A1J2J

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C5	doub	1.21Å	1.21Å
C4M	O4	sing	1.43Å	1.43Å
C7	C8	sing	1.51Å	1.50Å
C7	C6	sing	1.51Å	1.50Å
C8	C9	doub	1.31Å	1.33Å
C5	C6	sing	1.48Å	1.49Å
C5	C4	sing	1.48Å	1.48Å
O4	C4	sing	1.36Å	1.34Å
C9	C11	sing	1.51Å	1.50Å
C9	C10	sing	1.51Å	1.50Å
C6	C1	doub	1.34Å	1.34Å
C4	C3	doub	1.35Å	1.34Å
C1	C1M	sing	1.51Å	1.50Å
C1	C2	sing	1.48Å	1.48Å
C3	C2	sing	1.48Å	1.49Å
C3	O3	sing	1.36Å	1.34Å
C3M	O3	sing	1.43Å	1.43Å
C2	O2	doub	1.21Å	1.21Å
C1M	H1	sing	1.09Å	1.10Å
C1M	H2	sing	1.09Å	1.10Å
C1M	H3	sing	1.09Å	1.10Å
C3M	H4	sing	1.09Å	1.10Å
C3M	H5	sing	1.09Å	1.10Å
C3M	H6	sing	1.09Å	1.10Å
C4M	H7	sing	1.09Å	1.10Å
C4M	H8	sing	1.09Å	1.10Å
C4M	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.08Å	1.08Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C11	C12	sing	1.53Å	234.95Å
C12	C13	sing	1.51Å	0.00Å
C12	H18	sing	1.09Å	0.00Å
C13	H19	sing	1.08Å	0.00Å
C13	C14	doub	1.31Å	0.00Å
C12	H21	sing	1.09Å	0.00Å
C14	C16	sing	1.51Å	0.00Å
C16	H22	sing	1.09Å	0.00Å
C16	H23	sing	1.09Å	0.00Å
C14	C15	sing	1.51Å	0.00Å
C15	H20	sing	1.09Å	0.00Å
C15	H25	sing	1.09Å	0.00Å
C15	H26	sing	1.09Å	0.00Å
C16	C17	sing	1.53Å	0.00Å
C17	C18	sing	1.51Å	0.00Å
C18	C19	doub	1.31Å	0.00Å
C17	H24	sing	1.09Å	0.00Å
C17	H27	sing	1.09Å	0.00Å
C18	H28	sing	1.08Å	0.00Å
C19	C21	sing	1.51Å	0.00Å
C19	C20	sing	1.51Å	0.00Å
C21	H29	sing	1.09Å	0.00Å
C21	H30	sing	1.09Å	0.00Å
C20	H32	sing	1.09Å	0.00Å
C20	H33	sing	1.09Å	0.00Å
C20	H34	sing	1.09Å	0.00Å
C21	C22	sing	1.53Å	0.00Å
C22	C23	sing	1.51Å	0.00Å
C23	C24	doub	1.31Å	0.00Å
C22	H31	sing	1.09Å	0.00Å
C22	H35	sing	1.09Å	0.00Å
C23	H36	sing	1.08Å	0.00Å
C24	C26	sing	1.51Å	0.00Å
C24	C25	sing	1.51Å	0.00Å
C26	H37	sing	1.09Å	0.00Å
C26	H38	sing	1.09Å	0.00Å
C25	H40	sing	1.09Å	0.00Å
C25	H41	sing	1.09Å	0.00Å
C25	H42	sing	1.09Å	0.00Å
C26	C27	sing	1.53Å	0.00Å
C27	C28	sing	1.51Å	0.00Å
C28	C29	doub	1.31Å	0.00Å
C29	C31	sing	1.51Å	0.00Å
C27	H39	sing	1.09Å	0.00Å
C27	H43	sing	1.09Å	0.00Å
C28	H44	sing	1.08Å	0.00Å
C31	H48	sing	1.09Å	0.00Å
C31	H49	sing	1.09Å	0.00Å
C29	C30	sing	1.51Å	0.00Å
C30	H45	sing	1.09Å	0.00Å
C30	H46	sing	1.09Å	0.00Å
C30	H47	sing	1.09Å	0.00Å
C31	C32	sing	1.53Å	0.00Å
C32	C33	sing	1.51Å	0.00Å
C33	C34	doub	1.31Å	0.00Å
C34	C35	sing	1.51Å	0.00Å
C32	H50	sing	1.09Å	0.00Å
C32	H51	sing	1.09Å	0.00Å
C33	H52	sing	1.08Å	0.00Å
C35	H56	sing	1.09Å	0.00Å
C35	H57	sing	1.09Å	0.00Å
C35	H58	sing	1.09Å	0.00Å
C34	C36	sing	1.51Å	0.00Å
C36	H53	sing	1.09Å	0.00Å
C36	H54	sing	1.09Å	0.00Å
C36	H55	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C5	C6	121.8°	120.0°
O5	C5	C4	119.2°	120.0°
C4M	O4	C4	115.7°	117.0°
O4	C4M	H7	109.5°	109.5°
O4	C4M	H8	109.5°	109.5°
O4	C4M	H9	109.5°	109.5°
C8	C7	C6	110.9°	109.5°
C7	C8	C9	127.9°	120.1°
C8	C7	H10	109.1°	109.4°
C8	C7	H11	109.1°	109.5°
C7	C8	H12	116.0°	120.0°
C7	C6	C5	116.7°	119.9°
C7	C6	C1	122.7°	119.9°
C6	C7	H10	109.1°	109.5°
C6	C7	H11	109.1°	109.5°
C8	C9	C11	125.2°	120.0°
C8	C9	C10	120.4°	119.9°
C9	C8	H12	116.1°	120.0°
C6	C5	C4	119.0°	120.0°
C5	C6	C1	120.6°	120.1°
C5	C4	O4	117.2°	120.1°
C5	C4	C3	120.5°	119.8°
O4	C4	C3	122.4°	120.1°
C11	C9	C10	114.4°	120.0°
C9	C11	H16	122.5°	109.5°
C9	C11	H17	122.5°	109.4°
C9	C11	C12	42.4°	109.5°
C9	C10	H13	109.5°	109.5°
C9	C10	H14	109.5°	109.5°
C9	C10	H15	109.5°	109.5°
C6	C1	C1M	123.0°	119.9°
C6	C1	C2	120.3°	120.1°
C4	C3	C2	120.6°	119.9°
C4	C3	O3	121.8°	120.1°
C1M	C1	C2	116.7°	120.0°
C1	C1M	H1	109.5°	109.5°
C1	C1M	H2	109.5°	109.5°
C1	C1M	H3	109.5°	109.5°
C1	C2	C3	119.1°	120.0°
C1	C2	O2	121.3°	120.0°
C2	C3	O3	117.6°	120.0°
C3	C2	O2	119.6°	120.0°
C3	O3	C3M	115.7°	117.0°
O3	C3M	H4	109.5°	109.5°
O3	C3M	H5	109.4°	109.5°
O3	C3M	H6	109.5°	109.4°
H1	C1M	H2	109.5°	109.4°
H1	C1M	H3	109.4°	109.4°
H2	C1M	H3	109.5°	109.5°
H4	C3M	H5	109.5°	109.6°
H4	C3M	H6	109.4°	109.5°
H5	C3M	H6	109.5°	109.4°
H7	C4M	H8	109.4°	109.5°
H7	C4M	H9	109.5°	109.5°
H8	C4M	H9	109.5°	109.4°
H10	C7	H11	109.5°	109.5°
H13	C10	H14	109.4°	109.4°
H13	C10	H15	109.4°	109.5°
H14	C10	H15	109.5°	109.4°
H16	C11	H17	109.5°	109.5°
H16	C11	C12	122.6°	109.5°
H17	C11	C12	122.6°	109.5°
C11	C12	C13	90.0°	109.4°
C11	C12	H18	90.0°	109.5°
C11	C12	H21	90.0°	109.5°
C13	C12	H18	90.0°	109.5°
C12	C13	H19	90.0°	119.9°
C12	C13	C14	90.0°	120.0°
C13	C12	H21	90.0°	109.5°
H18	C12	H21	90.0°	109.5°
H19	C13	C14	90.0°	120.1°
C13	C14	C16	90.0°	120.0°
C13	C14	C15	90.0°	120.0°
C14	C16	H22	90.0°	109.4°
C14	C16	H23	90.0°	109.5°
C16	C14	C15	90.0°	120.0°
C14	C16	C17	90.0°	109.5°
H22	C16	H23	90.0°	109.4°
H22	C16	C17	90.0°	109.5°
H23	C16	C17	90.0°	109.5°
C14	C15	H20	90.0°	109.4°
C14	C15	H25	90.0°	109.5°
C14	C15	H26	90.0°	109.5°
H20	C15	H25	90.0°	109.5°
H20	C15	H26	90.0°	109.5°
H25	C15	H26	90.0°	109.5°
C16	C17	C18	90.0°	109.4°
C16	C17	H24	90.0°	109.5°
C16	C17	H27	90.0°	109.5°
C17	C18	C19	90.0°	120.0°
C18	C17	H24	90.0°	109.5°
C18	C17	H27	90.0°	109.5°
C17	C18	H28	90.0°	120.0°
C19	C18	H28	90.0°	120.0°
C18	C19	C21	90.0°	120.0°
C18	C19	C20	90.0°	120.0°
H24	C17	H27	90.0°	109.5°
C21	C19	C20	90.0°	120.0°
C19	C21	H29	90.0°	109.5°
C19	C21	H30	90.0°	109.5°
C19	C21	C22	90.0°	109.5°
C19	C20	H32	90.0°	109.5°
C19	C20	H33	90.0°	109.5°
C19	C20	H34	90.0°	109.4°
H29	C21	H30	90.0°	109.4°
H29	C21	C22	90.0°	109.5°
H30	C21	C22	90.0°	109.5°
H32	C20	H33	90.0°	109.5°
H32	C20	H34	90.0°	109.5°
H33	C20	H34	90.0°	109.5°
C21	C22	C23	90.0°	109.4°
C21	C22	H31	90.0°	109.4°
C21	C22	H35	90.0°	109.4°
C22	C23	C24	90.0°	120.0°
C23	C22	H31	90.0°	109.5°
C23	C22	H35	90.0°	109.5°
C22	C23	H36	90.0°	120.0°
C24	C23	H36	90.0°	120.0°
C23	C24	C26	90.0°	120.0°
C23	C24	C25	90.0°	120.0°
H31	C22	H35	90.0°	109.5°
C26	C24	C25	90.0°	120.0°
C24	C26	H37	90.0°	109.5°
C24	C26	H38	90.0°	109.4°
C24	C26	C27	90.0°	109.5°
C24	C25	H40	90.0°	109.4°
C24	C25	H41	90.0°	109.5°
C24	C25	H42	90.0°	109.4°
H37	C26	H38	90.0°	109.5°
H37	C26	C27	90.0°	109.5°
H38	C26	C27	90.0°	109.5°
H40	C25	H41	90.0°	109.5°
H40	C25	H42	90.0°	109.4°
H41	C25	H42	90.0°	109.5°
C26	C27	C28	90.0°	109.5°
C26	C27	H39	90.0°	109.5°
C26	C27	H43	90.0°	109.5°
C27	C28	C29	90.0°	120.0°
C28	C27	H39	90.0°	109.4°
C28	C27	H43	90.0°	109.4°
C27	C28	H44	90.0°	120.0°
C28	C29	C31	90.0°	120.0°
C29	C28	H44	90.0°	120.0°
C28	C29	C30	90.0°	120.0°
C29	C31	H48	90.0°	109.5°
C29	C31	H49	90.0°	109.5°
C31	C29	C30	90.0°	120.0°
C29	C31	C32	90.0°	109.4°
H39	C27	H43	90.0°	109.5°
H48	C31	H49	90.0°	109.5°
H48	C31	C32	90.0°	109.5°
H49	C31	C32	90.0°	109.5°
C29	C30	H45	90.0°	109.5°
C29	C30	H46	90.0°	109.4°
C29	C30	H47	90.0°	109.5°
H45	C30	H46	90.0°	109.5°
H45	C30	H47	90.0°	109.5°
H46	C30	H47	90.0°	109.5°
C31	C32	C33	90.0°	109.4°
C31	C32	H50	90.0°	109.5°
C31	C32	H51	90.0°	109.5°
C32	C33	C34	90.0°	120.0°
C33	C32	H50	90.0°	109.5°
C33	C32	H51	90.0°	109.5°
C32	C33	H52	90.0°	120.0°
C33	C34	C35	90.0°	120.0°
C34	C33	H52	90.0°	120.0°
C33	C34	C36	90.0°	120.0°
C34	C35	H56	90.0°	109.5°
C34	C35	H57	90.0°	109.5°
C34	C35	H58	90.0°	109.5°
C35	C34	C36	90.0°	120.0°
H50	C32	H51	90.0°	109.5°
H56	C35	H57	90.0°	109.5°
H56	C35	H58	90.0°	109.4°
H57	C35	H58	90.0°	109.4°
C34	C36	H53	90.0°	109.4°
C34	C36	H54	90.0°	109.5°
C34	C36	H55	90.0°	109.5°
H53	C36	H54	90.0°	109.5°
H53	C36	H55	90.0°	109.5°
H54	C36	H55	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C5	C6	C7	0.1°	0.5°
O5	C5	C6	C4	180.0°	179.4°
O5	C5	C4	O4	0.2°	0.3°
O5	C5	C6	C1	179.9°	180.0°
O5	C5	C4	C3	179.9°	179.7°
C4M	O4	C4	C5	86.1°	65.1°
C4M	O4	C4	C3	94.0°	114.9°
O4	C4M	H7	H8	120.0°	120.0°
O4	C4M	H7	H9	120.0°	120.0°
O4	C4M	H8	H9	120.0°	120.0°
C8	C7	C6	H10	120.2°	119.9°
C8	C7	C6	H11	120.2°	120.0°
C7	C8	C9	H12	180.0°	180.0°
C8	C7	C6	C5	71.2°	85.0°
C7	C8	C9	C11	179.9°	177.1°
C7	C8	C9	C10	0.1°	2.9°
C8	C7	C6	C1	109.1°	94.5°
C8	C7	H10	H11	119.3°	120.0°
C6	C7	C8	C9	120.3°	121.6°
C7	C6	C5	C1	179.8°	179.5°
C7	C6	C5	C4	179.9°	180.0°
C7	C6	C1	C1M	0.1°	0.2°
C7	C6	C1	C2	179.9°	180.0°
C6	C7	H10	H11	119.3°	120.1°
C6	C7	C8	H12	59.7°	58.4°
C8	C9	C11	C10	180.0°	180.0°
C9	C8	C7	H10	119.4°	1.7°
C9	C8	C7	H11	0.1°	118.3°
C8	C9	C10	H13	180.0°	83.8°
C8	C9	C10	H14	60.0°	156.2°
C8	C9	C10	H15	60.0°	36.2°
C8	C9	C11	H16	2.5°	145.0°
C8	C9	C11	H17	153.7°	25.0°
C8	C9	C11	C12	101.9°	95.0°
C6	C5	C4	O4	179.8°	179.8°
C6	C5	C4	C3	0.1°	0.3°
C5	C6	C1	C1M	179.9°	179.7°
C5	C6	C1	C2	0.1°	0.5°
C5	C6	C7	H10	49.1°	35.0°
C5	C6	C7	H11	168.6°	155.0°
C5	C4	O4	C3	179.9°	180.0°
C4	C5	C6	C1	0.1°	0.5°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	O3	179.9°	180.0°
O4	C4	C3	C2	179.8°	180.0°
O4	C4	C3	O3	0.2°	0.0°
C4	O4	C4M	H7	180.0°	175.5°
C4	O4	C4M	H8	60.0°	64.5°
C4	O4	C4M	H9	60.0°	55.5°
C11	C9	C8	H12	0.1°	2.9°
C11	C9	C10	H13	0.0°	96.2°
C11	C9	C10	H14	120.0°	23.7°
C11	C9	C10	H15	120.0°	143.7°
C9	C11	H16	H17	154.5°	120.0°
C9	C11	H16	C12	50.8°	120.0°
C9	C11	H17	C12	50.8°	120.0°
C9	C11	C12	C13	90.0°	180.0°
C9	C11	C12	H18	90.0°	60.0°
C9	C11	C12	H21	90.0°	60.0°
C10	C9	C8	H12	180.0°	177.1°
C9	C10	H13	H14	120.0°	120.0°
C9	C10	H13	H15	120.0°	120.1°
C9	C10	H14	H15	120.0°	120.0°
C10	C9	C11	H16	177.5°	35.0°
C10	C9	C11	H17	26.3°	155.0°
C10	C9	C11	C12	78.1°	85.0°
C6	C1	C1M	C2	180.0°	179.7°
C6	C1	C2	C3	0.1°	0.3°
C6	C1	C2	O2	180.0°	179.7°
C6	C1	C1M	H1	180.0°	179.7°
C6	C1	C1M	H2	60.0°	60.3°
C6	C1	C1M	H3	60.0°	59.8°
C1	C6	C7	H10	130.7°	145.5°
C1	C6	C7	H11	11.2°	25.5°
C4	C3	C2	C1	0.1°	0.0°
C4	C3	C2	O3	180.0°	180.0°
C4	C3	O3	C3M	98.1°	113.2°
C4	C3	C2	O2	180.0°	180.0°
C1M	C1	C2	C3	179.9°	180.0°
C1M	C1	C2	O2	0.0°	0.0°
C1	C1M	H1	H2	120.0°	120.0°
C1	C1M	H1	H3	120.0°	120.0°
C1	C1M	H2	H3	120.0°	120.1°
C1	C2	C3	O2	179.9°	180.0°
C1	C2	C3	O3	179.9°	180.0°
C2	C1	C1M	H1	0.0°	0.0°
C2	C1	C1M	H2	120.0°	120.0°
C2	C1	C1M	H3	120.0°	119.9°
C2	C3	O3	C3M	82.0°	66.9°
O3	C3	C2	O2	0.0°	0.0°
C3	O3	C3M	H4	180.0°	65.4°
C3	O3	C3M	H5	60.0°	174.5°
C3	O3	C3M	H6	60.0°	54.6°
O3	C3M	H4	H5	120.0°	120.1°
O3	C3M	H4	H6	120.0°	119.9°
O3	C3M	H5	H6	120.0°	119.9°
H1	C1M	H2	H3	120.0°	120.0°
H4	C3M	H5	H6	120.0°	120.0°
H7	C4M	H8	H9	120.0°	120.0°
H10	C7	C8	H12	60.6°	178.3°
H11	C7	C8	H12	179.9°	61.7°
H13	C10	H14	H15	120.0°	120.0°
H16	C11	H17	C12	154.6°	120.0°
H16	C11	C12	C13	90.0°	60.0°
H16	C11	C12	H18	90.0°	180.0°
H16	C11	C12	H21	90.0°	60.0°
H17	C11	C12	C13	90.0°	60.0°
H17	C11	C12	H18	90.0°	60.0°
H17	C11	C12	H21	90.0°	180.0°
C11	C12	C13	H18	90.0°	120.0°
C11	C12	C13	H21	90.0°	120.0°
C11	C12	H18	H21	90.0°	120.0°
C11	C12	C13	H19	90.0°	59.8°
C11	C12	C13	C14	90.0°	120.3°
C13	C12	H18	H21	90.0°	120.0°
C12	C13	H19	C14	90.0°	179.9°
C12	C13	C14	C16	90.0°	176.1°
C12	C13	C14	C15	90.0°	4.0°
H18	C12	C13	H19	90.0°	179.7°
H18	C12	C13	C14	90.0°	0.3°
H19	C13	C12	H21	90.0°	60.2°
H19	C13	C14	C16	90.0°	3.8°
H19	C13	C14	C15	90.0°	176.1°
C14	C13	C12	H21	90.0°	119.7°
C13	C14	C16	C15	90.0°	179.9°
C13	C14	C16	H22	90.0°	145.0°
C13	C14	C16	H23	90.0°	25.1°
C13	C14	C15	H20	90.0°	83.9°
C13	C14	C15	H25	90.0°	156.1°
C13	C14	C15	H26	90.0°	36.1°
C13	C14	C16	C17	90.0°	95.0°
C14	C16	H22	H23	90.0°	120.0°
C14	C16	H22	C17	90.0°	120.0°
C14	C16	H23	C17	90.0°	120.0°
C16	C14	C15	H20	90.0°	96.2°
C16	C14	C15	H25	90.0°	23.8°
C16	C14	C15	H26	90.0°	143.8°
C14	C16	C17	C18	90.0°	180.0°
C14	C16	C17	H24	90.0°	60.0°
C14	C16	C17	H27	90.0°	60.0°
H22	C16	H23	C17	90.0°	120.0°
H22	C16	C14	C15	90.0°	35.1°
H22	C16	C17	C18	90.0°	60.0°
H22	C16	C17	H24	90.0°	180.0°
H22	C16	C17	H27	90.0°	60.0°
H23	C16	C14	C15	90.0°	155.0°
H23	C16	C17	C18	90.0°	60.0°
H23	C16	C17	H24	90.0°	60.0°
H23	C16	C17	H27	90.0°	180.0°
C14	C15	H20	H25	90.0°	120.0°
C14	C15	H20	H26	90.0°	120.0°
C14	C15	H25	H26	90.0°	120.0°
C15	C14	C16	C17	90.0°	84.9°
H20	C15	H25	H26	90.0°	120.1°
C16	C17	C18	H24	90.0°	120.0°
C16	C17	C18	H27	90.0°	120.0°
C16	C17	C18	C19	90.0°	119.7°
C16	C17	H24	H27	90.0°	120.0°
C16	C17	C18	H28	90.0°	60.4°
C17	C18	C19	H28	90.0°	179.9°
C18	C17	H24	H27	90.0°	120.0°
C17	C18	C19	C21	90.0°	174.4°
C17	C18	C19	C20	90.0°	5.6°
C19	C18	C17	H24	90.0°	0.3°
C19	C18	C17	H27	90.0°	120.4°
C18	C19	C21	C20	90.0°	180.0°
C18	C19	C21	H29	90.0°	145.0°
C18	C19	C21	H30	90.0°	25.0°
C18	C19	C20	H32	90.0°	84.1°
C18	C19	C20	H33	90.0°	155.8°
C18	C19	C20	H34	90.0°	35.9°
C18	C19	C21	C22	90.0°	95.0°
H24	C17	C18	H28	90.0°	179.6°
H27	C17	C18	H28	90.0°	59.6°
H28	C18	C19	C21	90.0°	5.5°
H28	C18	C19	C20	90.0°	174.5°
C19	C21	H29	H30	90.0°	120.0°
C19	C21	H29	C22	90.0°	120.0°
C19	C21	H30	C22	90.0°	120.0°
C21	C19	C20	H32	90.0°	95.9°
C21	C19	C20	H33	90.0°	24.2°
C21	C19	C20	H34	90.0°	144.1°
C19	C21	C22	C23	90.0°	180.0°
C19	C21	C22	H31	90.0°	60.0°
C19	C21	C22	H35	90.0°	60.0°
C20	C19	C21	H29	90.0°	35.0°
C20	C19	C21	H30	90.0°	155.0°
C19	C20	H32	H33	90.0°	120.0°
C19	C20	H32	H34	90.0°	120.0°
C19	C20	H33	H34	90.0°	120.0°
C20	C19	C21	C22	90.0°	85.0°
H29	C21	H30	C22	90.0°	120.0°
H29	C21	C22	C23	90.0°	60.0°
H29	C21	C22	H31	90.0°	180.0°
H29	C21	C22	H35	90.0°	60.0°
H30	C21	C22	C23	90.0°	59.9°
H30	C21	C22	H31	90.0°	60.0°
H30	C21	C22	H35	90.0°	180.0°
H32	C20	H33	H34	90.0°	120.0°
C21	C22	C23	H31	90.0°	119.9°
C21	C22	C23	H35	90.0°	120.0°
C21	C22	C23	C24	90.0°	120.8°
C21	C22	H31	H35	90.0°	119.9°
C21	C22	C23	H36	90.0°	59.3°
C22	C23	C24	H36	90.0°	179.9°
C23	C22	H31	H35	90.0°	120.1°
C22	C23	C24	C26	90.0°	173.4°
C22	C23	C24	C25	90.0°	6.7°
C24	C23	C22	H31	90.0°	0.9°
C24	C23	C22	H35	90.0°	119.3°
C23	C24	C26	C25	90.0°	179.9°
C23	C24	C26	H37	90.0°	145.0°
C23	C24	C26	H38	90.0°	25.0°
C23	C24	C25	H40	90.0°	84.5°
C23	C24	C25	H41	90.0°	155.4°
C23	C24	C25	H42	90.0°	35.4°
C23	C24	C26	C27	90.0°	94.9°
H31	C22	C23	H36	90.0°	179.3°
H35	C22	C23	H36	90.0°	60.6°
H36	C23	C24	C26	90.0°	6.5°
H36	C23	C24	C25	90.0°	173.4°
C24	C26	H37	H38	90.0°	119.9°
C24	C26	H37	C27	90.0°	120.0°
C24	C26	H38	C27	90.0°	120.0°
C26	C24	C25	H40	90.0°	95.6°
C26	C24	C25	H41	90.0°	24.5°
C26	C24	C25	H42	90.0°	144.5°
C24	C26	C27	C28	90.0°	180.0°
C24	C26	C27	H39	90.0°	60.0°
C24	C26	C27	H43	90.0°	60.0°
C25	C24	C26	H37	90.0°	35.1°
C25	C24	C26	H38	90.0°	155.1°
C24	C25	H40	H41	90.0°	120.0°
C24	C25	H40	H42	90.0°	119.9°
C24	C25	H41	H42	90.0°	120.0°
C25	C24	C26	C27	90.0°	85.0°
H37	C26	H38	C27	90.0°	120.1°
H37	C26	C27	C28	90.0°	60.0°
H37	C26	C27	H39	90.0°	180.0°
H37	C26	C27	H43	90.0°	60.0°
H38	C26	C27	C28	90.0°	60.1°
H38	C26	C27	H39	90.0°	59.9°
H38	C26	C27	H43	90.0°	180.0°
H40	C25	H41	H42	90.0°	120.0°
C26	C27	C28	H39	90.0°	120.1°
C26	C27	C28	H43	90.0°	120.0°
C26	C27	C28	C29	90.0°	119.5°
C26	C27	H39	H43	90.0°	120.1°
C26	C27	C28	H44	90.0°	60.4°
C27	C28	C29	H44	90.0°	179.9°
C27	C28	C29	C31	90.0°	175.6°
C28	C27	H39	H43	90.0°	119.9°
C27	C28	C29	C30	90.0°	4.3°
C28	C29	C31	C30	90.0°	179.9°
C29	C28	C27	H39	90.0°	0.6°
C29	C28	C27	H43	90.0°	120.5°
C28	C29	C31	H48	90.0°	145.0°
C28	C29	C31	H49	90.0°	25.0°
C28	C29	C30	H45	90.0°	89.2°
C28	C29	C30	H46	90.0°	150.8°
C28	C29	C30	H47	90.0°	30.8°
C28	C29	C31	C32	90.0°	95.0°
C31	C29	C28	H44	90.0°	4.5°
C29	C31	H48	H49	90.0°	120.0°
C29	C31	H48	C32	90.0°	119.9°
C29	C31	H49	C32	90.0°	120.0°
C31	C29	C30	H45	90.0°	90.7°
C31	C29	C30	H46	90.0°	29.3°
C31	C29	C30	H47	90.0°	149.3°
C29	C31	C32	C33	90.0°	180.0°
C29	C31	C32	H50	90.0°	60.0°
C29	C31	C32	H51	90.0°	60.0°
H39	C27	C28	H44	90.0°	179.5°
H43	C27	C28	H44	90.0°	59.6°
H44	C28	C29	C30	90.0°	175.6°
H48	C31	H49	C32	90.0°	120.0°
H48	C31	C29	C30	90.0°	35.0°
H48	C31	C32	C33	90.0°	60.0°
H48	C31	C32	H50	90.0°	180.0°
H48	C31	C32	H51	90.0°	59.9°
H49	C31	C29	C30	90.0°	155.0°
H49	C31	C32	C33	90.0°	60.0°
H49	C31	C32	H50	90.0°	60.0°
H49	C31	C32	H51	90.0°	180.0°
C29	C30	H45	H46	90.0°	120.0°
C29	C30	H45	H47	90.0°	120.0°
C29	C30	H46	H47	90.0°	120.0°
C30	C29	C31	C32	90.0°	85.0°
H45	C30	H46	H47	90.0°	120.0°
C31	C32	C33	H50	90.0°	120.0°
C31	C32	C33	H51	90.0°	120.0°
C31	C32	C33	C34	90.0°	120.4°
C31	C32	H50	H51	90.0°	120.1°
C31	C32	C33	H52	90.0°	59.7°
C32	C33	C34	H52	90.0°	179.9°
C32	C33	C34	C35	90.0°	6.9°
C33	C32	H50	H51	90.0°	120.0°
C32	C33	C34	C36	90.0°	173.1°
C33	C34	C35	C36	90.0°	180.0°
C34	C33	C32	H50	90.0°	0.4°
C34	C33	C32	H51	90.0°	119.7°
C33	C34	C35	H56	90.0°	86.3°
C33	C34	C35	H57	90.0°	153.7°
C33	C34	C35	H58	90.0°	33.7°
C33	C34	C36	H53	90.0°	60.0°
C33	C34	C36	H54	90.0°	180.0°
C33	C34	C36	H55	90.0°	60.0°
C35	C34	C33	H52	90.0°	173.2°
C34	C35	H56	H57	90.0°	120.1°
C34	C35	H56	H58	90.0°	120.0°
C34	C35	H57	H58	90.0°	120.0°
C35	C34	C36	H53	90.0°	120.0°
C35	C34	C36	H54	90.0°	0.1°
C35	C34	C36	H55	90.0°	120.0°
H50	C32	C33	H52	90.0°	179.7°
H51	C32	C33	H52	90.0°	60.3°
H52	C33	C34	C36	90.0°	6.8°
H56	C35	H57	H58	90.0°	119.9°
H56	C35	C34	C36	90.0°	93.7°
H57	C35	C34	C36	90.0°	26.4°
H58	C35	C34	C36	90.0°	146.3°
C34	C36	H53	H54	90.0°	120.0°
C34	C36	H53	H55	90.0°	120.0°
C34	C36	H54	H55	90.0°	120.0°
H53	C36	H54	H55	90.0°	120.0°

Release date:	2026-03-18
Definition date:	2026-03-11
Last modified:	2026-03-13
Release status:	REL
Processing site:	PDBE
Derived from:	9QDL