A1JMH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.52Å
C1	C11	sing	1.54Å	1.56Å
C1	C16	sing	1.53Å	1.53Å
C2	O1	sing	1.42Å	1.44Å
O1	C3	sing	1.32Å	1.32Å
C3	O2	doub	1.21Å	1.20Å
C3	C4	sing	1.52Å	1.51Å
C4	C5	sing	1.52Å	1.53Å
C4	C9	sing	1.49Å	1.56Å
C5	C6	sing	1.53Å	1.52Å
C6	O3	sing	1.43Å	1.43Å
C6	C7	sing	1.52Å	1.51Å
C7	O4	sing	1.44Å	1.43Å
C7	C8	sing	1.53Å	1.52Å
C8	C9	sing	1.53Å	1.54Å
C9	C10	sing	1.52Å	1.53Å
C9	C11	sing	1.50Å	1.58Å
C11	C12	sing	1.53Å	1.54Å
C12	C13	sing	1.53Å	1.53Å
C13	C14	sing	1.52Å	1.53Å
C14	C15	sing	1.53Å	1.54Å
C14	C16	sing	1.54Å	1.55Å
C14	C19	sing	1.54Å	1.56Å
C16	C17	sing	1.53Å	1.53Å
C17	C18	sing	1.55Å	1.54Å
C18	C19	sing	1.55Å	1.56Å
C19	C20	sing	1.53Å	1.54Å
C20	C21	sing	1.53Å	1.53Å
C20	C22	sing	1.53Å	1.54Å
C22	O5	sing	1.43Å	1.43Å
C22	C23	sing	1.53Å	1.53Å
C23	O6	sing	1.43Å	1.43Å
C23	C24	sing	1.53Å	1.54Å
C24	C25	sing	1.53Å	1.53Å
C24	C27	sing	1.53Å	1.54Å
C25	C26	sing	1.53Å	1.52Å
C27	C28	sing	1.53Å	1.52Å
C27	C29	sing	1.53Å	1.52Å
C11	H16	sing	1.11Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C5	H6	sing	1.08Å	1.10Å
C5	H5	sing	1.10Å	1.10Å
C1	H1	sing	1.08Å	1.10Å
C12	H17	sing	1.10Å	1.10Å
C12	H18	sing	1.08Å	1.10Å
C19	H29	sing	1.09Å	1.10Å
C6	H7	sing	1.09Å	1.10Å
C18	H27	sing	1.09Å	1.10Å
C18	H28	sing	1.09Å	1.10Å
C21	H33	sing	1.09Å	1.10Å
C21	H31	sing	1.09Å	1.10Å
C21	H32	sing	1.09Å	1.10Å
C20	H30	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C10	H15	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C16	H24	sing	1.10Å	1.10Å
C17	H25	sing	1.09Å	1.10Å
C17	H26	sing	1.09Å	1.10Å
C24	H38	sing	1.09Å	1.10Å
C28	H45	sing	1.09Å	1.10Å
C28	H46	sing	1.09Å	1.10Å
C28	H47	sing	1.09Å	1.10Å
C29	H49	sing	1.09Å	1.10Å
C29	H50	sing	1.09Å	1.10Å
C29	H48	sing	1.09Å	1.10Å
C27	H44	sing	1.09Å	1.10Å
C25	H39	sing	1.09Å	1.10Å
C25	H40	sing	1.09Å	1.10Å
C23	H36	sing	1.09Å	1.10Å
C26	H41	sing	1.09Å	1.10Å
C26	H42	sing	1.09Å	1.10Å
C26	H43	sing	1.09Å	1.10Å
O3	H8	sing	0.97Å	0.95Å
C22	H34	sing	1.09Å	1.10Å
C15	H22	sing	1.09Å	1.10Å
C15	H23	sing	1.09Å	1.10Å
C15	H21	sing	1.09Å	1.10Å
O5	H35	sing	0.97Å	0.95Å
O4	H10	sing	0.97Å	0.95Å
C4	H4	sing	1.11Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
O6	H37	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C11	117.4°	108.4°
C2	C1	C16	109.6°	104.8°
C1	C2	O1	106.1°	115.2°
C2	C1	H1	107.0°	111.1°
C1	C2	H3	110.3°	107.9°
C1	C2	H2	110.3°	107.9°
C11	C1	C16	108.9°	107.2°
C1	C11	C9	120.3°	114.7°
C1	C11	C12	107.3°	112.4°
C1	C11	H16	105.6°	107.4°
C11	C1	H1	106.5°	115.7°
C1	C16	C14	113.3°	110.5°
C1	C16	C17	120.2°	115.8°
C16	C1	H1	106.9°	109.0°
C1	C16	H24	106.8°	108.5°
C2	O1	C3	108.6°	124.0°
O1	C2	H3	110.3°	108.9°
O1	C2	H2	110.3°	109.0°
O1	C3	O2	125.7°	122.4°
O1	C3	C4	106.9°	118.6°
O2	C3	C4	124.1°	119.0°
C3	C4	C5	113.1°	111.1°
C3	C4	C9	107.3°	114.2°
C3	C4	H4	107.7°	105.2°
C5	C4	C9	113.9°	113.8°
C4	C5	C6	110.2°	108.8°
C4	C5	H6	109.3°	112.5°
C4	C5	H5	109.3°	108.4°
C5	C4	H4	107.4°	106.0°
C4	C9	C8	107.6°	110.3°
C4	C9	C10	109.5°	104.9°
C4	C9	C11	112.1°	120.5°
C9	C4	H4	107.0°	105.6°
C5	C6	O3	108.6°	109.5°
C5	C6	C7	109.7°	111.3°
C6	C5	H6	109.3°	111.2°
C6	C5	H5	109.3°	108.3°
C5	C6	H7	108.6°	108.8°
O3	C6	C7	111.5°	109.6°
O3	C6	H7	109.8°	108.6°
C6	O3	H8	109.5°	114.0°
C6	C7	O4	110.8°	108.1°
C6	C7	C8	111.3°	112.2°
C7	C6	H7	108.7°	109.0°
C6	C7	H9	108.2°	110.1°
O4	C7	C8	109.1°	108.2°
C7	O4	H10	109.5°	114.0°
O4	C7	H9	109.3°	106.9°
C7	C8	C9	116.1°	111.9°
C7	C8	H11	107.8°	108.8°
C7	C8	H12	107.8°	109.6°
C8	C7	H9	108.1°	111.2°
C8	C9	C10	106.8°	101.2°
C8	C9	C11	111.8°	112.5°
C9	C8	H11	107.8°	109.2°
C9	C8	H12	107.8°	108.7°
C10	C9	C11	108.9°	105.2°
C9	C10	H14	109.5°	109.5°
C9	C10	H15	109.5°	109.5°
C9	C10	H13	109.4°	109.5°
C9	C11	C12	111.3°	108.7°
C9	C11	H16	105.4°	106.7°
C11	C12	C13	112.4°	113.7°
C12	C11	H16	105.8°	106.6°
C11	C12	H17	108.7°	107.7°
C11	C12	H18	108.8°	109.8°
C12	C13	C14	111.5°	107.8°
C12	C13	H19	108.9°	109.8°
C12	C13	H20	108.9°	109.7°
C13	C12	H17	108.7°	107.4°
C13	C12	H18	108.7°	109.9°
C13	C14	C15	111.0°	111.6°
C13	C14	C16	106.3°	106.4°
C13	C14	C19	116.4°	115.0°
C14	C13	H19	109.0°	110.2°
C14	C13	H20	109.0°	110.0°
C15	C14	C16	112.5°	112.6°
C15	C14	C19	109.6°	109.4°
C14	C15	H22	109.5°	109.5°
C14	C15	H23	109.4°	109.5°
C14	C15	H21	109.5°	109.4°
C16	C14	C19	100.7°	101.6°
C14	C16	C17	102.4°	102.9°
C14	C16	H24	106.5°	109.6°
C14	C19	C18	103.7°	104.3°
C14	C19	C20	118.9°	110.1°
C14	C19	H29	106.9°	110.2°
C16	C17	C18	102.6°	103.8°
C17	C16	H24	106.7°	109.3°
C16	C17	H25	111.2°	110.4°
C16	C17	H26	111.2°	111.4°
C17	C18	C19	107.5°	106.6°
C17	C18	H27	109.9°	110.1°
C17	C18	H28	109.9°	110.0°
C18	C17	H25	111.2°	110.2°
C18	C17	H26	111.2°	111.1°
C18	C19	C20	112.7°	110.5°
C18	C19	H29	106.9°	110.7°
C19	C18	H27	109.9°	110.1°
C19	C18	H28	110.0°	110.0°
C19	C20	C21	113.2°	109.4°
C19	C20	C22	112.0°	109.5°
C20	C19	H29	107.1°	110.9°
C19	C20	H30	106.8°	109.5°
C21	C20	C22	110.7°	109.5°
C20	C21	H33	109.5°	109.4°
C20	C21	H31	109.5°	109.4°
C20	C21	H32	109.5°	109.4°
C21	C20	H30	106.9°	109.5°
C20	C22	O5	109.1°	109.5°
C20	C22	C23	114.4°	109.5°
C22	C20	H30	106.8°	109.5°
C20	C22	H34	107.5°	109.5°
O5	C22	C23	109.3°	109.5°
O5	C22	H34	108.9°	109.5°
C22	O5	H35	109.5°	113.9°
C22	C23	O6	108.6°	109.5°
C22	C23	C24	116.2°	109.5°
C22	C23	H36	106.9°	109.5°
C23	C22	H34	107.5°	109.5°
O6	C23	C24	109.8°	109.5°
O6	C23	H36	108.2°	109.4°
C23	O6	H37	109.5°	114.0°
C23	C24	C25	112.2°	109.5°
C23	C24	C27	113.9°	109.4°
C23	C24	H38	106.4°	109.5°
C24	C23	H36	106.9°	109.5°
C25	C24	C27	111.0°	109.5°
C24	C25	C26	114.4°	109.5°
C25	C24	H38	106.4°	109.5°
C24	C25	H39	108.2°	109.5°
C24	C25	H40	108.2°	109.5°
C24	C27	C28	112.0°	109.5°
C24	C27	C29	113.4°	109.4°
C27	C24	H38	106.3°	109.5°
C24	C27	H44	107.0°	109.5°
C26	C25	H39	108.2°	109.4°
C26	C25	H40	108.2°	109.5°
C25	C26	H41	109.5°	109.5°
C25	C26	H42	109.5°	109.5°
C25	C26	H43	109.5°	109.5°
C28	C27	C29	109.6°	109.5°
C27	C28	H45	109.5°	109.4°
C27	C28	H46	109.5°	109.5°
C27	C28	H47	109.5°	109.5°
C28	C27	H44	107.2°	109.5°
C27	C29	H49	109.5°	109.5°
C27	C29	H50	109.5°	109.5°
C27	C29	H48	109.5°	109.4°
C29	C27	H44	107.2°	109.5°
H19	C13	H20	109.5°	109.3°
H11	C8	H12	109.5°	108.6°
H6	C5	H5	109.5°	107.4°
H17	C12	H18	109.5°	108.2°
H27	C18	H28	109.5°	110.0°
H33	C21	H31	109.4°	109.5°
H33	C21	H32	109.5°	109.5°
H31	C21	H32	109.5°	109.5°
H14	C10	H15	109.5°	109.4°
H14	C10	H13	109.5°	109.5°
H15	C10	H13	109.5°	109.4°
H25	C17	H26	109.4°	109.9°
H45	C28	H46	109.5°	109.5°
H45	C28	H47	109.4°	109.4°
H46	C28	H47	109.5°	109.5°
H49	C29	H50	109.5°	109.5°
H49	C29	H48	109.4°	109.4°
H50	C29	H48	109.5°	109.5°
H39	C25	H40	109.5°	109.4°
H41	C26	H42	109.5°	109.5°
H41	C26	H43	109.4°	109.4°
H42	C26	H43	109.5°	109.5°
H22	C15	H23	109.4°	109.5°
H22	C15	H21	109.5°	109.4°
H23	C15	H21	109.5°	109.5°
H3	C2	H2	109.5°	107.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C11	C16	125.3°	112.6°
C2	C1	C11	H1	119.8°	125.6°
C2	C1	C16	H1	115.6°	119.0°
C1	C2	O1	H3	119.5°	121.3°
C1	C2	O1	H2	119.5°	121.4°
C1	C2	O1	C3	94.2°	78.7°
C2	C1	C11	C9	48.6°	70.6°
C2	C1	C11	C12	177.1°	164.7°
C2	C1	C16	C14	169.0°	177.1°
C2	C1	C16	C17	47.6°	66.4°
C2	C1	C11	H16	70.3°	47.7°
C2	C1	C16	H24	74.0°	56.9°
C1	C2	H3	H2	121.6°	116.3°
C11	C1	C16	H1	114.7°	125.9°
C11	C1	C2	O1	17.2°	57.0°
C1	C11	C9	C4	73.1°	84.0°
C1	C11	C9	C8	166.0°	143.2°
C1	C11	C9	C10	48.2°	33.9°
C1	C11	C9	C12	126.7°	126.7°
C1	C11	C9	H16	119.0°	118.7°
C1	C11	C12	H16	112.4°	117.4°
C1	C11	C12	C13	58.3°	51.4°
C11	C1	C16	C14	61.3°	62.0°
C11	C1	C16	C17	177.2°	178.5°
C1	C11	C12	H17	178.7°	170.3°
C1	C11	C12	H18	62.1°	72.1°
C11	C1	C16	H24	55.7°	58.2°
C11	C1	C2	H3	136.7°	64.9°
C11	C1	C2	H2	102.2°	179.0°
C16	C1	C2	O1	107.7°	171.2°
C16	C1	C11	C9	173.8°	176.7°
C16	C1	C11	C12	57.6°	52.0°
C1	C16	C14	C13	59.2°	69.0°
C1	C16	C14	C15	62.5°	53.4°
C1	C16	C14	C17	130.9°	124.2°
C1	C16	C14	H24	117.2°	119.6°
C1	C16	C14	C19	179.0°	170.4°
C1	C16	C17	H24	121.6°	122.9°
C1	C16	C17	C18	168.2°	157.3°
C16	C1	C11	H16	55.0°	64.9°
C1	C16	C17	H25	49.3°	84.6°
C1	C16	C17	H26	72.9°	37.7°
C16	C1	C2	H3	11.8°	49.3°
C16	C1	C2	H2	132.9°	66.8°
C2	O1	C3	O2	44.2°	100.2°
C2	O1	C3	C4	115.7°	80.5°
O1	C2	C1	H1	136.7°	71.3°
O1	C2	H3	H2	121.5°	118.1°
O1	C3	O2	C4	156.7°	179.2°
O1	C3	C4	C5	159.6°	103.4°
O1	C3	C4	C9	74.0°	27.0°
O1	C3	C4	H4	41.0°	142.3°
C3	O1	C2	H3	146.3°	42.6°
C3	O1	C2	H2	25.3°	159.8°
O2	C3	C4	C5	40.0°	75.8°
O2	C3	C4	C9	86.4°	153.7°
O2	C3	C4	H4	158.6°	38.4°
C3	C4	C5	C9	122.9°	130.6°
C3	C4	C5	H4	118.7°	113.7°
C3	C4	C9	H4	115.4°	115.1°
C3	C4	C5	C6	179.0°	171.3°
C3	C4	C9	C8	176.3°	174.2°
C3	C4	C9	C10	60.7°	77.6°
C3	C4	C9	C11	60.4°	40.5°
C3	C4	C5	H6	58.9°	64.9°
C3	C4	C5	H5	60.9°	53.7°
C5	C4	C9	H4	118.6°	115.9°
C4	C5	C6	H6	120.1°	124.6°
C4	C5	C6	H5	120.1°	117.6°
C4	C5	C6	O3	62.3°	65.9°
C4	C5	C6	C7	59.7°	55.3°
C5	C4	C9	C8	50.3°	56.7°
C5	C4	C9	C10	65.3°	51.4°
C5	C4	C9	C11	173.6°	169.6°
C4	C5	H6	H5	119.7°	119.2°
C4	C5	C6	H7	178.3°	175.5°
C9	C4	C5	C6	58.1°	58.1°
C4	C9	C8	C7	48.4°	52.6°
C4	C9	C8	C10	117.4°	110.6°
C4	C9	C8	C11	123.5°	137.6°
C4	C9	C10	C11	123.0°	128.0°
C4	C9	C11	C12	160.2°	149.3°
C4	C9	C11	H16	45.9°	34.7°
C4	C9	C8	H11	72.5°	173.1°
C4	C9	C8	H12	169.4°	68.6°
C9	C4	C5	H6	178.2°	65.7°
C9	C4	C5	H5	62.0°	175.7°
C4	C9	C10	H14	180.0°	171.9°
C4	C9	C10	H15	60.0°	52.0°
C4	C9	C10	H13	60.0°	68.0°
C5	C6	O3	C7	120.9°	122.3°
C5	C6	O3	H7	118.6°	118.7°
C5	C6	C7	H7	118.6°	120.0°
C5	C6	C7	O4	178.8°	173.5°
C5	C6	C7	C8	57.2°	54.3°
C6	C5	H6	H5	119.7°	118.4°
C5	C6	O3	H8	180.0°	180.0°
C6	C5	C4	H4	60.3°	57.6°
C5	C6	C7	H9	61.5°	70.1°
O3	C6	C7	H7	121.1°	118.8°
O3	C6	C7	O4	58.5°	52.3°
O3	C6	C7	C8	63.1°	66.9°
O3	C6	C5	H6	57.8°	169.5°
O3	C6	C5	H5	177.6°	51.7°
O3	C6	C7	H9	178.3°	168.7°
C6	C7	O4	C8	122.8°	121.7°
C6	C7	O4	H9	119.1°	118.4°
C6	C7	C8	H9	118.7°	123.7°
C6	C7	C8	C9	53.9°	52.5°
C6	C7	C8	H11	67.0°	173.2°
C6	C7	C8	H12	174.9°	68.2°
C7	C6	C5	H6	179.8°	69.2°
C7	C6	C5	H5	60.4°	173.0°
C7	C6	O3	H8	59.1°	57.6°
C6	C7	O4	H10	180.0°	60.0°
O4	C7	C8	H9	118.8°	117.1°
O4	C7	C8	C9	176.5°	171.6°
O4	C7	C8	H11	55.5°	67.6°
O4	C7	C8	H12	62.6°	51.0°
O4	C7	C6	H7	62.6°	66.4°
C7	C8	C9	H11	120.9°	120.5°
C7	C8	C9	H12	121.0°	121.2°
C7	C8	C9	C10	69.0°	58.0°
C7	C8	C9	C11	171.9°	169.8°
C7	C8	H11	H12	117.0°	119.2°
C8	C7	C6	H7	175.8°	174.3°
C8	C7	O4	H10	57.2°	178.3°
C8	C9	C10	C11	120.9°	117.2°
C8	C9	C11	C12	39.3°	16.5°
C8	C9	C11	H16	75.0°	98.1°
C9	C8	H11	H12	117.0°	118.3°
C8	C9	C10	H14	63.9°	57.2°
C8	C9	C10	H15	56.1°	62.7°
C8	C9	C10	H13	176.2°	177.3°
C8	C9	C4	H4	68.3°	59.1°
C9	C8	C7	H9	64.8°	71.3°
C10	C9	C11	C12	78.5°	92.7°
C10	C9	C11	H16	167.2°	152.7°
C10	C9	C8	H11	170.1°	62.5°
C10	C9	C8	H12	52.0°	179.2°
C9	C10	H14	H15	120.0°	120.0°
C9	C10	H14	H13	120.0°	120.1°
C9	C10	H15	H13	120.0°	120.0°
C10	C9	C4	H4	176.1°	167.3°
C9	C11	C12	H16	114.0°	114.7°
C9	C11	C12	C13	168.2°	179.4°
C11	C9	C8	H11	51.0°	49.3°
C11	C9	C8	H12	67.1°	69.0°
C9	C11	C1	H1	71.2°	55.0°
C9	C11	C12	H17	47.8°	61.8°
C9	C11	C12	H18	71.4°	55.8°
C11	C9	C10	H14	57.0°	60.0°
C11	C9	C10	H15	177.0°	180.0°
C11	C9	C10	H13	62.9°	60.0°
C11	C9	C4	H4	55.0°	74.6°
C11	C12	C13	H17	120.4°	119.1°
C11	C12	C13	H18	120.4°	123.5°
C11	C12	C13	C14	60.1°	56.2°
C11	C12	C13	H19	60.2°	176.3°
C11	C12	C13	H20	179.6°	63.6°
C12	C11	C1	H1	57.3°	69.8°
C11	C12	H17	H18	118.7°	118.6°
C12	C13	C14	H19	120.3°	119.8°
C12	C13	C14	H20	120.3°	119.5°
C12	C13	C14	C15	66.0°	60.3°
C12	C13	C14	C16	56.6°	62.7°
C12	C13	C14	C19	167.8°	174.3°
C13	C12	C11	H16	54.1°	65.9°
C12	C13	H19	H20	119.0°	120.3°
C13	C12	H17	H18	118.7°	118.5°
C13	C14	C15	C16	119.0°	119.5°
C13	C14	C15	C19	129.9°	128.4°
C13	C14	C16	C19	121.8°	120.6°
C13	C14	C16	C17	169.9°	166.7°
C13	C14	C19	C18	149.5°	151.5°
C13	C14	C19	C20	84.5°	90.0°
C14	C13	H19	H20	119.1°	121.1°
C14	C13	C12	H17	179.5°	175.3°
C14	C13	C12	H18	60.4°	67.3°
C13	C14	C19	H29	36.7°	32.7°
C13	C14	C16	H24	58.0°	50.5°
C13	C14	C15	H22	180.0°	179.5°
C13	C14	C15	H23	60.0°	60.5°
C13	C14	C15	H21	60.0°	59.5°
C15	C14	C16	C19	116.6°	116.9°
C15	C14	C16	C17	68.5°	70.8°
C15	C14	C19	C18	83.6°	82.0°
C15	C14	C19	C20	42.4°	36.5°
C15	C14	C13	H19	173.7°	59.5°
C15	C14	C13	H20	54.2°	179.9°
C15	C14	C19	H29	163.6°	159.2°
C15	C14	C16	H24	179.6°	173.0°
C14	C15	H22	H23	120.0°	120.1°
C14	C15	H22	H21	120.0°	119.9°
C14	C15	H23	H21	120.0°	120.0°
C14	C16	C17	H24	111.8°	116.4°
C14	C16	C17	C18	41.6°	36.6°
C16	C14	C19	C18	35.1°	37.2°
C16	C14	C19	C20	161.1°	155.7°
C16	C14	C13	H19	63.7°	177.5°
C16	C14	C13	H20	176.9°	56.8°
C14	C16	C1	H1	53.4°	63.9°
C16	C14	C19	H29	77.6°	81.6°
C14	C16	C17	H25	77.3°	154.7°
C14	C16	C17	H26	160.5°	83.0°
C16	C14	C15	H22	61.1°	60.0°
C16	C14	C15	H23	179.0°	180.0°
C16	C14	C15	H21	59.0°	60.0°
C19	C14	C16	C17	48.1°	46.1°
C14	C19	C18	C17	10.2°	15.0°
C14	C19	C18	C20	129.8°	118.3°
C14	C19	C18	H29	112.8°	118.4°
C14	C19	C20	H29	121.2°	122.3°
C14	C19	C20	C21	55.7°	64.9°
C14	C19	C20	C22	178.3°	175.1°
C19	C14	C13	H19	47.5°	65.9°
C19	C14	C13	H20	71.9°	54.8°
C14	C19	C18	H27	109.5°	134.4°
C14	C19	C18	H28	129.9°	104.2°
C14	C19	C20	H30	61.7°	55.0°
C19	C14	C16	H24	63.8°	70.1°
C19	C14	C15	H22	50.1°	52.2°
C19	C14	C15	H23	69.9°	67.9°
C19	C14	C15	H21	170.1°	172.1°
C16	C17	C18	H25	118.9°	118.2°
C16	C17	C18	H26	118.9°	119.7°
C16	C17	C18	C19	19.3°	13.4°
C17	C16	C1	H1	68.1°	52.6°
C16	C17	C18	H27	138.9°	106.1°
C16	C17	C18	H28	100.5°	132.6°
C16	C17	H25	H26	123.2°	123.2°
C17	C18	C19	H27	119.7°	119.5°
C17	C18	C19	H28	119.7°	119.2°
C17	C18	C19	C20	140.1°	133.2°
C17	C18	C19	H29	102.6°	103.5°
C17	C18	H27	H28	120.9°	121.4°
C18	C17	C16	H24	70.1°	79.9°
C18	C17	H25	H26	123.2°	122.7°
C18	C19	C20	H29	117.3°	123.1°
C18	C19	C20	C21	177.3°	179.6°
C18	C19	C20	C22	56.7°	60.4°
C19	C18	H27	H28	120.9°	121.3°
C18	C19	C20	H30	59.9°	59.6°
C19	C18	C17	H25	99.6°	131.6°
C19	C18	C17	H26	138.1°	106.4°
C19	C20	C21	C22	126.7°	120.0°
C19	C20	C21	H30	117.3°	120.0°
C19	C20	C22	H30	116.6°	120.0°
C19	C20	C22	O5	77.2°	55.0°
C19	C20	C22	C23	160.0°	175.0°
C20	C19	C18	H27	20.4°	107.3°
C20	C19	C18	H28	100.2°	14.1°
C19	C20	C21	H33	180.0°	66.9°
C19	C20	C21	H31	60.0°	173.2°
C19	C20	C21	H32	60.0°	53.2°
C19	C20	C22	H34	40.7°	65.0°
C21	C20	C22	H30	116.0°	120.0°
C21	C20	C22	O5	50.2°	65.0°
C21	C20	C22	C23	72.6°	55.1°
C21	C20	C19	H29	65.5°	57.3°
C20	C21	H33	H31	120.0°	119.9°
C20	C21	H33	H32	120.0°	120.0°
C20	C21	H31	H32	120.0°	120.0°
C21	C20	C22	H34	168.1°	175.1°
C20	C22	O5	C23	125.8°	120.0°
C20	C22	O5	H34	117.0°	120.0°
C20	C22	C23	H34	119.3°	120.0°
C20	C22	C23	O6	177.9°	179.2°
C20	C22	C23	C24	53.6°	60.8°
C22	C20	C19	H29	60.5°	62.7°
C22	C20	C21	H33	53.3°	173.1°
C22	C20	C21	H31	66.7°	53.2°
C22	C20	C21	H32	173.3°	66.8°
C20	C22	C23	H36	65.5°	59.2°
C20	C22	O5	H35	180.0°	60.0°
O5	C22	C23	H34	118.0°	120.0°
O5	C22	C23	O6	59.4°	59.2°
O5	C22	C23	C24	176.3°	179.1°
O5	C22	C20	H30	166.3°	175.0°
O5	C22	C23	H36	57.2°	60.8°
C22	C23	O6	C24	128.0°	120.0°
C22	C23	O6	H36	115.7°	120.0°
C22	C23	C24	H36	119.2°	120.0°
C22	C23	C24	C25	56.6°	79.8°
C22	C23	C24	C27	176.2°	160.2°
C23	C22	C20	H30	43.5°	64.9°
C22	C23	C24	H38	59.4°	40.2°
C23	C22	O5	H35	54.2°	60.1°
C22	C23	O6	H37	180.0°	60.1°
O6	C23	C24	H36	117.1°	120.0°
O6	C23	C24	C25	67.1°	40.2°
O6	C23	C24	C27	60.1°	79.8°
O6	C23	C24	H38	176.9°	160.2°
O6	C23	C22	H34	58.6°	60.8°
C23	C24	C25	C27	128.8°	120.0°
C23	C24	C25	H38	116.0°	120.0°
C23	C24	C27	H38	116.9°	120.0°
C23	C24	C25	C26	123.5°	67.0°
C23	C24	C27	C28	171.8°	65.2°
C23	C24	C27	C29	47.1°	174.8°
C23	C24	C27	H44	70.9°	54.8°
C23	C24	C25	H39	2.7°	52.9°
C23	C24	C25	H40	115.8°	172.9°
C24	C23	C22	H34	65.7°	59.2°
C24	C23	O6	H37	51.9°	59.9°
C25	C24	C27	H38	115.3°	120.0°
C24	C25	C26	H39	120.7°	120.0°
C24	C25	C26	H40	120.7°	120.1°
C25	C24	C27	C28	60.3°	174.8°
C25	C24	C27	C29	174.9°	54.8°
C25	C24	C27	H44	56.9°	65.2°
C24	C25	H39	H40	117.7°	120.0°
C25	C24	C23	H36	175.7°	160.2°
C24	C25	C26	H41	180.0°	36.1°
C24	C25	C26	H42	60.0°	84.0°
C24	C25	C26	H43	60.0°	156.0°
C27	C24	C25	C26	107.8°	173.0°
C24	C27	C28	C29	126.8°	120.0°
C24	C27	C28	H44	117.1°	120.0°
C24	C27	C29	H44	117.9°	120.0°
C24	C27	C28	H45	180.0°	59.9°
C24	C27	C28	H46	60.0°	180.0°
C24	C27	C28	H47	60.0°	60.0°
C24	C27	C29	H49	180.0°	53.2°
C24	C27	C29	H50	60.0°	66.9°
C24	C27	C29	H48	60.0°	173.1°
C27	C24	C25	H39	131.5°	67.1°
C27	C24	C25	H40	12.9°	52.9°
C27	C24	C23	H36	57.0°	40.2°
C26	C25	C24	H38	7.5°	53.0°
C26	C25	H39	H40	117.7°	120.0°
C25	C26	H41	H42	120.0°	120.1°
C25	C26	H41	H43	120.0°	120.0°
C25	C26	H42	H43	120.0°	120.0°
C28	C27	C29	H44	116.1°	120.0°
C28	C27	C24	H38	55.0°	54.8°
C27	C28	H45	H46	120.0°	120.0°
C27	C28	H45	H47	120.0°	120.0°
C27	C28	H46	H47	120.0°	120.0°
C28	C27	C29	H49	54.0°	66.8°
C28	C27	C29	H50	174.0°	173.1°
C28	C27	C29	H48	66.0°	53.1°
C29	C27	C24	H38	69.8°	65.2°
C29	C27	C28	H45	53.2°	60.0°
C29	C27	C28	H46	66.8°	60.0°
C29	C27	C28	H47	173.2°	180.0°
C27	C29	H49	H50	120.0°	120.1°
C27	C29	H49	H48	120.0°	120.0°
C27	C29	H50	H48	120.0°	120.0°
H16	C11	C1	H1	169.9°	173.3°
H16	C11	C12	H17	66.3°	52.9°
H16	C11	C12	H18	174.6°	170.5°
H19	C13	C12	H17	60.2°	64.6°
H19	C13	C12	H18	179.3°	52.8°
H20	C13	C12	H17	59.2°	55.5°
H20	C13	C12	H18	59.9°	172.9°
H11	C8	C7	H9	174.3°	49.5°
H12	C8	C7	H9	56.2°	168.1°
H6	C5	C6	H7	61.6°	50.9°
H6	C5	C4	H4	59.9°	178.7°
H5	C5	C6	H7	58.2°	66.9°
H5	C5	C4	H4	179.6°	60.0°
H1	C1	C16	H24	170.3°	175.9°
H1	C1	C2	H3	103.8°	166.9°
H1	C1	C2	H2	17.3°	50.7°
H29	C19	C18	H27	137.8°	16.0°
H29	C19	C18	H28	17.2°	137.3°
H29	C19	C20	H30	177.1°	177.3°
H7	C6	O3	H8	61.4°	61.3°
H7	C6	C7	H9	57.1°	49.9°
H27	C18	C17	H25	20.0°	12.2°
H27	C18	C17	H26	102.2°	134.2°
H28	C18	C17	H25	140.6°	109.2°
H28	C18	C17	H26	18.4°	12.8°
H33	C21	H31	H32	120.0°	120.1°
H33	C21	C20	H30	62.7°	53.1°
H31	C21	C20	H30	177.3°	66.9°
H32	C21	C20	H30	57.3°	173.2°
H30	C20	C22	H34	75.8°	55.0°
H14	C10	H15	H13	120.0°	120.0°
H24	C16	C17	H25	171.0°	38.2°
H24	C16	C17	H26	48.8°	160.6°
H38	C24	C27	H44	172.2°	174.8°
H38	C24	C25	H39	113.2°	172.9°
H38	C24	C25	H40	128.2°	67.1°
H38	C24	C23	H36	59.8°	79.8°
H45	C28	H46	H47	119.9°	120.0°
H45	C28	C27	H44	62.9°	180.0°
H46	C28	C27	H44	177.1°	60.0°
H47	C28	C27	H44	57.1°	60.0°
H49	C29	H50	H48	120.0°	119.9°
H49	C29	C27	H44	62.1°	173.1°
H50	C29	C27	H44	57.9°	53.1°
H48	C29	C27	H44	177.9°	66.9°
H39	C25	C26	H41	59.3°	156.0°
H39	C25	C26	H42	179.3°	36.0°
H39	C25	C26	H43	60.7°	84.0°
H40	C25	C26	H41	59.3°	84.0°
H40	C25	C26	H42	60.7°	155.9°
H40	C25	C26	H43	179.3°	35.9°
H36	C23	C22	H34	175.2°	179.2°
H36	C23	O6	H37	64.3°	180.0°
H41	C26	H42	H43	119.9°	119.9°
H34	C22	O5	H35	63.0°	180.0°
H22	C15	H23	H21	120.0°	120.0°
H10	O4	C7	H9	60.9°	58.4°

Release date:	2025-09-10
Definition date:	2025-08-06
Last modified:	2026-02-11
Release status:	REL
Processing site:	PDBE
Derived from:	9S8Z