RPT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	0.00Å	1.52Å	Aromatic
C1	C9	sing	0.00Å	1.51Å	Aromatic
C1	O1	sing	0.00Å	1.33Å
C2	C3	sing	0.00Å	1.48Å	Aromatic
C2	N1	sing	0.00Å	1.44Å
C3	C4	doub	0.00Å	1.46Å	Aromatic
C3	C43	sing	0.00Å	1.51Å
C4	C10	sing	0.00Å	1.45Å	Aromatic
C4	O12	sing	0.00Å	1.40Å
C5	C6	doub	0.00Å	1.46Å	Aromatic
C5	C10	sing	0.00Å	1.53Å	Aromatic
C5	C11	sing	0.00Å	1.40Å
C6	C7	sing	0.00Å	1.42Å	Aromatic
C6	O3	sing	0.00Å	1.37Å
C7	C8	doub	0.00Å	1.53Å	Aromatic
C7	C14	sing	0.00Å	1.50Å
C8	C9	sing	0.00Å	1.58Å	Aromatic
C8	O2	sing	0.00Å	1.28Å
C9	C10	doub	0.00Å	1.54Å	Aromatic
C11	C12	sing	0.00Å	1.51Å
C11	O4	doub	0.00Å	1.26Å
C12	C13	sing	0.00Å	1.51Å
C12	O3	sing	0.00Å	1.48Å
C12	O5	sing	0.00Å	1.58Å
C13	H131	sing	0.00Å	1.11Å
C13	H132	sing	0.00Å	1.12Å
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	1.11Å
C15	C16	sing	0.00Å	1.52Å
C15	N1	sing	0.00Å	1.35Å
C15	O11	doub	0.00Å	1.20Å
C16	C17	doub	0.00Å	1.39Å
C16	C30	sing	0.00Å	1.49Å
C17	C18	sing	0.00Å	1.48Å
C17	H17	sing	0.00Å	1.10Å
C18	C19	doub	0.00Å	1.33Å
C18	H18	sing	0.00Å	1.10Å
C19	C20	sing	0.00Å	1.50Å
C19	H19	sing	0.00Å	1.10Å
C20	C21	sing	0.00Å	1.59Å
C20	C31	sing	0.00Å	1.57Å
C20	H20	sing	0.00Å	1.11Å
C21	C22	sing	0.00Å	1.59Å
C21	O10	sing	0.00Å	1.43Å
C21	H21	sing	0.00Å	1.11Å
C22	C23	sing	0.00Å	1.56Å
C22	C32	sing	0.00Å	1.58Å
C22	H22	sing	0.00Å	1.11Å
C23	C24	sing	0.00Å	1.58Å
C23	O9	sing	0.00Å	1.45Å
C23	H23	sing	0.00Å	1.12Å
C24	C25	sing	0.00Å	1.62Å
C24	C33	sing	0.00Å	1.56Å
C24	H24	sing	0.00Å	1.11Å
C25	C26	sing	0.00Å	1.57Å
C25	O7	sing	0.00Å	1.47Å
C25	H25	sing	0.00Å	1.11Å
C26	C27	sing	0.00Å	1.59Å
C26	C34	sing	0.00Å	1.52Å
C26	H26	sing	0.00Å	1.11Å
C27	C28	sing	0.00Å	1.59Å
C27	O6	sing	0.00Å	1.55Å
C27	H27	sing	0.00Å	1.12Å
C28	C29	doub	0.00Å	1.36Å
C28	H28	sing	0.00Å	1.10Å
C29	O5	sing	0.00Å	1.54Å
C29	H29	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	1.12Å
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	1.11Å
C33	H331	sing	0.00Å	1.11Å
C33	H332	sing	0.00Å	1.12Å
C33	H333	sing	0.00Å	1.11Å
C34	H341	sing	0.00Å	1.11Å
C34	H342	sing	0.00Å	1.11Å
C34	H343	sing	0.00Å	1.12Å
C35	C36	sing	0.00Å	1.46Å
C35	O7	sing	0.00Å	1.39Å
C35	O8	doub	0.00Å	1.19Å
C36	H361	sing	0.00Å	1.11Å
C36	H362	sing	0.00Å	1.11Å
C36	H363	sing	0.00Å	1.12Å
C37	O6	sing	0.00Å	1.48Å
C37	H371	sing	0.00Å	1.11Å
C37	H372	sing	0.00Å	1.11Å
C37	H373	sing	0.00Å	1.11Å
C38	C44	sing	0.00Å	1.53Å
C38	C45	sing	0.00Å	1.55Å
C38	N4	sing	0.00Å	1.60Å
C38	H38	sing	0.00Å	1.12Å
C39	C40	sing	0.00Å	1.53Å
C39	N4	sing	0.00Å	1.59Å
C39	H391	sing	0.00Å	1.11Å
C39	H392	sing	0.00Å	1.11Å
C40	N3	sing	0.00Å	1.54Å
C40	H401	sing	0.00Å	1.12Å
C40	H402	sing	0.00Å	1.11Å
C41	C42	sing	0.00Å	1.53Å
C41	N3	sing	0.00Å	1.51Å
C41	H411	sing	0.00Å	1.12Å
C41	H412	sing	0.00Å	1.12Å
C42	N4	sing	0.00Å	1.59Å
C42	H421	sing	0.00Å	1.12Å
C42	H422	sing	0.00Å	1.12Å
C43	N2	doub	0.00Å	1.28Å
C43	H43	sing	0.00Å	1.10Å
C44	C46	sing	0.00Å	1.50Å
C44	H441	sing	0.00Å	1.11Å
C44	H442	sing	0.00Å	1.11Å
C45	C47	sing	0.00Å	1.56Å
C45	H451	sing	0.00Å	1.12Å
C45	H452	sing	0.00Å	1.11Å
C46	C47	sing	0.00Å	1.52Å
C46	H461	sing	0.00Å	1.11Å
C46	H462	sing	0.00Å	1.12Å
C47	H471	sing	0.00Å	1.12Å
C47	H472	sing	0.00Å	1.11Å
N1	HN1	sing	0.00Å	1.02Å
N2	N3	sing	0.00Å	1.43Å
O1	HO1	sing	0.00Å	0.95Å
O2	HO2	sing	0.00Å	0.95Å
O9	HO9	sing	0.00Å	0.95Å
O10	H10	sing	0.00Å	0.95Å
O12	H12	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C9	118.3°	90.0°
C2	C1	O1	120.9°	90.0°
C1	C2	C3	120.6°	90.0°
C1	C2	N1	123.5°	90.0°
C9	C1	O1	120.7°	90.0°
C1	C9	C8	120.9°	90.0°
C1	C9	C10	119.0°	90.0°
C1	O1	HO1	121.0°	90.0°
C3	C2	N1	115.9°	90.0°
C2	C3	C4	120.0°	90.0°
C2	C3	C43	124.8°	90.0°
C2	N1	C15	133.1°	90.0°
C2	N1	HN1	117.7°	90.0°
C4	C3	C43	115.2°	90.0°
C3	C4	C10	122.2°	90.0°
C3	C4	O12	114.9°	90.0°
C3	C43	N2	123.7°	90.0°
C3	C43	H43	126.7°	90.0°
C10	C4	O12	122.9°	90.0°
C4	C10	C5	124.0°	90.0°
C4	C10	C9	119.7°	90.0°
C4	O12	H12	114.9°	90.0°
C6	C5	C10	120.1°	90.0°
C6	C5	C11	106.6°	90.0°
C5	C6	C7	127.1°	90.0°
C5	C6	O3	111.2°	90.0°
C10	C5	C11	133.3°	90.0°
C5	C10	C9	116.2°	90.0°
C5	C11	C12	108.8°	90.0°
C5	C11	O4	132.3°	90.0°
C7	C6	O3	121.7°	90.0°
C6	C7	C8	116.7°	90.0°
C6	C7	C14	124.0°	90.0°
C6	O3	C12	108.3°	90.0°
C8	C7	C14	119.3°	90.0°
C7	C8	C9	119.5°	90.0°
C7	C8	O2	120.6°	90.0°
C7	C14	H141	124.0°	90.0°
C7	C14	H142	107.0°	90.0°
C7	C14	H143	107.0°	90.0°
C9	C8	O2	119.9°	90.0°
C8	C9	C10	120.1°	90.0°
C8	O2	HO2	120.6°	90.0°
C12	C11	O4	118.9°	90.0°
C11	C12	C13	113.8°	90.0°
C11	C12	O3	104.6°	90.0°
C11	C12	O5	110.6°	90.0°
C13	C12	O3	110.6°	90.0°
C13	C12	O5	107.6°	90.0°
C12	C13	H131	113.7°	90.0°
C12	C13	H132	110.6°	90.0°
C12	C13	H133	110.6°	90.0°
O3	C12	O5	109.6°	90.0°
C12	O5	C29	121.7°	90.0°
H131	C13	H132	110.7°	90.0°
H131	C13	H133	110.7°	90.0°
H132	C13	H133	99.7°	90.0°
H141	C14	H142	107.1°	90.0°
H141	C14	H143	107.1°	90.0°
H142	C14	H143	102.7°	90.0°
C16	C15	N1	111.9°	90.0°
C16	C15	O11	120.9°	90.0°
C15	C16	C17	125.9°	90.0°
C15	C16	C30	112.6°	90.0°
N1	C15	O11	127.2°	90.0°
C15	N1	HN1	109.2°	90.0°
C17	C16	C30	121.5°	90.0°
C16	C17	C18	131.3°	90.0°
C16	C17	H17	110.3°	90.0°
C16	C30	H301	112.6°	90.0°
C16	C30	H302	111.1°	90.0°
C16	C30	H303	111.1°	90.0°
C18	C17	H17	118.4°	90.0°
C17	C18	C19	122.5°	90.0°
C17	C18	H18	124.3°	90.0°
C19	C18	H18	113.3°	90.0°
C18	C19	C20	128.6°	90.0°
C18	C19	H19	108.5°	90.0°
C20	C19	H19	122.9°	90.0°
C19	C20	C21	112.4°	90.0°
C19	C20	C31	103.0°	90.0°
C19	C20	H20	114.3°	90.0°
C21	C20	C31	115.9°	90.0°
C21	C20	H20	101.1°	90.0°
C20	C21	C22	121.6°	90.0°
C20	C21	O10	104.7°	90.0°
C20	C21	H21	105.1°	90.0°
C31	C20	H20	110.7°	90.0°
C20	C31	H311	103.0°	90.0°
C20	C31	H312	114.7°	90.0°
C20	C31	H313	114.6°	90.0°
C22	C21	O10	111.0°	90.0°
C22	C21	H21	98.0°	90.0°
C21	C22	C23	115.6°	90.0°
C21	C22	C32	112.6°	90.0°
C21	C22	H22	102.0°	90.0°
O10	C21	H21	117.0°	90.0°
C21	O10	H10	104.7°	90.0°
C23	C22	C32	107.0°	90.0°
C23	C22	H22	108.2°	90.0°
C22	C23	C24	121.7°	90.0°
C22	C23	O9	109.9°	90.0°
C22	C23	H23	99.1°	90.0°
C32	C22	H22	111.5°	90.0°
C22	C32	H321	112.6°	90.0°
C22	C32	H322	111.1°	90.0°
C22	C32	H323	111.1°	90.0°
C24	C23	O9	105.9°	90.0°
C24	C23	H23	103.8°	90.0°
C23	C24	C25	109.9°	90.0°
C23	C24	C33	112.7°	90.0°
C23	C24	H24	107.6°	90.0°
O9	C23	H23	117.1°	90.0°
C23	O9	HO9	109.9°	90.0°
C25	C24	C33	111.3°	90.0°
C25	C24	H24	109.1°	90.0°
C24	C25	C26	117.3°	90.0°
C24	C25	O7	109.9°	90.0°
C24	C25	H25	103.9°	90.0°
C33	C24	H24	106.0°	90.0°
C24	C33	H331	112.7°	90.0°
C24	C33	H332	111.0°	90.0°
C24	C33	H333	111.0°	90.0°
C26	C25	O7	110.7°	90.0°
C26	C25	H25	103.0°	90.0°
C25	C26	C27	114.8°	90.0°
C25	C26	C34	106.0°	90.0°
C25	C26	H26	108.7°	90.0°
O7	C25	H25	111.6°	90.0°
C25	O7	C35	121.8°	90.0°
C27	C26	C34	110.7°	90.0°
C27	C26	H26	103.9°	90.0°
C26	C27	C28	114.8°	90.0°
C26	C27	O6	105.1°	90.0°
C26	C27	H27	110.2°	90.0°
C34	C26	H26	113.0°	90.0°
C26	C34	H341	106.0°	90.0°
C26	C34	H342	113.5°	90.0°
C26	C34	H343	113.5°	90.0°
C28	C27	O6	112.9°	90.0°
C28	C27	H27	101.9°	90.0°
C27	C28	C29	126.3°	90.0°
C27	C28	H28	125.6°	90.0°
O6	C27	H27	112.2°	90.0°
C27	O6	C37	116.2°	90.0°
C29	C28	H28	108.1°	90.0°
C28	C29	O5	123.2°	90.0°
C28	C29	H29	111.7°	90.0°
O5	C29	H29	125.1°	90.0°
H301	C30	H302	111.0°	90.0°
H301	C30	H303	111.1°	90.0°
H302	C30	H303	99.3°	90.0°
H311	C31	H312	114.7°	90.0°
H311	C31	H313	114.6°	90.0°
H312	C31	H313	95.8°	90.0°
H321	C32	H322	111.0°	90.0°
H321	C32	H323	111.1°	90.0°
H322	C32	H323	99.2°	90.0°
H331	C33	H332	111.0°	90.0°
H331	C33	H333	111.1°	90.0°
H332	C33	H333	99.3°	90.0°
H341	C34	H342	113.6°	90.0°
H341	C34	H343	113.5°	90.0°
H342	C34	H343	96.9°	90.0°
C36	C35	O7	111.7°	90.0°
C36	C35	O8	125.0°	90.0°
C35	C36	H361	111.7°	90.0°
C35	C36	H362	111.4°	90.0°
C35	C36	H363	111.4°	90.0°
O7	C35	O8	123.3°	90.0°
H361	C36	H362	111.5°	90.0°
H361	C36	H363	111.3°	90.0°
H362	C36	H363	99.0°	90.0°
O6	C37	H371	116.1°	90.0°
O6	C37	H372	109.8°	90.0°
O6	C37	H373	109.8°	90.0°
H371	C37	H372	109.8°	90.0°
H371	C37	H373	109.8°	90.0°
H372	C37	H373	100.5°	90.0°
C44	C38	C45	102.9°	90.0°
C44	C38	N4	117.4°	90.0°
C44	C38	H38	112.2°	90.0°
C38	C44	C46	100.9°	90.0°
C38	C44	H441	115.5°	90.0°
C38	C44	H442	115.5°	90.0°
C45	C38	N4	117.9°	90.0°
C45	C38	H38	111.7°	90.0°
C38	C45	C47	104.6°	90.0°
C38	C45	H451	114.0°	90.0°
C38	C45	H452	114.1°	90.0°
N4	C38	H38	95.0°	90.0°
C38	N4	C39	115.1°	90.0°
C38	N4	C42	113.7°	90.0°
C40	C39	N4	109.8°	90.0°
C40	C39	H391	112.1°	90.0°
C40	C39	H392	112.1°	90.0°
C39	C40	N3	109.0°	90.0°
C39	C40	H401	112.4°	90.0°
C39	C40	H402	112.4°	90.0°
N4	C39	H391	112.1°	90.0°
N4	C39	H392	112.1°	90.0°
C39	N4	C42	112.2°	90.0°
H391	C39	H392	98.3°	90.0°
N3	C40	H401	112.3°	90.0°
N3	C40	H402	112.4°	90.0°
C40	N3	C41	114.8°	90.0°
C40	N3	N2	120.7°	90.0°
H401	C40	H402	98.1°	90.0°
C42	C41	N3	108.6°	90.0°
C42	C41	H411	112.5°	90.0°
C42	C41	H412	112.5°	90.0°
C41	C42	N4	110.7°	90.0°
C41	C42	H421	111.8°	90.0°
C41	C42	H422	111.8°	90.0°
N3	C41	H411	112.6°	90.0°
N3	C41	H412	112.6°	90.0°
C41	N3	N2	104.7°	90.0°
H411	C41	H412	97.9°	90.0°
N4	C42	H421	111.7°	90.0°
N4	C42	H422	111.8°	90.0°
H421	C42	H422	98.6°	90.0°
N2	C43	H43	109.6°	90.0°
C43	N2	N3	120.7°	90.0°
C46	C44	H441	115.5°	90.0°
C46	C44	H442	115.4°	90.0°
C44	C46	C47	102.4°	90.0°
C44	C46	H461	114.9°	90.0°
C44	C46	H462	114.9°	90.0°
H441	C44	H442	95.0°	90.0°
C47	C45	H451	114.0°	90.0°
C47	C45	H452	114.1°	90.0°
C45	C47	C46	104.5°	90.0°
C45	C47	H471	114.1°	90.0°
C45	C47	H472	114.1°	90.0°
H451	C45	H452	96.4°	90.0°
C47	C46	H461	114.9°	90.0°
C47	C46	H462	114.9°	90.0°
C46	C47	H471	114.1°	90.0°
C46	C47	H472	114.1°	90.0°
H461	C46	H462	95.5°	90.0°
H471	C47	H472	96.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C9	O1	178.2°	90.0°
C1	C2	C3	N1	178.1°	90.0°
C1	C2	C3	C4	6.6°	90.0°
C1	C2	C3	C43	169.3°	90.0°
C2	C1	C9	C8	178.6°	90.0°
C2	C1	C9	C10	2.5°	90.0°
C1	C2	N1	C15	30.0°	90.0°
C1	C2	N1	HN1	149.9°	90.0°
C2	C1	O1	HO1	180.0°	90.0°
C9	C1	C2	C3	5.6°	90.0°
C9	C1	C2	N1	176.4°	90.0°
C1	C9	C10	C4	0.4°	90.0°
C1	C9	C10	C5	177.5°	90.0°
C1	C9	C8	C7	174.8°	90.0°
C1	C9	C8	C10	178.9°	90.0°
C1	C9	C8	O2	5.0°	90.0°
C9	C1	O1	HO1	1.9°	90.0°
O1	C1	C2	C3	172.6°	90.0°
O1	C1	C2	N1	5.4°	90.0°
O1	C1	C9	C8	3.2°	90.0°
O1	C1	C9	C10	175.7°	90.0°
C2	C3	C4	C43	176.3°	90.0°
C2	C3	C4	C10	4.5°	90.0°
C2	C3	C4	O12	177.4°	90.0°
C3	C2	N1	C15	151.9°	90.0°
C2	C3	C43	N2	2.6°	90.0°
C2	C3	C43	H43	177.4°	90.0°
C3	C2	N1	HN1	28.1°	90.0°
N1	C2	C3	C4	175.3°	90.0°
N1	C2	C3	C43	8.8°	90.0°
C2	N1	C15	C16	174.3°	90.0°
C2	N1	C15	HN1	180.0°	90.0°
C2	N1	C15	O11	5.3°	90.0°
C3	C4	C10	O12	178.0°	90.0°
C3	C4	C10	C5	176.4°	90.0°
C3	C4	C10	C9	1.3°	90.0°
C4	C3	C43	N2	178.7°	90.0°
C4	C3	C43	H43	1.3°	90.0°
C3	C4	O12	H12	180.0°	90.0°
C43	C3	C4	C10	171.8°	90.0°
C43	C3	C4	O12	6.3°	90.0°
C3	C43	N2	H43	180.0°	90.0°
C3	C43	N2	N3	178.8°	90.0°
C4	C10	C5	C6	174.6°	90.0°
C4	C10	C5	C9	177.8°	90.0°
C4	C10	C5	C11	3.7°	90.0°
C4	C10	C9	C8	179.3°	90.0°
C10	C4	O12	H12	1.9°	90.0°
O12	C4	C10	C5	1.6°	90.0°
O12	C4	C10	C9	179.3°	90.0°
C6	C5	C10	C11	178.3°	90.0°
C5	C6	C7	O3	179.3°	90.0°
C5	C6	C7	C8	2.8°	90.0°
C5	C6	C7	C14	177.5°	90.0°
C6	C5	C10	C9	3.2°	90.0°
C6	C5	C11	C12	7.2°	90.0°
C6	C5	C11	O4	176.0°	90.0°
C5	C6	O3	C12	0.6°	90.0°
C10	C5	C6	C7	5.7°	90.0°
C10	C5	C6	O3	173.7°	90.0°
C5	C10	C9	C8	1.4°	90.0°
C10	C5	C11	C12	171.3°	90.0°
C10	C5	C11	O4	5.6°	90.0°
C11	C5	C6	C7	175.6°	90.0°
C11	C5	C6	O3	5.0°	90.0°
C11	C5	C10	C9	178.5°	90.0°
C5	C11	C12	O4	177.3°	90.0°
C5	C11	C12	C13	127.6°	90.0°
C5	C11	C12	O3	6.9°	90.0°
C5	C11	C12	O5	111.1°	90.0°
C6	C7	C8	C14	179.8°	90.0°
C6	C7	C8	C9	2.2°	90.0°
C6	C7	C8	O2	178.0°	90.0°
C7	C6	O3	C12	180.0°	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	176.5°	90.0°
O3	C6	C7	C14	3.2°	90.0°
C6	O3	C12	C11	3.7°	90.0°
C6	O3	C12	C13	126.6°	90.0°
C6	O3	C12	O5	114.9°	90.0°
C7	C8	C9	O2	179.8°	90.0°
C7	C8	C9	C10	4.2°	90.0°
C8	C7	C14	H141	0.2°	90.0°
C8	C7	C14	H142	125.5°	90.0°
C8	C7	C14	H143	125.0°	90.0°
C7	C8	O2	HO2	180.0°	90.0°
C14	C7	C8	C9	177.6°	90.0°
C14	C7	C8	O2	2.2°	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	0.2°	90.0°
O2	C8	C9	C10	176.0°	90.0°
C11	C12	C13	O3	117.3°	90.0°
C11	C12	C13	O5	123.0°	90.0°
C11	C12	O3	O5	118.6°	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	32.1°	90.0°
O4	C11	C12	C13	55.1°	90.0°
O4	C11	C12	O3	175.8°	90.0°
O4	C11	C12	O5	66.2°	90.0°
C13	C12	O3	O5	118.5°	90.0°
C12	C13	H131	H132	125.2°	90.0°
C12	C13	H131	H133	125.2°	90.0°
C12	C13	H132	H133	116.4°	90.0°
C13	C12	O5	C29	157.0°	90.0°
O3	C12	C13	H131	62.7°	90.0°
O3	C12	C13	H132	62.6°	90.0°
O3	C12	C13	H133	172.0°	90.0°
O3	C12	O5	C29	82.7°	90.0°
O5	C12	C13	H131	57.0°	90.0°
O5	C12	C13	H132	177.7°	90.0°
O5	C12	C13	H133	68.2°	90.0°
C12	O5	C29	C28	84.8°	90.0°
C12	O5	C29	H29	95.2°	90.0°
H131	C13	H132	H133	116.6°	90.0°
H141	C14	H142	H143	112.6°	90.0°
C16	C15	N1	O11	179.6°	90.0°
C15	C16	C17	C30	179.6°	90.0°
C15	C16	C17	C18	0.7°	90.0°
C15	C16	C17	H17	179.3°	90.0°
C15	C16	C30	H301	180.0°	90.0°
C15	C16	C30	H302	54.8°	90.0°
C15	C16	C30	H303	54.8°	90.0°
C16	C15	N1	HN1	5.7°	90.0°
N1	C15	C16	C17	72.8°	90.0°
N1	C15	C16	C30	106.8°	90.0°
O11	C15	C16	C17	107.5°	90.0°
O11	C15	C16	C30	72.8°	90.0°
O11	C15	N1	HN1	174.6°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	C19	114.0°	90.0°
C16	C17	C18	H18	66.0°	90.0°
C17	C16	C30	H301	0.3°	90.0°
C17	C16	C30	H302	124.9°	90.0°
C17	C16	C30	H303	125.6°	90.0°
C30	C16	C17	C18	178.9°	90.0°
C30	C16	C17	H17	1.1°	90.0°
C16	C30	H301	H302	125.3°	90.0°
C16	C30	H301	H303	125.3°	90.0°
C16	C30	H302	H303	117.0°	90.0°
C17	C18	C19	H18	180.0°	90.0°
C17	C18	C19	C20	179.8°	90.0°
C17	C18	C19	H19	0.2°	90.0°
H17	C17	C18	C19	66.0°	90.0°
H17	C17	C18	H18	114.0°	90.0°
C18	C19	C20	H19	179.9°	90.0°
C18	C19	C20	C21	86.3°	90.0°
C18	C19	C20	C31	148.3°	90.0°
C18	C19	C20	H20	28.2°	90.0°
H18	C18	C19	C20	0.2°	90.0°
H18	C18	C19	H19	179.7°	90.0°
C19	C20	C21	C31	118.0°	90.0°
C19	C20	C21	H20	122.3°	90.0°
C19	C20	C31	H20	122.6°	90.0°
C19	C20	C21	C22	150.7°	90.0°
C19	C20	C21	O10	82.7°	90.0°
C19	C20	C21	H21	41.2°	90.0°
C19	C20	C31	H311	180.0°	90.0°
C19	C20	C31	H312	54.7°	90.0°
C19	C20	C31	H313	54.8°	90.0°
H19	C19	C20	C21	93.7°	90.0°
H19	C19	C20	C31	31.7°	90.0°
H19	C19	C20	H20	151.8°	90.0°
C21	C20	C31	H20	114.3°	90.0°
C20	C21	C22	O10	123.7°	90.0°
C20	C21	C22	H21	113.2°	90.0°
C20	C21	O10	H21	115.8°	90.0°
C20	C21	C22	C23	178.8°	90.0°
C20	C21	C22	C32	57.8°	90.0°
C20	C21	C22	H22	61.7°	90.0°
C21	C20	C31	H311	56.9°	90.0°
C21	C20	C31	H312	68.4°	90.0°
C21	C20	C31	H313	177.8°	90.0°
C20	C21	O10	H10	180.0°	90.0°
C31	C20	C21	C22	32.7°	90.0°
C31	C20	C21	O10	159.3°	90.0°
C31	C20	C21	H21	76.9°	90.0°
C20	C31	H311	H312	125.3°	90.0°
C20	C31	H311	H313	125.2°	90.0°
C20	C31	H312	H313	120.5°	90.0°
H20	C20	C21	C22	87.0°	90.0°
H20	C20	C21	O10	39.6°	90.0°
H20	C20	C21	H21	163.5°	90.0°
H20	C20	C31	H311	57.3°	90.0°
H20	C20	C31	H312	177.3°	90.0°
H20	C20	C31	H313	67.9°	90.0°
C22	C21	O10	H21	111.3°	90.0°
C21	C22	C23	C32	126.3°	90.0°
C21	C22	C23	H22	113.5°	90.0°
C21	C22	C32	H22	113.9°	90.0°
C21	C22	C23	C24	59.7°	90.0°
C21	C22	C23	O9	64.6°	90.0°
C21	C22	C23	H23	172.2°	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	H10	47.1°	90.0°
O10	C21	C22	C23	57.4°	90.0°
O10	C21	C22	C32	65.9°	90.0°
O10	C21	C22	H22	174.5°	90.0°
H21	C21	C22	C23	65.6°	90.0°
H21	C21	C22	C32	171.0°	90.0°
H21	C21	C22	H22	51.5°	90.0°
H21	C21	O10	H10	64.2°	90.0°
C23	C22	C32	H22	118.1°	90.0°
C22	C23	C24	O9	126.2°	90.0°
C22	C23	C24	H23	110.0°	90.0°
C22	C23	O9	H23	111.9°	90.0°
C22	C23	C24	C25	179.1°	90.0°
C22	C23	C24	C33	56.1°	90.0°
C22	C23	C24	H24	60.5°	90.0°
C23	C22	C32	H321	52.0°	90.0°
C23	C22	C32	H322	177.2°	90.0°
C23	C22	C32	H323	73.3°	90.0°
C22	C23	O9	HO9	180.0°	90.0°
C32	C22	C23	C24	174.0°	90.0°
C32	C22	C23	O9	61.6°	90.0°
C32	C22	C23	H23	61.6°	90.0°
C22	C32	H321	H322	125.3°	90.0°
C22	C32	H321	H323	125.3°	90.0°
C22	C32	H322	H323	117.0°	90.0°
H22	C22	C23	C24	53.8°	90.0°
H22	C22	C23	O9	178.2°	90.0°
H22	C22	C23	H23	58.6°	90.0°
H22	C22	C32	H321	66.1°	90.0°
H22	C22	C32	H322	59.1°	90.0°
H22	C22	C32	H323	168.6°	90.0°
C24	C23	O9	H23	115.0°	90.0°
C23	C24	C25	C33	125.6°	90.0°
C23	C24	C25	H24	117.7°	90.0°
C23	C24	C33	H24	117.4°	90.0°
C23	C24	C25	C26	140.2°	90.0°
C23	C24	C25	O7	92.2°	90.0°
C23	C24	C25	H25	27.3°	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	47.0°	90.0°
O9	C23	C24	C25	52.9°	90.0°
O9	C23	C24	C33	177.7°	90.0°
O9	C23	C24	H24	65.7°	90.0°
H23	C23	C24	C25	70.9°	90.0°
H23	C23	C24	C33	53.9°	90.0°
H23	C23	C24	H24	170.5°	90.0°
H23	C23	O9	HO9	68.1°	90.0°
C25	C24	C33	H24	118.5°	90.0°
C24	C25	C26	O7	127.2°	90.0°
C24	C25	C26	H25	113.4°	90.0°
C24	C25	O7	H25	114.7°	90.0°
C24	C25	C26	C27	177.2°	90.0°
C24	C25	C26	C34	60.3°	90.0°
C24	C25	C26	H26	61.4°	90.0°
C25	C24	C33	H331	56.0°	90.0°
C25	C24	C33	H332	178.7°	90.0°
C25	C24	C33	H333	69.3°	90.0°
C24	C25	O7	C35	105.7°	90.0°
C33	C24	C25	C26	94.2°	90.0°
C33	C24	C25	O7	33.4°	90.0°
C33	C24	C25	H25	152.9°	90.0°
C24	C33	H331	H332	125.3°	90.0°
C24	C33	H331	H333	125.3°	90.0°
C24	C33	H332	H333	116.9°	90.0°
H24	C24	C25	C26	22.5°	90.0°
H24	C24	C25	O7	150.0°	90.0°
H24	C24	C25	H25	90.5°	90.0°
H24	C24	C33	H331	62.5°	90.0°
H24	C24	C33	H332	62.7°	90.0°
H24	C24	C33	H333	172.1°	90.0°
C26	C25	O7	H25	114.1°	90.0°
C25	C26	C27	C34	119.9°	90.0°
C25	C26	C27	H26	118.5°	90.0°
C25	C26	C34	H26	118.9°	90.0°
C25	C26	C27	C28	179.8°	90.0°
C25	C26	C27	O6	55.6°	90.0°
C25	C26	C27	H27	65.5°	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	123.1°	90.0°
O7	C25	C26	C27	50.0°	90.0°
O7	C25	C26	C34	172.5°	90.0°
O7	C25	C26	H26	65.8°	90.0°
C25	O7	C35	C36	178.5°	90.0°
C25	O7	C35	O8	1.8°	90.0°
H25	C25	C26	C27	69.4°	90.0°
H25	C25	C26	C34	53.1°	90.0°
H25	C25	C26	H26	174.8°	90.0°
H25	C25	O7	C35	9.0°	90.0°
C27	C26	C34	H26	116.0°	90.0°
C26	C27	C28	O6	120.4°	90.0°
C26	C27	C28	H27	119.0°	90.0°
C26	C27	O6	H27	119.7°	90.0°
C26	C27	C28	C29	73.1°	90.0°
C26	C27	C28	H28	106.9°	90.0°
C27	C26	C34	H341	55.0°	90.0°
C27	C26	C34	H342	70.3°	90.0°
C27	C26	C34	H343	179.8°	90.0°
C26	C27	O6	C37	155.0°	90.0°
C34	C26	C27	C28	60.3°	90.0°
C34	C26	C27	O6	64.3°	90.0°
C34	C26	C27	H27	174.6°	90.0°
C26	C34	H341	H342	125.3°	90.0°
C26	C34	H341	H343	125.2°	90.0°
C26	C34	H342	H343	119.4°	90.0°
H26	C26	C27	C28	61.2°	90.0°
H26	C26	C27	O6	174.1°	90.0°
H26	C26	C27	H27	53.1°	90.0°
H26	C26	C34	H341	61.0°	90.0°
H26	C26	C34	H342	173.6°	90.0°
H26	C26	C34	H343	64.2°	90.0°
C28	C27	O6	H27	114.5°	90.0°
C27	C28	C29	H28	180.0°	90.0°
C27	C28	C29	O5	178.1°	90.0°
C27	C28	C29	H29	1.9°	90.0°
C28	C27	O6	C37	29.2°	90.0°
O6	C27	C28	C29	166.5°	90.0°
O6	C27	C28	H28	13.5°	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°
H27	C27	C28	C29	46.0°	90.0°
H27	C27	C28	H28	134.1°	90.0°
H27	C27	O6	C37	85.3°	90.0°
C28	C29	O5	H29	180.0°	90.0°
H28	C28	C29	O5	1.9°	90.0°
H28	C28	C29	H29	178.1°	90.0°
H301	C30	H302	H303	116.9°	90.0°
H311	C31	H312	H313	120.5°	90.0°
H321	C32	H322	H323	116.9°	90.0°
H331	C33	H332	H333	116.9°	90.0°
H341	C34	H342	H343	119.4°	90.0°
C36	C35	O7	O8	179.7°	90.0°
C35	C36	H361	H362	125.3°	90.0°
C35	C36	H361	H363	125.2°	90.0°
C35	C36	H362	H363	117.3°	90.0°
O7	C35	C36	H361	179.9°	90.0°
O7	C35	C36	H362	54.7°	90.0°
O7	C35	C36	H363	54.8°	90.0°
O8	C35	C36	H361	0.2°	90.0°
O8	C35	C36	H362	125.6°	90.0°
O8	C35	C36	H363	125.0°	90.0°
H361	C36	H362	H363	117.3°	90.0°
O6	C37	H371	H372	125.2°	90.0°
O6	C37	H371	H373	125.2°	90.0°
O6	C37	H372	H373	115.6°	90.0°
H371	C37	H372	H373	115.6°	90.0°
C44	C38	C45	N4	131.0°	90.0°
C44	C38	C45	H38	120.6°	90.0°
C44	C38	N4	H38	118.2°	90.0°
C44	C38	N4	C39	21.8°	90.0°
C44	C38	N4	C42	153.2°	90.0°
C38	C44	C46	H441	125.3°	90.0°
C38	C44	C46	H442	125.3°	90.0°
C38	C44	H441	H442	121.3°	90.0°
C44	C38	C45	C47	21.6°	90.0°
C44	C38	C45	H451	146.9°	90.0°
C44	C38	C45	H452	103.7°	90.0°
C38	C44	C46	C47	49.4°	90.0°
C38	C44	C46	H461	174.7°	90.0°
C38	C44	C46	H462	75.9°	90.0°
C45	C38	N4	H38	117.8°	90.0°
C45	C38	N4	C39	102.2°	90.0°
C45	C38	N4	C42	29.3°	90.0°
C45	C38	C44	C46	43.8°	90.0°
C45	C38	C44	H441	81.5°	90.0°
C45	C38	C44	H442	169.0°	90.0°
C38	C45	C47	H451	125.3°	90.0°
C38	C45	C47	H452	125.3°	90.0°
C38	C45	H451	H452	119.9°	90.0°
C38	C45	C47	C46	8.1°	90.0°
C38	C45	C47	H471	133.4°	90.0°
C38	C45	C47	H472	117.3°	90.0°
C38	N4	C39	C40	174.8°	90.0°
C38	N4	C39	C42	132.2°	90.0°
C38	N4	C39	H391	59.9°	90.0°
C38	N4	C39	H392	49.6°	90.0°
C38	N4	C42	C41	173.7°	90.0°
C38	N4	C42	H421	48.4°	90.0°
C38	N4	C42	H422	61.0°	90.0°
N4	C38	C44	C46	175.0°	90.0°
N4	C38	C44	H441	49.8°	90.0°
N4	C38	C44	H442	59.7°	90.0°
N4	C38	C45	C47	152.6°	90.0°
N4	C38	C45	H451	82.1°	90.0°
N4	C38	C45	H452	27.3°	90.0°
H38	C38	N4	C39	140.0°	90.0°
H38	C38	N4	C42	88.5°	90.0°
H38	C38	C44	C46	76.5°	90.0°
H38	C38	C44	H441	158.3°	90.0°
H38	C38	C44	H442	48.8°	90.0°
H38	C38	C45	C47	99.0°	90.0°
H38	C38	C45	H451	26.3°	90.0°
H38	C38	C45	H452	135.7°	90.0°
C40	C39	N4	H391	125.3°	90.0°
C40	C39	N4	H392	125.3°	90.0°
C40	C39	H391	H392	118.0°	90.0°
C39	C40	N3	H401	125.2°	90.0°
C39	C40	N3	H402	125.3°	90.0°
C39	C40	H401	H402	118.3°	90.0°
C39	C40	N3	C41	61.2°	90.0°
C40	C39	N4	C42	53.0°	90.0°
C39	C40	N3	N2	172.0°	90.0°
N4	C39	H391	H392	118.0°	90.0°
N4	C39	C40	N3	54.3°	90.0°
N4	C39	C40	H401	70.9°	90.0°
N4	C39	C40	H402	179.6°	90.0°
C39	N4	C42	C41	53.5°	90.0°
C39	N4	C42	H421	178.8°	90.0°
C39	N4	C42	H422	71.8°	90.0°
H391	C39	C40	N3	70.9°	90.0°
H391	C39	C40	H401	163.9°	90.0°
H391	C39	C40	H402	54.4°	90.0°
H391	C39	N4	C42	72.3°	90.0°
H392	C39	C40	N3	179.6°	90.0°
H392	C39	C40	H401	54.4°	90.0°
H392	C39	C40	H402	55.1°	90.0°
H392	C39	N4	C42	178.3°	90.0°
N3	C40	H401	H402	118.3°	90.0°
C40	N3	C41	C42	61.0°	90.0°
C40	N3	C41	N2	134.6°	90.0°
C40	N3	C41	H411	173.7°	90.0°
C40	N3	C41	H412	64.3°	90.0°
C40	N3	N2	C43	53.4°	90.0°
H401	C40	N3	C41	64.0°	90.0°
H401	C40	N3	N2	62.8°	90.0°
H402	C40	N3	C41	173.5°	90.0°
H402	C40	N3	N2	46.7°	90.0°
C42	C41	N3	H411	125.3°	90.0°
C42	C41	N3	H412	125.3°	90.0°
C42	C41	H411	H412	118.4°	90.0°
C41	C42	N4	H421	125.3°	90.0°
C41	C42	N4	H422	125.3°	90.0°
C41	C42	H421	H422	117.6°	90.0°
C42	C41	N3	N2	164.4°	90.0°
N3	C41	H411	H412	118.5°	90.0°
N3	C41	C42	N4	55.1°	90.0°
N3	C41	C42	H421	179.7°	90.0°
N3	C41	C42	H422	70.2°	90.0°
C41	N3	N2	C43	175.3°	90.0°
H411	C41	C42	N4	179.6°	90.0°
H411	C41	C42	H421	54.4°	90.0°
H411	C41	C42	H422	55.0°	90.0°
H411	C41	N3	N2	39.1°	90.0°
H412	C41	C42	N4	70.3°	90.0°
H412	C41	C42	H421	55.0°	90.0°
H412	C41	C42	H422	164.4°	90.0°
H412	C41	N3	N2	70.4°	90.0°
N4	C42	H421	H422	117.7°	90.0°
H43	C43	N2	N3	1.2°	90.0°
C46	C44	H441	H442	121.3°	90.0°
C44	C46	C47	C45	35.6°	90.0°
C44	C46	C47	H461	125.3°	90.0°
C44	C46	C47	H462	125.3°	90.0°
C44	C46	H461	H462	120.8°	90.0°
C44	C46	C47	H471	160.8°	90.0°
C44	C46	C47	H472	89.7°	90.0°
H441	C44	C46	C47	75.9°	90.0°
H441	C44	C46	H461	49.4°	90.0°
H441	C44	C46	H462	158.8°	90.0°
H442	C44	C46	C47	174.6°	90.0°
H442	C44	C46	H461	60.1°	90.0°
H442	C44	C46	H462	49.4°	90.0°
C47	C45	H451	H452	119.9°	90.0°
C45	C47	C46	H471	125.3°	90.0°
C45	C47	C46	H472	125.3°	90.0°
C45	C47	C46	H461	160.9°	90.0°
C45	C47	C46	H462	89.7°	90.0°
C45	C47	H471	H472	120.0°	90.0°
H451	C45	C47	C46	117.2°	90.0°
H451	C45	C47	H471	8.1°	90.0°
H451	C45	C47	H472	117.5°	90.0°
H452	C45	C47	C46	133.4°	90.0°
H452	C45	C47	H471	101.3°	90.0°
H452	C45	C47	H472	8.1°	90.0°
C47	C46	H461	H462	120.7°	90.0°
C46	C47	H471	H472	120.0°	90.0°
H461	C46	C47	H471	73.9°	90.0°
H461	C46	C47	H472	35.6°	90.0°
H462	C46	C47	H471	35.6°	90.0°
H462	C46	C47	H472	145.0°	90.0°

Definition date:	2005-07-27
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2A69