MAU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	0.00Å	1.44Å	Aromatic
C2	N1	sing	0.00Å	1.37Å	Aromatic
C2	O2	doub	0.00Å	1.28Å
C3	C4	doub	0.00Å	1.44Å	Aromatic
C3	C7	sing	0.00Å	1.50Å
C4	C5	sing	0.00Å	1.42Å	Aromatic
C4	O4	sing	0.00Å	1.35Å
C5	C6	doub	0.00Å	1.42Å	Aromatic
C5	HC5	sing	0.00Å	1.10Å
C6	N1	sing	0.00Å	1.36Å	Aromatic
C6	HC6	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.52Å
C7	O7	doub	0.00Å	1.24Å
C8	C9	doub	0.00Å	1.38Å
C8	C41	sing	0.00Å	1.52Å
C20	C21	sing	0.00Å	1.53Å
C20	C19	sing	0.00Å	1.59Å
C20	O20	sing	0.00Å	1.46Å
C20	HC02	sing	0.00Å	1.11Å
C21	C22	doub	0.00Å	1.37Å
C21	C44	sing	0.00Å	1.53Å
C24	C25	sing	0.00Å	1.51Å
C24	C23	doub	0.00Å	1.35Å
C24	HC42	sing	0.00Å	1.10Å
C25	N26	sing	0.00Å	1.45Å
C25	H251	sing	0.00Å	1.12Å
C25	H252	sing	0.00Å	1.11Å
O4	HO4	sing	0.00Å	0.95Å
C9	C10	sing	0.00Å	1.47Å
C9	HC9	sing	0.00Å	1.10Å
C10	C11	doub	0.00Å	1.34Å
C10	HC01	sing	0.00Å	1.10Å
C11	C12	sing	0.00Å	1.46Å
C11	HC11	sing	0.00Å	1.10Å
C12	C13	doub	0.00Å	1.34Å
C12	HC21	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.52Å
C13	HC31	sing	0.00Å	1.10Å
C14	C15	sing	0.00Å	1.56Å
C14	O18	sing	0.00Å	1.46Å
C14	HC41	sing	0.00Å	1.12Å
C15	C16	sing	0.00Å	1.53Å
C15	O15	sing	0.00Å	1.44Å
C15	HC51	sing	0.00Å	1.11Å
C16	C17	sing	0.00Å	1.57Å
C16	O16	sing	0.00Å	1.44Å
C16	HC61	sing	0.00Å	1.11Å
C17	C19	sing	0.00Å	1.59Å
C17	O18	sing	0.00Å	1.20Å
C17	HC71	sing	0.00Å	1.11Å
C19	C42	sing	0.00Å	1.58Å
C19	HC91	sing	0.00Å	1.12Å
C22	C23	sing	0.00Å	1.47Å
C22	HC22	sing	0.00Å	1.10Å
C23	HC32	sing	0.00Å	1.10Å
O15	HO51	sing	0.00Å	0.95Å
N1	C40	sing	0.00Å	1.47Å
C40	H401	sing	0.00Å	1.12Å
C40	H402	sing	0.00Å	1.11Å
C40	H403	sing	0.00Å	1.12Å
C41	H411	sing	0.00Å	1.11Å
C41	H412	sing	0.00Å	1.11Å
C41	H413	sing	0.00Å	1.12Å
O16	HO61	sing	0.00Å	0.95Å
C42	H421	sing	0.00Å	1.12Å
C42	H422	sing	0.00Å	1.11Å
C42	H423	sing	0.00Å	1.12Å
O20	C43	sing	0.00Å	1.44Å
C43	H431	sing	0.00Å	1.12Å
C43	H432	sing	0.00Å	1.12Å
C43	H433	sing	0.00Å	1.11Å
C44	H441	sing	0.00Å	1.12Å
C44	H442	sing	0.00Å	1.11Å
C44	H443	sing	0.00Å	1.12Å
N26	C27	sing	0.00Å	1.42Å
N26	HN62	sing	0.00Å	1.02Å
C27	O27	doub	0.00Å	1.24Å
C27	C28	sing	0.00Å	1.53Å
C45	C46	sing	0.00Å	1.47Å
C45	C28	sing	0.00Å	1.59Å
C45	H451	sing	0.00Å	1.12Å
C45	H452	sing	0.00Å	1.11Å
C46	H461	sing	0.00Å	1.11Å
C46	H462	sing	0.00Å	1.12Å
C46	H463	sing	0.00Å	1.11Å
C28	C29	sing	0.00Å	1.61Å
C28	HC82	sing	0.00Å	1.12Å
C29	O29	sing	0.00Å	1.46Å
C29	C30	sing	0.00Å	1.51Å
C29	O34	sing	0.00Å	1.40Å
O29	HO92	sing	0.00Å	0.95Å
C30	O30	sing	0.00Å	1.15Å
C30	C31	sing	0.00Å	1.51Å
C30	H30	sing	0.00Å	1.12Å
O30	HO3	sing	0.00Å	0.95Å
C31	O31	sing	0.00Å	1.41Å
C31	C32	sing	0.00Å	1.56Å
C31	HC13	sing	0.00Å	1.11Å
O31	HO13	sing	0.00Å	0.95Å
C32	C47	sing	0.00Å	1.54Å
C32	C48	sing	0.00Å	1.52Å
C32	C33	sing	0.00Å	1.52Å
C47	H471	sing	0.00Å	1.11Å
C47	H472	sing	0.00Å	1.12Å
C47	H473	sing	0.00Å	1.11Å
C48	H481	sing	0.00Å	1.11Å
C48	H482	sing	0.00Å	1.11Å
C48	H483	sing	0.00Å	1.11Å
C33	O34	sing	0.00Å	1.21Å
C33	C35	sing	0.00Å	1.50Å
C33	HC33	sing	0.00Å	1.11Å
C35	C36	doub	0.00Å	1.36Å
C35	HC53	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.42Å
C36	HC63	sing	0.00Å	1.10Å
C37	C38	doub	0.00Å	1.37Å
C37	HC73	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.52Å
C38	HC83	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.12Å
C39	H392	sing	0.00Å	1.11Å
C39	H393	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	N1	120.1°	90.0°
C3	C2	O2	119.5°	90.0°
C2	C3	C4	118.1°	90.0°
C2	C3	C7	120.6°	90.0°
N1	C2	O2	120.4°	90.0°
C2	N1	C6	121.9°	90.0°
C2	N1	C40	120.0°	90.0°
C4	C3	C7	121.3°	90.0°
C3	C4	C5	120.0°	90.0°
C3	C4	O4	120.3°	90.0°
C3	C7	C8	121.8°	90.0°
C3	C7	O7	118.1°	90.0°
C5	C4	O4	119.6°	90.0°
C4	C5	C6	118.5°	90.0°
C4	C5	HC5	120.7°	90.0°
C4	O4	HO4	120.3°	90.0°
C6	C5	HC5	120.7°	90.0°
C5	C6	N1	121.2°	90.0°
C5	C6	HC6	119.4°	90.0°
N1	C6	HC6	119.4°	90.0°
C6	N1	C40	118.0°	90.0°
C8	C7	O7	120.1°	90.0°
C7	C8	C9	119.4°	90.0°
C7	C8	C41	119.0°	90.0°
C9	C8	C41	121.6°	90.0°
C8	C9	C10	125.5°	90.0°
C8	C9	HC9	117.2°	90.0°
C8	C41	H411	119.0°	90.0°
C8	C41	H412	108.8°	90.0°
C8	C41	H413	108.8°	90.0°
C21	C20	C19	113.5°	90.0°
C21	C20	O20	107.6°	90.0°
C21	C20	HC02	109.0°	90.0°
C20	C21	C22	117.8°	90.0°
C20	C21	C44	120.4°	90.0°
C19	C20	O20	108.8°	90.0°
C19	C20	HC02	108.9°	90.0°
C20	C19	C17	106.6°	90.0°
C20	C19	C42	110.3°	90.0°
C20	C19	HC91	109.8°	90.0°
O20	C20	HC02	108.9°	90.0°
C20	O20	C43	110.8°	90.0°
C22	C21	C44	121.8°	90.0°
C21	C22	C23	123.2°	90.0°
C21	C22	HC22	118.4°	90.0°
C21	C44	H441	120.4°	90.0°
C21	C44	H442	108.3°	90.0°
C21	C44	H443	108.3°	90.0°
C25	C24	C23	121.9°	90.0°
C25	C24	HC42	119.1°	90.0°
C24	C25	N26	110.8°	90.0°
C24	C25	H251	111.7°	90.0°
C24	C25	H252	111.7°	90.0°
C23	C24	HC42	119.1°	90.0°
C24	C23	C22	119.0°	90.0°
C24	C23	HC32	120.5°	90.0°
N26	C25	H251	111.7°	90.0°
N26	C25	H252	111.7°	90.0°
C25	N26	C27	121.6°	90.0°
C25	N26	HN62	119.2°	90.0°
H251	C25	H252	98.7°	90.0°
C10	C9	HC9	117.3°	90.0°
C9	C10	C11	117.5°	90.0°
C9	C10	HC01	121.3°	90.0°
C11	C10	HC01	121.3°	90.0°
C10	C11	C12	121.3°	90.0°
C10	C11	HC11	119.4°	90.0°
C12	C11	HC11	119.3°	90.0°
C11	C12	C13	119.1°	90.0°
C11	C12	HC21	120.5°	90.0°
C13	C12	HC21	120.4°	90.0°
C12	C13	C14	121.1°	90.0°
C12	C13	HC31	119.5°	90.0°
C14	C13	HC31	119.4°	90.0°
C13	C14	C15	114.3°	90.0°
C13	C14	O18	106.9°	90.0°
C13	C14	HC41	110.2°	90.0°
C15	C14	O18	104.7°	90.0°
C15	C14	HC41	110.2°	90.0°
C14	C15	C16	99.4°	90.0°
C14	C15	O15	110.7°	90.0°
C14	C15	HC51	112.5°	90.0°
O18	C14	HC41	110.2°	90.0°
C14	O18	C17	112.2°	90.0°
C16	C15	O15	108.5°	90.0°
C16	C15	HC51	112.5°	90.0°
C15	C16	C17	103.3°	90.0°
C15	C16	O16	112.4°	90.0°
C15	C16	HC61	109.4°	90.0°
O15	C15	HC51	112.5°	90.0°
C15	O15	HO51	110.7°	90.0°
C17	C16	O16	112.8°	90.0°
C17	C16	HC61	109.4°	90.0°
C16	C17	C19	114.7°	90.0°
C16	C17	O18	111.2°	90.0°
C16	C17	HC71	107.0°	90.0°
O16	C16	HC61	109.4°	90.0°
C16	O16	HO61	112.4°	90.0°
C19	C17	O18	109.7°	90.0°
C19	C17	HC71	106.9°	90.0°
C17	C19	C42	110.5°	90.0°
C17	C19	HC91	109.8°	90.0°
O18	C17	HC71	107.0°	90.0°
C42	C19	HC91	109.8°	90.0°
C19	C42	H421	110.3°	90.0°
C19	C42	H422	111.9°	90.0°
C19	C42	H423	111.9°	90.0°
C23	C22	HC22	118.4°	90.0°
C22	C23	HC32	120.5°	90.0°
N1	C40	H401	120.0°	90.0°
N1	C40	H402	108.4°	90.0°
N1	C40	H403	108.4°	90.0°
H401	C40	H402	108.4°	90.0°
H401	C40	H403	108.4°	90.0°
H402	C40	H403	101.6°	90.0°
H411	C41	H412	108.8°	90.0°
H411	C41	H413	108.8°	90.0°
H412	C41	H413	101.2°	90.0°
H421	C42	H422	111.9°	90.0°
H421	C42	H423	111.9°	90.0°
H422	C42	H423	98.5°	90.0°
O20	C43	H431	110.8°	90.0°
O20	C43	H432	111.8°	90.0°
O20	C43	H433	111.7°	90.0°
H431	C43	H432	111.7°	90.0°
H431	C43	H433	111.7°	90.0°
H432	C43	H433	98.7°	90.0°
H441	C44	H442	108.3°	90.0°
H441	C44	H443	108.3°	90.0°
H442	C44	H443	101.6°	90.0°
C27	N26	HN62	119.2°	90.0°
N26	C27	O27	120.0°	90.0°
N26	C27	C28	118.8°	90.0°
O27	C27	C28	121.2°	90.0°
C27	C28	C45	112.4°	90.0°
C27	C28	C29	108.8°	90.0°
C27	C28	HC82	108.7°	90.0°
C46	C45	C28	110.7°	90.0°
C46	C45	H451	111.7°	90.0°
C46	C45	H452	111.7°	90.0°
C45	C46	H461	110.7°	90.0°
C45	C46	H462	111.7°	90.0°
C45	C46	H463	111.7°	90.0°
C28	C45	H451	111.7°	90.0°
C28	C45	H452	111.7°	90.0°
C45	C28	C29	109.6°	90.0°
C45	C28	HC82	108.6°	90.0°
H451	C45	H452	98.7°	90.0°
H461	C46	H462	111.7°	90.0°
H461	C46	H463	111.8°	90.0°
H462	C46	H463	98.7°	90.0°
C29	C28	HC82	108.7°	90.0°
C28	C29	O29	108.4°	90.0°
C28	C29	C30	112.5°	90.0°
C28	C29	O34	108.9°	90.0°
O29	C29	C30	108.3°	90.0°
O29	C29	O34	105.6°	90.0°
C29	O29	HO92	108.5°	90.0°
C30	C29	O34	112.7°	90.0°
C29	C30	O30	110.5°	90.0°
C29	C30	C31	104.7°	90.0°
C29	C30	H30	111.5°	90.0°
C29	O34	C33	120.0°	90.0°
O30	C30	C31	108.3°	90.0°
O30	C30	H30	108.2°	90.0°
C30	O30	HO3	110.5°	90.0°
C31	C30	H30	113.6°	90.0°
C30	C31	O31	113.2°	90.0°
C30	C31	C32	113.1°	90.0°
C30	C31	HC13	106.2°	90.0°
O31	C31	C32	111.3°	90.0°
O31	C31	HC13	106.2°	90.0°
C31	O31	HO13	113.2°	90.0°
C32	C31	HC13	106.2°	90.0°
C31	C32	C47	112.1°	90.0°
C31	C32	C48	108.5°	90.0°
C31	C32	C33	105.5°	90.0°
C47	C32	C48	107.4°	90.0°
C47	C32	C33	111.4°	90.0°
C32	C47	H471	112.1°	90.0°
C32	C47	H472	111.2°	90.0°
C32	C47	H473	111.2°	90.0°
C48	C32	C33	112.0°	90.0°
C32	C48	H481	108.5°	90.0°
C32	C48	H482	112.5°	90.0°
C32	C48	H483	112.6°	90.0°
C32	C33	O34	113.6°	90.0°
C32	C33	C35	116.1°	90.0°
C32	C33	HC33	106.9°	90.0°
H471	C47	H472	111.3°	90.0°
H471	C47	H473	111.2°	90.0°
H472	C47	H473	99.1°	90.0°
H481	C48	H482	112.6°	90.0°
H481	C48	H483	112.6°	90.0°
H482	C48	H483	97.9°	90.0°
O34	C33	C35	106.0°	90.0°
O34	C33	HC33	106.9°	90.0°
C35	C33	HC33	106.9°	90.0°
C33	C35	C36	124.0°	90.0°
C33	C35	HC53	118.0°	90.0°
C36	C35	HC53	118.0°	90.0°
C35	C36	C37	120.4°	90.0°
C35	C36	HC63	119.8°	90.0°
C37	C36	HC63	119.8°	90.0°
C36	C37	C38	123.1°	90.0°
C36	C37	HC73	118.5°	90.0°
C38	C37	HC73	118.4°	90.0°
C37	C38	C39	123.1°	90.0°
C37	C38	HC83	118.4°	90.0°
C39	C38	HC83	118.5°	90.0°
C38	C39	H391	123.1°	90.0°
C38	C39	H392	107.4°	90.0°
C38	C39	H393	107.4°	90.0°
H391	C39	H392	107.3°	90.0°
H391	C39	H393	107.4°	90.0°
H392	C39	H393	102.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	O2	179.8°	90.0°
C2	C3	C4	C7	179.8°	90.0°
C2	C3	C4	C5	0.2°	90.0°
C2	C3	C4	O4	179.6°	90.0°
C3	C2	N1	C6	0.1°	90.0°
C2	C3	C7	C8	110.4°	90.0°
C2	C3	C7	O7	70.0°	90.0°
C3	C2	N1	C40	179.8°	90.0°
N1	C2	C3	C4	0.3°	90.0°
N1	C2	C3	C7	179.5°	90.0°
C2	N1	C6	C5	0.1°	90.0°
C2	N1	C6	C40	179.9°	90.0°
C2	N1	C6	HC6	179.9°	90.0°
C2	N1	C40	H401	180.0°	90.0°
C2	N1	C40	H402	54.7°	90.0°
C2	N1	C40	H403	54.7°	90.0°
O2	C2	C3	C4	179.9°	90.0°
O2	C2	C3	C7	0.3°	90.0°
O2	C2	N1	C6	179.9°	90.0°
O2	C2	N1	C40	0.0°	90.0°
C3	C4	C5	O4	179.4°	90.0°
C3	C4	C5	C6	0.1°	90.0°
C3	C4	C5	HC5	179.9°	90.0°
C4	C3	C7	C8	69.4°	90.0°
C4	C3	C7	O7	110.2°	90.0°
C3	C4	O4	HO4	180.0°	90.0°
C7	C3	C4	C5	179.5°	90.0°
C7	C3	C4	O4	0.2°	90.0°
C3	C7	C8	O7	179.6°	90.0°
C3	C7	C8	C9	2.6°	90.0°
C3	C7	C8	C41	176.7°	90.0°
C4	C5	C6	HC5	180.0°	90.0°
C4	C5	C6	N1	0.1°	90.0°
C4	C5	C6	HC6	179.9°	90.0°
C5	C4	O4	HO4	0.7°	90.0°
O4	C4	C5	C6	179.5°	90.0°
O4	C4	C5	HC5	0.5°	90.0°
C5	C6	N1	HC6	180.0°	90.0°
C5	C6	N1	C40	180.0°	90.0°
HC5	C5	C6	N1	179.9°	90.0°
HC5	C5	C6	HC6	0.1°	90.0°
C6	N1	C40	H401	0.0°	90.0°
C6	N1	C40	H402	125.3°	90.0°
C6	N1	C40	H403	125.2°	90.0°
HC6	C6	N1	C40	0.0°	90.0°
C7	C8	C9	C41	179.3°	90.0°
C7	C8	C9	C10	179.5°	90.0°
C7	C8	C9	HC9	0.5°	90.0°
C7	C8	C41	H411	180.0°	90.0°
C7	C8	C41	H412	54.7°	90.0°
C7	C8	C41	H413	54.7°	90.0°
O7	C7	C8	C9	177.1°	90.0°
O7	C7	C8	C41	3.7°	90.0°
C8	C9	C10	HC9	180.0°	90.0°
C8	C9	C10	C11	158.4°	90.0°
C8	C9	C10	HC01	21.6°	90.0°
C9	C8	C41	H411	0.7°	90.0°
C9	C8	C41	H412	124.6°	90.0°
C9	C8	C41	H413	126.0°	90.0°
C41	C8	C9	C10	1.2°	90.0°
C41	C8	C9	HC9	178.8°	90.0°
C8	C41	H411	H412	125.3°	90.0°
C8	C41	H411	H413	125.3°	90.0°
C8	C41	H412	H413	114.5°	90.0°
C21	C20	C19	O20	119.8°	90.0°
C21	C20	C19	HC02	121.6°	90.0°
C21	C20	O20	HC02	118.0°	90.0°
C20	C21	C22	C44	179.0°	90.0°
C21	C20	C19	C17	174.2°	90.0°
C21	C20	C19	C42	54.2°	90.0°
C21	C20	C19	HC91	66.9°	90.0°
C20	C21	C22	C23	178.9°	90.0°
C20	C21	C22	HC22	1.1°	90.0°
C21	C20	O20	C43	98.9°	90.0°
C20	C21	C44	H441	180.0°	90.0°
C20	C21	C44	H442	54.7°	90.0°
C20	C21	C44	H443	54.7°	90.0°
C19	C20	O20	HC02	118.6°	90.0°
C19	C20	C21	C22	123.4°	90.0°
C19	C20	C21	C44	57.5°	90.0°
C20	C19	C17	C16	165.6°	90.0°
C20	C19	C17	C42	119.9°	90.0°
C20	C19	C17	HC91	118.9°	90.0°
C20	C19	C17	O18	68.4°	90.0°
C20	C19	C17	HC71	47.2°	90.0°
C20	C19	C42	HC91	121.1°	90.0°
C20	C19	C42	H421	180.0°	90.0°
C20	C19	C42	H422	54.7°	90.0°
C20	C19	C42	H423	54.7°	90.0°
C19	C20	O20	C43	137.7°	90.0°
O20	C20	C21	C22	116.1°	90.0°
O20	C20	C21	C44	62.9°	90.0°
O20	C20	C19	C17	66.0°	90.0°
O20	C20	C19	C42	174.0°	90.0°
O20	C20	C19	HC91	52.9°	90.0°
C20	O20	C43	H431	180.0°	90.0°
C20	O20	C43	H432	54.7°	90.0°
C20	O20	C43	H433	54.7°	90.0°
HC02	C20	C21	C22	1.9°	90.0°
HC02	C20	C21	C44	179.1°	90.0°
HC02	C20	C19	C17	52.6°	90.0°
HC02	C20	C19	C42	67.3°	90.0°
HC02	C20	C19	HC91	171.5°	90.0°
HC02	C20	O20	C43	19.1°	90.0°
C21	C22	C23	C24	179.6°	90.0°
C21	C22	C23	HC22	180.0°	90.0°
C21	C22	C23	HC32	0.5°	90.0°
C22	C21	C44	H441	1.0°	90.0°
C22	C21	C44	H442	124.3°	90.0°
C22	C21	C44	H443	126.3°	90.0°
C44	C21	C22	C23	0.2°	90.0°
C44	C21	C22	HC22	179.8°	90.0°
C21	C44	H441	H442	125.3°	90.0°
C21	C44	H441	H443	125.3°	90.0°
C21	C44	H442	H443	113.9°	90.0°
C25	C24	C23	HC42	180.0°	90.0°
C24	C25	N26	H251	125.3°	90.0°
C24	C25	N26	H252	125.3°	90.0°
C24	C25	H251	H252	117.6°	90.0°
C25	C24	C23	C22	178.5°	90.0°
C25	C24	C23	HC32	1.5°	90.0°
C24	C25	N26	C27	130.0°	90.0°
C24	C25	N26	HN62	50.0°	90.0°
C23	C24	C25	N26	20.4°	90.0°
C23	C24	C25	H251	145.7°	90.0°
C23	C24	C25	H252	104.9°	90.0°
C24	C23	C22	HC32	180.0°	90.0°
C24	C23	C22	HC22	0.4°	90.0°
HC42	C24	C25	N26	159.6°	90.0°
HC42	C24	C25	H251	34.3°	90.0°
HC42	C24	C25	H252	75.1°	90.0°
HC42	C24	C23	C22	1.5°	90.0°
HC42	C24	C23	HC32	178.5°	90.0°
N26	C25	H251	H252	117.6°	90.0°
C25	N26	C27	HN62	180.0°	90.0°
C25	N26	C27	O27	4.0°	90.0°
C25	N26	C27	C28	178.9°	90.0°
H251	C25	N26	C27	104.7°	90.0°
H251	C25	N26	HN62	75.3°	90.0°
H252	C25	N26	C27	4.8°	90.0°
H252	C25	N26	HN62	175.2°	90.0°
C9	C10	C11	HC01	180.0°	90.0°
C9	C10	C11	C12	179.7°	90.0°
C9	C10	C11	HC11	0.2°	90.0°
HC9	C9	C10	C11	21.6°	90.0°
HC9	C9	C10	HC01	158.4°	90.0°
C10	C11	C12	HC11	180.0°	90.0°
C10	C11	C12	C13	176.7°	90.0°
C10	C11	C12	HC21	3.3°	90.0°
HC01	C10	C11	C12	0.3°	90.0°
HC01	C10	C11	HC11	179.7°	90.0°
C11	C12	C13	HC21	180.0°	90.0°
C11	C12	C13	C14	179.4°	90.0°
C11	C12	C13	HC31	0.6°	90.0°
HC11	C11	C12	C13	3.3°	90.0°
HC11	C11	C12	HC21	176.7°	90.0°
C12	C13	C14	HC31	180.0°	90.0°
C12	C13	C14	C15	109.0°	90.0°
C12	C13	C14	O18	135.6°	90.0°
C12	C13	C14	HC41	15.8°	90.0°
HC21	C12	C13	C14	0.6°	90.0°
HC21	C12	C13	HC31	179.4°	90.0°
C13	C14	C15	O18	116.7°	90.0°
C13	C14	C15	HC41	124.8°	90.0°
C13	C14	O18	HC41	119.8°	90.0°
C13	C14	C15	C16	145.8°	90.0°
C13	C14	C15	O15	31.8°	90.0°
C13	C14	C15	HC51	95.0°	90.0°
C13	C14	O18	C17	150.1°	90.0°
HC31	C13	C14	C15	71.0°	90.0°
HC31	C13	C14	O18	44.4°	90.0°
HC31	C13	C14	HC41	164.2°	90.0°
C15	C14	O18	HC41	118.5°	90.0°
C14	C15	C16	O15	115.7°	90.0°
C14	C15	C16	HC51	119.3°	90.0°
C14	C15	O15	HC51	126.8°	90.0°
C14	C15	C16	C17	21.4°	90.0°
C14	C15	C16	O16	143.3°	90.0°
C14	C15	C16	HC61	95.0°	90.0°
C15	C14	O18	C17	28.4°	90.0°
C14	C15	O15	HO51	180.0°	90.0°
O18	C14	C15	C16	29.1°	90.0°
O18	C14	C15	O15	84.9°	90.0°
O18	C14	C15	HC51	148.3°	90.0°
C14	O18	C17	C16	13.7°	90.0°
C14	O18	C17	C19	141.6°	90.0°
C14	O18	C17	HC71	102.8°	90.0°
HC41	C14	C15	C16	89.5°	90.0°
HC41	C14	C15	O15	156.6°	90.0°
HC41	C14	C15	HC51	29.8°	90.0°
HC41	C14	O18	C17	90.1°	90.0°
C16	C15	O15	HC51	125.1°	90.0°
C15	C16	C17	O16	121.6°	90.0°
C15	C16	C17	HC61	116.4°	90.0°
C15	C16	O16	HC61	121.7°	90.0°
C15	C16	C17	C19	118.6°	90.0°
C15	C16	C17	O18	6.6°	90.0°
C15	C16	C17	HC71	123.1°	90.0°
C16	C15	O15	HO51	71.9°	90.0°
C15	C16	O16	HO61	180.0°	90.0°
O15	C15	C16	C17	94.2°	90.0°
O15	C15	C16	O16	27.6°	90.0°
O15	C15	C16	HC61	149.4°	90.0°
HC51	C15	C16	C17	140.7°	90.0°
HC51	C15	C16	O16	97.4°	90.0°
HC51	C15	C16	HC61	24.3°	90.0°
HC51	C15	O15	HO51	53.2°	90.0°
C17	C16	O16	HC61	121.9°	90.0°
C16	C17	C19	O18	126.0°	90.0°
C16	C17	C19	HC71	118.4°	90.0°
C16	C17	O18	HC71	116.5°	90.0°
C16	C17	C19	C42	74.5°	90.0°
C16	C17	C19	HC91	46.8°	90.0°
C17	C16	O16	HO61	63.7°	90.0°
O16	C16	C17	C19	3.1°	90.0°
O16	C16	C17	O18	128.2°	90.0°
O16	C16	C17	HC71	115.3°	90.0°
HC61	C16	C17	C19	125.0°	90.0°
HC61	C16	C17	O18	109.8°	90.0°
HC61	C16	C17	HC71	6.6°	90.0°
HC61	C16	O16	HO61	58.3°	90.0°
C19	C17	O18	HC71	115.6°	90.0°
C17	C19	C42	HC91	121.2°	90.0°
C17	C19	C42	H421	62.3°	90.0°
C17	C19	C42	H422	62.9°	90.0°
C17	C19	C42	H423	172.4°	90.0°
O18	C17	C19	C42	51.5°	90.0°
O18	C17	C19	HC91	172.7°	90.0°
HC71	C17	C19	C42	167.1°	90.0°
HC71	C17	C19	HC91	71.6°	90.0°
C19	C42	H421	H422	125.2°	90.0°
C19	C42	H421	H423	125.3°	90.0°
C19	C42	H422	H423	117.8°	90.0°
HC91	C19	C42	H421	58.9°	90.0°
HC91	C19	C42	H422	175.9°	90.0°
HC91	C19	C42	H423	66.4°	90.0°
HC22	C22	C23	HC32	179.6°	90.0°
N1	C40	H401	H402	125.3°	90.0°
N1	C40	H401	H403	125.2°	90.0°
N1	C40	H402	H403	114.1°	90.0°
H401	C40	H402	H403	114.1°	90.0°
H411	C41	H412	H413	114.5°	90.0°
H421	C42	H422	H423	117.8°	90.0°
O20	C43	H431	H432	125.3°	90.0°
O20	C43	H431	H433	125.3°	90.0°
O20	C43	H432	H433	117.7°	90.0°
H431	C43	H432	H433	117.6°	90.0°
H441	C44	H442	H443	113.9°	90.0°
N26	C27	O27	C28	177.1°	90.0°
N26	C27	C28	C45	116.4°	90.0°
N26	C27	C28	C29	122.1°	90.0°
N26	C27	C28	HC82	3.9°	90.0°
HN62	N26	C27	O27	176.0°	90.0°
HN62	N26	C27	C28	1.1°	90.0°
O27	C27	C28	C45	60.7°	90.0°
O27	C27	C28	C29	60.8°	90.0°
O27	C27	C28	HC82	179.0°	90.0°
C27	C28	C45	C46	48.1°	90.0°
C27	C28	C45	C29	121.1°	90.0°
C27	C28	C45	HC82	120.3°	90.0°
C27	C28	C45	H451	173.4°	90.0°
C27	C28	C45	H452	77.1°	90.0°
C27	C28	C29	HC82	118.2°	90.0°
C27	C28	C29	O29	59.1°	90.0°
C27	C28	C29	C30	178.9°	90.0°
C27	C28	C29	O34	55.4°	90.0°
C46	C45	C28	H451	125.2°	90.0°
C46	C45	C28	H452	125.2°	90.0°
C46	C45	H451	H452	117.7°	90.0°
C45	C46	H461	H462	125.2°	90.0°
C45	C46	H461	H463	125.3°	90.0°
C45	C46	H462	H463	117.7°	90.0°
C46	C45	C28	C29	169.3°	90.0°
C46	C45	C28	HC82	72.2°	90.0°
C28	C45	H451	H452	117.7°	90.0°
C28	C45	C46	H461	180.0°	90.0°
C28	C45	C46	H462	54.8°	90.0°
C28	C45	C46	H463	54.8°	90.0°
C45	C28	C29	HC82	118.5°	90.0°
C45	C28	C29	O29	64.2°	90.0°
C45	C28	C29	C30	55.6°	90.0°
C45	C28	C29	O34	178.7°	90.0°
H451	C45	C46	H461	54.8°	90.0°
H451	C45	C46	H462	180.0°	90.0°
H451	C45	C46	H463	70.5°	90.0°
H451	C45	C28	C29	65.5°	90.0°
H451	C45	C28	HC82	53.1°	90.0°
H452	C45	C46	H461	54.7°	90.0°
H452	C45	C46	H462	70.5°	90.0°
H452	C45	C46	H463	180.0°	90.0°
H452	C45	C28	C29	44.1°	90.0°
H452	C45	C28	HC82	162.6°	90.0°
H461	C46	H462	H463	117.7°	90.0°
C28	C29	O29	C30	122.4°	90.0°
C28	C29	O29	O34	116.6°	90.0°
C28	C29	C30	O34	123.7°	90.0°
C28	C29	O29	HO92	180.0°	90.0°
C28	C29	C30	O30	57.8°	90.0°
C28	C29	C30	C31	174.2°	90.0°
C28	C29	C30	H30	62.5°	90.0°
C28	C29	O34	C33	176.4°	90.0°
HC82	C28	C29	O29	177.3°	90.0°
HC82	C28	C29	C30	63.0°	90.0°
HC82	C28	C29	O34	62.8°	90.0°
O29	C29	C30	O34	116.5°	90.0°
O29	C29	C30	O30	177.7°	90.0°
O29	C29	C30	C31	65.9°	90.0°
O29	C29	C30	H30	57.3°	90.0°
O29	C29	O34	C33	60.1°	90.0°
C30	C29	O29	HO92	57.6°	90.0°
C29	C30	O30	C31	114.1°	90.0°
C29	C30	O30	H30	122.3°	90.0°
C29	C30	C31	H30	121.9°	90.0°
C29	C30	O30	HO3	180.0°	90.0°
C29	C30	C31	O31	178.5°	90.0°
C29	C30	C31	C32	53.7°	90.0°
C29	C30	C31	HC13	62.4°	90.0°
C30	C29	O34	C33	57.9°	90.0°
O34	C29	O29	HO92	63.4°	90.0°
O34	C29	C30	O30	65.9°	90.0°
O34	C29	C30	C31	50.5°	90.0°
O34	C29	C30	H30	173.8°	90.0°
C29	O34	C33	C32	58.2°	90.0°
C29	O34	C33	C35	173.1°	90.0°
C29	O34	C33	HC33	59.4°	90.0°
O30	C30	C31	H30	120.2°	90.0°
O30	C30	C31	O31	63.6°	90.0°
O30	C30	C31	C32	64.2°	90.0°
O30	C30	C31	HC13	179.7°	90.0°
C31	C30	O30	HO3	65.9°	90.0°
C30	C31	O31	C32	128.7°	90.0°
C30	C31	O31	HC13	116.1°	90.0°
C30	C31	C32	HC13	116.1°	90.0°
C30	C31	O31	HO13	180.0°	90.0°
C30	C31	C32	C47	67.7°	90.0°
C30	C31	C32	C48	173.9°	90.0°
C30	C31	C32	C33	53.7°	90.0°
H30	C30	O30	HO3	57.7°	90.0°
H30	C30	C31	O31	56.6°	90.0°
H30	C30	C31	C32	175.6°	90.0°
H30	C30	C31	HC13	59.5°	90.0°
O31	C31	C32	HC13	115.2°	90.0°
O31	C31	C32	C47	61.0°	90.0°
O31	C31	C32	C48	57.4°	90.0°
O31	C31	C32	C33	177.5°	90.0°
C32	C31	O31	HO13	51.3°	90.0°
C31	C32	C47	C48	119.1°	90.0°
C31	C32	C47	C33	118.0°	90.0°
C31	C32	C48	C33	116.0°	90.0°
C31	C32	C47	H471	180.0°	90.0°
C31	C32	C47	H472	54.7°	90.0°
C31	C32	C47	H473	54.7°	90.0°
C31	C32	C48	H481	180.0°	90.0°
C31	C32	C48	H482	54.8°	90.0°
C31	C32	C48	H483	54.7°	90.0°
C31	C32	C33	O34	52.9°	90.0°
C31	C32	C33	C35	176.3°	90.0°
C31	C32	C33	HC33	64.6°	90.0°
HC13	C31	O31	HO13	63.9°	90.0°
HC13	C31	C32	C47	176.2°	90.0°
HC13	C31	C32	C48	57.8°	90.0°
HC13	C31	C32	C33	62.4°	90.0°
C47	C32	C48	C33	122.6°	90.0°
C32	C47	H471	H472	125.3°	90.0°
C32	C47	H471	H473	125.3°	90.0°
C32	C47	H472	H473	117.1°	90.0°
C47	C32	C48	H481	58.6°	90.0°
C47	C32	C48	H482	176.1°	90.0°
C47	C32	C48	H483	66.6°	90.0°
C47	C32	C33	O34	68.9°	90.0°
C47	C32	C33	C35	54.4°	90.0°
C47	C32	C33	HC33	173.5°	90.0°
C48	C32	C47	H471	60.9°	90.0°
C48	C32	C47	H472	64.4°	90.0°
C48	C32	C47	H473	173.8°	90.0°
C32	C48	H481	H482	125.2°	90.0°
C32	C48	H481	H483	125.2°	90.0°
C32	C48	H482	H483	118.5°	90.0°
C48	C32	C33	O34	170.8°	90.0°
C48	C32	C33	C35	65.9°	90.0°
C48	C32	C33	HC33	53.2°	90.0°
C33	C32	C47	H471	62.0°	90.0°
C33	C32	C47	H472	172.7°	90.0°
C33	C32	C47	H473	63.2°	90.0°
C33	C32	C48	H481	64.0°	90.0°
C33	C32	C48	H482	61.3°	90.0°
C33	C32	C48	H483	170.8°	90.0°
C32	C33	O34	C35	128.7°	90.0°
C32	C33	O34	HC33	117.6°	90.0°
C32	C33	C35	HC33	119.1°	90.0°
C32	C33	C35	C36	109.1°	90.0°
C32	C33	C35	HC53	70.9°	90.0°
H471	C47	H472	H473	117.1°	90.0°
H481	C48	H482	H483	118.5°	90.0°
O34	C33	C35	HC33	113.8°	90.0°
O34	C33	C35	C36	18.0°	90.0°
O34	C33	C35	HC53	162.0°	90.0°
C33	C35	C36	HC53	180.0°	90.0°
C33	C35	C36	C37	179.3°	90.0°
C33	C35	C36	HC63	0.7°	90.0°
HC33	C33	C35	C36	131.8°	90.0°
HC33	C33	C35	HC53	48.2°	90.0°
C35	C36	C37	HC63	180.0°	90.0°
C35	C36	C37	C38	174.1°	90.0°
C35	C36	C37	HC73	5.8°	90.0°
HC53	C35	C36	C37	0.7°	90.0°
HC53	C35	C36	HC63	179.3°	90.0°
C36	C37	C38	HC73	180.0°	90.0°
C36	C37	C38	C39	0.2°	90.0°
C36	C37	C38	HC83	179.8°	90.0°
HC63	C36	C37	C38	5.9°	90.0°
HC63	C36	C37	HC73	174.2°	90.0°
C37	C38	C39	HC83	180.0°	90.0°
C37	C38	C39	H391	180.0°	90.0°
C37	C38	C39	H392	54.8°	90.0°
C37	C38	C39	H393	54.7°	90.0°
HC73	C37	C38	C39	179.8°	90.0°
HC73	C37	C38	HC83	0.2°	90.0°
C38	C39	H391	H392	125.3°	90.0°
C38	C39	H391	H393	125.3°	90.0°
C38	C39	H392	H393	112.9°	90.0°
HC83	C38	C39	H391	0.0°	90.0°
HC83	C38	C39	H392	125.2°	90.0°
HC83	C38	C39	H393	125.3°	90.0°
H391	C39	H392	H393	112.9°	90.0°

Definition date:	2001-03-29
Last modified:	2020-06-17
Release status:	REL
Processing site:	EBI
Derived from:	1HA3