RFP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	0.00Å	1.43Å	Aromatic
C1	C9	sing	0.00Å	1.44Å	Aromatic
C1	O1	sing	0.00Å	1.34Å
C2	C3	sing	0.00Å	1.42Å	Aromatic
C2	N1	sing	0.00Å	1.43Å
C3	C4	doub	0.00Å	1.41Å	Aromatic
C3	C43	sing	0.00Å	1.47Å
C4	C10	sing	0.00Å	1.42Å	Aromatic
C4	O12	sing	0.00Å	1.38Å
C5	C6	doub	0.00Å	1.43Å	Aromatic
C5	C10	sing	0.00Å	1.49Å	Aromatic
C5	C11	sing	0.00Å	1.41Å
C6	C7	sing	0.00Å	1.37Å	Aromatic
C6	O3	sing	0.00Å	1.37Å
C7	C8	doub	0.00Å	1.46Å	Aromatic
C7	C14	sing	0.00Å	1.50Å
C8	C9	sing	0.00Å	1.51Å	Aromatic
C8	O2	sing	0.00Å	1.28Å
C9	C10	doub	0.00Å	1.47Å	Aromatic
C11	C12	sing	0.00Å	1.49Å
C11	O4	doub	0.00Å	1.27Å
C12	C13	sing	0.00Å	1.50Å
C12	O3	sing	0.00Å	1.46Å
C12	O5	sing	0.00Å	1.50Å
C13	H131	sing	0.00Å	1.12Å
C13	H132	sing	0.00Å	1.11Å
C13	H133	sing	0.00Å	1.11Å
C14	H141	sing	0.00Å	1.12Å
C14	H142	sing	0.00Å	1.11Å
C14	H143	sing	0.00Å	1.12Å
C15	C16	sing	0.00Å	1.51Å
C15	N1	sing	0.00Å	1.34Å
C15	O11	doub	0.00Å	1.21Å
C16	C17	doub	0.00Å	1.38Å
C16	C30	sing	0.00Å	1.51Å
C17	C18	sing	0.00Å	1.49Å
C17	H17C	sing	0.00Å	1.10Å
C18	C19	doub	0.00Å	1.35Å
C18	H18C	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.52Å
C19	H19C	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.54Å
C20	C31	sing	0.00Å	1.55Å
C20	H20C	sing	0.00Å	1.12Å
C21	C22	sing	0.00Å	1.54Å
C21	O10	sing	0.00Å	1.43Å
C21	H211	sing	0.00Å	1.11Å
C22	C23	sing	0.00Å	1.54Å
C22	C32	sing	0.00Å	1.55Å
C22	H22C	sing	0.00Å	1.11Å
C23	C24	sing	0.00Å	1.55Å
C23	O9	sing	0.00Å	1.45Å
C23	H23C	sing	0.00Å	1.12Å
C24	C25	sing	0.00Å	1.55Å
C24	C33	sing	0.00Å	1.54Å
C24	H24C	sing	0.00Å	1.11Å
C25	C26	sing	0.00Å	1.56Å
C25	O7	sing	0.00Å	1.44Å
C25	H25C	sing	0.00Å	1.12Å
C26	C27	sing	0.00Å	1.55Å
C26	C34	sing	0.00Å	1.51Å
C26	H26C	sing	0.00Å	1.11Å
C27	C28	sing	0.00Å	1.55Å
C27	O6	sing	0.00Å	1.48Å
C27	H27C	sing	0.00Å	1.11Å
C28	C29	doub	0.00Å	1.34Å
C28	H28C	sing	0.00Å	1.10Å
C29	O5	sing	0.00Å	1.48Å
C29	H29C	sing	0.00Å	1.10Å
C30	H301	sing	0.00Å	1.12Å
C30	H302	sing	0.00Å	1.11Å
C30	H303	sing	0.00Å	1.11Å
C31	H311	sing	0.00Å	1.12Å
C31	H312	sing	0.00Å	1.11Å
C31	H313	sing	0.00Å	1.12Å
C32	H321	sing	0.00Å	1.12Å
C32	H322	sing	0.00Å	1.12Å
C32	H323	sing	0.00Å	1.12Å
C33	H331	sing	0.00Å	1.11Å
C33	H332	sing	0.00Å	1.12Å
C33	H333	sing	0.00Å	1.12Å
C34	H341	sing	0.00Å	1.11Å
C34	H342	sing	0.00Å	1.12Å
C34	H343	sing	0.00Å	1.12Å
C35	C36	sing	0.00Å	1.46Å
C35	O7	sing	0.00Å	1.35Å
C35	O8	doub	0.00Å	1.18Å
C36	H361	sing	0.00Å	1.12Å
C36	H362	sing	0.00Å	1.11Å
C36	H363	sing	0.00Å	1.11Å
C37	O6	sing	0.00Å	1.46Å
C37	H371	sing	0.00Å	1.12Å
C37	H372	sing	0.00Å	1.11Å
C37	H373	sing	0.00Å	1.12Å
C38	N4	sing	0.00Å	1.48Å
C38	H381	sing	0.00Å	1.11Å
C38	H382	sing	0.00Å	1.12Å
C38	H383	sing	0.00Å	1.11Å
C39	C40	sing	0.00Å	1.52Å
C39	N4	sing	0.00Å	1.52Å
C39	H391	sing	0.00Å	1.12Å
C39	H392	sing	0.00Å	1.11Å
C40	N3	sing	0.00Å	1.46Å
C40	H401	sing	0.00Å	1.11Å
C40	H402	sing	0.00Å	1.11Å
C41	C42	sing	0.00Å	1.52Å
C41	N3	sing	0.00Å	1.47Å
C41	H411	sing	0.00Å	1.12Å
C41	H412	sing	0.00Å	1.11Å
C42	N4	sing	0.00Å	1.51Å
C42	H421	sing	0.00Å	1.12Å
C42	H422	sing	0.00Å	1.12Å
C43	N2	doub	0.00Å	1.30Å
C43	HC43	sing	0.00Å	1.10Å
N1	HN1	sing	0.00Å	1.02Å
N2	N3	sing	0.00Å	1.40Å
O1	HO1	sing	0.00Å	0.95Å
O2	HO2	sing	0.00Å	0.95Å
O9	HO9	sing	0.00Å	0.95Å
O10	H10O	sing	0.00Å	0.95Å
O12	H12O	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C9	118.6°	90.0°
C2	C1	O1	120.1°	90.0°
C1	C2	C3	121.8°	90.0°
C1	C2	N1	120.4°	90.0°
C9	C1	O1	121.2°	90.0°
C1	C9	C8	119.1°	90.0°
C1	C9	C10	119.0°	90.0°
C1	O1	HO1	120.1°	90.0°
C3	C2	N1	117.3°	90.0°
C2	C3	C4	119.4°	90.0°
C2	C3	C43	123.3°	90.0°
C2	N1	C15	128.7°	90.0°
C2	N1	HN1	119.4°	90.0°
C4	C3	C43	117.2°	90.0°
C3	C4	C10	121.1°	90.0°
C3	C4	O12	114.7°	90.0°
C3	C43	N2	120.5°	90.0°
C3	C43	HC43	125.8°	90.0°
C10	C4	O12	124.2°	90.0°
C4	C10	C5	125.0°	90.0°
C4	C10	C9	119.6°	90.0°
C4	O12	H12O	114.7°	90.0°
C6	C5	C10	119.3°	90.0°
C6	C5	C11	106.7°	90.0°
C5	C6	C7	127.5°	90.0°
C5	C6	O3	111.7°	90.0°
C10	C5	C11	133.8°	90.0°
C5	C10	C9	115.4°	90.0°
C5	C11	C12	108.5°	90.0°
C5	C11	O4	132.7°	90.0°
C7	C6	O3	120.8°	90.0°
C6	C7	C8	116.5°	90.0°
C6	C7	C14	124.0°	90.0°
C6	O3	C12	108.2°	90.0°
C8	C7	C14	119.5°	90.0°
C7	C8	C9	119.5°	90.0°
C7	C8	O2	120.8°	90.0°
C7	C14	H141	124.0°	90.0°
C7	C14	H142	107.1°	90.0°
C7	C14	H143	107.0°	90.0°
C9	C8	O2	119.8°	90.0°
C8	C9	C10	121.8°	90.0°
C8	O2	HO2	120.8°	90.0°
C12	C11	O4	118.8°	90.0°
C11	C12	C13	114.1°	90.0°
C11	C12	O3	104.9°	90.0°
C11	C12	O5	110.1°	90.0°
C13	C12	O3	110.3°	90.0°
C13	C12	O5	108.1°	90.0°
C12	C13	H131	114.1°	90.0°
C12	C13	H132	110.5°	90.0°
C12	C13	H133	110.5°	90.0°
O3	C12	O5	109.3°	90.0°
C12	O5	C29	120.3°	90.0°
H131	C13	H132	110.5°	90.0°
H131	C13	H133	110.5°	90.0°
H132	C13	H133	99.8°	90.0°
H141	C14	H142	107.1°	90.0°
H141	C14	H143	107.0°	90.0°
H142	C14	H143	102.7°	90.0°
C16	C15	N1	112.5°	90.0°
C16	C15	O11	121.0°	90.0°
C15	C16	C17	124.7°	90.0°
C15	C16	C30	112.5°	90.0°
N1	C15	O11	126.6°	90.0°
C15	N1	HN1	111.9°	90.0°
C17	C16	C30	122.8°	90.0°
C16	C17	C18	129.9°	90.0°
C16	C17	H17C	110.7°	90.0°
C16	C30	H301	112.5°	90.0°
C16	C30	H302	111.1°	90.0°
C16	C30	H303	111.1°	90.0°
C18	C17	H17C	119.4°	90.0°
C17	C18	C19	122.9°	90.0°
C17	C18	H18C	123.5°	90.0°
C19	C18	H18C	113.6°	90.0°
C18	C19	C20	128.4°	90.0°
C18	C19	H19C	108.8°	90.0°
C20	C19	H19C	122.8°	90.0°
C19	C20	C21	112.6°	90.0°
C19	C20	C31	105.7°	90.0°
C19	C20	H20C	111.4°	90.0°
C21	C20	C31	113.2°	90.0°
C21	C20	H20C	103.5°	90.0°
C20	C21	C22	117.5°	90.0°
C20	C21	O10	105.0°	90.0°
C20	C21	H211	107.6°	90.0°
C31	C20	H20C	110.7°	90.0°
C20	C31	H311	105.6°	90.0°
C20	C31	H312	113.6°	90.0°
C20	C31	H313	113.6°	90.0°
C22	C21	O10	110.8°	90.0°
C22	C21	H211	101.5°	90.0°
C21	C22	C23	114.9°	90.0°
C21	C22	C32	112.3°	90.0°
C21	C22	H22C	103.1°	90.0°
O10	C21	H211	114.8°	90.0°
C21	O10	H10O	105.1°	90.0°
C23	C22	C32	108.2°	90.0°
C23	C22	H22C	107.6°	90.0°
C22	C23	C24	119.0°	90.0°
C22	C23	O9	111.4°	90.0°
C22	C23	H23C	100.0°	90.0°
C32	C22	H22C	110.5°	90.0°
C22	C32	H321	112.3°	90.0°
C22	C32	H322	111.2°	90.0°
C22	C32	H323	111.2°	90.0°
C24	C23	O9	105.5°	90.0°
C24	C23	H23C	106.4°	90.0°
C23	C24	C25	109.4°	90.0°
C23	C24	C33	112.9°	90.0°
C23	C24	H24C	107.6°	90.0°
O9	C23	H23C	114.8°	90.0°
C23	O9	HO9	111.4°	90.0°
C25	C24	C33	110.7°	90.0°
C25	C24	H24C	110.0°	90.0°
C24	C25	C26	115.7°	90.0°
C24	C25	O7	108.0°	90.0°
C24	C25	H25C	106.6°	90.0°
C33	C24	H24C	106.2°	90.0°
C24	C33	H331	112.9°	90.0°
C24	C33	H332	111.0°	90.0°
C24	C33	H333	110.9°	90.0°
C26	C25	O7	110.6°	90.0°
C26	C25	H25C	103.8°	90.0°
C25	C26	C27	112.1°	90.0°
C25	C26	C34	107.2°	90.0°
C25	C26	H26C	110.3°	90.0°
O7	C25	H25C	112.1°	90.0°
C25	O7	C35	119.5°	90.0°
C27	C26	C34	112.4°	90.0°
C27	C26	H26C	104.9°	90.0°
C26	C27	C28	115.9°	90.0°
C26	C27	O6	107.7°	90.0°
C26	C27	H27C	106.7°	90.0°
C34	C26	H26C	110.0°	90.0°
C26	C34	H341	107.2°	90.0°
C26	C34	H342	113.1°	90.0°
C26	C34	H343	113.1°	90.0°
C28	C27	O6	110.5°	90.0°
C28	C27	H27C	103.7°	90.0°
C27	C28	C29	123.5°	90.0°
C27	C28	H28C	125.8°	90.0°
O6	C27	H27C	112.5°	90.0°
C27	O6	C37	111.6°	90.0°
C29	C28	H28C	110.7°	90.0°
C28	C29	O5	123.9°	90.0°
C28	C29	H29C	112.8°	90.0°
O5	C29	H29C	123.3°	90.0°
H301	C30	H302	111.1°	90.0°
H301	C30	H303	111.1°	90.0°
H302	C30	H303	99.3°	90.0°
H311	C31	H312	113.7°	90.0°
H311	C31	H313	113.6°	90.0°
H312	C31	H313	96.9°	90.0°
H321	C32	H322	111.1°	90.0°
H321	C32	H323	111.1°	90.0°
H322	C32	H323	99.1°	90.0°
H331	C33	H332	111.0°	90.0°
H331	C33	H333	111.0°	90.0°
H332	C33	H333	99.3°	90.0°
H341	C34	H342	113.1°	90.0°
H341	C34	H343	113.1°	90.0°
H342	C34	H343	97.3°	90.0°
C36	C35	O7	112.6°	90.0°
C36	C35	O8	125.5°	90.0°
C35	C36	H361	112.6°	90.0°
C35	C36	H362	111.1°	90.0°
C35	C36	H363	111.1°	90.0°
O7	C35	O8	121.9°	90.0°
H361	C36	H362	111.0°	90.0°
H361	C36	H363	111.1°	90.0°
H362	C36	H363	99.3°	90.0°
O6	C37	H371	111.6°	90.0°
O6	C37	H372	111.5°	90.0°
O6	C37	H373	111.5°	90.0°
H371	C37	H372	111.4°	90.0°
H371	C37	H373	111.3°	90.0°
H372	C37	H373	99.0°	90.0°
N4	C38	H381	110.8°	90.0°
N4	C38	H382	111.7°	90.0°
N4	C38	H383	111.8°	90.0°
C38	N4	C39	110.8°	90.0°
C38	N4	C42	111.9°	90.0°
H381	C38	H382	111.7°	90.0°
H381	C38	H383	111.7°	90.0°
H382	C38	H383	98.6°	90.0°
C40	C39	N4	110.2°	90.0°
C40	C39	H391	112.0°	90.0°
C40	C39	H392	112.0°	90.0°
C39	C40	N3	109.6°	90.0°
C39	C40	H401	112.2°	90.0°
C39	C40	H402	112.1°	90.0°
N4	C39	H391	111.9°	90.0°
N4	C39	H392	112.0°	90.0°
C39	N4	C42	110.9°	90.0°
H391	C39	H392	98.4°	90.0°
N3	C40	H401	112.1°	90.0°
N3	C40	H402	112.2°	90.0°
C40	N3	C41	112.2°	90.0°
C40	N3	N2	120.8°	90.0°
H401	C40	H402	98.3°	90.0°
C42	C41	N3	108.3°	90.0°
C42	C41	H411	112.6°	90.0°
C42	C41	H412	112.6°	90.0°
C41	C42	N4	111.1°	90.0°
C41	C42	H421	111.6°	90.0°
C41	C42	H422	111.6°	90.0°
N3	C41	H411	112.6°	90.0°
N3	C41	H412	112.6°	90.0°
C41	N3	N2	107.2°	90.0°
H411	C41	H412	97.9°	90.0°
N4	C42	H421	111.6°	90.0°
N4	C42	H422	111.6°	90.0°
H421	C42	H422	98.7°	90.0°
N2	C43	HC43	113.7°	90.0°
C43	N2	N3	121.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C9	O1	178.0°	90.0°
C1	C2	C3	N1	171.9°	90.0°
C1	C2	C3	C4	6.9°	90.0°
C1	C2	C3	C43	169.2°	90.0°
C2	C1	C9	C8	179.6°	90.0°
C2	C1	C9	C10	1.3°	90.0°
C1	C2	N1	C15	51.4°	90.0°
C1	C2	N1	HN1	128.6°	90.0°
C2	C1	O1	HO1	180.0°	90.0°
C9	C1	C2	C3	4.1°	90.0°
C9	C1	C2	N1	175.8°	90.0°
C1	C9	C10	C4	1.4°	90.0°
C1	C9	C10	C5	178.7°	90.0°
C1	C9	C8	C7	178.9°	90.0°
C1	C9	C8	C10	179.1°	90.0°
C1	C9	C8	O2	1.1°	90.0°
C9	C1	O1	HO1	2.1°	90.0°
O1	C1	C2	C3	173.9°	90.0°
O1	C1	C2	N1	2.2°	90.0°
O1	C1	C9	C8	2.5°	90.0°
O1	C1	C9	C10	176.7°	90.0°
C2	C3	C4	C43	176.4°	90.0°
C2	C3	C4	C10	7.0°	90.0°
C2	C3	C4	O12	174.4°	90.0°
C3	C2	N1	C15	136.6°	90.0°
C2	C3	C43	N2	24.8°	90.0°
C2	C3	C43	HC43	155.2°	90.0°
C3	C2	N1	HN1	43.5°	90.0°
N1	C2	C3	C4	178.9°	90.0°
N1	C2	C3	C43	2.7°	90.0°
C2	N1	C15	C16	179.3°	90.0°
C2	N1	C15	HN1	180.0°	90.0°
C2	N1	C15	O11	0.4°	90.0°
C3	C4	C10	O12	178.4°	90.0°
C3	C4	C10	C5	175.8°	90.0°
C3	C4	C10	C9	4.3°	90.0°
C4	C3	C43	N2	159.0°	90.0°
C4	C3	C43	HC43	21.1°	90.0°
C3	C4	O12	H12O	180.0°	90.0°
C43	C3	C4	C10	169.4°	90.0°
C43	C3	C4	O12	9.2°	90.0°
C3	C43	N2	HC43	180.0°	90.0°
C3	C43	N2	N3	166.0°	90.0°
C4	C10	C5	C6	179.4°	90.0°
C4	C10	C5	C9	180.0°	90.0°
C4	C10	C5	C11	6.2°	90.0°
C4	C10	C9	C8	179.5°	90.0°
C10	C4	O12	H12O	1.5°	90.0°
O12	C4	C10	C5	2.7°	90.0°
O12	C4	C10	C9	177.3°	90.0°
C6	C5	C10	C11	173.2°	90.0°
C5	C6	C7	O3	179.1°	90.0°
C5	C6	C7	C8	2.5°	90.0°
C5	C6	C7	C14	179.2°	90.0°
C6	C5	C10	C9	0.6°	90.0°
C6	C5	C11	C12	0.4°	90.0°
C6	C5	C11	O4	178.5°	90.0°
C5	C6	O3	C12	2.7°	90.0°
C10	C5	C6	C7	2.3°	90.0°
C10	C5	C6	O3	176.9°	90.0°
C5	C10	C9	C8	0.5°	90.0°
C10	C5	C11	C12	174.2°	90.0°
C10	C5	C11	O4	4.6°	90.0°
C11	C5	C6	C7	177.2°	90.0°
C11	C5	C6	O3	2.0°	90.0°
C11	C5	C10	C9	173.8°	90.0°
C5	C11	C12	O4	179.0°	90.0°
C5	C11	C12	C13	121.9°	90.0°
C5	C11	C12	O3	1.1°	90.0°
C5	C11	C12	O5	116.3°	90.0°
C6	C7	C8	C14	178.3°	90.0°
C6	C7	C8	C9	1.2°	90.0°
C6	C7	C8	O2	178.9°	90.0°
C7	C6	O3	C12	176.5°	90.0°
C6	C7	C14	H141	180.0°	90.0°
C6	C7	C14	H142	54.7°	90.0°
C6	C7	C14	H143	54.8°	90.0°
O3	C6	C7	C8	176.6°	90.0°
O3	C6	C7	C14	1.7°	90.0°
C6	O3	C12	C11	2.3°	90.0°
C6	O3	C12	C13	125.6°	90.0°
C6	O3	C12	O5	115.7°	90.0°
C7	C8	C9	O2	179.9°	90.0°
C7	C8	C9	C10	0.2°	90.0°
C8	C7	C14	H141	1.8°	90.0°
C8	C7	C14	H142	127.0°	90.0°
C8	C7	C14	H143	123.5°	90.0°
C7	C8	O2	HO2	180.0°	90.0°
C14	C7	C8	C9	179.5°	90.0°
C14	C7	C8	O2	0.5°	90.0°
C7	C14	H141	H142	125.3°	90.0°
C7	C14	H141	H143	125.2°	90.0°
C7	C14	H142	H143	112.5°	90.0°
C9	C8	O2	HO2	0.1°	90.0°
O2	C8	C9	C10	179.7°	90.0°
C11	C12	C13	O3	117.7°	90.0°
C11	C12	C13	O5	122.9°	90.0°
C11	C12	O3	O5	118.1°	90.0°
C11	C12	C13	H131	180.0°	90.0°
C11	C12	C13	H132	54.7°	90.0°
C11	C12	C13	H133	54.7°	90.0°
C11	C12	O5	C29	34.9°	90.0°
O4	C11	C12	C13	59.0°	90.0°
O4	C11	C12	O3	179.8°	90.0°
O4	C11	C12	O5	62.7°	90.0°
C13	C12	O3	O5	118.7°	90.0°
C12	C13	H131	H132	125.2°	90.0°
C12	C13	H131	H133	125.2°	90.0°
C12	C13	H132	H133	116.3°	90.0°
C13	C12	O5	C29	160.2°	90.0°
O3	C12	C13	H131	62.3°	90.0°
O3	C12	C13	H132	63.0°	90.0°
O3	C12	C13	H133	172.5°	90.0°
O3	C12	O5	C29	79.8°	90.0°
O5	C12	C13	H131	57.1°	90.0°
O5	C12	C13	H132	177.6°	90.0°
O5	C12	C13	H133	68.1°	90.0°
C12	O5	C29	C28	88.3°	90.0°
C12	O5	C29	H29C	91.7°	90.0°
H131	C13	H132	H133	116.4°	90.0°
H141	C14	H142	H143	112.5°	90.0°
C16	C15	N1	O11	179.7°	90.0°
C15	C16	C17	C30	179.2°	90.0°
C15	C16	C17	C18	0.5°	90.0°
C15	C16	C17	H17C	179.5°	90.0°
C15	C16	C30	H301	180.0°	90.0°
C15	C16	C30	H302	54.7°	90.0°
C15	C16	C30	H303	54.8°	90.0°
C16	C15	N1	HN1	0.7°	90.0°
N1	C15	C16	C17	45.1°	90.0°
N1	C15	C16	C30	134.2°	90.0°
O11	C15	C16	C17	135.2°	90.0°
O11	C15	C16	C30	45.5°	90.0°
O11	C15	N1	HN1	179.6°	90.0°
C16	C17	C18	H17C	180.0°	90.0°
C16	C17	C18	C19	169.5°	90.0°
C16	C17	C18	H18C	10.5°	90.0°
C17	C16	C30	H301	0.7°	90.0°
C17	C16	C30	H302	124.6°	90.0°
C17	C16	C30	H303	125.9°	90.0°
C30	C16	C17	C18	179.7°	90.0°
C30	C16	C17	H17C	0.3°	90.0°
C16	C30	H301	H302	125.2°	90.0°
C16	C30	H301	H303	125.2°	90.0°
C16	C30	H302	H303	117.0°	90.0°
C17	C18	C19	H18C	180.0°	90.0°
C17	C18	C19	C20	126.3°	90.0°
C17	C18	C19	H19C	53.7°	90.0°
H17C	C17	C18	C19	10.5°	90.0°
H17C	C17	C18	H18C	169.5°	90.0°
C18	C19	C20	H19C	180.0°	90.0°
C18	C19	C20	C21	56.2°	90.0°
C18	C19	C20	C31	67.9°	90.0°
C18	C19	C20	H20C	171.9°	90.0°
H18C	C18	C19	C20	53.7°	90.0°
H18C	C18	C19	H19C	126.3°	90.0°
C19	C20	C21	C31	119.8°	90.0°
C19	C20	C21	H20C	120.4°	90.0°
C19	C20	C31	H20C	120.7°	90.0°
C19	C20	C21	C22	164.1°	90.0°
C19	C20	C21	O10	72.3°	90.0°
C19	C20	C21	H211	50.5°	90.0°
C19	C20	C31	H311	180.0°	90.0°
C19	C20	C31	H312	54.8°	90.0°
C19	C20	C31	H313	54.8°	90.0°
H19C	C19	C20	C21	123.8°	90.0°
H19C	C19	C20	C31	112.1°	90.0°
H19C	C19	C20	H20C	8.2°	90.0°
C21	C20	C31	H20C	115.7°	90.0°
C20	C21	C22	O10	120.7°	90.0°
C20	C21	C22	H211	117.0°	90.0°
C20	C21	O10	H211	118.0°	90.0°
C20	C21	C22	C23	174.3°	90.0°
C20	C21	C22	C32	61.5°	90.0°
C20	C21	C22	H22C	57.5°	90.0°
C21	C20	C31	H311	56.3°	90.0°
C21	C20	C31	H312	68.9°	90.0°
C21	C20	C31	H313	178.5°	90.0°
C20	C21	O10	H10O	179.9°	90.0°
C31	C20	C21	C22	44.3°	90.0°
C31	C20	C21	O10	168.0°	90.0°
C31	C20	C21	H211	69.3°	90.0°
C20	C31	H311	H312	125.2°	90.0°
C20	C31	H311	H313	125.2°	90.0°
C20	C31	H312	H313	119.6°	90.0°
H20C	C20	C21	C22	75.5°	90.0°
H20C	C20	C21	O10	48.1°	90.0°
H20C	C20	C21	H211	170.8°	90.0°
H20C	C20	C31	H311	59.3°	90.0°
H20C	C20	C31	H312	175.4°	90.0°
H20C	C20	C31	H313	65.9°	90.0°
C22	C21	O10	H211	114.2°	90.0°
C21	C22	C23	C32	126.3°	90.0°
C21	C22	C23	H22C	114.2°	90.0°
C21	C22	C32	H22C	114.6°	90.0°
C21	C22	C23	C24	101.1°	90.0°
C21	C22	C23	O9	22.0°	90.0°
C21	C22	C23	H23C	143.7°	90.0°
C21	C22	C32	H321	180.0°	90.0°
C21	C22	C32	H322	54.7°	90.0°
C21	C22	C32	H323	54.7°	90.0°
C22	C21	O10	H10O	52.1°	90.0°
O10	C21	C22	C23	65.1°	90.0°
O10	C21	C22	C32	59.2°	90.0°
O10	C21	C22	H22C	178.1°	90.0°
H211	C21	C22	C23	57.2°	90.0°
H211	C21	C22	C32	178.5°	90.0°
H211	C21	C22	H22C	59.6°	90.0°
H211	C21	O10	H10O	62.1°	90.0°
C23	C22	C32	H22C	117.6°	90.0°
C22	C23	C24	O9	125.9°	90.0°
C22	C23	C24	H23C	111.7°	90.0°
C22	C23	O9	H23C	112.7°	90.0°
C22	C23	C24	C25	166.7°	90.0°
C22	C23	C24	C33	69.6°	90.0°
C22	C23	C24	H24C	47.3°	90.0°
C23	C22	C32	H321	52.1°	90.0°
C23	C22	C32	H322	177.4°	90.0°
C23	C22	C32	H323	73.1°	90.0°
C22	C23	O9	HO9	180.0°	90.0°
C32	C22	C23	C24	132.6°	90.0°
C32	C22	C23	O9	104.4°	90.0°
C32	C22	C23	H23C	17.4°	90.0°
C22	C32	H321	H322	125.3°	90.0°
C22	C32	H321	H323	125.3°	90.0°
C22	C32	H322	H323	117.1°	90.0°
H22C	C22	C23	C24	13.2°	90.0°
H22C	C22	C23	O9	136.2°	90.0°
H22C	C22	C23	H23C	102.0°	90.0°
H22C	C22	C32	H321	65.4°	90.0°
H22C	C22	C32	H322	59.8°	90.0°
H22C	C22	C32	H323	169.3°	90.0°
C24	C23	O9	H23C	116.9°	90.0°
C23	C24	C25	C33	124.9°	90.0°
C23	C24	C25	H24C	118.0°	90.0°
C23	C24	C33	H24C	117.7°	90.0°
C23	C24	C25	C26	144.2°	90.0°
C23	C24	C25	O7	91.3°	90.0°
C23	C24	C25	H25C	29.4°	90.0°
C23	C24	C33	H331	180.0°	90.0°
C23	C24	C33	H332	54.7°	90.0°
C23	C24	C33	H333	54.7°	90.0°
C24	C23	O9	HO9	49.6°	90.0°
O9	C23	C24	C25	40.8°	90.0°
O9	C23	C24	C33	164.5°	90.0°
O9	C23	C24	H24C	78.6°	90.0°
H23C	C23	C24	C25	81.6°	90.0°
H23C	C23	C24	C33	42.0°	90.0°
H23C	C23	C24	H24C	158.9°	90.0°
H23C	C23	O9	HO9	67.3°	90.0°
C25	C24	C33	H24C	119.4°	90.0°
C24	C25	C26	O7	123.2°	90.0°
C24	C25	C26	H25C	116.4°	90.0°
C24	C25	O7	H25C	117.1°	90.0°
C24	C25	C26	C27	164.2°	90.0°
C24	C25	C26	C34	72.0°	90.0°
C24	C25	C26	H26C	47.7°	90.0°
C25	C24	C33	H331	57.1°	90.0°
C25	C24	C33	H332	177.7°	90.0°
C25	C24	C33	H333	68.2°	90.0°
C24	C25	O7	C35	98.3°	90.0°
C33	C24	C25	C26	90.8°	90.0°
C33	C24	C25	O7	33.7°	90.0°
C33	C24	C25	H25C	154.3°	90.0°
C24	C33	H331	H332	125.3°	90.0°
C24	C33	H331	H333	125.2°	90.0°
C24	C33	H332	H333	116.8°	90.0°
H24C	C24	C25	C26	26.2°	90.0°
H24C	C24	C25	O7	150.8°	90.0°
H24C	C24	C25	H25C	88.6°	90.0°
H24C	C24	C33	H331	62.3°	90.0°
H24C	C24	C33	H332	63.0°	90.0°
H24C	C24	C33	H333	172.4°	90.0°
C26	C25	O7	H25C	115.3°	90.0°
C25	C26	C27	C34	120.8°	90.0°
C25	C26	C27	H26C	119.7°	90.0°
C25	C26	C34	H26C	119.9°	90.0°
C25	C26	C27	C28	174.7°	90.0°
C25	C26	C27	O6	61.2°	90.0°
C25	C26	C27	H27C	59.8°	90.0°
C25	C26	C34	H341	180.0°	90.0°
C25	C26	C34	H342	54.7°	90.0°
C25	C26	C34	H343	54.7°	90.0°
C26	C25	O7	C35	134.2°	90.0°
O7	C25	C26	C27	41.1°	90.0°
O7	C25	C26	C34	164.8°	90.0°
O7	C25	C26	H26C	75.4°	90.0°
C25	O7	C35	C36	178.8°	90.0°
C25	O7	C35	O8	0.7°	90.0°
H25C	C25	C26	C27	79.4°	90.0°
H25C	C25	C26	C34	44.4°	90.0°
H25C	C25	C26	H26C	164.1°	90.0°
H25C	C25	O7	C35	18.8°	90.0°
C27	C26	C34	H26C	116.5°	90.0°
C26	C27	C28	O6	122.7°	90.0°
C26	C27	C28	H27C	116.5°	90.0°
C26	C27	O6	H27C	117.3°	90.0°
C26	C27	C28	C29	59.1°	90.0°
C26	C27	C28	H28C	120.9°	90.0°
C27	C26	C34	H341	56.4°	90.0°
C27	C26	C34	H342	68.9°	90.0°
C27	C26	C34	H343	178.3°	90.0°
C26	C27	O6	C37	140.8°	90.0°
C34	C26	C27	C28	64.6°	90.0°
C34	C26	C27	O6	59.6°	90.0°
C34	C26	C27	H27C	179.4°	90.0°
C26	C34	H341	H342	125.3°	90.0°
C26	C34	H341	H343	125.3°	90.0°
C26	C34	H342	H343	119.0°	90.0°
H26C	C26	C27	C28	55.0°	90.0°
H26C	C26	C27	O6	179.2°	90.0°
H26C	C26	C27	H27C	59.9°	90.0°
H26C	C26	C34	H341	60.1°	90.0°
H26C	C26	C34	H342	174.6°	90.0°
H26C	C26	C34	H343	65.2°	90.0°
C28	C27	O6	H27C	115.3°	90.0°
C27	C28	C29	H28C	180.0°	90.0°
C27	C28	C29	O5	171.8°	90.0°
C27	C28	C29	H29C	8.2°	90.0°
C28	C27	O6	C37	91.8°	90.0°
O6	C27	C28	C29	178.2°	90.0°
O6	C27	C28	H28C	1.8°	90.0°
C27	O6	C37	H371	180.0°	90.0°
C27	O6	C37	H372	54.8°	90.0°
C27	O6	C37	H373	54.8°	90.0°
H27C	C27	C28	C29	57.4°	90.0°
H27C	C27	C28	H28C	122.5°	90.0°
H27C	C27	O6	C37	23.5°	90.0°
C28	C29	O5	H29C	180.0°	90.0°
H28C	C28	C29	O5	8.2°	90.0°
H28C	C28	C29	H29C	171.8°	90.0°
H301	C30	H302	H303	117.0°	90.0°
H311	C31	H312	H313	119.6°	90.0°
H321	C32	H322	H323	117.0°	90.0°
H331	C33	H332	H333	116.9°	90.0°
H341	C34	H342	H343	119.0°	90.0°
C36	C35	O7	O8	179.4°	90.0°
C35	C36	H361	H362	125.3°	90.0°
C35	C36	H361	H363	125.3°	90.0°
C35	C36	H362	H363	117.0°	90.0°
O7	C35	C36	H361	180.0°	90.0°
O7	C35	C36	H362	54.7°	90.0°
O7	C35	C36	H363	54.8°	90.0°
O8	C35	C36	H361	0.6°	90.0°
O8	C35	C36	H362	124.6°	90.0°
O8	C35	C36	H363	125.8°	90.0°
H361	C36	H362	H363	116.9°	90.0°
O6	C37	H371	H372	125.3°	90.0°
O6	C37	H371	H373	125.3°	90.0°
O6	C37	H372	H373	117.4°	90.0°
H371	C37	H372	H373	117.2°	90.0°
N4	C38	H381	H382	125.3°	90.0°
N4	C38	H381	H383	125.3°	90.0°
N4	C38	H382	H383	117.7°	90.0°
C38	N4	C39	C40	178.2°	90.0°
C38	N4	C39	C42	124.8°	90.0°
C38	N4	C39	H391	52.9°	90.0°
C38	N4	C39	H392	56.5°	90.0°
C38	N4	C42	C41	178.9°	90.0°
C38	N4	C42	H421	55.8°	90.0°
C38	N4	C42	H422	53.7°	90.0°
H381	C38	H382	H383	117.6°	90.0°
H381	C38	N4	C39	180.0°	90.0°
H381	C38	N4	C42	55.7°	90.0°
H382	C38	N4	C39	54.8°	90.0°
H382	C38	N4	C42	69.5°	90.0°
H383	C38	N4	C39	54.7°	90.0°
H383	C38	N4	C42	179.0°	90.0°
C40	C39	N4	H391	125.3°	90.0°
C40	C39	N4	H392	125.3°	90.0°
C40	C39	H391	H392	117.9°	90.0°
C39	C40	N3	H401	125.3°	90.0°
C39	C40	N3	H402	125.2°	90.0°
C39	C40	H401	H402	118.1°	90.0°
C39	C40	N3	C41	61.9°	90.0°
C40	C39	N4	C42	53.4°	90.0°
C39	C40	N3	N2	170.2°	90.0°
N4	C39	H391	H392	117.8°	90.0°
N4	C39	C40	N3	56.2°	90.0°
N4	C39	C40	H401	69.1°	90.0°
N4	C39	C40	H402	178.6°	90.0°
C39	N4	C42	C41	54.7°	90.0°
C39	N4	C42	H421	180.0°	90.0°
C39	N4	C42	H422	70.6°	90.0°
H391	C39	C40	N3	69.1°	90.0°
H391	C39	C40	H401	165.7°	90.0°
H391	C39	C40	H402	56.2°	90.0°
H391	C39	N4	C42	71.9°	90.0°
H392	C39	C40	N3	178.5°	90.0°
H392	C39	C40	H401	56.2°	90.0°
H392	C39	C40	H402	53.3°	90.0°
H392	C39	N4	C42	178.7°	90.0°
N3	C40	H401	H402	118.1°	90.0°
C40	N3	C41	C42	61.9°	90.0°
C40	N3	C41	N2	134.8°	90.0°
C40	N3	C41	H411	172.9°	90.0°
C40	N3	C41	H412	63.3°	90.0°
C40	N3	N2	C43	58.8°	90.0°
H401	C40	N3	C41	63.4°	90.0°
H401	C40	N3	N2	64.5°	90.0°
H402	C40	N3	C41	172.9°	90.0°
H402	C40	N3	N2	45.0°	90.0°
C42	C41	N3	H411	125.2°	90.0°
C42	C41	N3	H412	125.3°	90.0°
C42	C41	H411	H412	118.6°	90.0°
C41	C42	N4	H421	125.3°	90.0°
C41	C42	N4	H422	125.3°	90.0°
C41	C42	H421	H422	117.5°	90.0°
C42	C41	N3	N2	163.3°	90.0°
N3	C41	H411	H412	118.6°	90.0°
N3	C41	C42	N4	57.5°	90.0°
N3	C41	C42	H421	177.2°	90.0°
N3	C41	C42	H422	67.8°	90.0°
C41	N3	N2	C43	171.0°	90.0°
H411	C41	C42	N4	177.3°	90.0°
H411	C41	C42	H421	52.0°	90.0°
H411	C41	C42	H422	57.4°	90.0°
H411	C41	N3	N2	38.1°	90.0°
H412	C41	C42	N4	67.8°	90.0°
H412	C41	C42	H421	57.5°	90.0°
H412	C41	C42	H422	167.0°	90.0°
H412	C41	N3	N2	71.5°	90.0°
N4	C42	H421	H422	117.5°	90.0°
HC43	C43	N2	N3	13.9°	90.0°

Definition date:	2001-03-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1I6V