KIR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	0.00Å	1.43Å	Aromatic
C2	N1	sing	0.00Å	1.39Å	Aromatic
C2	O2	doub	0.00Å	1.28Å
C3	C4	doub	0.00Å	1.48Å	Aromatic
C3	C7	sing	0.00Å	1.50Å
C4	C5	sing	0.00Å	1.42Å	Aromatic
C4	O4	sing	0.00Å	1.36Å
C5	C6	doub	0.00Å	1.42Å	Aromatic
C5	H51	sing	0.00Å	1.10Å
C6	N1	sing	0.00Å	1.37Å	Aromatic
C6	H61	sing	0.00Å	1.10Å
C7	C8	sing	0.00Å	1.50Å
C7	O7	doub	0.00Å	1.22Å
C8	C9	doub	0.00Å	1.38Å
C8	C41	sing	0.00Å	1.51Å
C20	C21	sing	0.00Å	1.53Å
C20	C19	sing	0.00Å	1.63Å
C20	O20	sing	0.00Å	1.44Å
C20	H201	sing	0.00Å	1.12Å
C21	C22	doub	0.00Å	1.36Å
C21	C44	sing	0.00Å	1.54Å
C24	C25	sing	0.00Å	1.52Å
C24	C23	doub	0.00Å	1.34Å
C24	H241	sing	0.00Å	1.10Å
C25	N26	sing	0.00Å	1.45Å
C25	H251	sing	0.00Å	1.11Å
C25	H252	sing	0.00Å	1.12Å
O4	H41	sing	0.00Å	0.95Å
C9	C10	sing	0.00Å	1.45Å
C9	H91	sing	0.00Å	1.10Å
C10	C11	doub	0.00Å	1.34Å
C10	H101	sing	0.00Å	1.10Å
C11	C12	sing	0.00Å	1.46Å
C11	H111	sing	0.00Å	1.10Å
C12	C13	doub	0.00Å	1.34Å
C12	H121	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.52Å
C13	H131	sing	0.00Å	1.10Å
C14	C15	sing	0.00Å	1.54Å
C14	O18	sing	0.00Å	1.47Å
C14	H141	sing	0.00Å	1.11Å
C15	C16	sing	0.00Å	1.52Å
C15	O15	sing	0.00Å	1.42Å
C15	H151	sing	0.00Å	1.11Å
C16	C17	sing	0.00Å	1.59Å
C16	O16	sing	0.00Å	1.46Å
C16	H161	sing	0.00Å	1.12Å
C17	C19	sing	0.00Å	1.62Å
C17	O18	sing	0.00Å	1.21Å
C17	H171	sing	0.00Å	1.11Å
C19	C42	sing	0.00Å	1.57Å
C19	H191	sing	0.00Å	1.11Å
C22	C23	sing	0.00Å	1.47Å
C22	H221	sing	0.00Å	1.10Å
C23	H231	sing	0.00Å	1.10Å
O15	HO51	sing	0.00Å	0.95Å
N1	H11	sing	0.00Å	1.02Å
C41	H411	sing	0.00Å	1.12Å
C41	H412	sing	0.00Å	1.12Å
C41	H413	sing	0.00Å	1.11Å
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	1.11Å
O20	C43	sing	0.00Å	1.45Å
C43	H431	sing	0.00Å	1.11Å
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	1.12Å
C44	H443	sing	0.00Å	1.12Å
N26	C27	sing	0.00Å	1.41Å
N26	H261	sing	0.00Å	1.02Å
C27	O27	doub	0.00Å	1.24Å
C27	C28	sing	0.00Å	1.49Å
C45	C46	sing	0.00Å	1.47Å
C45	C28	sing	0.00Å	1.56Å
C45	H451	sing	0.00Å	1.11Å
C45	H452	sing	0.00Å	1.11Å
C46	H461	sing	0.00Å	1.12Å
C46	H462	sing	0.00Å	1.11Å
C46	H463	sing	0.00Å	1.11Å
C28	C29	sing	0.00Å	1.63Å
C28	H281	sing	0.00Å	1.11Å
C29	O29	sing	0.00Å	1.45Å
C29	C30	sing	0.00Å	1.56Å
C29	O34	sing	0.00Å	1.48Å
O29	H291	sing	0.00Å	0.95Å
C30	O30	sing	0.00Å	1.17Å
C30	C31	sing	0.00Å	1.56Å
C30	H301	sing	0.00Å	1.12Å
O30	HO01	sing	0.00Å	0.95Å
C31	O31	sing	0.00Å	1.42Å
C31	C32	sing	0.00Å	1.58Å
C31	H311	sing	0.00Å	1.11Å
O31	HO11	sing	0.00Å	0.95Å
C32	C47	sing	0.00Å	1.54Å
C32	C48	sing	0.00Å	1.53Å
C32	C33	sing	0.00Å	1.58Å
C47	H471	sing	0.00Å	1.12Å
C47	H472	sing	0.00Å	1.11Å
C47	H473	sing	0.00Å	1.12Å
C48	H481	sing	0.00Å	1.11Å
C48	H482	sing	0.00Å	1.11Å
C48	H483	sing	0.00Å	1.12Å
C33	O34	sing	0.00Å	1.27Å
C33	C35	sing	0.00Å	1.53Å
C33	H331	sing	0.00Å	1.12Å
C35	C36	doub	0.00Å	1.36Å
C35	H351	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.43Å
C36	H361	sing	0.00Å	1.10Å
C37	C38	doub	0.00Å	1.36Å
C37	H371	sing	0.00Å	1.10Å
C38	C39	sing	0.00Å	1.54Å
C38	H381	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	119.5°	90.0°
C3	C2	O2	118.8°	90.0°
C2	C3	C4	118.0°	90.0°
C2	C3	C7	118.2°	90.0°
N1	C2	O2	121.7°	90.0°
C2	N1	C6	122.8°	90.0°
C2	N1	H11	119.3°	90.0°
C4	C3	C7	123.8°	90.0°
C3	C4	C5	119.9°	90.0°
C3	C4	O4	121.3°	90.0°
C3	C7	C8	122.6°	90.0°
C3	C7	O7	116.9°	90.0°
C5	C4	O4	118.8°	90.0°
C4	C5	C6	118.5°	90.0°
C4	C5	H51	120.5°	90.0°
C4	O4	H41	121.3°	90.0°
C6	C5	H51	120.9°	90.0°
C5	C6	N1	121.2°	90.0°
C5	C6	H61	121.3°	90.0°
N1	C6	H61	117.5°	90.0°
C6	N1	H11	117.9°	90.0°
C8	C7	O7	120.5°	90.0°
C7	C8	C9	119.4°	90.0°
C7	C8	C41	117.3°	90.0°
C9	C8	C41	123.3°	90.0°
C8	C9	C10	129.3°	90.0°
C8	C9	H91	112.3°	90.0°
C8	C41	H411	109.4°	90.0°
C8	C41	H412	117.3°	90.0°
C8	C41	H413	109.4°	90.0°
C21	C20	C19	117.6°	90.0°
C21	C20	O20	104.3°	90.0°
C21	C20	H201	108.1°	90.0°
C20	C21	C22	119.2°	90.0°
C20	C21	C44	119.1°	90.0°
C19	C20	O20	110.8°	90.0°
C19	C20	H201	101.2°	90.0°
C20	C19	C17	108.3°	90.0°
C20	C19	C42	110.5°	90.0°
C20	C19	H191	109.9°	90.0°
O20	C20	H201	115.2°	90.0°
C20	O20	C43	111.4°	90.0°
C22	C21	C44	121.6°	90.0°
C21	C22	C23	123.0°	90.0°
C21	C22	H221	114.3°	90.0°
C21	C44	H441	108.8°	90.0°
C21	C44	H442	119.1°	90.0°
C21	C44	H443	108.7°	90.0°
C25	C24	C23	124.0°	90.0°
C25	C24	H241	124.9°	90.0°
C24	C25	N26	115.1°	90.0°
C24	C25	H251	110.1°	90.0°
C24	C25	H252	110.2°	90.0°
C23	C24	H241	111.1°	90.0°
C24	C23	C22	118.5°	90.0°
C24	C23	H231	116.1°	90.0°
N26	C25	H251	110.2°	90.0°
N26	C25	H252	110.2°	90.0°
C25	N26	C27	121.6°	90.0°
C25	N26	H261	120.8°	90.0°
H251	C25	H252	100.1°	90.0°
C10	C9	H91	118.5°	90.0°
C9	C10	C11	116.7°	90.0°
C9	C10	H101	125.2°	90.0°
C11	C10	H101	118.0°	90.0°
C10	C11	C12	120.9°	90.0°
C10	C11	H111	115.2°	90.0°
C12	C11	H111	123.9°	90.0°
C11	C12	C13	120.1°	90.0°
C11	C12	H121	124.4°	90.0°
C13	C12	H121	115.5°	90.0°
C12	C13	C14	121.2°	90.0°
C12	C13	H131	112.8°	90.0°
C14	C13	H131	126.0°	90.0°
C13	C14	C15	115.6°	90.0°
C13	C14	O18	108.2°	90.0°
C13	C14	H141	105.3°	90.0°
C15	C14	O18	106.7°	90.0°
C15	C14	H141	106.8°	90.0°
C14	C15	C16	99.8°	90.0°
C14	C15	O15	111.3°	90.0°
C14	C15	H151	114.2°	90.0°
O18	C14	H141	114.5°	90.0°
C14	O18	C17	114.2°	90.0°
C16	C15	O15	108.4°	90.0°
C16	C15	H151	116.7°	90.0°
C15	C16	C17	106.4°	90.0°
C15	C16	O16	111.8°	90.0°
C15	C16	H161	111.2°	90.0°
O15	C15	H151	106.3°	90.0°
C15	O15	HO51	111.3°	90.0°
C17	C16	O16	112.8°	90.0°
C17	C16	H161	110.1°	90.0°
C16	C17	C19	118.3°	90.0°
C16	C17	O18	107.9°	90.0°
C16	C17	H171	104.2°	90.0°
O16	C16	H161	104.6°	90.0°
C16	O16	HO61	111.8°	90.0°
C19	C17	O18	108.7°	90.0°
C19	C17	H171	103.3°	90.0°
C17	C19	C42	110.4°	90.0°
C17	C19	H191	110.0°	90.0°
O18	C17	H171	114.6°	90.0°
C42	C19	H191	107.8°	90.0°
C19	C42	H421	111.8°	90.0°
C19	C42	H422	110.5°	90.0°
C19	C42	H423	111.8°	90.0°
C23	C22	H221	122.7°	90.0°
C22	C23	H231	125.4°	90.0°
H411	C41	H412	109.4°	90.0°
H411	C41	H413	100.7°	90.0°
H412	C41	H413	109.4°	90.0°
H421	C42	H422	111.8°	90.0°
H421	C42	H423	98.6°	90.0°
H422	C42	H423	111.8°	90.0°
O20	C43	H431	111.5°	90.0°
O20	C43	H432	111.4°	90.0°
O20	C43	H433	111.5°	90.0°
H431	C43	H432	111.5°	90.0°
H431	C43	H433	98.9°	90.0°
H432	C43	H433	111.5°	90.0°
H441	C44	H442	108.7°	90.0°
H441	C44	H443	101.3°	90.0°
H442	C44	H443	108.7°	90.0°
C27	N26	H261	117.6°	90.0°
N26	C27	O27	121.8°	90.0°
N26	C27	C28	118.5°	90.0°
O27	C27	C28	119.7°	90.0°
C27	C28	C45	111.7°	90.0°
C27	C28	C29	109.5°	90.0°
C27	C28	H281	109.0°	90.0°
C46	C45	C28	108.3°	90.0°
C46	C45	H451	112.6°	90.0°
C46	C45	H452	112.7°	90.0°
C45	C46	H461	112.7°	90.0°
C45	C46	H462	108.3°	90.0°
C45	C46	H463	112.6°	90.0°
C28	C45	H451	112.7°	90.0°
C28	C45	H452	112.6°	90.0°
C45	C28	C29	112.4°	90.0°
C45	C28	H281	105.8°	90.0°
H451	C45	H452	97.8°	90.0°
H461	C46	H462	112.6°	90.0°
H461	C46	H463	97.8°	90.0°
H462	C46	H463	112.6°	90.0°
C29	C28	H281	108.3°	90.0°
C28	C29	O29	107.1°	90.0°
C28	C29	C30	113.6°	90.0°
C28	C29	O34	111.8°	90.0°
O29	C29	C30	108.4°	90.0°
O29	C29	O34	104.1°	90.0°
C29	O29	H291	107.1°	90.0°
C30	C29	O34	111.2°	90.0°
C29	C30	O30	111.1°	90.0°
C29	C30	C31	106.8°	90.0°
C29	C30	H301	110.4°	90.0°
C29	O34	C33	119.8°	90.0°
O30	C30	C31	110.3°	90.0°
O30	C30	H301	107.0°	90.0°
C30	O30	HO01	111.1°	90.0°
C31	C30	H301	111.3°	90.0°
C30	C31	O31	113.1°	90.0°
C30	C31	C32	111.5°	90.0°
C30	C31	H311	105.3°	90.0°
O31	C31	C32	108.5°	90.0°
O31	C31	H311	108.4°	90.0°
C31	O31	HO11	113.0°	90.0°
C32	C31	H311	110.0°	90.0°
C31	C32	C47	111.3°	90.0°
C31	C32	C48	112.4°	90.0°
C31	C32	C33	105.2°	90.0°
C47	C32	C48	103.1°	90.0°
C47	C32	C33	111.4°	90.0°
C32	C47	H471	111.6°	90.0°
C32	C47	H472	111.3°	90.0°
C32	C47	H473	111.6°	90.0°
C48	C32	C33	113.6°	90.0°
C32	C48	H481	111.1°	90.0°
C32	C48	H482	112.4°	90.0°
C32	C48	H483	111.1°	90.0°
C32	C33	O34	115.9°	90.0°
C32	C33	C35	114.0°	90.0°
C32	C33	H331	100.6°	90.0°
H471	C47	H472	111.5°	90.0°
H471	C47	H473	98.8°	90.0°
H472	C47	H473	111.5°	90.0°
H481	C48	H482	111.1°	90.0°
H481	C48	H483	99.2°	90.0°
H482	C48	H483	111.1°	90.0°
O34	C33	C35	107.2°	90.0°
O34	C33	H331	108.3°	90.0°
C35	C33	H331	110.5°	90.0°
C33	C35	C36	125.6°	90.0°
C33	C35	H351	123.7°	90.0°
C36	C35	H351	110.7°	90.0°
C35	C36	C37	122.5°	90.0°
C35	C36	H361	116.2°	90.0°
C37	C36	H361	121.4°	90.0°
C36	C37	C38	121.8°	90.0°
C36	C37	H371	121.6°	90.0°
C38	C37	H371	116.6°	90.0°
C37	C38	C39	124.0°	90.0°
C37	C38	H381	111.4°	90.0°
C39	C38	H381	124.6°	90.0°
C38	C39	H391	107.1°	90.0°
C38	C39	H392	124.0°	90.0°
C38	C39	H393	107.0°	90.0°
H391	C39	H392	107.1°	90.0°
H391	C39	H393	102.6°	90.0°
H392	C39	H393	107.1°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	N1	O2	179.9°	90.0°
C2	C3	C4	C7	180.0°	90.0°
C2	C3	C4	C5	0.6°	90.0°
C2	C3	C4	O4	179.5°	90.0°
C3	C2	N1	C6	0.2°	90.0°
C2	C3	C7	C8	113.7°	90.0°
C2	C3	C7	O7	65.6°	90.0°
C3	C2	N1	H11	179.8°	90.0°
N1	C2	C3	C4	0.5°	90.0°
N1	C2	C3	C7	179.5°	90.0°
C2	N1	C6	C5	0.2°	90.0°
C2	N1	C6	H11	180.0°	90.0°
C2	N1	C6	H61	179.8°	90.0°
O2	C2	C3	C4	179.4°	90.0°
O2	C2	C3	C7	0.6°	90.0°
O2	C2	N1	C6	179.8°	90.0°
O2	C2	N1	H11	0.2°	90.0°
C3	C4	C5	O4	180.0°	90.0°
C3	C4	C5	C6	0.3°	90.0°
C3	C4	C5	H51	179.7°	90.0°
C4	C3	C7	C8	66.3°	90.0°
C4	C3	C7	O7	114.4°	90.0°
C3	C4	O4	H41	180.0°	90.0°
C7	C3	C4	C5	179.5°	90.0°
C7	C3	C4	O4	0.5°	90.0°
C3	C7	C8	O7	179.3°	90.0°
C3	C7	C8	C9	0.1°	90.0°
C3	C7	C8	C41	179.8°	90.0°
C4	C5	C6	H51	180.0°	90.0°
C4	C5	C6	N1	0.1°	90.0°
C4	C5	C6	H61	179.9°	90.0°
C5	C4	O4	H41	0.0°	90.0°
O4	C4	C5	C6	179.8°	90.0°
O4	C4	C5	H51	0.2°	90.0°
C5	C6	N1	H61	180.0°	90.0°
C5	C6	N1	H11	179.8°	90.0°
H51	C5	C6	N1	179.9°	90.0°
H51	C5	C6	H61	0.1°	90.0°
H61	C6	N1	H11	0.2°	90.0°
C7	C8	C9	C41	179.9°	90.0°
C7	C8	C9	C10	179.8°	90.0°
C7	C8	C9	H91	0.1°	90.0°
C7	C8	C41	H411	54.7°	90.0°
C7	C8	C41	H412	180.0°	90.0°
C7	C8	C41	H413	54.7°	90.0°
O7	C7	C8	C9	179.4°	90.0°
O7	C7	C8	C41	0.5°	90.0°
C8	C9	C10	H91	180.0°	90.0°
C8	C9	C10	C11	159.1°	90.0°
C8	C9	C10	H101	20.9°	90.0°
C9	C8	C41	H411	125.2°	90.0°
C9	C8	C41	H412	0.1°	90.0°
C9	C8	C41	H413	125.4°	90.0°
C41	C8	C9	C10	0.0°	90.0°
C41	C8	C9	H91	180.0°	90.0°
C8	C41	H411	H412	129.7°	90.0°
C8	C41	H411	H413	115.1°	90.0°
C8	C41	H412	H413	125.3°	90.0°
C21	C20	C19	O20	119.8°	90.0°
C21	C20	C19	H201	117.5°	90.0°
C21	C20	O20	H201	118.3°	90.0°
C20	C21	C22	C44	179.3°	90.0°
C21	C20	C19	C17	177.8°	90.0°
C21	C20	C19	C42	61.2°	90.0°
C21	C20	C19	H191	57.6°	90.0°
C20	C21	C22	C23	179.6°	90.0°
C20	C21	C22	H221	0.4°	90.0°
C21	C20	O20	C43	99.7°	90.0°
C20	C21	C44	H441	54.8°	90.0°
C20	C21	C44	H442	180.0°	90.0°
C20	C21	C44	H443	54.7°	90.0°
C19	C20	O20	H201	114.2°	90.0°
C19	C20	C21	C22	101.1°	90.0°
C19	C20	C21	C44	79.5°	90.0°
C20	C19	C17	C16	160.7°	90.0°
C20	C19	C17	C42	121.1°	90.0°
C20	C19	C17	H191	120.1°	90.0°
C20	C19	C17	O18	75.9°	90.0°
C20	C19	C17	H171	46.3°	90.0°
C20	C19	C42	H191	120.1°	90.0°
C20	C19	C42	H421	54.7°	90.0°
C20	C19	C42	H422	180.0°	90.0°
C20	C19	C42	H423	54.7°	90.0°
C19	C20	O20	C43	132.8°	90.0°
O20	C20	C21	C22	135.7°	90.0°
O20	C20	C21	C44	43.7°	90.0°
O20	C20	C19	C17	57.9°	90.0°
O20	C20	C19	C42	179.0°	90.0°
O20	C20	C19	H191	62.2°	90.0°
C20	O20	C43	H431	54.7°	90.0°
C20	O20	C43	H432	180.0°	90.0°
C20	O20	C43	H433	54.7°	90.0°
H201	C20	C21	C22	12.6°	90.0°
H201	C20	C21	C44	166.8°	90.0°
H201	C20	C19	C17	64.8°	90.0°
H201	C20	C19	C42	56.3°	90.0°
H201	C20	C19	H191	175.1°	90.0°
H201	C20	O20	C43	18.7°	90.0°
C21	C22	C23	C24	178.8°	90.0°
C21	C22	C23	H221	180.0°	90.0°
C21	C22	C23	H231	1.2°	90.0°
C22	C21	C44	H441	124.6°	90.0°
C22	C21	C44	H442	0.7°	90.0°
C22	C21	C44	H443	125.9°	90.0°
C44	C21	C22	C23	0.3°	90.0°
C44	C21	C22	H221	179.7°	90.0°
C21	C44	H441	H442	131.1°	90.0°
C21	C44	H441	H443	114.4°	90.0°
C21	C44	H442	H443	125.2°	90.0°
C25	C24	C23	H241	180.0°	90.0°
C24	C25	N26	H251	125.2°	90.0°
C24	C25	N26	H252	125.3°	90.0°
C24	C25	H251	H252	116.0°	90.0°
C25	C24	C23	C22	179.8°	90.0°
C25	C24	C23	H231	0.2°	90.0°
C24	C25	N26	C27	105.9°	90.0°
C24	C25	N26	H261	74.1°	90.0°
C23	C24	C25	N26	37.7°	90.0°
C23	C24	C25	H251	163.0°	90.0°
C23	C24	C25	H252	87.5°	90.0°
C24	C23	C22	H231	180.0°	90.0°
C24	C23	C22	H221	1.2°	90.0°
H241	C24	C25	N26	142.3°	90.0°
H241	C24	C25	H251	17.0°	90.0°
H241	C24	C25	H252	92.4°	90.0°
H241	C24	C23	C22	0.2°	90.0°
H241	C24	C23	H231	179.8°	90.0°
N26	C25	H251	H252	116.0°	90.0°
C25	N26	C27	H261	180.0°	90.0°
C25	N26	C27	O27	0.6°	90.0°
C25	N26	C27	C28	179.9°	90.0°
H251	C25	N26	C27	128.8°	90.0°
H251	C25	N26	H261	51.2°	90.0°
H252	C25	N26	C27	19.4°	90.0°
H252	C25	N26	H261	160.6°	90.0°
C9	C10	C11	H101	180.0°	90.0°
C9	C10	C11	C12	178.9°	90.0°
C9	C10	C11	H111	1.1°	90.0°
H91	C9	C10	C11	20.9°	90.0°
H91	C9	C10	H101	159.1°	90.0°
C10	C11	C12	H111	180.0°	90.0°
C10	C11	C12	C13	179.2°	90.0°
C10	C11	C12	H121	0.7°	90.0°
H101	C10	C11	C12	1.1°	90.0°
H101	C10	C11	H111	178.9°	90.0°
C11	C12	C13	H121	180.0°	90.0°
C11	C12	C13	C14	178.6°	90.0°
C11	C12	C13	H131	1.4°	90.0°
H111	C11	C12	C13	0.8°	90.0°
H111	C11	C12	H121	179.3°	90.0°
C12	C13	C14	H131	180.0°	90.0°
C12	C13	C14	C15	102.4°	90.0°
C12	C13	C14	O18	138.0°	90.0°
C12	C13	C14	H141	15.2°	90.0°
H121	C12	C13	C14	1.4°	90.0°
H121	C12	C13	H131	178.7°	90.0°
C13	C14	C15	O18	120.3°	90.0°
C13	C14	C15	H141	116.8°	90.0°
C13	C14	O18	H141	117.0°	90.0°
C13	C14	C15	C16	140.0°	90.0°
C13	C14	C15	O15	25.7°	90.0°
C13	C14	C15	H151	94.7°	90.0°
C13	C14	O18	C17	149.0°	90.0°
H131	C13	C14	C15	77.6°	90.0°
H131	C13	C14	O18	42.0°	90.0°
H131	C13	C14	H141	164.8°	90.0°
C15	C14	O18	H141	117.9°	90.0°
C14	C15	C16	O15	116.5°	90.0°
C14	C15	C16	H151	123.5°	90.0°
C14	C15	O15	H151	124.9°	90.0°
C14	C15	C16	C17	11.7°	90.0°
C14	C15	C16	O16	135.4°	90.0°
C14	C15	C16	H161	108.2°	90.0°
C15	C14	O18	C17	24.0°	90.0°
C14	C15	O15	HO51	180.0°	90.0°
O18	C14	C15	C16	19.7°	90.0°
O18	C14	C15	O15	94.6°	90.0°
O18	C14	C15	H151	145.0°	90.0°
C14	O18	C17	C16	15.4°	90.0°
C14	O18	C17	C19	144.9°	90.0°
C14	O18	C17	H171	100.1°	90.0°
H141	C14	C15	C16	103.2°	90.0°
H141	C14	C15	O15	142.5°	90.0°
H141	C14	C15	H151	22.1°	90.0°
H141	C14	O18	C17	94.0°	90.0°
C16	C15	O15	H151	126.3°	90.0°
C15	C16	C17	O16	123.0°	90.0°
C15	C16	C17	H161	120.6°	90.0°
C15	C16	O16	H161	120.4°	90.0°
C15	C16	C17	C19	125.2°	90.0°
C15	C16	C17	O18	1.3°	90.0°
C15	C16	C17	H171	120.9°	90.0°
C16	C15	O15	HO51	71.2°	90.0°
C15	C16	O16	HO61	180.0°	90.0°
O15	C15	C16	C17	104.8°	90.0°
O15	C15	C16	O16	18.9°	90.0°
O15	C15	C16	H161	135.3°	90.0°
H151	C15	C16	C17	135.2°	90.0°
H151	C15	C16	O16	101.1°	90.0°
H151	C15	C16	H161	15.3°	90.0°
H151	C15	O15	HO51	55.1°	90.0°
C17	C16	O16	H161	119.6°	90.0°
C16	C17	C19	O18	123.5°	90.0°
C16	C17	C19	H171	114.4°	90.0°
C16	C17	O18	H171	115.5°	90.0°
C16	C17	C19	C42	78.2°	90.0°
C16	C17	C19	H191	40.6°	90.0°
C17	C16	O16	HO61	60.0°	90.0°
O16	C16	C17	C19	2.2°	90.0°
O16	C16	C17	O18	121.7°	90.0°
O16	C16	C17	H171	116.1°	90.0°
H161	C16	C17	C19	114.2°	90.0°
H161	C16	C17	O18	121.9°	90.0°
H161	C16	C17	H171	0.3°	90.0°
H161	C16	O16	HO61	59.6°	90.0°
C19	C17	O18	H171	115.0°	90.0°
C17	C19	C42	H191	120.1°	90.0°
C17	C19	C42	H421	65.1°	90.0°
C17	C19	C42	H422	60.2°	90.0°
C17	C19	C42	H423	174.5°	90.0°
O18	C17	C19	C42	45.3°	90.0°
O18	C17	C19	H191	164.1°	90.0°
H171	C17	C19	C42	167.4°	90.0°
H171	C17	C19	H191	73.8°	90.0°
C19	C42	H421	H422	124.5°	90.0°
C19	C42	H421	H423	117.7°	90.0°
C19	C42	H422	H423	125.3°	90.0°
H191	C19	C42	H421	174.8°	90.0°
H191	C19	C42	H422	60.0°	90.0°
H191	C19	C42	H423	65.3°	90.0°
H221	C22	C23	H231	178.8°	90.0°
H411	C41	H412	H413	109.5°	90.0°
H421	C42	H422	H423	109.4°	90.0°
O20	C43	H431	H432	125.2°	90.0°
O20	C43	H431	H433	117.4°	90.0°
O20	C43	H432	H433	125.3°	90.0°
H431	C43	H432	H433	109.5°	90.0°
H441	C44	H442	H443	109.5°	90.0°
N26	C27	O27	C28	179.5°	90.0°
N26	C27	C28	C45	141.7°	90.0°
N26	C27	C28	C29	93.0°	90.0°
N26	C27	C28	H281	25.2°	90.0°
H261	N26	C27	O27	179.4°	90.0°
H261	N26	C27	C28	0.1°	90.0°
O27	C27	C28	C45	37.8°	90.0°
O27	C27	C28	C29	87.5°	90.0°
O27	C27	C28	H281	154.3°	90.0°
C27	C28	C45	C46	81.9°	90.0°
C27	C28	C45	C29	123.6°	90.0°
C27	C28	C45	H281	118.5°	90.0°
C27	C28	C45	H451	43.3°	90.0°
C27	C28	C45	H452	152.8°	90.0°
C27	C28	C29	H281	118.7°	90.0°
C27	C28	C29	O29	58.1°	90.0°
C27	C28	C29	C30	177.7°	90.0°
C27	C28	C29	O34	55.4°	90.0°
C46	C45	C28	H451	125.3°	90.0°
C46	C45	C28	H452	125.3°	90.0°
C46	C45	H451	H452	118.6°	90.0°
C45	C46	H461	H462	122.9°	90.0°
C45	C46	H461	H463	118.6°	90.0°
C45	C46	H462	H463	125.3°	90.0°
C46	C45	C28	C29	154.5°	90.0°
C46	C45	C28	H281	36.6°	90.0°
C28	C45	H451	H452	118.6°	90.0°
C28	C45	C46	H461	54.8°	90.0°
C28	C45	C46	H462	180.0°	90.0°
C28	C45	C46	H463	54.7°	90.0°
C45	C28	C29	H281	116.5°	90.0°
C45	C28	C29	O29	66.7°	90.0°
C45	C28	C29	C30	52.9°	90.0°
C45	C28	C29	O34	179.8°	90.0°
H451	C45	C46	H461	70.5°	90.0°
H451	C45	C46	H462	54.7°	90.0°
H451	C45	C46	H463	180.0°	90.0°
H451	C45	C28	C29	80.2°	90.0°
H451	C45	C28	H281	161.8°	90.0°
H452	C45	C46	H461	180.0°	90.0°
H452	C45	C46	H462	54.7°	90.0°
H452	C45	C46	H463	70.6°	90.0°
H452	C45	C28	C29	29.2°	90.0°
H452	C45	C28	H281	88.7°	90.0°
H461	C46	H462	H463	109.5°	90.0°
C28	C29	O29	C30	122.9°	90.0°
C28	C29	O29	O34	118.6°	90.0°
C28	C29	C30	O34	127.2°	90.0°
C28	C29	O29	H291	180.0°	90.0°
C28	C29	C30	O30	57.6°	90.0°
C28	C29	C30	C31	177.9°	90.0°
C28	C29	C30	H301	61.0°	90.0°
C28	C29	O34	C33	179.6°	90.0°
H281	C28	C29	O29	176.8°	90.0°
H281	C28	C29	C30	63.6°	90.0°
H281	C28	C29	O34	63.3°	90.0°
O29	C29	C30	O34	113.9°	90.0°
O29	C29	C30	O30	176.5°	90.0°
O29	C29	C30	C31	63.2°	90.0°
O29	C29	C30	H301	57.9°	90.0°
O29	C29	O34	C33	64.4°	90.0°
C30	C29	O29	H291	57.0°	90.0°
C29	C30	O30	C31	118.2°	90.0°
C29	C30	O30	H301	120.6°	90.0°
C29	C30	C31	H301	120.6°	90.0°
C29	C30	O30	HO01	180.0°	90.0°
C29	C30	C31	O31	179.5°	90.0°
C29	C30	C31	C32	57.9°	90.0°
C29	C30	C31	H311	61.4°	90.0°
C30	C29	O34	C33	52.2°	90.0°
O34	C29	O29	H291	61.5°	90.0°
O34	C29	C30	O30	69.6°	90.0°
O34	C29	C30	C31	50.7°	90.0°
O34	C29	C30	H301	171.8°	90.0°
C29	O34	C33	C32	53.6°	90.0°
C29	O34	C33	C35	177.9°	90.0°
C29	O34	C33	H331	58.6°	90.0°
O30	C30	C31	H301	118.5°	90.0°
O30	C30	C31	O31	59.6°	90.0°
O30	C30	C31	C32	63.0°	90.0°
O30	C30	C31	H311	177.7°	90.0°
C31	C30	O30	HO01	61.7°	90.0°
C30	C31	O31	C32	124.2°	90.0°
C30	C31	O31	H311	116.3°	90.0°
C30	C31	C32	H311	116.4°	90.0°
C30	C31	O31	HO11	180.0°	90.0°
C30	C31	C32	C47	64.8°	90.0°
C30	C31	C32	C48	179.9°	90.0°
C30	C31	C32	C33	55.9°	90.0°
H301	C30	O30	HO01	59.4°	90.0°
H301	C30	C31	O31	58.9°	90.0°
H301	C30	C31	C32	178.5°	90.0°
H301	C30	C31	H311	59.2°	90.0°
O31	C31	C32	H311	118.4°	90.0°
O31	C31	C32	C47	60.4°	90.0°
O31	C31	C32	C48	54.7°	90.0°
O31	C31	C32	C33	178.9°	90.0°
C32	C31	O31	HO11	55.8°	90.0°
C31	C32	C47	C48	120.8°	90.0°
C31	C32	C47	C33	117.0°	90.0°
C31	C32	C48	C33	119.3°	90.0°
C31	C32	C47	H471	54.7°	90.0°
C31	C32	C47	H472	180.0°	90.0°
C31	C32	C47	H473	54.7°	90.0°
C31	C32	C48	H481	54.8°	90.0°
C31	C32	C48	H482	180.0°	90.0°
C31	C32	C48	H483	54.7°	90.0°
C31	C32	C33	O34	53.0°	90.0°
C31	C32	C33	C35	178.2°	90.0°
C31	C32	C33	H331	63.5°	90.0°
H311	C31	O31	HO11	63.7°	90.0°
H311	C31	C32	C47	178.8°	90.0°
H311	C31	C32	C48	63.7°	90.0°
H311	C31	C32	C33	60.5°	90.0°
C47	C32	C48	C33	120.7°	90.0°
C32	C47	H471	H472	125.1°	90.0°
C32	C47	H471	H473	117.5°	90.0°
C32	C47	H472	H473	125.3°	90.0°
C47	C32	C48	H481	174.7°	90.0°
C47	C32	C48	H482	60.0°	90.0°
C47	C32	C48	H483	65.2°	90.0°
C47	C32	C33	O34	67.6°	90.0°
C47	C32	C33	C35	57.5°	90.0°
C47	C32	C33	H331	175.8°	90.0°
C48	C32	C47	H471	66.0°	90.0°
C48	C32	C47	H472	59.2°	90.0°
C48	C32	C47	H473	175.5°	90.0°
C32	C48	H481	H482	126.0°	90.0°
C32	C48	H481	H483	117.0°	90.0°
C32	C48	H482	H483	125.3°	90.0°
C48	C32	C33	O34	176.4°	90.0°
C48	C32	C33	C35	58.4°	90.0°
C48	C32	C33	H331	59.9°	90.0°
C33	C32	C47	H471	171.7°	90.0°
C33	C32	C47	H472	63.0°	90.0°
C33	C32	C47	H473	62.3°	90.0°
C33	C32	C48	H481	64.6°	90.0°
C33	C32	C48	H482	60.7°	90.0°
C33	C32	C48	H483	174.1°	90.0°
C32	C33	O34	C35	128.6°	90.0°
C32	C33	O34	H331	112.1°	90.0°
C32	C33	C35	H331	112.5°	90.0°
C32	C33	C35	C36	130.3°	90.0°
C32	C33	C35	H351	49.7°	90.0°
H471	C47	H472	H473	109.4°	90.0°
H481	C48	H482	H483	109.5°	90.0°
O34	C33	C35	H331	117.9°	90.0°
O34	C33	C35	C36	0.6°	90.0°
O34	C33	C35	H351	179.4°	90.0°
C33	C35	C36	H351	180.0°	90.0°
C33	C35	C36	C37	179.7°	90.0°
C33	C35	C36	H361	0.3°	90.0°
H331	C33	C35	C36	117.2°	90.0°
H331	C33	C35	H351	62.8°	90.0°
C35	C36	C37	H361	180.0°	90.0°
C35	C36	C37	C38	179.9°	90.0°
C35	C36	C37	H371	0.1°	90.0°
H351	C35	C36	C37	0.3°	90.0°
H351	C35	C36	H361	179.7°	90.0°
C36	C37	C38	H371	180.0°	90.0°
C36	C37	C38	C39	0.3°	90.0°
C36	C37	C38	H381	179.7°	90.0°
H361	C36	C37	C38	0.1°	90.0°
H361	C36	C37	H371	179.9°	90.0°
C37	C38	C39	H381	180.0°	90.0°
C37	C38	C39	H391	54.7°	90.0°
C37	C38	C39	H392	180.0°	90.0°
C37	C38	C39	H393	54.7°	90.0°
H371	C37	C38	C39	179.7°	90.0°
H371	C37	C38	H381	0.3°	90.0°
C38	C39	H391	H392	135.0°	90.0°
C38	C39	H391	H393	112.5°	90.0°
C38	C39	H392	H393	125.2°	90.0°
H381	C38	C39	H391	125.3°	90.0°
H381	C38	C39	H392	0.0°	90.0°
H381	C38	C39	H393	125.2°	90.0°
H391	C39	H392	H393	109.5°	90.0°

Definition date:	2002-04-10
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB