LUT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.55Å
C1	C6	sing	0.00Å	1.56Å
C1	C16	sing	0.00Å	1.54Å
C1	C17	sing	0.00Å	1.54Å
C2	C3	sing	0.00Å	1.53Å
C2	H21	sing	0.00Å	1.11Å
C2	H22	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.53Å
C3	O3	sing	0.00Å	1.42Å
C3	H3	sing	0.00Å	1.11Å
C4	C5	sing	0.00Å	1.49Å
C4	H41	sing	0.00Å	1.11Å
C4	H42	sing	0.00Å	1.12Å
C5	C6	doub	0.00Å	1.38Å
C5	C18	sing	0.00Å	1.49Å
C6	C7	sing	0.00Å	1.48Å
C7	C8	doub	0.00Å	1.35Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.46Å
C8	H8	sing	0.00Å	1.10Å
C9	C10	doub	0.00Å	1.35Å
C9	C19	sing	0.00Å	1.50Å
C10	C11	sing	0.00Å	1.44Å
C10	H10	sing	0.00Å	1.10Å
C11	C12	doub	0.00Å	1.34Å
C11	H11	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.47Å
C12	H12	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.35Å
C13	C20	sing	0.00Å	1.50Å
C14	C15	sing	0.00Å	1.44Å
C14	H14	sing	0.00Å	1.10Å
C15	C35	doub	0.00Å	1.34Å
C15	H15	sing	0.00Å	1.10Å
C16	H161	sing	0.00Å	1.11Å
C16	H162	sing	0.00Å	1.12Å
C16	H163	sing	0.00Å	1.12Å
C17	H171	sing	0.00Å	1.11Å
C17	H172	sing	0.00Å	1.12Å
C17	H173	sing	0.00Å	1.11Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.11Å
C18	H183	sing	0.00Å	1.12Å
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	1.11Å
C20	H202	sing	0.00Å	1.11Å
C20	H203	sing	0.00Å	1.12Å
O3	HO3	sing	0.00Å	0.95Å
C21	C22	sing	0.00Å	1.54Å
C21	C26	sing	0.00Å	1.56Å
C21	C36	sing	0.00Å	1.55Å
C21	C37	sing	0.00Å	1.54Å
C22	C23	sing	0.00Å	1.53Å
C22	H221	sing	0.00Å	1.11Å
C22	H222	sing	0.00Å	1.12Å
C23	C24	sing	0.00Å	1.53Å
C23	O23	sing	0.00Å	1.42Å
C23	H23	sing	0.00Å	1.11Å
C24	C25	doub	0.00Å	1.35Å
C24	H24	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.52Å
C25	C38	sing	0.00Å	1.49Å
C26	C27	sing	0.00Å	1.53Å
C26	H26	sing	0.00Å	1.12Å
C27	C28	doub	0.00Å	1.36Å
C27	H27	sing	0.00Å	1.10Å
C28	C29	sing	0.00Å	1.48Å
C28	H28	sing	0.00Å	1.10Å
C29	C30	doub	0.00Å	1.35Å
C29	C39	sing	0.00Å	1.50Å
C30	C31	sing	0.00Å	1.44Å
C30	H30	sing	0.00Å	1.10Å
C31	C32	doub	0.00Å	1.35Å
C31	H31	sing	0.00Å	1.10Å
C32	C33	sing	0.00Å	1.47Å
C32	H32	sing	0.00Å	1.10Å
C33	C34	doub	0.00Å	1.35Å
C33	C40	sing	0.00Å	1.51Å
C34	C35	sing	0.00Å	1.43Å
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	1.12Å
C37	H372	sing	0.00Å	1.11Å
C37	H373	sing	0.00Å	1.11Å
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	1.11Å
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	1.11Å
O23	H1	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	116.9°	90.0°
C2	C1	C16	107.4°	90.0°
C2	C1	C17	103.6°	90.0°
C1	C2	C3	118.9°	90.0°
C1	C2	H21	108.8°	90.0°
C1	C2	H22	108.9°	90.0°
C6	C1	C16	110.5°	90.0°
C6	C1	C17	110.1°	90.0°
C1	C6	C5	120.8°	90.0°
C1	C6	C7	118.0°	90.0°
C16	C1	C17	107.7°	90.0°
C1	C16	H161	107.4°	90.0°
C1	C16	H162	113.0°	90.0°
C1	C16	H163	113.0°	90.0°
C1	C17	H171	103.7°	90.0°
C1	C17	H172	114.4°	90.0°
C1	C17	H173	114.4°	90.0°
C3	C2	H21	108.8°	90.0°
C3	C2	H22	108.8°	90.0°
C2	C3	C4	114.1°	90.0°
C2	C3	O3	110.4°	90.0°
C2	C3	H3	105.8°	90.0°
H21	C2	H22	101.3°	90.0°
C4	C3	O3	110.1°	90.0°
C4	C3	H3	106.1°	90.0°
C3	C4	C5	118.8°	90.0°
C3	C4	H41	108.8°	90.0°
C3	C4	H42	108.8°	90.0°
O3	C3	H3	110.1°	90.0°
C3	O3	HO3	110.4°	90.0°
C5	C4	H41	108.9°	90.0°
C5	C4	H42	108.9°	90.0°
C4	C5	C6	122.4°	90.0°
C4	C5	C18	107.5°	90.0°
H41	C4	H42	101.1°	90.0°
C6	C5	C18	130.1°	90.0°
C5	C6	C7	121.2°	90.0°
C5	C18	H181	107.5°	90.0°
C5	C18	H182	112.9°	90.0°
C5	C18	H183	112.9°	90.0°
C6	C7	C8	127.7°	90.0°
C6	C7	H7	121.4°	90.0°
C8	C7	H7	110.8°	90.0°
C7	C8	C9	126.2°	90.0°
C7	C8	H8	112.2°	90.0°
C9	C8	H8	121.6°	90.0°
C8	C9	C10	118.1°	90.0°
C8	C9	C19	117.6°	90.0°
C10	C9	C19	124.3°	90.0°
C9	C10	C11	126.6°	90.0°
C9	C10	H10	113.0°	90.0°
C9	C19	H191	117.5°	90.0°
C9	C19	H192	109.2°	90.0°
C9	C19	H193	109.3°	90.0°
C11	C10	H10	120.3°	90.0°
C10	C11	C12	120.2°	90.0°
C10	C11	H11	123.5°	90.0°
C12	C11	H11	116.3°	90.0°
C11	C12	C13	130.1°	90.0°
C11	C12	H12	109.3°	90.0°
C13	C12	H12	120.6°	90.0°
C12	C13	C14	116.9°	90.0°
C12	C13	C20	118.5°	90.0°
C14	C13	C20	124.5°	90.0°
C13	C14	C15	128.9°	90.0°
C13	C14	H14	111.9°	90.0°
C13	C20	H201	118.5°	90.0°
C13	C20	H202	109.0°	90.0°
C13	C20	H203	108.9°	90.0°
C15	C14	H14	119.2°	90.0°
C14	C15	C35	119.1°	90.0°
C14	C15	H15	123.7°	90.0°
C35	C15	H15	117.2°	90.0°
C15	C35	C34	121.7°	90.0°
C15	C35	H35	115.7°	90.0°
H161	C16	H162	113.0°	90.0°
H161	C16	H163	113.0°	90.0°
H162	C16	H163	97.5°	90.0°
H171	C17	H172	114.4°	90.0°
H171	C17	H173	114.5°	90.0°
H172	C17	H173	96.0°	90.0°
H181	C18	H182	113.0°	90.0°
H181	C18	H183	112.9°	90.0°
H182	C18	H183	97.5°	90.0°
H191	C19	H192	109.4°	90.0°
H191	C19	H193	109.3°	90.0°
H192	C19	H193	100.8°	90.0°
H201	C20	H202	109.0°	90.0°
H201	C20	H203	109.0°	90.0°
H202	C20	H203	101.1°	90.0°
C22	C21	C26	116.1°	90.0°
C22	C21	C36	106.9°	90.0°
C22	C21	C37	106.3°	90.0°
C21	C22	C23	115.4°	90.0°
C21	C22	H221	110.0°	90.0°
C21	C22	H222	110.0°	90.0°
C26	C21	C36	110.6°	90.0°
C26	C21	C37	109.1°	90.0°
C21	C26	C25	113.0°	90.0°
C21	C26	C27	115.2°	90.0°
C21	C26	H26	103.1°	90.0°
C36	C21	C37	107.5°	90.0°
C21	C36	H361	106.9°	90.0°
C21	C36	H362	113.2°	90.0°
C21	C36	H363	113.2°	90.0°
C21	C37	H371	106.3°	90.0°
C21	C37	H372	113.4°	90.0°
C21	C37	H373	113.4°	90.0°
C23	C22	H221	110.1°	90.0°
C23	C22	H222	110.1°	90.0°
C22	C23	C24	113.6°	90.0°
C22	C23	O23	110.0°	90.0°
C22	C23	H23	106.5°	90.0°
H221	C22	H222	100.2°	90.0°
C24	C23	O23	110.5°	90.0°
C24	C23	H23	106.0°	90.0°
C23	C24	C25	123.7°	90.0°
C23	C24	H24	124.9°	90.0°
O23	C23	H23	109.9°	90.0°
C23	O23	H1	110.0°	90.0°
C25	C24	H24	111.4°	90.0°
C24	C25	C26	124.7°	90.0°
C24	C25	C38	113.6°	90.0°
C26	C25	C38	121.6°	90.0°
C25	C26	C27	110.7°	90.0°
C25	C26	H26	108.4°	90.0°
C25	C38	H381	113.6°	90.0°
C25	C38	H382	110.7°	90.0°
C25	C38	H383	110.7°	90.0°
C27	C26	H26	105.7°	90.0°
C26	C27	C28	125.0°	90.0°
C26	C27	H27	124.0°	90.0°
C28	C27	H27	111.0°	90.0°
C27	C28	C29	127.9°	90.0°
C27	C28	H28	111.3°	90.0°
C29	C28	H28	120.8°	90.0°
C28	C29	C30	118.1°	90.0°
C28	C29	C39	118.0°	90.0°
C30	C29	C39	123.9°	90.0°
C29	C30	C31	127.4°	90.0°
C29	C30	H30	112.6°	90.0°
C29	C39	H391	118.0°	90.0°
C29	C39	H392	109.1°	90.0°
C29	C39	H393	109.1°	90.0°
C31	C30	H30	120.0°	90.0°
C30	C31	C32	120.4°	90.0°
C30	C31	H31	123.1°	90.0°
C32	C31	H31	116.4°	90.0°
C31	C32	C33	130.0°	90.0°
C31	C32	H32	109.7°	90.0°
C33	C32	H32	120.3°	90.0°
C32	C33	C34	117.4°	90.0°
C32	C33	C40	118.0°	90.0°
C34	C33	C40	124.6°	90.0°
C33	C34	C35	128.3°	90.0°
C33	C34	H34	112.3°	90.0°
C33	C40	H401	118.0°	90.0°
C33	C40	H402	109.1°	90.0°
C33	C40	H403	109.1°	90.0°
C35	C34	H34	119.4°	90.0°
C34	C35	H35	122.5°	90.0°
H361	C36	H362	113.1°	90.0°
H361	C36	H363	113.1°	90.0°
H362	C36	H363	97.3°	90.0°
H371	C37	H372	113.4°	90.0°
H371	C37	H373	113.4°	90.0°
H372	C37	H373	97.1°	90.0°
H381	C38	H382	110.6°	90.0°
H381	C38	H383	110.6°	90.0°
H382	C38	H383	99.7°	90.0°
H391	C39	H392	109.1°	90.0°
H391	C39	H393	109.1°	90.0°
H392	C39	H393	101.0°	90.0°
H401	C40	H402	109.1°	90.0°
H401	C40	H403	109.1°	90.0°
H402	C40	H403	101.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C16	123.2°	90.0°
C2	C1	C6	C17	117.8°	90.0°
C2	C1	C16	C17	111.1°	90.0°
C1	C2	C3	H21	125.3°	90.0°
C1	C2	C3	H22	125.2°	90.0°
C1	C2	H21	H22	114.6°	90.0°
C1	C2	C3	C4	29.4°	90.0°
C1	C2	C3	O3	154.1°	90.0°
C1	C2	C3	H3	86.8°	90.0°
C2	C1	C6	C5	3.2°	90.0°
C2	C1	C6	C7	176.4°	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	179.9°	90.0°
C2	C1	C17	H172	54.7°	90.0°
C2	C1	C17	H173	54.7°	90.0°
C6	C1	C16	C17	120.3°	90.0°
C6	C1	C2	C3	12.2°	90.0°
C6	C1	C2	H21	137.5°	90.0°
C6	C1	C2	H22	113.0°	90.0°
C1	C6	C5	C4	0.2°	90.0°
C1	C6	C5	C7	179.6°	90.0°
C1	C6	C5	C18	179.1°	90.0°
C1	C6	C7	C8	102.4°	90.0°
C1	C6	C7	H7	77.6°	90.0°
C6	C1	C16	H161	51.4°	90.0°
C6	C1	C16	H162	176.7°	90.0°
C6	C1	C16	H163	73.9°	90.0°
C6	C1	C17	H171	54.2°	90.0°
C6	C1	C17	H172	71.0°	90.0°
C6	C1	C17	H173	179.6°	90.0°
C16	C1	C2	C3	112.6°	90.0°
C16	C1	C2	H21	12.7°	90.0°
C16	C1	C2	H22	122.2°	90.0°
C16	C1	C6	C5	126.4°	90.0°
C16	C1	C6	C7	53.2°	90.0°
C1	C16	H161	H162	125.2°	90.0°
C1	C16	H161	H163	125.2°	90.0°
C1	C16	H162	H163	118.9°	90.0°
C16	C1	C17	H171	66.4°	90.0°
C16	C1	C17	H172	168.4°	90.0°
C16	C1	C17	H173	58.9°	90.0°
C17	C1	C2	C3	133.5°	90.0°
C17	C1	C2	H21	101.2°	90.0°
C17	C1	C2	H22	8.3°	90.0°
C17	C1	C6	C5	114.6°	90.0°
C17	C1	C6	C7	65.8°	90.0°
C17	C1	C16	H161	68.9°	90.0°
C17	C1	C16	H162	56.4°	90.0°
C17	C1	C16	H163	165.8°	90.0°
C1	C17	H171	H172	125.2°	90.0°
C1	C17	H171	H173	125.3°	90.0°
C1	C17	H172	H173	120.3°	90.0°
C3	C2	H21	H22	114.5°	90.0°
C2	C3	C4	O3	124.8°	90.0°
C2	C3	C4	H3	116.1°	90.0°
C2	C3	O3	H3	116.5°	90.0°
C2	C3	C4	C5	33.1°	90.0°
C2	C3	C4	H41	158.4°	90.0°
C2	C3	C4	H42	92.2°	90.0°
C2	C3	O3	HO3	180.0°	90.0°
H21	C2	C3	C4	154.7°	90.0°
H21	C2	C3	O3	80.7°	90.0°
H21	C2	C3	H3	38.5°	90.0°
H22	C2	C3	C4	95.8°	90.0°
H22	C2	C3	O3	28.8°	90.0°
H22	C2	C3	H3	147.9°	90.0°
C4	C3	O3	H3	116.6°	90.0°
C3	C4	C5	H41	125.3°	90.0°
C3	C4	C5	H42	125.3°	90.0°
C3	C4	H41	H42	114.5°	90.0°
C3	C4	C5	C6	19.2°	90.0°
C3	C4	C5	C18	160.2°	90.0°
C4	C3	O3	HO3	53.1°	90.0°
O3	C3	C4	C5	157.9°	90.0°
O3	C3	C4	H41	76.8°	90.0°
O3	C3	C4	H42	32.6°	90.0°
H3	C3	C4	C5	83.0°	90.0°
H3	C3	C4	H41	42.3°	90.0°
H3	C3	C4	H42	151.7°	90.0°
H3	C3	O3	HO3	63.5°	90.0°
C5	C4	H41	H42	114.6°	90.0°
C4	C5	C6	C18	179.3°	90.0°
C4	C5	C6	C7	179.8°	90.0°
C4	C5	C18	H181	180.0°	90.0°
C4	C5	C18	H182	54.7°	90.0°
C4	C5	C18	H183	54.7°	90.0°
H41	C4	C5	C6	144.6°	90.0°
H41	C4	C5	C18	34.9°	90.0°
H42	C4	C5	C6	106.0°	90.0°
H42	C4	C5	C18	74.5°	90.0°
C5	C6	C7	C8	78.0°	90.0°
C5	C6	C7	H7	102.0°	90.0°
C6	C5	C18	H181	0.6°	90.0°
C6	C5	C18	H182	124.7°	90.0°
C6	C5	C18	H183	125.9°	90.0°
C18	C5	C6	C7	0.5°	90.0°
C5	C18	H181	H182	125.3°	90.0°
C5	C18	H181	H183	125.3°	90.0°
C5	C18	H182	H183	118.8°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	173.2°	90.0°
C6	C7	C8	H8	6.8°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C7	C8	C9	C10	174.6°	90.0°
C7	C8	C9	C19	3.0°	90.0°
H7	C7	C8	C9	6.9°	90.0°
H7	C7	C8	H8	173.2°	90.0°
C8	C9	C10	C19	177.5°	90.0°
C8	C9	C10	C11	179.3°	90.0°
C8	C9	C10	H10	0.7°	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	5.4°	90.0°
H8	C8	C9	C19	176.9°	90.0°
C9	C10	C11	H10	180.0°	90.0°
C9	C10	C11	C12	169.9°	90.0°
C9	C10	C11	H11	10.1°	90.0°
C10	C9	C19	H191	2.5°	90.0°
C10	C9	C19	H192	122.8°	90.0°
C10	C9	C19	H193	127.8°	90.0°
C19	C9	C10	C11	1.8°	90.0°
C19	C9	C10	H10	178.2°	90.0°
C9	C19	H191	H192	125.2°	90.0°
C9	C19	H191	H193	125.2°	90.0°
C9	C19	H192	H193	115.0°	90.0°
C10	C11	C12	H11	180.0°	90.0°
C10	C11	C12	C13	177.8°	90.0°
C10	C11	C12	H12	2.2°	90.0°
H10	C10	C11	C12	10.1°	90.0°
H10	C10	C11	H11	169.9°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C14	174.3°	90.0°
C11	C12	C13	C20	2.4°	90.0°
H11	C11	C12	C13	2.2°	90.0°
H11	C11	C12	H12	177.8°	90.0°
C12	C13	C14	C20	176.4°	90.0°
C12	C13	C14	C15	175.9°	90.0°
C12	C13	C14	H14	4.1°	90.0°
C12	C13	C20	H201	180.0°	90.0°
C12	C13	C20	H202	54.7°	90.0°
C12	C13	C20	H203	54.8°	90.0°
H12	C12	C13	C14	5.8°	90.0°
H12	C12	C13	C20	177.6°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C35	177.5°	90.0°
C13	C14	C15	H15	2.5°	90.0°
C14	C13	C20	H201	3.7°	90.0°
C14	C13	C20	H202	121.6°	90.0°
C14	C13	C20	H203	128.9°	90.0°
C20	C13	C14	C15	0.5°	90.0°
C20	C13	C14	H14	179.5°	90.0°
C13	C20	H201	H202	125.3°	90.0°
C13	C20	H201	H203	125.2°	90.0°
C13	C20	H202	H203	114.6°	90.0°
C14	C15	C35	H15	180.0°	90.0°
C14	C15	C35	C34	177.1°	90.0°
C14	C15	C35	H35	2.9°	90.0°
H14	C14	C15	C35	2.5°	90.0°
H14	C14	C15	H15	177.4°	90.0°
C15	C35	C34	C33	179.7°	90.0°
C15	C35	C34	H35	180.0°	90.0°
C15	C35	C34	H34	0.3°	90.0°
H15	C15	C35	C34	2.9°	90.0°
H15	C15	C35	H35	177.0°	90.0°
H161	C16	H162	H163	119.0°	90.0°
H171	C17	H172	H173	120.3°	90.0°
H181	C18	H182	H183	118.8°	90.0°
H191	C19	H192	H193	115.1°	90.0°
H201	C20	H202	H203	114.7°	90.0°
C22	C21	C26	C36	122.0°	90.0°
C22	C21	C26	C37	120.0°	90.0°
C22	C21	C36	C37	113.8°	90.0°
C21	C22	C23	H221	125.3°	90.0°
C21	C22	C23	H222	125.2°	90.0°
C21	C22	H221	H222	115.8°	90.0°
C21	C22	C23	C24	34.7°	90.0°
C21	C22	C23	O23	159.2°	90.0°
C21	C22	C23	H23	81.7°	90.0°
C22	C21	C26	C25	29.5°	90.0°
C22	C21	C26	C27	158.0°	90.0°
C22	C21	C26	H26	87.3°	90.0°
C22	C21	C36	H361	180.0°	90.0°
C22	C21	C36	H362	54.8°	90.0°
C22	C21	C36	H363	54.8°	90.0°
C22	C21	C37	H371	180.0°	90.0°
C22	C21	C37	H372	54.8°	90.0°
C22	C21	C37	H373	54.8°	90.0°
C26	C21	C36	C37	118.9°	90.0°
C26	C21	C22	C23	43.9°	90.0°
C26	C21	C22	H221	169.2°	90.0°
C26	C21	C22	H222	81.3°	90.0°
C21	C26	C25	C24	8.2°	90.0°
C21	C26	C25	C27	130.8°	90.0°
C21	C26	C25	H26	113.6°	90.0°
C21	C26	C25	C38	173.1°	90.0°
C21	C26	C27	H26	113.1°	90.0°
C21	C26	C27	C28	112.1°	90.0°
C21	C26	C27	H27	67.9°	90.0°
C26	C21	C36	H361	52.8°	90.0°
C26	C21	C36	H362	178.0°	90.0°
C26	C21	C36	H363	72.5°	90.0°
C26	C21	C37	H371	54.1°	90.0°
C26	C21	C37	H372	71.1°	90.0°
C26	C21	C37	H373	179.3°	90.0°
C36	C21	C22	C23	80.0°	90.0°
C36	C21	C22	H221	45.3°	90.0°
C36	C21	C22	H222	154.8°	90.0°
C36	C21	C26	C25	92.5°	90.0°
C36	C21	C26	C27	36.0°	90.0°
C36	C21	C26	H26	150.7°	90.0°
C21	C36	H361	H362	125.3°	90.0°
C21	C36	H361	H363	125.3°	90.0°
C21	C36	H362	H363	119.1°	90.0°
C36	C21	C37	H371	65.8°	90.0°
C36	C21	C37	H372	169.0°	90.0°
C36	C21	C37	H373	59.4°	90.0°
C37	C21	C22	C23	165.4°	90.0°
C37	C21	C22	H221	69.3°	90.0°
C37	C21	C22	H222	40.2°	90.0°
C37	C21	C26	C25	149.5°	90.0°
C37	C21	C26	C27	82.0°	90.0°
C37	C21	C26	H26	32.7°	90.0°
C37	C21	C36	H361	66.2°	90.0°
C37	C21	C36	H362	59.0°	90.0°
C37	C21	C36	H363	168.6°	90.0°
C21	C37	H371	H372	125.3°	90.0°
C21	C37	H371	H373	125.3°	90.0°
C21	C37	H372	H373	119.4°	90.0°
C23	C22	H221	H222	115.9°	90.0°
C22	C23	C24	O23	124.3°	90.0°
C22	C23	C24	H23	116.6°	90.0°
C22	C23	O23	H23	117.0°	90.0°
C22	C23	C24	C25	13.7°	90.0°
C22	C23	C24	H24	166.2°	90.0°
C22	C23	O23	H1	180.0°	90.0°
H221	C22	C23	C24	160.0°	90.0°
H221	C22	C23	O23	75.5°	90.0°
H221	C22	C23	H23	43.6°	90.0°
H222	C22	C23	C24	90.5°	90.0°
H222	C22	C23	O23	34.0°	90.0°
H222	C22	C23	H23	153.1°	90.0°
C24	C23	O23	H23	116.7°	90.0°
C23	C24	C25	H24	180.0°	90.0°
C23	C24	C25	C26	0.4°	90.0°
C23	C24	C25	C38	179.3°	90.0°
C24	C23	O23	H1	53.7°	90.0°
O23	C23	C24	C25	138.0°	90.0°
O23	C23	C24	H24	42.0°	90.0°
H23	C23	C24	C25	102.9°	90.0°
H23	C23	C24	H24	77.1°	90.0°
H23	C23	O23	H1	63.0°	90.0°
C24	C25	C26	C38	178.8°	90.0°
C24	C25	C26	C27	139.0°	90.0°
C24	C25	C26	H26	105.5°	90.0°
C24	C25	C38	H381	180.0°	90.0°
C24	C25	C38	H382	54.8°	90.0°
C24	C25	C38	H383	54.8°	90.0°
H24	C24	C25	C26	179.6°	90.0°
H24	C24	C25	C38	0.7°	90.0°
C25	C26	C27	H26	117.2°	90.0°
C25	C26	C27	C28	118.2°	90.0°
C25	C26	C27	H27	61.8°	90.0°
C26	C25	C38	H381	1.1°	90.0°
C26	C25	C38	H382	126.3°	90.0°
C26	C25	C38	H383	124.1°	90.0°
C38	C25	C26	C27	42.2°	90.0°
C38	C25	C26	H26	73.3°	90.0°
C25	C38	H381	H382	125.3°	90.0°
C25	C38	H381	H383	125.2°	90.0°
C25	C38	H382	H383	116.6°	90.0°
C26	C27	C28	H27	180.0°	90.0°
C26	C27	C28	C29	166.8°	90.0°
C26	C27	C28	H28	13.2°	90.0°
H26	C26	C27	C28	1.0°	90.0°
H26	C26	C27	H27	179.0°	90.0°
C27	C28	C29	H28	180.0°	90.0°
C27	C28	C29	C30	179.6°	90.0°
C27	C28	C29	C39	0.0°	90.0°
H27	C27	C28	C29	13.2°	90.0°
H27	C27	C28	H28	166.8°	90.0°
C28	C29	C30	C39	179.6°	90.0°
C28	C29	C30	C31	179.8°	90.0°
C28	C29	C30	H30	0.1°	90.0°
C28	C29	C39	H391	180.0°	90.0°
C28	C29	C39	H392	54.8°	90.0°
C28	C29	C39	H393	54.8°	90.0°
H28	C28	C29	C30	0.4°	90.0°
H28	C28	C29	C39	180.0°	90.0°
C29	C30	C31	H30	180.0°	90.0°
C29	C30	C31	C32	178.5°	90.0°
C29	C30	C31	H31	1.6°	90.0°
C30	C29	C39	H391	0.4°	90.0°
C30	C29	C39	H392	125.7°	90.0°
C30	C29	C39	H393	124.8°	90.0°
C39	C29	C30	C31	0.6°	90.0°
C39	C29	C30	H30	179.4°	90.0°
C29	C39	H391	H392	125.2°	90.0°
C29	C39	H391	H393	125.2°	90.0°
C29	C39	H392	H393	114.9°	90.0°
C30	C31	C32	H31	180.0°	90.0°
C30	C31	C32	C33	179.0°	90.0°
C30	C31	C32	H32	1.0°	90.0°
H30	C30	C31	C32	1.6°	90.0°
H30	C30	C31	H31	178.4°	90.0°
C31	C32	C33	H32	180.0°	90.0°
C31	C32	C33	C34	179.3°	90.0°
C31	C32	C33	C40	0.4°	90.0°
H31	C31	C32	C33	1.0°	90.0°
H31	C31	C32	H32	179.0°	90.0°
C32	C33	C34	C40	179.7°	90.0°
C32	C33	C34	C35	179.6°	90.0°
C32	C33	C34	H34	0.5°	90.0°
C32	C33	C40	H401	180.0°	90.0°
C32	C33	C40	H402	54.8°	90.0°
C32	C33	C40	H403	54.8°	90.0°
H32	C32	C33	C34	0.7°	90.0°
H32	C32	C33	C40	179.6°	90.0°
C33	C34	C35	H34	180.0°	90.0°
C33	C34	C35	H35	0.3°	90.0°
C34	C33	C40	H401	0.3°	90.0°
C34	C33	C40	H402	125.5°	90.0°
C34	C33	C40	H403	125.0°	90.0°
C40	C33	C34	C35	0.7°	90.0°
C40	C33	C34	H34	179.3°	90.0°
C33	C40	H401	H402	125.3°	90.0°
C33	C40	H401	H403	125.2°	90.0°
C33	C40	H402	H403	114.9°	90.0°
H34	C34	C35	H35	179.7°	90.0°
H361	C36	H362	H363	119.1°	90.0°
H371	C37	H372	H373	119.3°	90.0°
H381	C38	H382	H383	116.5°	90.0°
H391	C39	H392	H393	114.9°	90.0°
H401	C40	H402	H403	114.9°	90.0°

Definition date:	2003-12-22
Last modified:	2020-05-27
Release status:	REL
Processing site:	RCSB
Derived from:	1RWT