Obsolete: RNY

RNY was replaced with AQZ on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	sing	1.43Å	1.43Å
O2	C3	sing	1.36Å	1.40Å
C3	C4	doub	1.38Å	1.41Å	Aromatic
C3	C35	sing	1.40Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.39Å	Aromatic
C5	N6	doub	1.34Å	1.33Å	Aromatic
C5	C33	sing	1.42Å	1.41Å	Aromatic
N6	C7	sing	1.31Å	1.32Å	Aromatic
C7	N8	doub	1.32Å	1.34Å	Aromatic
N8	C9	sing	1.33Å	1.34Å	Aromatic
C9	N10	sing	1.38Å	1.41Å
C9	C33	doub	1.42Å	1.39Å	Aromatic
N10	C11	sing	1.40Å	1.40Å
C11	C12	sing	1.39Å	1.40Å	Aromatic
C11	C31	doub	1.39Å	1.43Å	Aromatic
C12	C13	doub	1.39Å	1.40Å	Aromatic
C13	N14	sing	1.40Å	1.41Å
C13	C29	sing	1.39Å	1.39Å	Aromatic
N14	C15	sing	1.35Å	1.38Å
C15	O16	doub	1.22Å	1.25Å
C15	C17	sing	1.48Å	1.51Å
C17	C18	doub	1.40Å	1.41Å	Aromatic
C17	C22	sing	1.40Å	1.40Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
C19	N20	doub	1.32Å	1.38Å	Aromatic
N20	C21	sing	1.32Å	1.35Å	Aromatic
C21	C22	doub	1.39Å	1.41Å	Aromatic
C21	N23	sing	1.39Å	1.42Å
N23	C24	sing	1.47Å	1.49Å
N23	C28	sing	1.47Å	1.46Å
C24	C25	sing	1.53Å	1.56Å
C25	O26	sing	1.43Å	1.43Å
O26	C27	sing	1.43Å	1.44Å
C27	C28	sing	1.53Å	1.51Å
C29	C30	doub	1.38Å	1.38Å	Aromatic
C30	C31	sing	1.38Å	1.38Å	Aromatic
C31	C32	sing	1.51Å	1.52Å
C33	C34	sing	1.40Å	1.42Å	Aromatic
C34	C35	doub	1.37Å	1.43Å	Aromatic
C35	O36	sing	1.36Å	1.36Å
O36	C37	sing	1.43Å	1.43Å
C37	C38	sing	1.53Å	1.55Å
C38	N39	sing	1.47Å	1.47Å
N39	C40	sing	1.48Å	1.47Å
N39	C43	sing	1.49Å	1.47Å
C40	C41	sing	1.54Å	1.52Å
C41	C42	sing	1.55Å	1.53Å
C42	C43	sing	1.55Å	1.54Å
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
N10	H10	sing	0.97Å	1.00Å
C12	H12	sing	1.08Å	1.08Å
N14	H14	sing	0.97Å	1.00Å
C29	H29	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C24	H241	sing	1.09Å	1.10Å
C24	H242	sing	1.09Å	1.10Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C30	H30	sing	1.08Å	1.08Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C32	H323	sing	1.09Å	1.10Å
C34	H34	sing	1.08Å	1.08Å
C37	H371	sing	1.09Å	1.10Å
C37	H372	sing	1.09Å	1.10Å
C38	H381	sing	1.09Å	1.10Å
C38	H382	sing	1.09Å	1.10Å
C40	H401	sing	1.09Å	1.10Å
C40	H402	sing	1.09Å	1.10Å
C43	H431	sing	1.09Å	1.10Å
C43	H432	sing	1.09Å	1.10Å
C41	H411	sing	1.09Å	1.10Å
C41	H412	sing	1.09Å	1.10Å
C42	H421	sing	1.09Å	1.10Å
C42	H422	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O2	C3	120.1°	117.0°
O2	C1	H11C	109.5°	109.5°
O2	C1	H12C	109.4°	109.5°
O2	C1	H13C	109.5°	109.4°
O2	C3	C4	126.9°	119.6°
O2	C3	C35	115.1°	119.7°
C4	C3	C35	118.0°	120.7°
C3	C4	C5	122.1°	119.5°
C3	C4	H4	118.9°	120.2°
C3	C35	C34	121.3°	120.8°
C3	C35	O36	113.3°	119.6°
C4	C5	N6	116.8°	121.8°
C4	C5	C33	120.0°	119.5°
C5	C4	H4	118.9°	120.2°
N6	C5	C33	123.2°	118.7°
C5	N6	C7	116.9°	120.4°
C5	C33	C9	114.6°	118.2°
C5	C33	C34	120.0°	119.9°
N6	C7	N8	125.4°	123.0°
N6	C7	H7	117.3°	118.5°
C7	N8	C9	117.1°	121.5°
N8	C7	H7	117.3°	118.5°
N8	C9	N10	118.4°	120.9°
N8	C9	C33	122.7°	118.2°
N10	C9	C33	118.8°	120.9°
C9	N10	C11	125.9°	120.0°
C9	N10	H10	117.0°	120.0°
C9	C33	C34	125.4°	121.9°
N10	C11	C12	120.0°	120.0°
N10	C11	C31	119.7°	120.0°
C11	N10	H10	117.1°	120.1°
C12	C11	C31	120.4°	120.0°
C11	C12	C13	119.7°	119.8°
C11	C12	H12	120.2°	120.0°
C11	C31	C30	118.0°	120.0°
C11	C31	C32	125.6°	120.0°
C12	C13	N14	119.1°	120.0°
C12	C13	C29	119.2°	120.0°
C13	C12	H12	120.1°	120.1°
N14	C13	C29	121.7°	120.0°
C13	N14	C15	126.0°	120.0°
C13	N14	H14	117.0°	120.0°
C13	C29	C30	121.2°	120.1°
C13	C29	H29	119.4°	120.0°
N14	C15	O16	124.8°	119.9°
N14	C15	C17	116.1°	120.0°
C15	N14	H14	117.0°	120.0°
O16	C15	C17	119.0°	120.0°
C15	C17	C18	126.6°	120.8°
C15	C17	C22	114.8°	120.9°
C18	C17	C22	118.5°	118.2°
C17	C18	C19	117.5°	119.1°
C17	C18	H18	121.2°	120.4°
C17	C22	C21	121.3°	118.9°
C17	C22	H22	119.4°	120.5°
C18	C19	N20	123.3°	121.0°
C19	C18	H18	121.2°	120.5°
C18	C19	H19	118.4°	119.5°
C19	N20	C21	119.2°	121.9°
N20	C19	H19	118.4°	119.5°
N20	C21	C22	120.1°	120.8°
N20	C21	N23	119.4°	119.6°
C22	C21	N23	120.5°	119.6°
C21	C22	H22	119.4°	120.6°
C21	N23	C24	120.2°	111.0°
C21	N23	C28	116.3°	111.0°
C24	N23	C28	115.7°	110.8°
N23	C24	C25	111.9°	109.2°
N23	C24	H241	108.9°	109.5°
N23	C24	H242	108.9°	109.5°
N23	C28	C27	102.1°	109.2°
N23	C28	H281	111.3°	109.5°
N23	C28	H282	111.2°	109.5°
C24	C25	O26	110.8°	109.3°
C25	C24	H241	108.8°	109.5°
C25	C24	H242	108.8°	109.5°
C24	C25	H251	109.1°	109.5°
C24	C25	H252	109.1°	109.5°
C25	O26	C27	106.9°	113.8°
O26	C25	H251	109.1°	109.5°
O26	C25	H252	109.1°	109.5°
O26	C27	C28	106.1°	109.3°
O26	C27	H271	110.3°	109.5°
O26	C27	H272	110.3°	109.6°
C27	C28	H281	111.3°	109.5°
C27	C28	H282	111.3°	109.6°
C28	C27	H271	110.3°	109.5°
C28	C27	H272	110.3°	109.5°
C29	C30	C31	121.6°	120.1°
C30	C29	H29	119.4°	120.0°
C29	C30	H30	119.2°	119.9°
C30	C31	C32	116.4°	119.9°
C31	C30	H30	119.2°	120.0°
C31	C32	H321	109.5°	109.5°
C31	C32	H322	109.5°	109.5°
C31	C32	H323	109.5°	109.5°
C33	C34	C35	118.5°	119.6°
C33	C34	H34	120.7°	120.2°
C34	C35	O36	125.4°	119.6°
C35	C34	H34	120.7°	120.2°
C35	O36	C37	115.0°	117.0°
O36	C37	C38	110.6°	109.4°
O36	C37	H371	109.2°	109.5°
O36	C37	H372	109.2°	109.5°
C37	C38	N39	113.5°	109.5°
C38	C37	H371	109.2°	109.5°
C38	C37	H372	109.2°	109.5°
C37	C38	H381	108.4°	109.5°
C37	C38	H382	108.4°	109.5°
C38	N39	C40	118.7°	111.0°
C38	N39	C43	117.6°	111.0°
N39	C38	H381	108.4°	109.5°
N39	C38	H382	108.5°	109.4°
C40	N39	C43	104.6°	105.8°
N39	C40	C41	99.0°	107.1°
N39	C40	H401	112.0°	109.9°
N39	C40	H402	112.0°	109.9°
N39	C43	C42	102.3°	103.2°
N39	C43	H431	111.2°	110.7°
N39	C43	H432	111.2°	110.7°
C40	C41	C42	100.2°	105.1°
C41	C40	H401	112.0°	109.9°
C41	C40	H402	112.0°	109.9°
C40	C41	H411	111.8°	110.4°
C40	C41	H412	111.7°	110.4°
C41	C42	C43	106.0°	102.9°
C42	C41	H411	111.7°	110.3°
C42	C41	H412	111.7°	110.3°
C41	C42	H421	110.3°	110.7°
C41	C42	H422	110.3°	110.9°
C42	C43	H431	111.2°	110.6°
C42	C43	H432	111.2°	110.8°
C43	C42	H421	110.3°	110.8°
C43	C42	H422	110.3°	110.7°
H11C	C1	H12C	109.5°	109.5°
H11C	C1	H13C	109.5°	109.5°
H12C	C1	H13C	109.5°	109.5°
H241	C24	H242	109.5°	109.6°
H281	C28	H282	109.5°	109.5°
H251	C25	H252	109.5°	109.5°
H271	C27	H272	109.5°	109.5°
H321	C32	H322	109.5°	109.4°
H321	C32	H323	109.4°	109.5°
H322	C32	H323	109.5°	109.5°
H371	C37	H372	109.5°	109.5°
H381	C38	H382	109.5°	109.5°
H401	C40	H402	109.5°	110.1°
H431	C43	H432	109.5°	110.6°
H411	C41	H412	109.4°	110.2°
H421	C42	H422	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	O2	C3	C4	9.5°	0.0°
C1	O2	C3	C35	171.2°	179.7°
O2	C1	H11C	H12C	120.0°	120.0°
O2	C1	H11C	H13C	120.0°	120.0°
O2	C1	H12C	H13C	120.0°	119.9°
O2	C3	C4	C35	179.3°	179.7°
O2	C3	C4	C5	180.0°	180.0°
O2	C3	C35	C34	179.8°	179.7°
O2	C3	C35	O36	0.3°	0.0°
C3	O2	C1	H11C	180.0°	180.0°
C3	O2	C1	H12C	60.0°	59.9°
C3	O2	C1	H13C	60.0°	60.0°
O2	C3	C4	H4	0.1°	0.1°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	N6	179.8°	180.0°
C3	C4	C5	C33	0.0°	0.0°
C4	C3	C35	C34	0.3°	0.5°
C4	C3	C35	O36	179.7°	179.7°
C35	C3	C4	C5	0.7°	0.3°
C3	C35	C34	C33	0.6°	0.5°
C3	C35	C34	O36	179.9°	179.8°
C3	C35	O36	C37	169.7°	180.0°
C35	C3	C4	H4	179.3°	179.8°
C3	C35	C34	H34	179.4°	179.7°
C4	C5	N6	C33	179.9°	179.9°
C4	C5	N6	C7	179.7°	179.9°
C4	C5	C33	C9	179.7°	179.9°
C4	C5	C33	C34	1.0°	0.0°
C5	N6	C7	N8	0.2°	0.0°
N6	C5	C33	C9	0.4°	0.0°
N6	C5	C33	C34	179.2°	179.9°
N6	C5	C4	H4	0.2°	0.1°
C5	N6	C7	H7	179.8°	180.0°
C33	C5	N6	C7	0.2°	0.0°
C5	C33	C9	N8	1.5°	0.0°
C5	C33	C9	N10	178.7°	180.0°
C5	C33	C9	C34	178.7°	179.9°
C5	C33	C34	C35	1.3°	0.2°
C33	C5	C4	H4	179.9°	179.9°
C5	C33	C34	H34	178.7°	179.9°
N6	C7	N8	H7	180.0°	180.0°
N6	C7	N8	C9	1.2°	0.1°
C7	N8	C9	N10	178.4°	180.0°
C7	N8	C9	C33	1.8°	0.1°
N8	C9	N10	C33	179.8°	179.9°
N8	C9	N10	C11	11.1°	6.1°
N8	C9	C33	C34	179.8°	180.0°
C9	N8	C7	H7	178.8°	180.0°
N8	C9	N10	H10	168.9°	173.8°
C9	N10	C11	H10	180.0°	179.9°
C9	N10	C11	C12	116.1°	19.8°
C9	N10	C11	C31	65.9°	159.9°
N10	C9	C33	C34	0.1°	0.1°
C33	C9	N10	C11	168.7°	173.8°
C9	C33	C34	C35	179.9°	179.7°
C33	C9	N10	H10	11.3°	6.3°
C9	C33	C34	H34	0.1°	0.1°
N10	C11	C12	C31	178.0°	179.8°
N10	C11	C12	C13	177.3°	180.0°
N10	C11	C31	C30	177.5°	179.7°
N10	C11	C31	C32	1.2°	0.0°
N10	C11	C12	H12	2.7°	0.1°
C11	C12	C13	H12	180.0°	179.9°
C11	C12	C13	N14	179.9°	180.0°
C11	C12	C13	C29	1.5°	0.0°
C12	C11	C31	C30	0.4°	0.5°
C12	C11	C31	C32	179.1°	179.8°
C12	C11	N10	H10	63.9°	160.3°
C31	C11	C12	C13	0.7°	0.2°
C11	C31	C30	C29	1.0°	0.5°
C11	C31	C30	C32	178.8°	179.7°
C31	C11	N10	H10	114.1°	19.9°
C31	C11	C12	H12	179.3°	179.7°
C11	C31	C30	H30	179.0°	179.7°
C11	C31	C32	H321	89.2°	90.0°
C11	C31	C32	H322	150.8°	150.0°
C11	C31	C32	H323	30.7°	30.0°
C12	C13	N14	C29	178.4°	180.0°
C12	C13	N14	C15	34.9°	146.3°
C12	C13	C29	C30	2.1°	0.0°
C12	C13	N14	H14	145.1°	33.7°
C12	C13	C29	H29	177.9°	180.0°
C13	N14	C15	H14	180.0°	180.0°
C13	N14	C15	O16	0.2°	5.2°
C13	N14	C15	C17	177.2°	174.8°
N14	C13	C29	C30	179.5°	180.0°
N14	C13	C12	H12	0.1°	0.0°
N14	C13	C29	H29	0.5°	0.0°
C29	C13	N14	C15	143.4°	33.7°
C13	C29	C30	H29	180.0°	180.0°
C13	C29	C30	C31	1.9°	0.3°
C29	C13	C12	H12	178.5°	180.0°
C29	C13	N14	H14	36.5°	146.3°
C13	C29	C30	H30	178.1°	180.0°
N14	C15	O16	C17	177.4°	180.0°
N14	C15	C17	C18	28.5°	0.0°
N14	C15	C17	C22	147.4°	179.7°
O16	C15	C17	C18	153.9°	180.0°
O16	C15	C17	C22	30.2°	0.3°
O16	C15	N14	H14	179.8°	174.8°
C15	C17	C18	C22	175.8°	179.7°
C15	C17	C18	C19	178.4°	180.0°
C15	C17	C22	C21	179.1°	179.8°
C17	C15	N14	H14	2.7°	5.2°
C15	C17	C18	H18	1.6°	0.1°
C15	C17	C22	H22	0.9°	0.1°
C17	C18	C19	H18	180.0°	179.9°
C17	C18	C19	N20	0.9°	0.0°
C18	C17	C22	C21	2.8°	0.6°
C18	C17	C22	H22	177.2°	179.7°
C17	C18	C19	H19	179.1°	180.0°
C22	C17	C18	C19	2.6°	0.3°
C17	C22	C21	N20	1.1°	0.6°
C17	C22	C21	H22	180.0°	179.7°
C17	C22	C21	N23	179.4°	179.7°
C22	C17	C18	H18	177.4°	179.7°
C18	C19	N20	H19	180.0°	180.0°
C18	C19	N20	C21	0.8°	0.0°
C19	N20	C21	C22	0.7°	0.3°
C19	N20	C21	N23	178.8°	180.0°
N20	C19	C18	H18	179.1°	180.0°
N20	C21	C22	N23	179.5°	179.8°
N20	C21	N23	C24	27.3°	0.0°
N20	C21	N23	C28	175.2°	123.7°
N20	C21	C22	H22	178.9°	179.8°
C21	N20	C19	H19	179.2°	180.0°
C22	C21	N23	C24	153.3°	179.7°
C22	C21	N23	C28	5.3°	56.1°
C21	N23	C24	C28	148.2°	123.8°
C21	N23	C24	C25	170.1°	177.6°
C21	N23	C28	C27	154.0°	177.6°
N23	C21	C22	H22	0.6°	0.0°
C21	N23	C24	H241	49.7°	57.7°
C21	N23	C24	H242	69.6°	62.5°
C21	N23	C28	H281	87.2°	62.5°
C21	N23	C28	H282	35.2°	57.7°
N23	C24	C25	H241	120.4°	119.9°
N23	C24	C25	H242	120.4°	120.0°
N23	C24	C25	O26	40.1°	56.8°
C24	N23	C28	C27	56.6°	58.6°
N23	C24	H241	H242	118.9°	120.2°
C24	N23	C28	H281	62.2°	61.3°
C24	N23	C28	H282	175.4°	178.6°
N23	C24	C25	H251	80.2°	176.8°
N23	C24	C25	H252	160.3°	63.1°
C28	N23	C24	C25	41.7°	58.6°
N23	C28	C27	O26	74.1°	56.8°
N23	C28	C27	H281	118.8°	119.9°
N23	C28	C27	H282	118.8°	120.0°
C28	N23	C24	H241	162.1°	178.5°
C28	N23	C24	H242	78.6°	61.3°
N23	C28	H281	H282	123.4°	120.1°
N23	C28	C27	H271	45.4°	176.8°
N23	C28	C27	H272	166.4°	63.2°
C24	C25	O26	H251	120.2°	119.9°
C24	C25	O26	H252	120.2°	120.0°
C24	C25	O26	C27	58.1°	58.7°
C25	C24	H241	H242	118.9°	120.1°
C24	C25	H251	H252	119.4°	120.1°
C25	O26	C27	C28	78.2°	58.7°
O26	C25	C24	H241	160.4°	176.7°
O26	C25	C24	H242	80.3°	63.1°
O26	C25	H251	H252	119.4°	120.1°
C25	O26	C27	H271	41.3°	178.6°
C25	O26	C27	H272	162.3°	61.3°
O26	C27	C28	H271	119.5°	120.0°
O26	C27	C28	H272	119.5°	120.0°
O26	C27	C28	H281	44.7°	63.1°
O26	C27	C28	H282	167.1°	176.8°
C27	O26	C25	H251	62.1°	178.6°
C27	O26	C25	H252	178.4°	61.3°
O26	C27	H271	H272	121.5°	120.2°
C27	C28	H281	H282	123.5°	120.1°
C28	C27	H271	H272	121.5°	120.0°
C29	C30	C31	H30	180.0°	179.8°
C29	C30	C31	C32	179.8°	179.7°
C31	C30	C29	H29	178.1°	179.8°
C30	C31	C32	H321	89.5°	89.7°
C30	C31	C32	H322	30.5°	30.2°
C30	C31	C32	H323	150.5°	150.3°
C32	C31	C30	H30	0.2°	0.0°
C31	C32	H321	H322	120.0°	120.0°
C31	C32	H321	H323	120.0°	120.0°
C31	C32	H322	H323	120.0°	120.0°
C33	C34	C35	H34	180.0°	179.8°
C33	C34	C35	O36	179.3°	179.7°
C34	C35	O36	C37	10.4°	0.2°
C35	O36	C37	C38	176.9°	180.0°
O36	C35	C34	H34	0.7°	0.1°
C35	O36	C37	H371	56.7°	60.0°
C35	O36	C37	H372	62.9°	60.0°
O36	C37	C38	H371	120.1°	120.0°
O36	C37	C38	H372	120.2°	120.0°
O36	C37	C38	N39	43.5°	65.0°
O36	C37	H371	H372	119.5°	120.0°
O36	C37	C38	H381	164.1°	175.0°
O36	C37	C38	H382	77.1°	55.0°
C37	C38	N39	H381	120.6°	120.0°
C37	C38	N39	H382	120.6°	120.0°
C37	C38	N39	C40	159.9°	170.0°
C37	C38	N39	C43	72.3°	72.6°
C38	C37	H371	H372	119.5°	120.0°
C37	C38	H381	H382	118.1°	120.0°
C38	N39	C40	C43	133.6°	120.5°
C38	N39	C40	C41	174.3°	145.8°
C38	N39	C43	C42	168.4°	159.7°
N39	C38	C37	H371	76.6°	55.0°
N39	C38	C37	H372	163.7°	175.0°
N39	C38	H381	H382	118.2°	119.9°
C38	N39	C40	H401	67.5°	26.5°
C38	N39	C40	H402	56.0°	94.8°
C38	N39	C43	H431	72.8°	81.9°
C38	N39	C43	H432	49.6°	41.2°
N39	C40	C41	H401	118.3°	119.4°
N39	C40	C41	H402	118.3°	119.4°
N39	C40	C41	C42	47.4°	1.2°
C40	N39	C43	C42	34.2°	39.2°
C40	N39	C38	H381	79.5°	70.0°
C40	N39	C38	H382	39.3°	50.0°
N39	C40	H401	H402	124.9°	121.3°
C40	N39	C43	H431	153.0°	157.6°
C40	N39	C43	H432	84.7°	79.4°
N39	C40	C41	H411	165.9°	117.7°
N39	C40	C41	H412	71.1°	120.2°
C43	N39	C40	C41	52.1°	25.3°
N39	C43	C42	C41	3.0°	37.4°
N39	C43	C42	H431	118.8°	118.5°
N39	C43	C42	H432	118.9°	118.5°
C43	N39	C38	H381	48.3°	47.4°
C43	N39	C38	H382	167.1°	167.4°
C43	N39	C40	H401	66.1°	94.0°
C43	N39	C40	H402	170.4°	144.7°
N39	C43	H431	H432	123.3°	123.1°
N39	C43	C42	H421	122.5°	81.0°
N39	C43	C42	H422	116.4°	155.9°
C40	C41	C42	H411	118.5°	119.0°
C40	C41	C42	H412	118.5°	119.0°
C40	C41	C42	C43	27.4°	22.0°
C41	C40	H401	H402	124.9°	121.1°
C40	C41	H411	H412	124.3°	122.3°
C40	C41	C42	H421	92.0°	96.4°
C40	C41	C42	H422	146.9°	140.4°
C41	C42	C43	H421	119.4°	118.4°
C41	C42	C43	H422	119.5°	118.5°
C42	C41	C40	H401	70.8°	118.1°
C42	C41	C40	H402	165.7°	120.6°
C41	C42	C43	H431	121.9°	155.9°
C41	C42	C43	H432	115.8°	81.1°
C42	C41	H411	H412	124.3°	122.0°
C41	C42	H421	H422	121.6°	123.3°
C42	C43	H431	H432	123.3°	123.1°
C43	C42	C41	H411	145.9°	140.9°
C43	C42	C41	H412	91.1°	97.1°
C43	C42	H421	H422	121.6°	123.2°
H11C	C1	H12C	H13C	120.0°	120.0°
H29	C29	C30	H30	1.9°	0.0°
H18	C18	C19	H19	0.9°	0.1°
H241	C24	C25	H251	40.2°	63.3°
H241	C24	C25	H252	79.3°	56.8°
H242	C24	C25	H251	159.5°	56.8°
H242	C24	C25	H252	39.9°	177.0°
H281	C28	C27	H271	164.2°	56.9°
H281	C28	C27	H272	74.8°	176.9°
H282	C28	C27	H271	73.4°	63.2°
H282	C28	C27	H272	47.7°	56.8°
H321	C32	H322	H323	119.9°	120.0°
H371	C37	C38	H381	44.0°	65.0°
H371	C37	C38	H382	162.8°	175.0°
H372	C37	C38	H381	75.7°	55.0°
H372	C37	C38	H382	43.1°	65.0°
H401	C40	C41	H411	47.6°	122.9°
H401	C40	C41	H412	170.7°	0.8°
H402	C40	C41	H411	75.8°	1.7°
H402	C40	C41	H412	47.2°	120.5°
H431	C43	C42	H421	118.7°	37.5°
H431	C43	C42	H422	2.4°	85.6°
H432	C43	C42	H421	3.6°	160.5°
H432	C43	C42	H422	124.7°	37.4°
H411	C41	C42	H421	26.5°	22.5°
H411	C41	C42	H422	94.6°	100.6°
H412	C41	C42	H421	149.5°	144.5°
H412	C41	C42	H422	28.4°	21.3°

Definition date:	2011-11-29
Last modified:	2014-09-14
Release status:	OBS
Processing site:	EBI
Replaced by:	AQZ
Derived from:	4A9Y