MC9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C3	sing	0.00Å	1.46Å
O2	HO2	sing	0.00Å	0.95Å
O1	C1	sing	0.00Å	1.47Å
O1	HO1	sing	0.00Å	0.95Å
C1	C2	sing	0.00Å	1.59Å
C1	C10	sing	0.00Å	1.59Å
C1	H1	sing	0.00Å	1.11Å
C2	C3	sing	0.00Å	1.61Å
C2	H21	sing	0.00Å	1.11Å
C2	H22A	sing	0.00Å	1.12Å
C3	C4	sing	0.00Å	1.60Å
C3	H3	sing	0.00Å	1.12Å
C4	C5	sing	0.00Å	1.57Å
C4	H41	sing	0.00Å	1.11Å
C4	H42	sing	0.00Å	1.12Å
C5	C6	doub	0.00Å	1.39Å
C5	C10	sing	0.00Å	1.62Å
C6	C7	sing	0.00Å	1.49Å
C6	H6	sing	0.00Å	1.10Å
C7	C8	doub	0.00Å	1.31Å
C7	H7	sing	0.00Å	1.10Å
C8	C9	sing	0.00Å	1.62Å
C8	C14	sing	0.00Å	1.56Å
C9	C11	sing	0.00Å	1.62Å
C9	H91	sing	0.00Å	1.11Å
C9	H92	sing	0.00Å	1.12Å
C10	C19	doub	0.00Å	1.39Å
C11	C12	sing	0.00Å	1.62Å
C11	H111	sing	0.00Å	1.12Å
C11	H112	sing	0.00Å	1.12Å
C12	C13	sing	0.00Å	1.69Å
C12	H121	sing	0.00Å	1.11Å
C12	H122	sing	0.00Å	1.12Å
C13	C14	sing	0.00Å	1.65Å
C13	C17	sing	0.00Å	1.54Å
C13	C18	sing	0.00Å	1.72Å
C14	C15	sing	0.00Å	1.69Å
C14	H14	sing	0.00Å	1.11Å
C15	C16	sing	0.00Å	1.60Å
C15	H151	sing	0.00Å	1.12Å
C15	H152	sing	0.00Å	1.11Å
C16	C17	sing	0.00Å	1.58Å
C16	H161	sing	0.00Å	1.12Å
C16	H162	sing	0.00Å	1.11Å
C17	C20	sing	0.00Å	1.67Å
C17	H17	sing	0.00Å	1.11Å
C18	H181	sing	0.00Å	1.11Å
C18	H182	sing	0.00Å	1.12Å
C18	H183	sing	0.00Å	1.12Å
C19	H191	sing	0.00Å	1.10Å
C19	H192	sing	0.00Å	1.10Å
C20	C22	sing	0.00Å	1.56Å
C20	C21	sing	0.00Å	1.54Å
C20	H20	sing	0.00Å	1.12Å
C22	C23	doub	0.00Å	1.36Å
C22	H22	sing	0.00Å	1.10Å
C24	C25	sing	0.00Å	1.61Å
C24	O3	sing	0.00Å	1.45Å
C24	C23	sing	0.00Å	1.53Å
C24	H24	sing	0.00Å	1.12Å
C21	H211	sing	0.00Å	1.12Å
C21	H212	sing	0.00Å	1.11Å
C21	H213	sing	0.00Å	1.11Å
C25	C26	sing	0.00Å	1.55Å
C25	C27	sing	0.00Å	1.32Å
C25	H25	sing	0.00Å	1.12Å
C26	C27	sing	0.00Å	1.58Å
C26	H261	sing	0.00Å	1.11Å
C26	H262	sing	0.00Å	1.11Å
C27	H271	sing	0.00Å	1.12Å
C27	H272	sing	0.00Å	1.12Å
O3	HO3	sing	0.00Å	0.95Å
C23	H23	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	O2	HO2	108.1°	90.0°
O2	C3	C2	108.1°	90.0°
O2	C3	C4	109.7°	90.0°
O2	C3	H3	110.7°	90.0°
C1	O1	HO1	112.9°	90.0°
O1	C1	C2	112.9°	90.0°
O1	C1	C10	111.0°	90.0°
O1	C1	H1	105.9°	90.0°
C2	C1	C10	109.1°	90.0°
C2	C1	H1	107.9°	90.0°
C1	C2	C3	111.8°	90.0°
C1	C2	H21	111.4°	90.0°
C1	C2	H22A	111.4°	90.0°
C10	C1	H1	110.0°	90.0°
C1	C10	C5	115.0°	90.0°
C1	C10	C19	121.6°	90.0°
C3	C2	H21	111.4°	90.0°
C3	C2	H22A	111.4°	90.0°
C2	C3	C4	110.7°	90.0°
C2	C3	H3	109.6°	90.0°
H21	C2	H22A	99.0°	90.0°
C4	C3	H3	108.0°	90.0°
C3	C4	C5	114.3°	90.0°
C3	C4	H41	110.4°	90.0°
C3	C4	H42	110.4°	90.0°
C5	C4	H41	110.5°	90.0°
C5	C4	H42	110.4°	90.0°
C4	C5	C6	124.3°	90.0°
C4	C5	C10	111.1°	90.0°
H41	C4	H42	99.8°	90.0°
C6	C5	C10	124.6°	90.0°
C5	C6	C7	131.9°	90.0°
C5	C6	H6	109.6°	90.0°
C5	C10	C19	123.4°	90.0°
C7	C6	H6	118.5°	90.0°
C6	C7	C8	129.5°	90.0°
C6	C7	H7	122.9°	90.0°
C8	C7	H7	107.7°	90.0°
C7	C8	C9	123.6°	90.0°
C7	C8	C14	123.1°	90.0°
C9	C8	C14	113.2°	90.0°
C8	C9	C11	112.6°	90.0°
C8	C9	H91	111.1°	90.0°
C8	C9	H92	111.0°	90.0°
C8	C14	C13	111.0°	90.0°
C8	C14	C15	119.1°	90.0°
C8	C14	H14	99.0°	90.0°
C11	C9	H91	111.0°	90.0°
C11	C9	H92	111.0°	90.0°
C9	C11	C12	110.0°	90.0°
C9	C11	H111	112.0°	90.0°
C9	C11	H112	112.0°	90.0°
H91	C9	H92	99.3°	90.0°
C10	C19	H191	123.4°	90.0°
C10	C19	H192	121.6°	90.0°
C12	C11	H111	112.0°	90.0°
C12	C11	H112	112.0°	90.0°
C11	C12	C13	120.2°	90.0°
C11	C12	H121	108.4°	90.0°
C11	C12	H122	108.4°	90.0°
H111	C11	H112	98.3°	90.0°
C13	C12	H121	108.4°	90.0°
C13	C12	H122	108.4°	90.0°
C12	C13	C14	104.5°	90.0°
C12	C13	C17	121.0°	90.0°
C12	C13	C18	101.0°	90.0°
H121	C12	H122	101.6°	90.0°
C14	C13	C17	95.4°	90.0°
C14	C13	C18	114.1°	90.0°
C13	C14	C15	99.3°	90.0°
C13	C14	H14	118.9°	90.0°
C17	C13	C18	120.4°	90.0°
C13	C17	C16	103.8°	90.0°
C13	C17	C20	113.2°	90.0°
C13	C17	H17	112.2°	90.0°
C13	C18	H181	101.0°	90.0°
C13	C18	H182	115.5°	90.0°
C13	C18	H183	115.5°	90.0°
C15	C14	H14	110.8°	90.0°
C14	C15	C16	102.0°	90.0°
C14	C15	H151	115.0°	90.0°
C14	C15	H152	115.1°	90.0°
C16	C15	H151	115.1°	90.0°
C16	C15	H152	115.1°	90.0°
C15	C16	C17	105.2°	90.0°
C15	C16	H161	113.8°	90.0°
C15	C16	H162	113.8°	90.0°
H151	C15	H152	95.4°	90.0°
C17	C16	H161	113.8°	90.0°
C17	C16	H162	113.8°	90.0°
C16	C17	C20	113.5°	90.0°
C16	C17	H17	112.0°	90.0°
H161	C16	H162	96.7°	90.0°
C20	C17	H17	102.3°	90.0°
C17	C20	C22	121.3°	90.0°
C17	C20	C21	109.4°	90.0°
C17	C20	H20	99.8°	90.0°
H181	C18	H182	115.5°	90.0°
H181	C18	H183	115.4°	90.0°
H182	C18	H183	94.9°	90.0°
H191	C19	H192	115.0°	90.0°
C22	C20	C21	105.5°	90.0°
C22	C20	H20	104.1°	90.0°
C20	C22	C23	125.4°	90.0°
C20	C22	H22	124.7°	90.0°
C21	C20	H20	117.3°	90.0°
C20	C21	H211	109.4°	90.0°
C20	C21	H212	112.2°	90.0°
C20	C21	H213	112.2°	90.0°
C23	C22	H22	109.9°	90.0°
C22	C23	C24	126.5°	90.0°
C22	C23	H23	110.1°	90.0°
C25	C24	O3	115.4°	90.0°
C25	C24	C23	109.4°	90.0°
C25	C24	H24	105.5°	90.0°
C24	C25	C26	102.7°	90.0°
C24	C25	C27	128.6°	90.0°
C24	C25	H25	96.2°	90.0°
O3	C24	C23	109.9°	90.0°
O3	C24	H24	105.0°	90.0°
C24	O3	HO3	115.4°	90.0°
C23	C24	H24	111.5°	90.0°
C24	C23	H23	123.4°	90.0°
H211	C21	H212	112.2°	90.0°
H211	C21	H213	112.2°	90.0°
H212	C21	H213	98.3°	90.0°
C26	C25	C27	66.5°	90.0°
C26	C25	H25	144.2°	90.0°
C25	C26	C27	50.0°	90.0°
C25	C26	H261	141.1°	90.0°
C25	C26	H262	141.1°	90.0°
C27	C25	H25	122.2°	90.0°
C25	C27	C26	63.5°	90.0°
C25	C27	H271	133.0°	90.0°
C25	C27	H272	133.0°	90.0°
C27	C26	H261	141.1°	90.0°
C27	C26	H262	141.1°	90.0°
C26	C27	H271	133.0°	90.0°
C26	C27	H272	133.0°	90.0°
H261	C26	H262	61.7°	90.0°
H271	C27	H272	73.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C3	C2	C1	63.6°	90.0°
O2	C3	C2	C4	120.2°	90.0°
O2	C3	C2	H3	120.8°	90.0°
O2	C3	C2	H21	61.7°	90.0°
O2	C3	C2	H22A	171.1°	90.0°
O2	C3	C4	H3	120.7°	90.0°
O2	C3	C4	C5	66.3°	90.0°
O2	C3	C4	H41	59.0°	90.0°
O2	C3	C4	H42	168.4°	90.0°
HO2	O2	C3	C2	180.0°	90.0°
HO2	O2	C3	C4	59.2°	90.0°
HO2	O2	C3	H3	59.9°	90.0°
O1	C1	C2	C10	123.9°	90.0°
O1	C1	C2	H1	116.6°	90.0°
O1	C1	C10	H1	116.8°	90.0°
O1	C1	C2	C3	179.6°	90.0°
O1	C1	C2	H21	54.3°	90.0°
O1	C1	C2	H22A	55.1°	90.0°
O1	C1	C10	C5	178.8°	90.0°
O1	C1	C10	C19	0.3°	90.0°
HO1	O1	C1	C2	180.0°	90.0°
HO1	O1	C1	C10	57.1°	90.0°
HO1	O1	C1	H1	62.2°	90.0°
C2	C1	C10	H1	118.1°	90.0°
C1	C2	C3	H21	125.3°	90.0°
C1	C2	C3	H22A	125.3°	90.0°
C1	C2	H21	H22A	117.3°	90.0°
C1	C2	C3	C4	56.5°	90.0°
C1	C2	C3	H3	175.6°	90.0°
C2	C1	C10	C5	53.7°	90.0°
C2	C1	C10	C19	125.3°	90.0°
C10	C1	C2	C3	56.5°	90.0°
C10	C1	C2	H21	178.3°	90.0°
C10	C1	C2	H22A	68.8°	90.0°
C1	C10	C5	C4	49.9°	90.0°
C1	C10	C5	C6	130.4°	90.0°
C1	C10	C5	C19	179.1°	90.0°
C1	C10	C19	H191	1.0°	90.0°
C1	C10	C19	H192	179.9°	90.0°
H1	C1	C2	C3	62.9°	90.0°
H1	C1	C2	H21	62.3°	90.0°
H1	C1	C2	H22A	171.8°	90.0°
H1	C1	C10	C5	64.4°	90.0°
H1	C1	C10	C19	116.5°	90.0°
C3	C2	H21	H22A	117.3°	90.0°
C2	C3	C4	H3	120.1°	90.0°
C2	C3	C4	C5	52.9°	90.0°
C2	C3	C4	H41	178.2°	90.0°
C2	C3	C4	H42	72.4°	90.0°
H21	C2	C3	C4	178.2°	90.0°
H21	C2	C3	H3	59.1°	90.0°
H22A	C2	C3	C4	68.7°	90.0°
H22A	C2	C3	H3	50.4°	90.0°
C3	C4	C5	H41	125.3°	90.0°
C3	C4	C5	H42	125.2°	90.0°
C3	C4	H41	H42	116.2°	90.0°
C3	C4	C5	C6	131.6°	90.0°
C3	C4	C5	C10	48.7°	90.0°
H3	C3	C4	C5	172.9°	90.0°
H3	C3	C4	H41	61.8°	90.0°
H3	C3	C4	H42	47.7°	90.0°
C5	C4	H41	H42	116.3°	90.0°
C4	C5	C6	C10	179.6°	90.0°
C4	C5	C6	C7	179.6°	90.0°
C4	C5	C6	H6	0.4°	90.0°
C4	C5	C10	C19	129.1°	90.0°
H41	C4	C5	C6	6.3°	90.0°
H41	C4	C5	C10	174.0°	90.0°
H42	C4	C5	C6	103.1°	90.0°
H42	C4	C5	C10	76.5°	90.0°
C5	C6	C7	H6	180.0°	90.0°
C5	C6	C7	C8	149.6°	90.0°
C5	C6	C7	H7	30.3°	90.0°
C6	C5	C10	C19	50.5°	90.0°
C10	C5	C6	C7	0.0°	90.0°
C10	C5	C6	H6	179.9°	90.0°
C5	C10	C19	H191	179.9°	90.0°
C5	C10	C19	H192	0.9°	90.0°
C6	C7	C8	H7	180.0°	90.0°
C6	C7	C8	C9	0.1°	90.0°
C6	C7	C8	C14	179.0°	90.0°
H6	C6	C7	C8	30.3°	90.0°
H6	C6	C7	H7	149.7°	90.0°
C7	C8	C9	C14	179.1°	90.0°
C7	C8	C9	C11	122.2°	90.0°
C7	C8	C9	H91	112.5°	90.0°
C7	C8	C9	H92	3.0°	90.0°
C7	C8	C14	C13	114.2°	90.0°
C7	C8	C14	C15	0.1°	90.0°
C7	C8	C14	H14	120.0°	90.0°
H7	C7	C8	C9	179.9°	90.0°
H7	C7	C8	C14	1.0°	90.0°
C8	C9	C11	H91	125.3°	90.0°
C8	C9	C11	H92	125.2°	90.0°
C8	C9	H91	H92	117.0°	90.0°
C8	C9	C11	C12	43.7°	90.0°
C8	C9	C11	H111	169.0°	90.0°
C8	C9	C11	H112	81.6°	90.0°
C9	C8	C14	C13	64.9°	90.0°
C9	C8	C14	C15	179.3°	90.0°
C9	C8	C14	H14	60.8°	90.0°
C14	C8	C9	C11	56.9°	90.0°
C14	C8	C9	H91	68.3°	90.0°
C14	C8	C9	H92	177.9°	90.0°
C8	C14	C13	C12	56.6°	90.0°
C8	C14	C13	C15	126.2°	90.0°
C8	C14	C13	H14	113.7°	90.0°
C8	C14	C13	C17	179.5°	90.0°
C8	C14	C13	C18	52.7°	90.0°
C8	C14	C15	H14	113.7°	90.0°
C8	C14	C15	C16	153.2°	90.0°
C8	C14	C15	H151	28.0°	90.0°
C8	C14	C15	H152	81.5°	90.0°
C11	C9	H91	H92	116.9°	90.0°
C9	C11	C12	H111	125.3°	90.0°
C9	C11	C12	H112	125.3°	90.0°
C9	C11	H111	H112	117.9°	90.0°
C9	C11	C12	C13	44.3°	90.0°
C9	C11	C12	H121	81.0°	90.0°
C9	C11	C12	H122	169.5°	90.0°
H91	C9	C11	C12	81.6°	90.0°
H91	C9	C11	H111	43.7°	90.0°
H91	C9	C11	H112	153.1°	90.0°
H92	C9	C11	C12	168.9°	90.0°
H92	C9	C11	H111	65.8°	90.0°
H92	C9	C11	H112	43.6°	90.0°
C10	C19	H191	H192	179.2°	90.0°
C12	C11	H111	H112	117.9°	90.0°
C11	C12	C13	H121	125.3°	90.0°
C11	C12	C13	H122	125.2°	90.0°
C11	C12	H121	H122	114.0°	90.0°
C11	C12	C13	C14	49.6°	90.0°
C11	C12	C13	C17	155.1°	90.0°
C11	C12	C13	C18	69.1°	90.0°
H111	C11	C12	C13	169.6°	90.0°
H111	C11	C12	H121	44.3°	90.0°
H111	C11	C12	H122	65.2°	90.0°
H112	C11	C12	C13	81.0°	90.0°
H112	C11	C12	H121	153.7°	90.0°
H112	C11	C12	H122	44.2°	90.0°
C13	C12	H121	H122	114.0°	90.0°
C12	C13	C14	C17	123.9°	90.0°
C12	C13	C14	C18	109.3°	90.0°
C12	C13	C17	C18	127.5°	90.0°
C12	C13	C14	C15	177.2°	90.0°
C12	C13	C14	H14	57.2°	90.0°
C12	C13	C17	C16	166.1°	90.0°
C12	C13	C17	C20	70.4°	90.0°
C12	C13	C17	H17	44.9°	90.0°
C12	C13	C18	H181	180.0°	90.0°
C12	C13	C18	H182	54.7°	90.0°
C12	C13	C18	H183	54.7°	90.0°
H121	C12	C13	C14	75.7°	90.0°
H121	C12	C13	C17	29.8°	90.0°
H121	C12	C13	C18	165.6°	90.0°
H122	C12	C13	C14	174.8°	90.0°
H122	C12	C13	C17	79.7°	90.0°
H122	C12	C13	C18	56.1°	90.0°
C14	C13	C17	C18	122.1°	90.0°
C13	C14	C15	H14	125.8°	90.0°
C13	C14	C15	C16	32.7°	90.0°
C13	C14	C15	H151	92.5°	90.0°
C13	C14	C15	H152	158.0°	90.0°
C14	C13	C17	C16	55.6°	90.0°
C14	C13	C17	C20	179.2°	90.0°
C14	C13	C17	H17	65.5°	90.0°
C14	C13	C18	H181	68.6°	90.0°
C14	C13	C18	H182	166.1°	90.0°
C14	C13	C18	H183	56.7°	90.0°
C17	C13	C14	C15	53.3°	90.0°
C17	C13	C14	H14	66.8°	90.0°
C13	C17	C16	C15	35.9°	90.0°
C13	C17	C16	C20	123.4°	90.0°
C13	C17	C16	H17	121.3°	90.0°
C13	C17	C16	H161	89.3°	90.0°
C13	C17	C16	H162	161.2°	90.0°
C13	C17	C20	H17	121.0°	90.0°
C17	C13	C18	H181	43.9°	90.0°
C17	C13	C18	H182	81.4°	90.0°
C17	C13	C18	H183	169.1°	90.0°
C13	C17	C20	C22	79.0°	90.0°
C13	C17	C20	C21	157.9°	90.0°
C13	C17	C20	H20	34.2°	90.0°
C18	C13	C14	C15	73.5°	90.0°
C18	C13	C14	H14	166.5°	90.0°
C18	C13	C17	C16	66.5°	90.0°
C18	C13	C17	C20	57.1°	90.0°
C18	C13	C17	H17	172.4°	90.0°
C13	C18	H181	H182	125.3°	90.0°
C13	C18	H181	H183	125.3°	90.0°
C13	C18	H182	H183	121.3°	90.0°
C14	C15	C16	H151	125.2°	90.0°
C14	C15	C16	H152	125.3°	90.0°
C14	C15	H151	H152	120.9°	90.0°
C14	C15	C16	C17	0.0°	90.0°
C14	C15	C16	H161	125.2°	90.0°
C14	C15	C16	H162	125.3°	90.0°
H14	C14	C15	C16	93.1°	90.0°
H14	C14	C15	H151	141.6°	90.0°
H14	C14	C15	H152	32.1°	90.0°
C16	C15	H151	H152	121.0°	90.0°
C15	C16	C17	H161	125.2°	90.0°
C15	C16	C17	H162	125.3°	90.0°
C15	C16	H161	H162	119.7°	90.0°
C15	C16	C17	C20	159.3°	90.0°
C15	C16	C17	H17	85.4°	90.0°
H151	C15	C16	C17	125.2°	90.0°
H151	C15	C16	H161	0.0°	90.0°
H151	C15	C16	H162	109.5°	90.0°
H152	C15	C16	C17	125.3°	90.0°
H152	C15	C16	H161	109.5°	90.0°
H152	C15	C16	H162	0.0°	90.0°
C17	C16	H161	H162	119.8°	90.0°
C16	C17	C20	H17	120.9°	90.0°
C16	C17	C20	C22	39.0°	90.0°
C16	C17	C20	C21	84.1°	90.0°
C16	C17	C20	H20	152.3°	90.0°
H161	C16	C17	C20	34.1°	90.0°
H161	C16	C17	H17	149.4°	90.0°
H162	C16	C17	C20	75.4°	90.0°
H162	C16	C17	H17	39.8°	90.0°
C17	C20	C22	C21	124.9°	90.0°
C17	C20	C22	H20	111.0°	90.0°
C17	C20	C21	H20	112.7°	90.0°
C17	C20	C22	C23	136.2°	90.0°
C17	C20	C22	H22	43.8°	90.0°
C17	C20	C21	H211	180.0°	90.0°
C17	C20	C21	H212	54.8°	90.0°
C17	C20	C21	H213	54.8°	90.0°
H17	C17	C20	C22	159.9°	90.0°
H17	C17	C20	C21	36.8°	90.0°
H17	C17	C20	H20	86.8°	90.0°
H181	C18	H182	H183	121.2°	90.0°
C22	C20	C21	H20	115.3°	90.0°
C20	C22	C23	H22	180.0°	90.0°
C20	C22	C23	C24	168.0°	90.0°
C22	C20	C21	H211	48.0°	90.0°
C22	C20	C21	H212	77.2°	90.0°
C22	C20	C21	H213	173.2°	90.0°
C20	C22	C23	H23	12.0°	90.0°
C21	C20	C22	C23	98.9°	90.0°
C21	C20	C22	H22	81.2°	90.0°
C20	C21	H211	H212	125.2°	90.0°
C20	C21	H211	H213	125.2°	90.0°
C20	C21	H212	H213	118.2°	90.0°
H20	C20	C22	C23	25.2°	90.0°
H20	C20	C22	H22	154.7°	90.0°
H20	C20	C21	H211	67.3°	90.0°
H20	C20	C21	H212	167.4°	90.0°
H20	C20	C21	H213	57.9°	90.0°
C22	C23	C24	C25	132.7°	90.0°
C22	C23	C24	O3	99.6°	90.0°
C22	C23	C24	H23	180.0°	90.0°
C22	C23	C24	H24	16.4°	90.0°
H22	C22	C23	C24	12.0°	90.0°
H22	C22	C23	H23	167.9°	90.0°
C25	C24	O3	C23	124.3°	90.0°
C25	C24	O3	H24	115.7°	90.0°
C25	C24	C23	H24	116.3°	90.0°
C24	C25	C26	C27	126.8°	90.0°
C24	C25	C26	H25	120.2°	90.0°
C24	C25	C27	H25	131.8°	90.0°
C24	C25	C26	H261	1.6°	90.0°
C24	C25	C26	H262	107.9°	90.0°
C24	C25	C27	H271	147.1°	90.0°
C24	C25	C27	H272	37.6°	90.0°
C25	C24	O3	HO3	180.0°	90.0°
C25	C24	C23	H23	47.3°	90.0°
O3	C24	C23	H24	116.0°	90.0°
O3	C24	C25	C26	44.4°	90.0°
O3	C24	C25	C27	25.5°	90.0°
O3	C24	C25	H25	166.1°	90.0°
O3	C24	C23	H23	80.4°	90.0°
C23	C24	C25	C26	80.1°	90.0°
C23	C24	C25	C27	150.0°	90.0°
C23	C24	C25	H25	69.3°	90.0°
C23	C24	O3	HO3	55.7°	90.0°
H24	C24	C25	C26	159.8°	90.0°
H24	C24	C25	C27	89.9°	90.0°
H24	C24	C25	H25	50.8°	90.0°
H24	C24	O3	HO3	64.3°	90.0°
H24	C24	C23	H23	163.6°	90.0°
H211	C21	H212	H213	118.2°	90.0°
C26	C25	C27	H25	140.5°	90.0°
C25	C26	C27	H261	125.3°	90.0°
C25	C26	C27	H262	125.2°	90.0°
C25	C26	H261	H262	137.7°	90.0°
C26	C25	C27	H271	125.2°	90.0°
C26	C25	C27	H272	125.3°	90.0°
C25	C27	H271	H272	134.0°	90.0°
H25	C25	C26	H261	121.8°	90.0°
H25	C25	C26	H262	12.2°	90.0°
H25	C25	C27	H271	15.3°	90.0°
H25	C25	C27	H272	94.2°	90.0°
C27	C26	H261	H262	137.7°	90.0°
C26	C27	H271	H272	134.0°	90.0°
H261	C26	C27	H271	109.4°	90.0°
H261	C26	C27	H272	0.0°	90.0°
H262	C26	C27	H271	0.0°	90.0°
H262	C26	C27	H272	109.5°	90.0°

Definition date:	2004-01-14
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1S19