Summary Geometry PCM/PTM Related PDB entries

CLR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	C10	sing	1.53Å	1.55Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.54Å
C3	O1	sing	1.43Å	1.42Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.52Å	1.52Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	doub	1.30Å	1.35Å
C5	C10	sing	1.50Å	1.54Å
C6	C7	sing	1.50Å	1.53Å
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.53Å	1.56Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	C9	sing	1.53Å	1.56Å
C8	C14	sing	1.52Å	1.51Å
C8	H8	sing	1.09Å	1.10Å
C9	C10	sing	1.52Å	1.55Å
C9	C11	sing	1.53Å	1.54Å
C9	H9	sing	1.09Å	1.10Å
C10	C19	sing	1.53Å	1.56Å
C11	C12	sing	1.54Å	1.54Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C12	C13	sing	1.52Å	1.56Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C13	C14	sing	1.55Å	1.56Å
C13	C17	sing	1.53Å	1.56Å
C13	C18	sing	1.53Å	1.54Å
C14	C15	sing	1.53Å	1.57Å
C14	H14	sing	1.09Å	1.10Å
C15	C16	sing	1.55Å	1.59Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	C17	sing	1.55Å	1.60Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	C20	sing	1.53Å	1.53Å
C17	H17	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
C20	C21	sing	1.53Å	1.55Å
C20	C22	sing	1.53Å	1.57Å
C20	H20	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H213	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.53Å
C22	H221	sing	1.09Å	1.10Å
C22	H222	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.57Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.55Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.55Å
C25	C27	sing	1.53Å	1.55Å
C25	H25	sing	1.09Å	1.10Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C27	H273	sing	1.09Å	1.10Å
O1	H1	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C10	113.7°	109.4°
C2	C1	H11	108.4°	109.5°
C2	C1	H12	108.4°	109.5°
C1	C2	C3	112.5°	109.6°
C1	C2	H21	108.7°	109.4°
C1	C2	H22	108.7°	109.5°
C10	C1	H11	108.4°	109.5°
C10	C1	H12	108.4°	109.4°
C1	C10	C5	110.2°	109.4°
C1	C10	C9	107.9°	110.1°
C1	C10	C19	110.1°	108.1°
H11	C1	H12	109.5°	109.5°
C3	C2	H21	108.7°	109.4°
C3	C2	H22	108.7°	109.5°
C2	C3	C4	107.8°	109.6°
C2	C3	O1	114.3°	109.4°
C2	C3	H3	106.8°	109.4°
H21	C2	H22	109.4°	109.4°
C4	C3	O1	112.5°	109.5°
C4	C3	H3	106.8°	109.5°
C3	C4	C5	115.2°	108.4°
C3	C4	H41	108.0°	109.7°
C3	C4	H42	108.0°	109.7°
O1	C3	H3	108.3°	109.5°
C3	O1	H1	109.5°	114.0°
C5	C4	H41	108.0°	109.7°
C5	C4	H42	108.0°	109.7°
C4	C5	C6	119.2°	118.3°
C4	C5	C10	115.0°	117.9°
H41	C4	H42	109.4°	109.7°
C6	C5	C10	125.8°	123.9°
C5	C6	C7	122.6°	123.0°
C5	C6	H6	118.7°	118.5°
C5	C10	C9	108.7°	113.3°
C5	C10	C19	110.5°	108.1°
C7	C6	H6	118.7°	118.5°
C6	C7	C8	111.3°	109.3°
C6	C7	H71	109.0°	109.5°
C6	C7	H72	109.0°	109.5°
C8	C7	H71	109.0°	109.5°
C8	C7	H72	109.0°	109.5°
C7	C8	C9	110.1°	108.2°
C7	C8	C14	107.6°	109.5°
C7	C8	H8	109.7°	110.3°
H71	C7	H72	109.5°	109.5°
C9	C8	C14	109.4°	107.5°
C9	C8	H8	109.7°	110.2°
C8	C9	C10	111.7°	110.5°
C8	C9	C11	112.6°	111.8°
C8	C9	H9	105.9°	108.4°
C14	C8	H8	110.4°	111.0°
C8	C14	C13	113.9°	107.3°
C8	C14	C15	116.7°	115.8°
C8	C14	H14	106.9°	110.3°
C10	C9	C11	113.8°	109.7°
C10	C9	H9	106.0°	108.4°
C9	C10	C19	109.4°	107.6°
C11	C9	H9	106.1°	107.9°
C9	C11	C12	113.5°	111.8°
C9	C11	H111	108.5°	109.0°
C9	C11	H112	108.5°	109.0°
C10	C19	H191	109.5°	109.5°
C10	C19	H192	109.5°	109.5°
C10	C19	H193	109.5°	109.5°
C12	C11	H111	108.4°	109.0°
C12	C11	H112	108.4°	109.0°
C11	C12	C13	109.5°	107.1°
C11	C12	H121	109.4°	109.9°
C11	C12	H122	109.5°	110.0°
H111	C11	H112	109.5°	109.0°
C13	C12	H121	109.5°	109.9°
C13	C12	H122	109.5°	109.9°
C12	C13	C14	105.4°	107.1°
C12	C13	C17	114.9°	116.4°
C12	C13	C18	114.2°	109.8°
H121	C12	H122	109.5°	110.0°
C14	C13	C17	98.4°	103.3°
C14	C13	C18	111.6°	109.8°
C13	C14	C15	106.0°	101.7°
C13	C14	H14	106.3°	110.4°
C17	C13	C18	111.0°	110.0°
C13	C17	C16	103.2°	105.3°
C13	C17	C20	116.5°	110.3°
C13	C17	H17	109.1°	110.2°
C13	C18	H181	109.5°	109.4°
C13	C18	H182	109.5°	109.5°
C13	C18	H183	109.5°	109.4°
C15	C14	H14	106.3°	111.0°
C14	C15	C16	102.8°	103.0°
C14	C15	H151	111.1°	110.7°
C14	C15	H152	111.1°	110.7°
C16	C15	H151	111.1°	110.7°
C16	C15	H152	111.1°	110.7°
C15	C16	C17	105.5°	106.4°
C15	C16	H161	110.4°	110.1°
C15	C16	H162	110.5°	110.0°
H151	C15	H152	109.5°	110.8°
C17	C16	H161	110.4°	110.1°
C17	C16	H162	110.5°	110.0°
C16	C17	C20	109.5°	110.2°
C16	C17	H17	108.6°	110.3°
H161	C16	H162	109.5°	110.1°
C20	C17	H17	109.5°	110.3°
C17	C20	C21	115.6°	109.5°
C17	C20	C22	104.0°	109.4°
C17	C20	H20	109.9°	109.5°
H181	C18	H182	109.5°	109.5°
H181	C18	H183	109.5°	109.5°
H182	C18	H183	109.5°	109.4°
H191	C19	H192	109.5°	109.4°
H191	C19	H193	109.4°	109.4°
H192	C19	H193	109.4°	109.4°
C21	C20	C22	108.0°	109.5°
C21	C20	H20	109.6°	109.5°
C20	C21	H211	109.5°	109.5°
C20	C21	H212	109.5°	109.4°
C20	C21	H213	109.5°	109.4°
C22	C20	H20	109.4°	109.5°
C20	C22	C23	112.6°	109.4°
C20	C22	H221	108.7°	109.5°
C20	C22	H222	108.7°	109.5°
H211	C21	H212	109.5°	109.5°
H211	C21	H213	109.5°	109.5°
H212	C21	H213	109.4°	109.5°
C23	C22	H221	108.7°	109.4°
C23	C22	H222	108.6°	109.5°
C22	C23	C24	103.9°	109.5°
C22	C23	H231	110.9°	109.4°
C22	C23	H232	110.9°	109.5°
H221	C22	H222	109.5°	109.5°
C24	C23	H231	110.9°	109.5°
C24	C23	H232	110.8°	109.5°
C23	C24	C25	109.2°	109.5°
C23	C24	H241	109.5°	109.5°
C23	C24	H242	109.6°	109.5°
H231	C23	H232	109.5°	109.5°
C25	C24	H241	109.6°	109.5°
C25	C24	H242	109.5°	109.4°
C24	C25	C26	107.1°	109.4°
C24	C25	C27	114.4°	109.5°
C24	C25	H25	106.8°	109.5°
H241	C24	H242	109.5°	109.4°
C26	C25	C27	114.6°	109.4°
C26	C25	H25	106.7°	109.5°
C25	C26	H261	109.5°	109.4°
C25	C26	H262	109.5°	109.5°
C25	C26	H263	109.4°	109.5°
C27	C25	H25	106.8°	109.5°
C25	C27	H271	109.5°	109.4°
C25	C27	H272	109.5°	109.4°
C25	C27	H273	109.5°	109.5°
H261	C26	H262	109.4°	109.5°
H261	C26	H263	109.5°	109.4°
H262	C26	H263	109.5°	109.5°
H271	C27	H272	109.5°	109.5°
H271	C27	H273	109.4°	109.5°
H272	C27	H273	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C10	H11	120.6°	120.0°
C2	C1	C10	H12	120.6°	119.9°
C2	C1	H11	H12	118.0°	120.1°
C1	C2	C3	H21	120.5°	120.0°
C1	C2	C3	H22	120.5°	120.1°
C1	C2	H21	H22	118.6°	119.9°
C1	C2	C3	C4	56.1°	63.7°
C1	C2	C3	O1	178.1°	176.2°
C1	C2	C3	H3	58.4°	56.3°
C2	C1	C10	C5	49.5°	54.3°
C2	C1	C10	C9	168.1°	179.4°
C2	C1	C10	C19	72.7°	63.2°
C10	C1	H11	H12	118.1°	120.0°
C10	C1	C2	C3	57.5°	62.9°
C10	C1	C2	H21	63.0°	57.1°
C10	C1	C2	H22	178.0°	177.1°
C1	C10	C5	C4	45.3°	51.1°
C1	C10	C5	C6	134.9°	129.1°
C1	C10	C5	C9	118.1°	123.2°
C1	C10	C5	C19	121.9°	117.6°
C1	C10	C9	C8	166.5°	159.8°
C1	C10	C9	C19	119.7°	117.6°
C1	C10	C9	C11	64.6°	76.4°
C1	C10	C9	H9	51.6°	41.2°
C1	C10	C19	H191	180.0°	60.0°
C1	C10	C19	H192	60.0°	180.0°
C1	C10	C19	H193	60.0°	60.0°
H11	C1	C2	C3	63.1°	57.1°
H11	C1	C2	H21	176.4°	177.1°
H11	C1	C2	H22	57.3°	63.0°
H11	C1	C10	C5	71.1°	65.7°
H11	C1	C10	C9	47.5°	59.4°
H11	C1	C10	C19	166.7°	176.8°
H12	C1	C2	C3	178.1°	177.2°
H12	C1	C2	H21	57.7°	62.8°
H12	C1	C2	H22	61.4°	57.1°
H12	C1	C10	C5	170.1°	174.3°
H12	C1	C10	C9	71.3°	60.6°
H12	C1	C10	C19	47.9°	56.7°
C3	C2	H21	H22	118.6°	119.9°
C2	C3	C4	O1	126.9°	120.0°
C2	C3	C4	H3	114.5°	120.0°
C2	C3	O1	H3	118.9°	119.9°
C2	C3	C4	C5	52.6°	55.1°
C2	C3	C4	H41	68.3°	64.6°
C2	C3	C4	H42	173.4°	174.8°
C2	C3	O1	H1	180.0°	180.0°
H21	C2	C3	C4	64.4°	56.3°
H21	C2	C3	O1	61.5°	63.8°
H21	C2	C3	H3	178.8°	176.3°
H22	C2	C3	C4	176.5°	176.2°
H22	C2	C3	O1	57.6°	56.1°
H22	C2	C3	H3	62.1°	63.8°
C4	C3	O1	H3	117.7°	120.0°
C3	C4	C5	H41	120.9°	119.7°
C3	C4	C5	H42	120.9°	119.7°
C3	C4	H41	H42	117.4°	120.6°
C3	C4	C5	C6	130.8°	128.8°
C3	C4	C5	C10	49.4°	51.3°
C4	C3	O1	H1	56.6°	60.0°
O1	C3	C4	C5	179.5°	175.1°
O1	C3	C4	H41	58.6°	55.4°
O1	C3	C4	H42	59.7°	65.2°
H3	C3	C4	C5	61.9°	64.9°
H3	C3	C4	H41	177.2°	175.4°
H3	C3	C4	H42	58.9°	54.8°
H3	C3	O1	H1	61.1°	60.0°
C5	C4	H41	H42	117.4°	120.5°
C4	C5	C6	C10	179.8°	179.8°
C4	C5	C6	C7	178.8°	179.7°
C4	C5	C6	H6	1.2°	0.4°
C4	C5	C10	C9	163.3°	174.3°
C4	C5	C10	C19	76.7°	66.5°
H41	C4	C5	C6	108.4°	111.5°
H41	C4	C5	C10	71.5°	68.4°
H42	C4	C5	C6	9.9°	9.1°
H42	C4	C5	C10	170.2°	171.1°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	16.0°	26.3°
C5	C6	C7	H71	136.3°	146.3°
C5	C6	C7	H72	104.2°	93.6°
C6	C5	C10	C9	16.8°	5.8°
C6	C5	C10	C19	103.2°	113.4°
C10	C5	C6	C7	1.4°	0.5°
C10	C5	C6	H6	178.6°	179.4°
C5	C10	C9	C8	47.0°	37.0°
C5	C10	C9	C19	120.7°	119.5°
C5	C10	C9	C11	175.9°	160.7°
C5	C10	C9	H9	67.9°	81.7°
C5	C10	C19	H191	58.0°	58.4°
C5	C10	C19	H192	178.0°	61.6°
C5	C10	C19	H193	62.0°	178.4°
C6	C7	C8	H71	120.3°	120.0°
C6	C7	C8	H72	120.3°	120.0°
C6	C7	H71	H72	119.2°	120.1°
C6	C7	C8	C9	45.5°	55.9°
C6	C7	C8	C14	164.6°	172.9°
C6	C7	C8	H8	75.3°	64.7°
H6	C6	C7	C8	164.0°	153.6°
H6	C6	C7	H71	43.7°	33.6°
H6	C6	C7	H72	75.8°	86.5°
C8	C7	H71	H72	119.2°	120.1°
C7	C8	C9	C14	118.0°	118.2°
C7	C8	C9	H8	120.8°	120.6°
C7	C8	C14	H8	119.7°	122.0°
C7	C8	C9	C10	63.9°	62.8°
C7	C8	C9	C11	166.6°	174.7°
C7	C8	C9	H9	51.0°	55.8°
C7	C8	C14	C13	177.2°	178.7°
C7	C8	C14	C15	58.8°	66.0°
C7	C8	C14	H14	60.0°	61.0°
H71	C7	C8	C9	165.8°	175.9°
H71	C7	C8	C14	75.1°	67.1°
H71	C7	C8	H8	45.0°	55.3°
H72	C7	C8	C9	74.7°	64.0°
H72	C7	C8	C14	44.4°	52.9°
H72	C7	C8	H8	164.4°	175.3°
C9	C8	C14	H8	120.8°	120.7°
C8	C9	C10	C11	128.9°	123.7°
C8	C9	C10	H9	114.9°	118.7°
C8	C9	C11	H9	115.4°	119.1°
C8	C9	C10	C19	73.8°	82.5°
C8	C9	C11	C12	50.3°	53.8°
C8	C9	C11	H111	170.9°	174.4°
C8	C9	C11	H112	70.2°	66.7°
C9	C8	C14	C13	57.6°	64.0°
C9	C8	C14	C15	178.3°	176.6°
C9	C8	C14	H14	59.6°	56.3°
C14	C8	C9	C10	178.1°	179.0°
C14	C8	C9	C11	48.6°	56.4°
C14	C8	C9	H9	67.0°	62.4°
C8	C14	C13	C12	63.9°	70.3°
C8	C14	C13	C15	129.7°	121.9°
C8	C14	C13	H14	117.5°	120.3°
C8	C14	C13	C17	177.3°	166.3°
C8	C14	C13	C18	60.6°	49.0°
C8	C14	C15	H14	119.1°	126.7°
C8	C14	C15	C16	158.3°	157.5°
C8	C14	C15	H151	39.3°	39.0°
C8	C14	C15	H152	82.8°	84.2°
H8	C8	C9	C10	56.9°	57.8°
H8	C8	C9	C11	72.6°	64.7°
H8	C8	C9	H9	171.9°	176.5°
H8	C8	C14	C13	63.2°	56.7°
H8	C8	C14	C15	60.9°	56.0°
H8	C8	C14	H14	179.6°	177.0°
C10	C9	C11	H9	116.1°	117.9°
C10	C9	C11	C12	178.8°	176.8°
C10	C9	C11	H111	60.6°	62.7°
C10	C9	C11	H112	58.2°	56.2°
C9	C10	C19	H191	61.7°	178.8°
C9	C10	C19	H192	58.4°	61.1°
C9	C10	C19	H193	178.3°	58.8°
C11	C9	C10	C19	55.2°	41.2°
C9	C11	C12	H111	120.6°	120.6°
C9	C11	C12	H112	120.6°	120.6°
C9	C11	H111	H112	118.2°	118.9°
C9	C11	C12	C13	57.2°	57.4°
C9	C11	C12	H121	62.8°	61.9°
C9	C11	C12	H122	177.2°	176.8°
H9	C9	C10	C19	171.3°	158.8°
H9	C9	C11	C12	65.1°	65.3°
H9	C9	C11	H111	55.5°	55.2°
H9	C9	C11	H112	174.4°	174.1°
C10	C19	H191	H192	120.0°	120.1°
C10	C19	H191	H193	120.0°	120.0°
C10	C19	H192	H193	120.0°	120.0°
C12	C11	H111	H112	118.1°	118.8°
C11	C12	C13	H121	120.0°	119.4°
C11	C12	C13	H122	120.0°	119.5°
C11	C12	H121	H122	120.0°	121.2°
C11	C12	C13	C14	60.5°	64.9°
C11	C12	C13	C17	167.7°	179.8°
C11	C12	C13	C18	62.4°	54.3°
H111	C11	C12	C13	177.8°	178.0°
H111	C11	C12	H121	57.8°	58.7°
H111	C11	C12	H122	62.2°	62.6°
H112	C11	C12	C13	63.4°	63.1°
H112	C11	C12	H121	176.6°	177.5°
H112	C11	C12	H122	56.6°	56.3°
C13	C12	H121	H122	120.0°	121.1°
C12	C13	C14	C17	118.9°	123.4°
C12	C13	C14	C18	124.5°	119.2°
C12	C13	C17	C18	131.5°	125.8°
C12	C13	C14	C15	166.5°	167.8°
C12	C13	C14	H14	53.6°	50.0°
C12	C13	C17	C16	156.7°	146.2°
C12	C13	C17	C20	83.3°	94.8°
C12	C13	C17	H17	41.4°	27.3°
C12	C13	C18	H181	180.0°	59.2°
C12	C13	C18	H182	60.0°	179.2°
C12	C13	C18	H183	60.0°	60.8°
H121	C12	C13	C14	59.5°	54.5°
H121	C12	C13	C17	47.7°	60.4°
H121	C12	C13	C18	177.6°	173.7°
H122	C12	C13	C14	179.5°	175.6°
H122	C12	C13	C17	72.3°	60.7°
H122	C12	C13	C18	57.6°	65.1°
C14	C13	C17	C18	117.1°	117.2°
C13	C14	C15	H14	112.9°	117.4°
C13	C14	C15	C16	30.2°	41.6°
C13	C14	C15	H151	88.7°	76.8°
C13	C14	C15	H152	149.1°	160.0°
C14	C13	C17	C16	45.3°	29.2°
C14	C13	C17	C20	165.3°	148.2°
C14	C13	C17	H17	70.0°	89.8°
C14	C13	C18	H181	60.6°	58.4°
C14	C13	C18	H182	179.4°	61.7°
C14	C13	C18	H183	59.4°	178.3°
C17	C13	C14	C15	47.6°	44.4°
C17	C13	C14	H14	65.2°	73.5°
C13	C17	C16	C15	28.3°	3.4°
C13	C17	C16	C20	124.7°	118.9°
C13	C17	C16	H17	115.7°	118.9°
C13	C17	C16	H161	91.1°	115.8°
C13	C17	C16	H162	147.7°	122.6°
C13	C17	C20	H17	124.4°	122.0°
C17	C13	C18	H181	48.1°	171.4°
C17	C13	C18	H182	71.9°	51.3°
C17	C13	C18	H183	168.1°	68.7°
C13	C17	C20	C21	58.2°	65.8°
C13	C17	C20	C22	176.4°	174.2°
C13	C17	C20	H20	66.6°	54.2°
C18	C13	C14	C15	69.0°	73.0°
C18	C13	C14	H14	178.1°	169.2°
C18	C13	C17	C16	71.8°	88.0°
C18	C13	C17	C20	48.2°	31.0°
C18	C13	C17	H17	172.9°	153.0°
C13	C18	H181	H182	120.0°	120.1°
C13	C18	H181	H183	120.0°	119.9°
C13	C18	H182	H183	120.0°	120.0°
C14	C15	C16	H151	118.9°	118.4°
C14	C15	C16	H152	118.9°	118.4°
C14	C15	H151	H152	123.1°	123.2°
C14	C15	C16	C17	0.9°	24.0°
C14	C15	C16	H161	120.3°	143.2°
C14	C15	C16	H162	118.5°	95.2°
H14	C14	C15	C16	82.7°	75.8°
H14	C14	C15	H151	158.4°	165.8°
H14	C14	C15	H152	36.2°	42.5°
C16	C15	H151	H152	123.1°	123.2°
C15	C16	C17	H161	119.4°	119.3°
C15	C16	C17	H162	119.4°	119.2°
C15	C16	H161	H162	121.8°	121.5°
C15	C16	C17	C20	153.0°	122.4°
C15	C16	C17	H17	87.4°	115.5°
H151	C15	C16	C17	118.0°	94.4°
H151	C15	C16	H161	1.4°	24.8°
H151	C15	C16	H162	122.6°	146.4°
H152	C15	C16	C17	119.8°	142.3°
H152	C15	C16	H161	120.8°	98.4°
H152	C15	C16	H162	0.4°	23.1°
C17	C16	H161	H162	121.8°	121.5°
C16	C17	C20	H17	119.0°	122.1°
C16	C17	C20	C21	174.7°	178.3°
C16	C17	C20	C22	67.0°	58.3°
C16	C17	C20	H20	50.0°	61.7°
H161	C16	C17	C20	33.6°	3.1°
H161	C16	C17	H17	153.2°	125.2°
H162	C16	C17	C20	87.6°	118.5°
H162	C16	C17	H17	32.0°	3.7°
C17	C20	C21	C22	116.0°	119.9°
C17	C20	C21	H20	124.9°	120.0°
C17	C20	C22	H20	117.4°	120.0°
C17	C20	C21	H211	180.0°	56.3°
C17	C20	C21	H212	60.0°	63.7°
C17	C20	C21	H213	60.0°	176.4°
C17	C20	C22	C23	170.7°	175.0°
C17	C20	C22	H221	50.2°	55.1°
C17	C20	C22	H222	68.8°	65.0°
H17	C17	C20	C21	66.3°	56.2°
H17	C17	C20	C22	52.0°	63.8°
H17	C17	C20	H20	169.0°	176.2°
H181	C18	H182	H183	120.0°	120.0°
H191	C19	H192	H193	119.9°	119.9°
C21	C20	C22	H20	119.3°	120.0°
C20	C21	H211	H212	120.0°	120.0°
C20	C21	H211	H213	120.0°	120.0°
C20	C21	H212	H213	120.0°	119.9°
C21	C20	C22	C23	66.0°	65.1°
C21	C20	C22	H221	173.6°	175.0°
C21	C20	C22	H222	54.5°	54.9°
C22	C20	C21	H211	64.1°	63.6°
C22	C20	C21	H212	56.0°	176.4°
C22	C20	C21	H213	175.9°	56.5°
C20	C22	C23	H221	120.5°	120.0°
C20	C22	C23	H222	120.5°	120.0°
C20	C22	H221	H222	118.6°	120.1°
C20	C22	C23	C24	167.2°	180.0°
C20	C22	C23	H231	73.7°	60.0°
C20	C22	C23	H232	48.1°	60.0°
H20	C20	C21	H211	55.1°	176.3°
H20	C20	C21	H212	175.1°	56.3°
H20	C20	C21	H213	64.9°	63.6°
H20	C20	C22	C23	53.3°	55.0°
H20	C20	C22	H221	67.2°	65.0°
H20	C20	C22	H222	173.8°	175.0°
H211	C21	H212	H213	120.0°	120.1°
C23	C22	H221	H222	118.5°	120.0°
C22	C23	C24	H231	119.1°	120.0°
C22	C23	C24	H232	119.1°	120.0°
C22	C23	H231	H232	122.6°	120.0°
C22	C23	C24	C25	172.2°	180.0°
C22	C23	C24	H241	52.2°	60.0°
C22	C23	C24	H242	67.9°	60.0°
H221	C22	C23	C24	46.7°	60.0°
H221	C22	C23	H231	165.9°	180.0°
H221	C22	C23	H232	72.4°	60.0°
H222	C22	C23	C24	72.3°	60.0°
H222	C22	C23	H231	46.8°	60.0°
H222	C22	C23	H232	168.6°	180.0°
C24	C23	H231	H232	122.6°	120.0°
C23	C24	C25	H241	119.9°	120.1°
C23	C24	C25	H242	120.0°	120.0°
C23	C24	H241	H242	120.2°	120.0°
C23	C24	C25	C26	58.9°	65.1°
C23	C24	C25	C27	173.1°	175.0°
C23	C24	C25	H25	55.1°	55.0°
H231	C23	C24	C25	68.7°	60.0°
H231	C23	C24	H241	171.3°	180.0°
H231	C23	C24	H242	51.2°	60.0°
H232	C23	C24	C25	53.1°	60.0°
H232	C23	C24	H241	66.9°	60.0°
H232	C23	C24	H242	173.0°	180.0°
C25	C24	H241	H242	120.1°	119.9°
C24	C25	C26	C27	128.0°	120.0°
C24	C25	C26	H25	114.1°	120.0°
C24	C25	C27	H25	117.9°	120.0°
C24	C25	C26	H261	180.0°	60.1°
C24	C25	C26	H262	60.0°	60.0°
C24	C25	C26	H263	60.0°	179.9°
C24	C25	C27	H271	180.0°	60.0°
C24	C25	C27	H272	60.0°	180.0°
C24	C25	C27	H273	60.0°	60.0°
H241	C24	C25	C26	178.8°	55.0°
H241	C24	C25	C27	53.1°	64.9°
H241	C24	C25	H25	64.8°	175.0°
H242	C24	C25	C26	61.1°	174.9°
H242	C24	C25	C27	67.0°	55.0°
H242	C24	C25	H25	175.1°	65.0°
C26	C25	C27	H25	117.9°	120.1°
C25	C26	H261	H262	120.0°	120.0°
C25	C26	H261	H263	120.0°	119.9°
C25	C26	H262	H263	120.0°	120.1°
C26	C25	C27	H271	55.8°	180.0°
C26	C25	C27	H272	175.8°	60.0°
C26	C25	C27	H273	64.2°	60.0°
C27	C25	C26	H261	52.0°	180.0°
C27	C25	C26	H262	68.0°	60.0°
C27	C25	C26	H263	172.0°	60.1°
C25	C27	H271	H272	120.0°	120.0°
C25	C27	H271	H273	120.0°	120.0°
C25	C27	H272	H273	120.0°	119.9°
H25	C25	C26	H261	65.9°	59.9°
H25	C25	C26	H262	174.1°	179.9°
H25	C25	C26	H263	54.1°	60.0°
H25	C25	C27	H271	62.1°	60.0°
H25	C25	C27	H272	57.9°	60.1°
H25	C25	C27	H273	177.9°	180.0°
H261	C26	H262	H263	120.0°	119.9°
H271	C27	H272	H273	119.9°	120.1°

Definition date:	2002-05-16
Last modified:	2026-08-14
Release status:	REL
Processing site:	RCSB
Derived from:	1LRI