Å	1.11Å
C40	H403	sing	0.00Å	1.12Å
O23	HB	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	111.5°	90.0°
C2	C1	C16	104.0°	90.0°
C2	C1	C17	108.0°	90.0°
C1	C2	C3	111.7°	90.0°
C1	C2	HC21	111.4°	90.0°
C1	C2	HC22	111.4°	90.0°
C6	C1	C16	112.7°	90.0°
C6	C1	C17	111.8°	90.0°
C1	C6	C5	118.8°	90.0°
C1	C6	C7	124.4°	90.0°
C16	C1	C17	108.4°	90.0°
C1	C16	H161	104.0°	90.0°
C1	C16	H162	114.3°	90.0°
C1	C16	H163	114.3°	90.0°
C1	C17	H171	108.0°	90.0°
C1	C17	H172	112.7°	90.0°
C1	C17	H173	112.8°	90.0°
C3	C2	HC21	111.4°	90.0°
C3	C2	HC22	111.4°	90.0°
C2	C3	C4	107.1°	90.0°
C2	C3	O3	110.8°	90.0°
C2	C3	H3	109.3°	90.0°
HC21	C2	HC22	98.9°	90.0°
C4	C3	O3	111.1°	90.0°
C4	C3	H3	109.3°	90.0°
C3	C4	C5	119.7°	90.0°
C3	C4	O4	119.2°	90.0°
O3	C3	H3	109.2°	90.0°
C3	O3	HA	110.7°	90.0°
C5	C4	O4	121.1°	90.0°
C4	C5	C6	122.2°	90.0°
C4	C5	C18	120.9°	90.0°
C6	C5	C18	116.9°	90.0°
C5	C6	C7	116.8°	90.0°
C5	C18	H181	116.9°	90.0°
C5	C18	H182	109.5°	90.0°
C5	C18	H183	109.5°	90.0°
C6	C7	C8	125.0°	90.0°
C6	C7	H7	117.5°	90.0°
C8	C7	H7	117.5°	90.0°
C7	C8	C9	122.6°	90.0°
C7	C8	H8	118.7°	90.0°
C9	C8	H8	118.7°	90.0°
C8	C9	C10	115.8°	90.0°
C8	C9	C19	121.2°	90.0°
C10	C9	C19	122.9°	90.0°
C9	C10	C11	126.4°	90.0°
C9	C10	H10	116.8°	90.0°
C9	C19	H191	121.2°	90.0°
C9	C19	H192	108.0°	90.0°
C9	C19	H193	108.0°	90.0°
C11	C10	H10	116.8°	90.0°
C10	C11	C12	114.5°	90.0°
C10	C11	H11	122.8°	90.0°
C12	C11	H11	122.8°	90.0°
C11	C12	C13	126.4°	90.0°
C11	C12	H12	116.8°	90.0°
C13	C12	H12	116.8°	90.0°
C12	C13	C14	115.9°	90.0°
C12	C13	C20	123.0°	90.0°
C14	C13	C20	121.1°	90.0°
C13	C14	C15	124.4°	90.0°
C13	C14	H14	117.8°	90.0°
C13	C20	H201	122.9°	90.0°
C13	C20	H202	107.4°	90.0°
C13	C20	H203	107.4°	90.0°
C15	C14	H14	117.8°	90.0°
C14	C15	C35	120.1°	90.0°
C14	C15	H15	120.0°	90.0°
C35	C15	H15	120.0°	90.0°
C15	C35	C34	117.9°	90.0°
C15	C35	H35	121.0°	90.0°
H161	C16	H162	114.3°	90.0°
H161	C16	H163	114.3°	90.0°
H162	C16	H163	96.2°	90.0°
H171	C17	H172	112.7°	90.0°
H171	C17	H173	112.8°	90.0°
H172	C17	H173	97.7°	90.0°
H181	C18	H182	109.5°	90.0°
H181	C18	H183	109.5°	90.0°
H182	C18	H183	100.7°	90.0°
H191	C19	H192	108.0°	90.0°
H191	C19	H193	108.1°	90.0°
H192	C19	H193	101.9°	90.0°
H201	C20	H202	107.4°	90.0°
H201	C20	H203	107.4°	90.0°
H202	C20	H203	102.4°	90.0°
C22	C21	C26	107.6°	90.0°
C22	C21	C36	103.7°	90.0°
C22	C21	C37	113.0°	90.0°
C21	C22	C23	112.5°	90.0°
C21	C22	H221	111.1°	90.0°
C21	C22	H222	111.1°	90.0°
C26	C21	C36	114.6°	90.0°
C26	C21	C37	108.8°	90.0°
C21	C26	C25	119.7°	90.0°
C21	C26	C27	123.5°	90.0°
C36	C21	C37	109.1°	90.0°
C21	C36	H361	103.7°	90.0°
C21	C36	H362	114.4°	90.0°
C21	C36	H363	114.4°	90.0°
C21	C37	H371	113.0°	90.0°
C21	C37	H372	110.9°	90.0°
C21	C37	H373	110.9°	90.0°
C23	C22	H221	111.1°	90.0°
C23	C22	H222	111.1°	90.0°
C22	C23	C24	109.3°	90.0°
C22	C23	O23	110.7°	90.0°
C22	C23	H23	110.0°	90.0°
H221	C22	H222	99.3°	90.0°
C24	C23	O23	106.9°	90.0°
C24	C23	H23	109.9°	90.0°
C23	C24	C25	119.8°	90.0°
C23	C24	O24	117.0°	90.0°
O23	C23	H23	110.0°	90.0°
C23	O23	HB	110.7°	90.0°
C25	C24	O24	123.1°	90.0°
C24	C25	C26	121.7°	90.0°
C24	C25	C38	118.2°	90.0°
C26	C25	C38	120.0°	90.0°
C25	C26	C27	116.8°	90.0°
C25	C38	H381	120.0°	90.0°
C25	C38	H382	108.4°	90.0°
C25	C38	H383	108.4°	90.0°
C26	C27	C28	128.1°	90.0°
C26	C27	H27	116.0°	90.0°
C28	C27	H27	116.0°	90.0°
C27	C28	C29	118.9°	90.0°
C27	C28	H28	120.6°	90.0°
C29	C28	H28	120.5°	90.0°
C28	C29	C30	118.3°	90.0°
C28	C29	C39	120.5°	90.0°
C30	C29	C39	121.1°	90.0°
C29	C30	C31	122.3°	90.0°
C29	C30	H30	118.8°	90.0°
C29	C39	H391	120.5°	90.0°
C29	C39	H392	108.3°	90.0°
C29	C39	H393	108.2°	90.0°
C31	C30	H30	118.9°	90.0°
C30	C31	C32	112.0°	90.0°
C30	C31	H31	124.0°	90.0°
C32	C31	H31	124.0°	90.0°
C31	C32	C33	125.7°	90.0°
C31	C32	H32	117.1°	90.0°
C33	C32	H32	117.2°	90.0°
C32	C33	C34	114.9°	90.0°
C32	C33	C40	120.8°	90.0°
C34	C33	C40	124.2°	90.0°
C33	C34	C35	127.1°	90.0°
C33	C34	H34	116.4°	90.0°
C33	C40	H401	120.8°	90.0°
C33	C40	H402	108.2°	90.0°
C33	C40	H403	108.1°	90.0°
C35	C34	H34	116.4°	90.0°
C34	C35	H35	121.0°	90.0°
H361	C36	H362	114.4°	90.0°
H361	C36	H363	114.4°	90.0°
H362	C36	H363	96.1°	90.0°
H371	C37	H372	110.9°	90.0°
H371	C37	H373	110.9°	90.0°
H372	C37	H373	99.4°	90.0°
H381	C38	H382	108.4°	90.0°
H381	C38	H383	108.4°	90.0°
H382	C38	H383	101.6°	90.0°
H391	C39	H392	108.2°	90.0°
H391	C39	H393	108.2°	90.0°
H392	C39	H393	101.7°	90.0°
H401	C40	H402	108.1°	90.0°
H401	C40	H403	108.1°	90.0°
H402	C40	H403	101.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C16	116.5°	90.0°
C2	C1	C6	C17	121.1°	90.0°
C2	C1	C16	C17	114.8°	90.0°
C1	C2	C3	HC21	125.3°	90.0°
C1	C2	C3	HC22	125.3°	90.0°
C1	C2	HC21	HC22	117.3°	90.0°
C1	C2	C3	C4	59.8°	90.0°
C1	C2	C3	O3	178.9°	90.0°
C1	C2	C3	H3	58.5°	90.0°
C2	C1	C6	C5	22.2°	90.0°
C2	C1	C6	C7	157.0°	90.0°
C2	C1	C16	H161	180.0°	90.0°
C2	C1	C16	H162	54.7°	90.0°
C2	C1	C16	H163	54.7°	90.0°
C2	C1	C17	H171	180.0°	90.0°
C2	C1	C17	H172	54.7°	90.0°
C2	C1	C17	H173	54.7°	90.0°
C6	C1	C16	C17	124.3°	90.0°
C6	C1	C2	C3	55.4°	90.0°
C6	C1	C2	HC21	179.3°	90.0°
C6	C1	C2	HC22	69.8°	90.0°
C1	C6	C5	C4	3.2°	90.0°
C1	C6	C5	C7	179.3°	90.0°
C1	C6	C5	C18	177.0°	90.0°
C1	C6	C7	C8	7.8°	90.0°
C1	C6	C7	H7	172.2°	90.0°
C6	C1	C16	H161	59.1°	90.0°
C6	C1	C16	H162	66.2°	90.0°
C6	C1	C16	H163	175.7°	90.0°
C6	C1	C17	H171	56.9°	90.0°
C6	C1	C17	H172	177.8°	90.0°
C6	C1	C17	H173	68.4°	90.0°
C16	C1	C2	C3	177.1°	90.0°
C16	C1	C2	HC21	57.6°	90.0°
C16	C1	C2	HC22	51.9°	90.0°
C16	C1	C6	C5	138.8°	90.0°
C16	C1	C6	C7	40.5°	90.0°
C1	C16	H161	H162	125.3°	90.0°
C1	C16	H161	H163	125.3°	90.0°
C1	C16	H162	H163	120.2°	90.0°
C16	C1	C17	H171	67.9°	90.0°
C16	C1	C17	H172	57.4°	90.0°
C16	C1	C17	H173	166.9°	90.0°
C17	C1	C2	C3	67.9°	90.0°
C17	C1	C2	HC21	57.4°	90.0°
C17	C1	C2	HC22	166.9°	90.0°
C17	C1	C6	C5	98.9°	90.0°
C17	C1	C6	C7	81.9°	90.0°
C17	C1	C16	H161	65.2°	90.0°
C17	C1	C16	H162	169.5°	90.0°
C17	C1	C16	H163	60.1°	90.0°
C1	C17	H171	H172	125.3°	90.0°
C1	C17	H171	H173	125.3°	90.0°
C1	C17	H172	H173	118.7°	90.0°
C3	C2	HC21	HC22	117.3°	90.0°
C2	C3	C4	O3	121.1°	90.0°
C2	C3	C4	H3	118.3°	90.0°
C2	C3	O3	H3	120.4°	90.0°
C2	C3	C4	C5	34.4°	90.0°
C2	C3	C4	O4	147.5°	90.0°
C2	C3	O3	HA	180.0°	90.0°
HC21	C2	C3	C4	175.0°	90.0°
HC21	C2	C3	O3	53.6°	90.0°
HC21	C2	C3	H3	66.8°	90.0°
HC22	C2	C3	C4	65.5°	90.0°
HC22	C2	C3	O3	55.8°	90.0°
HC22	C2	C3	H3	176.2°	90.0°
C4	C3	O3	H3	120.6°	90.0°
C3	C4	C5	O4	178.0°	90.0°
C3	C4	C5	C6	3.4°	90.0°
C3	C4	C5	C18	176.4°	90.0°
C4	C3	O3	HA	61.1°	90.0°
O3	C3	C4	C5	155.5°	90.0°
O3	C3	C4	O4	26.4°	90.0°
H3	C3	C4	C5	83.9°	90.0°
H3	C3	C4	O4	94.2°	90.0°
H3	C3	O3	HA	59.5°	90.0°
C4	C5	C6	C18	179.8°	90.0°
C4	C5	C6	C7	177.5°	90.0°
C4	C5	C18	H181	0.2°	90.0°
C4	C5	C18	H182	125.5°	90.0°
C4	C5	C18	H183	125.0°	90.0°
O4	C4	C5	C6	178.5°	90.0°
O4	C4	C5	C18	1.7°	90.0°
C5	C6	C7	C8	172.9°	90.0°
C5	C6	C7	H7	7.1°	90.0°
C6	C5	C18	H181	180.0°	90.0°
C6	C5	C18	H182	54.7°	90.0°
C6	C5	C18	H183	54.8°	90.0°
C18	C5	C6	C7	2.3°	90.0°
C5	C18	H181	H182	125.3°	90.0°
C5	C18	H181	H183	125.2°	90.0°
C5	C18	H182	H183	115.3°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	178.6°	90.0°
C6	C7	C8	H8	1.4°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	175.7°	90.0°
C7	C8	C9	C19	1.4°	90.0°
H7	C7	C8	C9	1.4°	90.0°
H7	C7	C8	H8	178.6°	90.0°
C8	C9	C10	C19	177.0°	90.0°
C8	C9	C10	C11	177.3°	90.0°
C8	C9	C10	H10	2.7°	90.0°
C8	C9	C19	H191	180.0°	90.0°
C8	C9	C19	H192	54.7°	90.0°
C8	C9	C19	H193	54.7°	90.0°
H8	C8	C9	C10	4.3°	90.0°
H8	C8	C9	C19	178.6°	90.0°
C9	C10	C11	H10	180.0°	90.0°
C9	C10	C11	C12	176.7°	90.0°
C9	C10	C11	H11	3.2°	90.0°
C10	C9	C19	H191	3.1°	90.0°
C10	C9	C19	H192	128.4°	90.0°
C10	C9	C19	H193	122.1°	90.0°
C19	C9	C10	C11	0.3°	90.0°
C19	C9	C10	H10	179.7°	90.0°
C9	C19	H191	H192	125.3°	90.0°
C9	C19	H191	H193	125.3°	90.0°
C9	C19	H192	H193	113.6°	90.0°
C10	C11	C12	H11	180.0°	90.0°
C10	C11	C12	C13	177.9°	90.0°
C10	C11	C12	H12	2.1°	90.0°
H10	C10	C11	C12	3.3°	90.0°
H10	C10	C11	H11	176.8°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C14	177.4°	90.0°
C11	C12	C13	C20	0.6°	90.0°
H11	C11	C12	C13	2.1°	90.0°
H11	C11	C12	H12	177.9°	90.0°
C12	C13	C14	C20	178.0°	90.0°
C12	C13	C14	C15	176.8°	90.0°
C12	C13	C14	H14	3.2°	90.0°
C12	C13	C20	H201	180.0°	90.0°
C12	C13	C20	H202	54.8°	90.0°
C12	C13	C20	H203	54.7°	90.0°
H12	C12	C13	C14	2.6°	90.0°
H12	C12	C13	C20	179.4°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C35	179.6°	90.0°
C13	C14	C15	H15	0.4°	90.0°
C14	C13	C20	H201	2.1°	90.0°
C14	C13	C20	H202	127.4°	90.0°
C14	C13	C20	H203	123.1°	90.0°
C20	C13	C14	C15	1.2°	90.0°
C20	C13	C14	H14	178.8°	90.0°
C13	C20	H201	H202	125.3°	90.0°
C13	C20	H201	H203	125.3°	90.0°
C13	C20	H202	H203	113.0°	90.0°
C14	C15	C35	H15	180.0°	90.0°
C14	C15	C35	C34	177.6°	90.0°
C14	C15	C35	H35	2.4°	90.0°
H14	C14	C15	C35	0.5°	90.0°
H14	C14	C15	H15	179.5°	90.0°
C15	C35	C34	C33	179.3°	90.0°
C15	C35	C34	H35	180.0°	90.0°
C15	C35	C34	H34	0.7°	90.0°
H15	C15	C35	C34	2.4°	90.0°
H15	C15	C35	H35	177.6°	90.0°
H161	C16	H162	H163	120.1°	90.0°
H171	C17	H172	H173	118.7°	90.0°
H181	C18	H182	H183	115.3°	90.0°
H191	C19	H192	H193	113.7°	90.0°
H201	C20	H202	H203	112.9°	90.0°
C22	C21	C26	C36	114.8°	90.0°
C22	C21	C26	C37	122.8°	90.0°
C22	C21	C36	C37	120.7°	90.0°
C21	C22	C23	H221	125.2°	90.0°
C21	C22	C23	H222	125.3°	90.0°
C21	C22	H221	H222	117.0°	90.0°
C21	C22	C23	C24	60.1°	90.0°
C21	C22	C23	O23	177.6°	90.0°
C21	C22	C23	H23	60.7°	90.0°
C22	C21	C26	C25	26.0°	90.0°
C22	C21	C26	C27	154.7°	90.0°
C22	C21	C36	H361	180.0°	90.0°
C22	C21	C36	H362	54.7°	90.0°
C22	C21	C36	H363	54.7°	90.0°
C22	C21	C37	H371	180.0°	90.0°
C22	C21	C37	H372	54.7°	90.0°
C22	C21	C37	H373	54.7°	90.0°
C26	C21	C36	C37	122.3°	90.0°
C26	C21	C22	C23	56.9°	90.0°
C26	C21	C22	H221	177.8°	90.0°
C26	C21	C22	H222	68.3°	90.0°
C21	C26	C25	C24	1.5°	90.0°
C21	C26	C25	C27	179.3°	90.0°
C21	C26	C25	C38	179.2°	90.0°
C21	C26	C27	C28	2.2°	90.0°
C21	C26	C27	H27	177.8°	90.0°
C26	C21	C36	H361	63.0°	90.0°
C26	C21	C36	H362	62.3°	90.0°
C26	C21	C36	H363	171.8°	90.0°
C26	C21	C37	H371	60.5°	90.0°
C26	C21	C37	H372	174.3°	90.0°
C26	C21	C37	H373	64.8°	90.0°
C36	C21	C22	C23	178.8°	90.0°
C36	C21	C22	H221	56.0°	90.0°
C36	C21	C22	H222	53.5°	90.0°
C36	C21	C26	C25	140.8°	90.0°
C36	C21	C26	C27	39.9°	90.0°
C21	C36	H361	H362	125.3°	90.0°
C21	C36	H361	H363	125.3°	90.0°
C21	C36	H362	H363	120.3°	90.0°
C36	C21	C37	H371	65.2°	90.0°
C36	C21	C37	H372	60.0°	90.0°
C36	C21	C37	H373	169.5°	90.0°
C37	C21	C22	C23	63.3°	90.0°
C37	C21	C22	H221	61.9°	90.0°
C37	C21	C22	H222	171.5°	90.0°
C37	C21	C26	C25	96.8°	90.0°
C37	C21	C26	C27	82.5°	90.0°
C37	C21	C36	H361	59.3°	90.0°
C37	C21	C36	H362	175.4°	90.0°
C37	C21	C36	H363	66.0°	90.0°
C21	C37	H371	H372	125.3°	90.0°
C21	C37	H371	H373	125.3°	90.0°
C21	C37	H372	H373	116.8°	90.0°
C23	C22	H221	H222	117.0°	90.0°
C22	C23	C24	O23	119.9°	90.0°
C22	C23	C24	H23	120.8°	90.0°
C22	C23	O23	H23	121.7°	90.0°
C22	C23	C24	C25	30.2°	90.0°
C22	C23	C24	O24	151.0°	90.0°
C22	C23	O23	HB	180.0°	90.0°
H221	C22	C23	C24	174.6°	90.0°
H221	C22	C23	O23	57.1°	90.0°
H221	C22	C23	H23	64.6°	90.0°
H222	C22	C23	C24	65.1°	90.0°
H222	C22	C23	O23	52.4°	90.0°
H222	C22	C23	H23	174.1°	90.0°
C24	C23	O23	H23	119.3°	90.0°
C23	C24	C25	O24	178.7°	90.0°
C23	C24	C25	C26	0.7°	90.0°
C23	C24	C25	C38	178.6°	90.0°
C24	C23	O23	HB	61.0°	90.0°
O23	C23	C24	C25	150.1°	90.0°
O23	C23	C24	O24	31.2°	90.0°
H23	C23	C24	C25	90.6°	90.0°
H23	C23	C24	O24	88.1°	90.0°
H23	C23	O23	HB	58.3°	90.0°
C24	C25	C26	C38	179.3°	90.0°
C24	C25	C26	C27	177.9°	90.0°
C24	C25	C38	H381	0.7°	90.0°
C24	C25	C38	H382	125.9°	90.0°
C24	C25	C38	H383	124.6°	90.0°
O24	C24	C25	C26	179.3°	90.0°
O24	C24	C25	C38	0.0°	90.0°
C25	C26	C27	C28	177.1°	90.0°
C25	C26	C27	H27	2.9°	90.0°
C26	C25	C38	H381	180.0°	90.0°
C26	C25	C38	H382	54.8°	90.0°
C26	C25	C38	H383	54.8°	90.0°
C38	C25	C26	C27	1.4°	90.0°
C25	C38	H381	H382	125.3°	90.0°
C25	C38	H381	H383	125.2°	90.0°
C25	C38	H382	H383	114.1°	90.0°
C26	C27	C28	H27	180.0°	90.0°
C26	C27	C28	C29	178.6°	90.0°
C26	C27	C28	H28	1.4°	90.0°
C27	C28	C29	H28	180.0°	90.0°
C27	C28	C29	C30	178.8°	90.0°
C27	C28	C29	C39	0.8°	90.0°
H27	C27	C28	C29	1.4°	90.0°
H27	C27	C28	H28	178.6°	90.0°
C28	C29	C30	C39	179.6°	90.0°
C28	C29	C30	C31	179.0°	90.0°
C28	C29	C30	H30	1.0°	90.0°
C28	C29	C39	H391	180.0°	90.0°
C28	C29	C39	H392	54.8°	90.0°
C28	C29	C39	H393	54.7°	90.0°
H28	C28	C29	C30	1.2°	90.0°
H28	C28	C29	C39	179.1°	90.0°
C29	C30	C31	H30	180.0°	90.0°
C29	C30	C31	C32	179.2°	90.0°
C29	C30	C31	H31	0.8°	90.0°
C30	C29	C39	H391	0.4°	90.0°
C30	C29	C39	H392	125.6°	90.0°
C30	C29	C39	H393	124.9°	90.0°
C39	C29	C30	C31	0.6°	90.0°
C39	C29	C30	H30	179.4°	90.0°
C29	C39	H391	H392	125.3°	90.0°
C29	C39	H391	H393	125.3°	90.0°
C29	C39	H392	H393	113.9°	90.0°
C30	C31	C32	H31	180.0°	90.0°
C30	C31	C32	C33	177.5°	90.0°
C30	C31	C32	H32	2.5°	90.0°
H30	C30	C31	C32	0.8°	90.0°
H30	C30	C31	H31	179.2°	90.0°
C31	C32	C33	H32	180.0°	90.0°
C31	C32	C33	C34	179.0°	90.0°
C31	C32	C33	C40	0.2°	90.0°
H31	C31	C32	C33	2.4°	90.0°
H31	C31	C32	H32	177.5°	90.0°
C32	C33	C34	C40	178.7°	90.0°
C32	C33	C34	C35	178.2°	90.0°
C32	C33	C34	H34	1.7°	90.0°
C32	C33	C40	H401	180.0°	90.0°
C32	C33	C40	H402	54.7°	90.0°
C32	C33	C40	H403	54.8°	90.0°
H32	C32	C33	C34	1.1°	90.0°
H32	C32	C33	C40	179.9°	90.0°
C33	C34	C35	H34	180.0°	90.0°
C33	C34	C35	H35	0.7°	90.0°
C34	C33	C40	H401	1.3°	90.0°
C34	C33	C40	H402	126.6°	90.0°
C34	C33	C40	H403	123.9°	90.0°
C40	C33	C34	C35	0.5°	90.0°
C40	C33	C34	H34	179.5°	90.0°
C33	C40	H401	H402	125.3°	90.0°
C33	C40	H401	H403	125.2°	90.0°
C33	C40	H402	H403	113.8°	90.0°
H34	C34	C35	H35	179.3°	90.0°
H361	C36	H362	H363	120.3°	90.0°
H371	C37	H372	H373	116.8°	90.0°
H381	C38	H382	H383	114.1°	90.0°
H391	C39	H392	H393	113.9°	90.0°
H401	C40	H402	H403	113.8°	90.0°

Definition date:	2001-08-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	1GKA