Obsolete: RAW

RAW was replaced with ECH on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.53Å	1.55Å
C1	C32	sing	1.53Å	1.55Å
C1	C6	sing	1.50Å	1.57Å
C1	C31	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.50Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.49Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	C5	sing	1.50Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	C33	sing	1.51Å	1.53Å
C5	C6	doub	1.32Å	1.37Å
C6	C7	sing	1.42Å	1.50Å
C7	C8	doub	1.36Å	1.35Å
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.41Å	1.47Å
C8	H8	sing	1.08Å	1.08Å
C9	C10	doub	1.37Å	1.33Å
C9	C34	sing	1.51Å	1.50Å
C10	C11	sing	1.40Å	1.43Å
C10	H10	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.34Å
C11	H11	sing	1.08Å	1.08Å
C12	C13	sing	1.40Å	1.44Å
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.33Å
C13	C35	sing	1.51Å	1.49Å
C14	C15	sing	1.40Å	1.43Å
C14	H14	sing	1.08Å	1.08Å
C15	C16	doub	1.38Å	1.44Å
C15	H15	sing	1.08Å	1.08Å
C16	C17	sing	1.40Å	1.46Å
C16	H16	sing	1.08Å	1.08Å
C17	C18	doub	1.38Å	1.37Å
C17	H17	sing	1.08Å	1.08Å
C36	C18	sing	1.51Å	1.50Å
C18	C19	sing	1.40Å	1.43Å
C19	C20	doub	1.38Å	1.37Å
C19	H19	sing	1.08Å	1.08Å
C20	C21	sing	1.39Å	1.47Å
C20	H20	sing	1.08Å	1.08Å
C21	C22	doub	1.38Å	1.35Å
C21	H21	sing	1.08Å	1.08Å
C37	C22	sing	1.51Å	1.50Å
C22	C23	sing	1.39Å	1.44Å
C23	C24	doub	1.38Å	1.36Å
C23	H23	sing	1.08Å	1.08Å
C24	C25	sing	1.39Å	1.51Å
C24	H24	sing	1.08Å	1.08Å
C30	C25	sing	1.51Å	1.55Å
C25	C26	doub	1.38Å	1.35Å
C26	C38	sing	1.51Å	1.52Å
C26	C27	sing	1.39Å	1.48Å
C28	C27	sing	1.51Å	1.47Å
C27	O27	doub	1.22Å	1.24Å
C29	C28	sing	1.53Å	1.46Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C30	C29	sing	1.53Å	1.51Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C39	C30	sing	1.53Å	1.50Å
C40	C30	sing	1.53Å	1.50Å
C31	H31	sing	1.09Å	1.10Å
C31	H31A	sing	1.09Å	1.10Å
C31	H31B	sing	1.09Å	1.10Å
C32	H32	sing	1.09Å	1.10Å
C32	H32A	sing	1.09Å	1.10Å
C32	H32B	sing	1.09Å	1.10Å
C33	H33	sing	1.09Å	1.10Å
C33	H33A	sing	1.09Å	1.10Å
C33	H33B	sing	1.09Å	1.10Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C34	H34B	sing	1.09Å	1.10Å
C35	H35	sing	1.09Å	1.10Å
C35	H35A	sing	1.09Å	1.10Å
C35	H35B	sing	1.09Å	1.10Å
C36	H36	sing	1.09Å	1.10Å
C36	H36A	sing	1.09Å	1.10Å
C36	H36B	sing	1.09Å	1.10Å
C37	H37	sing	1.09Å	1.10Å
C37	H37A	sing	1.09Å	1.10Å
C37	H37B	sing	1.09Å	1.10Å
C38	H38	sing	1.09Å	1.10Å
C38	H38A	sing	1.09Å	1.10Å
C38	H38B	sing	1.09Å	1.10Å
C39	H39	sing	1.09Å	1.10Å
C39	H39A	sing	1.09Å	1.10Å
C39	H39B	sing	1.09Å	1.10Å
C40	H40	sing	1.09Å	1.10Å
C40	H40A	sing	1.09Å	1.10Å
C40	H40B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C32	110.1°	109.4°
C2	C1	C6	109.7°	110.1°
C2	C1	C31	108.1°	109.3°
C1	C2	C3	115.2°	108.6°
C1	C2	H2	107.6°	109.7°
C1	C2	H2A	107.6°	109.6°
C32	C1	C6	109.4°	109.3°
C32	C1	C31	109.5°	109.4°
C1	C32	H32	109.5°	109.4°
C1	C32	H32A	109.4°	109.4°
C1	C32	H32B	109.5°	109.5°
C6	C1	C31	110.0°	109.4°
C1	C6	C5	122.3°	123.7°
C1	C6	C7	113.4°	118.2°
C1	C31	H31	109.5°	109.4°
C1	C31	H31A	109.4°	109.4°
C1	C31	H31B	109.5°	109.5°
C3	C2	H2	107.6°	109.6°
C3	C2	H2A	107.6°	109.8°
C2	C3	C4	112.7°	108.5°
C2	C3	H3	108.4°	109.6°
C2	C3	H3A	108.4°	109.7°
H2	C2	H2A	111.3°	109.6°
C4	C3	H3	108.4°	109.6°
C4	C3	H3A	108.4°	109.6°
C3	C4	C5	113.1°	110.2°
C3	C4	H4	108.3°	109.4°
C3	C4	H4A	108.3°	109.3°
H3	C3	H3A	110.5°	109.7°
C5	C4	H4	108.3°	109.4°
C5	C4	H4A	108.3°	109.4°
C4	C5	C33	110.0°	118.2°
C4	C5	C6	122.8°	123.7°
H4	C4	H4A	110.7°	109.2°
C33	C5	C6	126.9°	118.1°
C5	C33	H33	109.5°	109.4°
C5	C33	H33A	109.5°	109.5°
C5	C33	H33B	109.5°	109.5°
C5	C6	C7	124.1°	118.2°
C6	C7	C8	127.4°	120.0°
C6	C7	H7	116.3°	120.0°
C8	C7	H7	116.3°	120.0°
C7	C8	C9	122.3°	120.0°
C7	C8	H8	118.9°	120.0°
C9	C8	H8	118.8°	120.0°
C8	C9	C10	119.9°	120.0°
C8	C9	C34	124.8°	120.0°
C10	C9	C34	115.2°	120.0°
C9	C10	C11	125.5°	120.0°
C9	C10	H10	117.3°	119.9°
C9	C34	H34	109.5°	109.4°
C9	C34	H34A	109.5°	109.5°
C9	C34	H34B	109.5°	109.5°
C11	C10	H10	117.2°	120.0°
C10	C11	C12	116.1°	120.0°
C10	C11	H11	121.9°	120.0°
C12	C11	H11	121.9°	120.0°
C11	C12	C13	129.9°	120.0°
C11	C12	H12	115.1°	120.0°
C13	C12	H12	115.1°	120.0°
C12	C13	C14	119.9°	120.0°
C12	C13	C35	117.0°	120.0°
C14	C13	C35	122.7°	120.0°
C13	C14	C15	124.7°	120.0°
C13	C14	H14	117.7°	120.0°
C13	C35	H35	109.5°	109.5°
C13	C35	H35A	109.5°	109.5°
C13	C35	H35B	109.5°	109.5°
C15	C14	H14	117.6°	120.0°
C14	C15	C16	123.8°	120.0°
C14	C15	H15	118.1°	120.0°
C16	C15	H15	118.1°	120.0°
C15	C16	C17	125.1°	120.0°
C15	C16	H16	117.5°	120.0°
C17	C16	H16	117.5°	119.9°
C16	C17	C18	127.8°	120.0°
C16	C17	H17	116.1°	119.9°
C18	C17	H17	116.1°	120.0°
C17	C18	C36	117.1°	120.0°
C17	C18	C19	122.7°	120.0°
C36	C18	C19	120.1°	120.0°
C18	C36	H36	109.5°	109.4°
C18	C36	H36A	109.5°	109.5°
C18	C36	H36B	109.4°	109.5°
C18	C19	C20	127.3°	120.0°
C18	C19	H19	116.4°	120.0°
C20	C19	H19	116.4°	120.0°
C19	C20	C21	121.8°	120.0°
C19	C20	H20	119.1°	120.0°
C21	C20	H20	119.1°	120.0°
C20	C21	C22	125.0°	120.0°
C20	C21	H21	117.5°	120.0°
C22	C21	H21	117.5°	120.0°
C21	C22	C37	118.4°	120.0°
C21	C22	C23	123.8°	120.0°
C37	C22	C23	117.3°	120.0°
C22	C37	H37	109.5°	109.5°
C22	C37	H37A	109.5°	109.5°
C22	C37	H37B	109.5°	109.5°
C22	C23	C24	121.0°	120.0°
C22	C23	H23	119.5°	120.0°
C24	C23	H23	119.5°	120.0°
C23	C24	C25	124.9°	120.0°
C23	C24	H24	117.5°	120.0°
C25	C24	H24	117.6°	120.0°
C24	C25	C30	116.1°	119.6°
C24	C25	C26	125.6°	119.6°
C30	C25	C26	117.7°	120.8°
C25	C30	C29	111.0°	109.2°
C25	C30	C39	109.0°	109.5°
C25	C30	C40	115.7°	109.4°
C25	C26	C38	118.7°	119.3°
C25	C26	C27	122.6°	121.4°
C38	C26	C27	118.6°	119.3°
C26	C38	H38	109.5°	109.5°
C26	C38	H38A	109.5°	109.5°
C26	C38	H38B	109.4°	109.5°
C26	C27	C28	121.5°	120.7°
C26	C27	O27	124.0°	119.7°
C28	C27	O27	114.4°	119.6°
C27	C28	C29	113.1°	109.3°
C27	C28	H28	108.3°	109.5°
C27	C28	H28A	108.3°	109.5°
C29	C28	H28	108.3°	109.5°
C29	C28	H28A	108.2°	109.6°
C28	C29	C30	118.9°	108.8°
C28	C29	H29	106.4°	109.6°
C28	C29	H29A	106.4°	109.6°
H28	C28	H28A	110.7°	109.5°
C30	C29	H29	106.5°	109.8°
C30	C29	H29A	106.5°	109.6°
C29	C30	C39	112.0°	109.7°
C29	C30	C40	107.1°	109.4°
H29	C29	H29A	112.3°	109.5°
C39	C30	C40	101.8°	109.5°
C30	C39	H39	109.5°	109.5°
C30	C39	H39A	109.5°	109.5°
C30	C39	H39B	109.5°	109.5°
C30	C40	H40	109.5°	109.5°
C30	C40	H40A	109.5°	109.4°
C30	C40	H40B	109.5°	109.4°
H31	C31	H31A	109.4°	109.5°
H31	C31	H31B	109.5°	109.4°
H31A	C31	H31B	109.5°	109.5°
H32	C32	H32A	109.4°	109.5°
H32	C32	H32B	109.5°	109.5°
H32A	C32	H32B	109.5°	109.5°
H33	C33	H33A	109.4°	109.5°
H33	C33	H33B	109.5°	109.5°
H33A	C33	H33B	109.5°	109.5°
H34	C34	H34A	109.5°	109.5°
H34	C34	H34B	109.4°	109.5°
H34A	C34	H34B	109.5°	109.5°
H35	C35	H35A	109.5°	109.5°
H35	C35	H35B	109.5°	109.4°
H35A	C35	H35B	109.5°	109.5°
H36	C36	H36A	109.5°	109.5°
H36	C36	H36B	109.5°	109.5°
H36A	C36	H36B	109.5°	109.5°
H37	C37	H37A	109.5°	109.5°
H37	C37	H37B	109.4°	109.5°
H37A	C37	H37B	109.5°	109.4°
H38	C38	H38A	109.4°	109.5°
H38	C38	H38B	109.5°	109.4°
H38A	C38	H38B	109.5°	109.4°
H39	C39	H39A	109.5°	109.4°
H39	C39	H39B	109.5°	109.5°
H39A	C39	H39B	109.5°	109.5°
H40	C40	H40A	109.4°	109.5°
H40	C40	H40B	109.5°	109.5°
H40A	C40	H40B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C32	C6	120.6°	120.7°
C2	C1	C32	C31	118.7°	119.6°
C2	C1	C6	C31	118.7°	120.1°
C1	C2	C3	H2	120.0°	119.8°
C1	C2	C3	H2A	120.0°	119.8°
C1	C2	H2	H2A	117.7°	120.4°
C1	C2	C3	C4	57.6°	68.2°
C1	C2	C3	H3	177.6°	51.5°
C1	C2	C3	H3A	62.4°	172.0°
C2	C1	C6	C5	18.7°	17.2°
C2	C1	C6	C7	167.1°	162.8°
C2	C1	C31	H31	180.0°	59.7°
C2	C1	C31	H31A	60.0°	60.3°
C2	C1	C31	H31B	60.0°	179.6°
C2	C1	C32	H32	180.0°	66.3°
C2	C1	C32	H32A	60.0°	53.7°
C2	C1	C32	H32B	60.0°	173.7°
C32	C1	C6	C31	120.4°	119.7°
C32	C1	C2	C3	77.8°	170.0°
C32	C1	C2	H2	162.2°	70.2°
C32	C1	C2	H2A	42.2°	50.1°
C32	C1	C6	C5	102.2°	137.4°
C32	C1	C6	C7	72.1°	42.6°
C32	C1	C31	H31	60.1°	60.0°
C32	C1	C31	H31A	59.9°	180.0°
C32	C1	C31	H31B	179.9°	59.9°
C1	C32	H32	H32A	120.0°	119.9°
C1	C32	H32	H32B	120.0°	120.0°
C1	C32	H32A	H32B	120.0°	120.0°
C6	C1	C2	C3	42.7°	49.8°
C6	C1	C2	H2	77.3°	169.6°
C6	C1	C2	H2A	162.7°	70.0°
C1	C6	C5	C4	8.5°	0.4°
C1	C6	C5	C33	178.7°	179.6°
C1	C6	C5	C7	173.7°	180.0°
C1	C6	C7	C8	129.0°	123.8°
C1	C6	C7	H7	51.0°	56.2°
C6	C1	C31	H31	60.3°	179.7°
C6	C1	C31	H31A	179.8°	60.3°
C6	C1	C31	H31B	59.8°	59.7°
C6	C1	C32	H32	59.3°	54.4°
C6	C1	C32	H32A	60.6°	174.3°
C6	C1	C32	H32B	179.3°	65.7°
C31	C1	C2	C3	162.7°	70.3°
C31	C1	C2	H2	42.7°	49.5°
C31	C1	C2	H2A	77.4°	169.8°
C31	C1	C6	C5	137.4°	102.9°
C31	C1	C6	C7	48.3°	77.1°
C1	C31	H31	H31A	120.0°	120.0°
C1	C31	H31	H31B	120.0°	120.0°
C1	C31	H31A	H31B	120.0°	120.0°
C31	C1	C32	H32	61.4°	174.1°
C31	C1	C32	H32A	178.7°	66.0°
C31	C1	C32	H32B	58.6°	54.1°
C3	C2	H2	H2A	117.6°	120.5°
C2	C3	C4	H3	120.0°	119.7°
C2	C3	C4	H3A	120.0°	119.8°
C2	C3	H3	H3A	118.7°	120.5°
C2	C3	C4	C5	43.5°	49.8°
C2	C3	C4	H4	76.5°	170.1°
C2	C3	C4	H4A	163.5°	70.4°
H2	C2	C3	C4	62.4°	172.0°
H2	C2	C3	H3	57.6°	68.3°
H2	C2	C3	H3A	177.6°	52.3°
H2A	C2	C3	C4	177.6°	51.6°
H2A	C2	C3	H3	62.4°	171.3°
H2A	C2	C3	H3A	57.6°	68.1°
C4	C3	H3	H3A	118.7°	120.4°
C3	C4	C5	H4	120.0°	120.3°
C3	C4	C5	H4A	120.0°	120.2°
C3	C4	H4	H4A	118.5°	119.6°
C3	C4	C5	C33	165.7°	162.8°
C3	C4	C5	C6	20.4°	17.1°
H3	C3	C4	C5	163.5°	69.9°
H3	C3	C4	H4	43.5°	50.3°
H3	C3	C4	H4A	76.5°	169.9°
H3A	C3	C4	C5	76.5°	169.6°
H3A	C3	C4	H4	163.5°	70.2°
H3A	C3	C4	H4A	43.5°	49.4°
C5	C4	H4	H4A	118.5°	119.6°
C4	C5	C33	C6	173.5°	179.9°
C4	C5	C6	C7	177.8°	179.6°
C4	C5	C33	H33	180.0°	4.2°
C4	C5	C33	H33A	60.0°	115.8°
C4	C5	C33	H33B	60.0°	124.2°
H4	C4	C5	C33	74.3°	42.5°
H4	C4	C5	C6	99.5°	137.4°
H4A	C4	C5	C33	45.7°	77.0°
H4A	C4	C5	C6	140.4°	103.0°
C33	C5	C6	C7	5.0°	0.4°
C5	C33	H33	H33A	120.0°	120.0°
C5	C33	H33	H33B	120.0°	120.0°
C5	C33	H33A	H33B	120.0°	120.0°
C5	C6	C7	C8	56.8°	56.2°
C5	C6	C7	H7	123.2°	123.8°
C6	C5	C33	H33	6.4°	175.7°
C6	C5	C33	H33A	113.5°	64.3°
C6	C5	C33	H33B	126.5°	55.7°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	178.7°	174.8°
C6	C7	C8	H8	1.2°	5.2°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	175.0°	180.0°
C7	C8	C9	C34	0.3°	0.0°
H7	C7	C8	C9	1.3°	5.2°
H7	C7	C8	H8	178.8°	174.8°
C8	C9	C10	C34	175.8°	180.0°
C8	C9	C10	C11	179.7°	180.0°
C8	C9	C10	H10	0.3°	0.0°
C8	C9	C34	H34	180.0°	90.0°
C8	C9	C34	H34A	60.0°	150.0°
C8	C9	C34	H34B	60.0°	30.0°
H8	C8	C9	C10	5.0°	0.0°
H8	C8	C9	C34	179.6°	180.0°
C9	C10	C11	H10	180.0°	180.0°
C9	C10	C11	C12	158.8°	180.0°
C9	C10	C11	H11	21.2°	0.0°
C10	C9	C34	H34	4.4°	90.0°
C10	C9	C34	H34A	124.4°	30.0°
C10	C9	C34	H34B	115.6°	150.0°
C34	C9	C10	C11	3.9°	0.0°
C34	C9	C10	H10	176.1°	180.0°
C9	C34	H34	H34A	120.0°	120.0°
C9	C34	H34	H34B	120.0°	120.0°
C9	C34	H34A	H34B	120.0°	120.0°
C10	C11	C12	H11	180.0°	180.0°
C10	C11	C12	C13	170.9°	180.0°
C10	C11	C12	H12	9.1°	0.0°
H10	C10	C11	C12	21.1°	0.0°
H10	C10	C11	H11	158.8°	180.0°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	171.4°	180.0°
C11	C12	C13	C35	15.6°	0.0°
H11	C11	C12	C13	9.1°	0.0°
H11	C11	C12	H12	170.9°	179.9°
C12	C13	C14	C35	172.6°	180.0°
C12	C13	C14	C15	169.8°	180.0°
C12	C13	C14	H14	10.2°	0.0°
C12	C13	C35	H35	180.0°	89.9°
C12	C13	C35	H35A	60.0°	150.0°
C12	C13	C35	H35B	60.0°	30.0°
H12	C12	C13	C14	8.5°	0.0°
H12	C12	C13	C35	164.4°	180.0°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	168.2°	180.0°
C13	C14	C15	H15	11.8°	0.1°
C14	C13	C35	H35	7.2°	90.1°
C14	C13	C35	H35A	112.8°	30.0°
C14	C13	C35	H35B	127.2°	150.0°
C35	C13	C14	C15	2.8°	0.0°
C35	C13	C14	H14	177.3°	180.0°
C13	C35	H35	H35A	120.0°	120.1°
C13	C35	H35	H35B	120.0°	120.0°
C13	C35	H35A	H35B	120.0°	120.0°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	171.4°	180.0°
C14	C15	C16	H16	8.6°	0.0°
H14	C14	C15	C16	11.8°	0.1°
H14	C14	C15	H15	168.2°	180.0°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	171.5°	180.0°
C15	C16	C17	H17	8.5°	0.0°
H15	C15	C16	C17	8.5°	0.0°
H15	C15	C16	H16	171.4°	179.9°
C16	C17	C18	H17	180.0°	179.9°
C16	C17	C18	C36	7.6°	0.1°
C16	C17	C18	C19	170.0°	180.0°
H16	C16	C17	C18	8.5°	0.0°
H16	C16	C17	H17	171.5°	179.9°
C17	C18	C36	C19	177.6°	179.9°
C17	C18	C19	C20	175.9°	179.9°
C17	C18	C19	H19	4.1°	0.0°
C17	C18	C36	H36	180.0°	90.0°
C17	C18	C36	H36A	60.0°	149.9°
C17	C18	C36	H36B	60.0°	29.9°
H17	C17	C18	C36	172.4°	180.0°
H17	C17	C18	C19	10.0°	0.1°
C36	C18	C19	C20	6.6°	0.0°
C36	C18	C19	H19	173.4°	180.0°
C18	C36	H36	H36A	120.0°	120.0°
C18	C36	H36	H36B	120.0°	120.0°
C18	C36	H36A	H36B	120.0°	120.0°
C18	C19	C20	H19	180.0°	180.0°
C18	C19	C20	C21	175.6°	180.0°
C18	C19	C20	H20	4.4°	0.0°
C19	C18	C36	H36	2.4°	90.0°
C19	C18	C36	H36A	122.4°	30.0°
C19	C18	C36	H36B	117.7°	150.0°
C19	C20	C21	H20	180.0°	180.0°
C19	C20	C21	C22	173.7°	180.0°
C19	C20	C21	H21	6.3°	0.0°
H19	C19	C20	C21	4.4°	0.0°
H19	C19	C20	H20	175.6°	180.0°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	C37	0.8°	0.0°
C20	C21	C22	C23	171.1°	180.0°
H20	C20	C21	C22	6.3°	0.0°
H20	C20	C21	H21	173.7°	179.9°
C21	C22	C37	C23	172.5°	180.0°
C21	C22	C23	C24	176.8°	180.0°
C21	C22	C23	H23	3.2°	0.1°
C21	C22	C37	H37	180.0°	90.0°
C21	C22	C37	H37A	60.0°	150.0°
C21	C22	C37	H37B	60.0°	30.0°
H21	C21	C22	C37	179.2°	180.0°
H21	C21	C22	C23	8.8°	0.1°
C37	C22	C23	C24	4.8°	0.0°
C37	C22	C23	H23	175.2°	180.0°
C22	C37	H37	H37A	120.0°	120.0°
C22	C37	H37	H37B	120.0°	120.0°
C22	C37	H37A	H37B	120.0°	120.0°
C22	C23	C24	H23	180.0°	179.9°
C22	C23	C24	C25	174.7°	175.2°
C22	C23	C24	H24	5.3°	4.8°
C23	C22	C37	H37	7.5°	90.0°
C23	C22	C37	H37A	127.6°	30.0°
C23	C22	C37	H37B	112.5°	150.0°
C23	C24	C25	H24	180.0°	179.9°
C23	C24	C25	C30	57.8°	123.6°
C23	C24	C25	C26	131.8°	56.0°
H23	C23	C24	C25	5.2°	4.9°
H23	C23	C24	H24	174.7°	175.2°
C24	C25	C30	C26	171.2°	179.7°
C24	C25	C26	C38	7.2°	0.1°
C24	C25	C26	C27	176.8°	179.9°
C24	C25	C30	C29	156.8°	150.4°
C24	C25	C30	C39	79.4°	89.5°
C24	C25	C30	C40	34.6°	30.6°
H24	C24	C25	C30	122.3°	56.3°
H24	C24	C25	C26	48.2°	124.0°
C30	C25	C26	C38	177.5°	179.6°
C30	C25	C26	C27	6.5°	0.4°
C25	C30	C29	C28	47.2°	58.0°
C25	C30	C29	C39	122.1°	120.0°
C25	C30	C29	C40	127.1°	119.8°
C25	C30	C29	H29	72.8°	62.0°
C25	C30	C29	H29A	167.2°	177.7°
C25	C30	C39	C40	122.7°	120.0°
C25	C30	C39	H39	180.0°	60.0°
C25	C30	C39	H39A	60.0°	180.0°
C25	C30	C39	H39B	60.0°	60.0°
C25	C30	C40	H40	180.0°	60.2°
C25	C30	C40	H40A	60.0°	179.8°
C25	C30	C40	H40B	60.0°	59.8°
C25	C26	C38	C27	176.2°	180.0°
C25	C26	C27	C28	8.1°	0.1°
C25	C26	C27	O27	175.2°	179.9°
C26	C25	C30	C29	32.0°	30.0°
C26	C25	C30	C39	91.8°	90.2°
C26	C25	C30	C40	154.2°	149.7°
C25	C26	C38	H38	180.0°	90.0°
C25	C26	C38	H38A	60.0°	149.9°
C25	C26	C38	H38B	60.0°	30.0°
C38	C26	C27	C28	167.9°	180.0°
C38	C26	C27	O27	8.8°	0.1°
C26	C38	H38	H38A	120.0°	120.0°
C26	C38	H38	H38B	120.0°	120.0°
C26	C38	H38A	H38B	120.0°	120.0°
C26	C27	C28	O27	177.0°	179.9°
C26	C27	C28	C29	5.5°	29.4°
C26	C27	C28	H28	125.5°	149.3°
C26	C27	C28	H28A	114.5°	90.7°
C27	C26	C38	H38	3.8°	90.0°
C27	C26	C38	H38A	116.2°	30.0°
C27	C26	C38	H38B	123.8°	150.0°
C27	C28	C29	H28	120.0°	119.9°
C27	C28	C29	H28A	120.0°	120.0°
C27	C28	H28	H28A	118.5°	120.1°
C27	C28	C29	C30	34.0°	57.7°
C27	C28	C29	H29	86.0°	62.4°
C27	C28	C29	H29A	154.0°	177.4°
O27	C27	C28	C29	171.5°	150.6°
O27	C27	C28	H28	51.5°	30.7°
O27	C27	C28	H28A	68.5°	89.4°
C29	C28	H28	H28A	118.5°	120.2°
C28	C29	C30	H29	120.0°	119.9°
C28	C29	C30	H29A	120.0°	119.7°
C28	C29	H29	H29A	116.1°	120.3°
C28	C29	C30	C39	74.9°	62.1°
C28	C29	C30	C40	174.3°	177.7°
H28	C28	C29	C30	154.0°	177.6°
H28	C28	C29	H29	34.0°	57.6°
H28	C28	C29	H29A	86.0°	62.7°
H28A	C28	C29	C30	86.0°	62.4°
H28A	C28	C29	H29	154.0°	177.6°
H28A	C28	C29	H29A	34.0°	57.4°
C30	C29	H29	H29A	116.1°	120.3°
C29	C30	C39	C40	114.1°	120.1°
C29	C30	C39	H39	56.8°	179.8°
C29	C30	C39	H39A	63.2°	60.2°
C29	C30	C39	H39B	176.8°	59.8°
C29	C30	C40	H40	55.7°	59.4°
C29	C30	C40	H40A	175.7°	60.6°
C29	C30	C40	H40B	64.3°	179.4°
H29	C29	C30	C39	165.1°	178.0°
H29	C29	C30	C40	54.3°	57.8°
H29A	C29	C30	C39	45.1°	57.7°
H29A	C29	C30	C40	65.7°	62.5°
C30	C39	H39	H39A	120.0°	120.0°
C30	C39	H39	H39B	120.0°	120.0°
C30	C39	H39A	H39B	120.0°	120.0°
C39	C30	C40	H40	61.9°	179.7°
C39	C30	C40	H40A	58.1°	59.7°
C39	C30	C40	H40B	178.1°	60.2°
C40	C30	C39	H39	57.3°	60.0°
C40	C30	C39	H39A	177.3°	60.0°
C40	C30	C39	H39B	62.7°	179.9°
C30	C40	H40	H40A	120.0°	120.0°
C30	C40	H40	H40B	120.0°	120.0°
C30	C40	H40A	H40B	120.0°	119.9°
H31	C31	H31A	H31B	120.0°	120.0°
H32	C32	H32A	H32B	120.0°	120.1°
H33	C33	H33A	H33B	120.0°	120.0°
H34	C34	H34A	H34B	120.0°	120.1°
H35	C35	H35A	H35B	120.0°	120.0°
H36	C36	H36A	H36B	120.0°	120.1°
H37	C37	H37A	H37B	120.0°	120.0°
H38	C38	H38A	H38B	120.0°	120.0°
H39	C39	H39A	H39B	120.0°	119.9°
H40	C40	H40A	H40B	120.0°	120.1°

Definition date:	2009-07-09
Last modified:	2010-04-07
Release status:	OBS
Processing site:	RCSB
Replaced by:	ECH
Derived from:	3I1V