B13

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	P	doub	0.00Å	1.47Å
P	O2	sing	0.00Å	1.62Å
P	O3	sing	0.00Å	1.60Å
P	O4	sing	0.00Å	1.45Å
O4	HO4	sing	0.00Å	0.95Å
O2	C3R	sing	0.00Å	1.44Å
C3R	C4R	sing	0.00Å	1.56Å
C3R	C2R	sing	0.00Å	1.48Å
C3R	H3R	sing	0.00Å	1.10Å
C4R	H4R	sing	0.00Å	1.10Å
C4R	C5R	sing	0.00Å	1.21Å
C4R	O6R	sing	0.00Å	1.41Å
C5R	H1	sing	0.00Å	1.10Å
C5R	O8R	sing	0.00Å	1.56Å
C5R	H5R	sing	0.00Å	1.08Å
O8R	HO8R	sing	0.00Å	0.95Å
O6R	C1R	sing	0.00Å	1.44Å
C1R	N1B	sing	0.00Å	1.53Å
C1R	C2R	sing	0.00Å	1.55Å
C1R	H1R	sing	0.00Å	1.10Å
N1B	C8B	sing	0.00Å	1.36Å	Aromatic
N1B	C2B	sing	0.00Å	1.42Å	Aromatic
C2B	N3B	doub	0.00Å	1.33Å	Aromatic
C2B	H2B	sing	0.00Å	1.08Å
N3B	C9B	sing	0.00Å	1.38Å	Aromatic
C9B	C8B	doub	0.00Å	1.42Å	Aromatic
C9B	C4B	sing	0.00Å	1.42Å	Aromatic
C4B	C5B	doub	0.00Å	1.41Å	Aromatic
C4B	H4B	sing	0.00Å	1.08Å
C5B	C6B	sing	0.00Å	1.46Å	Aromatic
C5B	O5B	sing	0.00Å	1.51Å
O5B	HO5B	sing	0.00Å	0.95Å
C6B	C7B	doub	0.00Å	1.38Å	Aromatic
C6B	H6B	sing	0.00Å	1.08Å
C7B	C8B	sing	0.00Å	1.42Å	Aromatic
C7B	H7B	sing	0.00Å	1.08Å
C2R	O7R	sing	0.00Å	1.38Å
C2R	H2R	sing	0.00Å	1.10Å
O7R	HO7R	sing	0.00Å	0.95Å
O3	C2P	sing	0.00Å	1.40Å
C2P	C3P	sing	0.00Å	1.51Å
C2P	C1P	sing	0.00Å	1.51Å
C2P	H2P	sing	0.00Å	1.10Å
C3P	H3P1	sing	0.00Å	1.10Å
C3P	H3P2	sing	0.00Å	1.10Å
C3P	H3P3	sing	0.00Å	1.10Å
C1P	N59	sing	0.00Å	1.47Å
C1P	H1P1	sing	0.00Å	1.10Å
C1P	H1P2	sing	0.00Å	1.10Å
N59	C57	sing	0.00Å	1.31Å
N59	HN59	sing	0.00Å	1.00Å
C57	O58	doub	0.00Å	1.24Å
C57	C56	sing	0.00Å	1.50Å
C56	C55	sing	0.00Å	1.53Å
C56	H561	sing	0.00Å	1.10Å
C56	H562	sing	0.00Å	1.10Å
C55	C17	sing	0.00Å	1.60Å
C55	H551	sing	0.00Å	1.10Å
C55	H552	sing	0.00Å	1.10Å
C17	C54	sing	0.00Å	1.55Å
C17	C18	sing	0.00Å	1.57Å
C17	C16	sing	0.00Å	1.59Å
C54	H541	sing	0.00Å	1.10Å
C54	H542	sing	0.00Å	1.10Å
C54	H543	sing	0.00Å	1.10Å
C18	C60	sing	0.00Å	1.55Å
C18	C19	sing	0.00Å	1.55Å
C18	H18	sing	0.00Å	1.10Å
C60	C61	sing	0.00Å	1.47Å
C60	H601	sing	0.00Å	1.10Å
C60	H602	sing	0.00Å	1.10Å
C61	N62	sing	0.00Å	1.31Å
C61	O63	doub	0.00Å	1.26Å
N62	H621	sing	0.00Å	1.00Å
N62	H622	sing	0.00Å	1.00Å
C19	N24	sing	0.00Å	1.48Å
C19	C1	sing	0.00Å	1.52Å
C19	H19	sing	0.00Å	1.10Å
C1	C20	sing	0.00Å	1.61Å
C1	C2	sing	0.00Å	1.60Å
C1	N21	sing	0.00Å	1.50Å
C2	C25	sing	0.00Å	1.59Å
C2	C26	sing	0.00Å	1.58Å
C2	C3	sing	0.00Å	1.57Å
C3	C30	sing	0.00Å	1.57Å
C3	C4	sing	0.00Å	1.52Å
C3	H3	sing	0.00Å	1.10Å
C4	N21	sing	0.00Å	1.32Å
C4	C5	sing	0.00Å	1.44Å
C4	H4	sing	0.00Å	1.10Å
C5	C6	doub	0.00Å	1.35Å
C5	C35	sing	0.00Å	1.56Å
C35	H351	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C35	H353	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.51Å
C30	H301	sing	0.00Å	1.10Å
C30	H302	sing	0.00Å	1.10Å
C31	C32	sing	0.00Å	1.47Å
C31	H311	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C32	N33	sing	0.00Å	1.32Å
C32	O34	doub	0.00Å	1.24Å
N33	H331	sing	0.00Å	1.00Å
N33	H332	sing	0.00Å	1.00Å
C26	C27	sing	0.00Å	1.52Å
C26	H261	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C27	N29	sing	0.00Å	1.32Å
C27	O28	doub	0.00Å	1.25Å
N29	H291	sing	0.00Å	1.00Å
N29	H292	sing	0.00Å	1.00Å
C25	H251	sing	0.00Å	1.10Å
C25	H252	sing	0.00Å	1.10Å
C25	H253	sing	0.00Å	1.10Å
C20	H201	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C20	H203	sing	0.00Å	1.10Å
N21	CO	sing	0.00Å	1.84Å
N24	C16	sing	0.00Å	1.32Å
N24	CO	sing	0.00Å	1.83Å
CO	N23	sing	0.00Å	1.92Å
CO	N22	sing	0.00Å	1.87Å
C16	C15	sing	0.00Å	1.43Å
C16	H16	sing	0.00Å	1.10Å
C15	C53	sing	0.00Å	1.51Å
C15	C14	doub	0.00Å	1.40Å
C53	H531	sing	0.00Å	1.10Å
C53	H532	sing	0.00Å	1.10Å
C53	H533	sing	0.00Å	1.10Å
C14	C13	sing	0.00Å	1.55Å
C14	N23	sing	0.00Å	1.39Å
N23	C11	sing	0.00Å	1.37Å
C13	C48	sing	0.00Å	1.56Å
C13	C12	sing	0.00Å	1.53Å
C13	H13	sing	0.00Å	1.10Å
C48	C49	sing	0.00Å	1.54Å
C48	H481	sing	0.00Å	1.10Å
C48	H482	sing	0.00Å	1.10Å
C49	C50	sing	0.00Å	1.52Å
C49	H491	sing	0.00Å	1.10Å
C49	H492	sing	0.00Å	1.10Å
C50	O51	doub	0.00Å	1.24Å
C50	N52	sing	0.00Å	1.30Å
N52	H521	sing	0.00Å	1.00Å
N52	H522	sing	0.00Å	1.00Å
C12	C47	sing	0.00Å	1.58Å
C12	C11	sing	0.00Å	1.54Å
C12	C46	sing	0.00Å	1.58Å
C46	H461	sing	0.00Å	1.10Å
C46	H462	sing	0.00Å	1.10Å
C46	H463	sing	0.00Å	1.10Å
C47	H471	sing	0.00Å	1.10Å
C47	H472	sing	0.00Å	1.10Å
C47	H473	sing	0.00Å	1.10Å
C11	C10	sing	0.00Å	1.36Å
C11	H11	sing	0.00Å	1.10Å
C10	C9	doub	0.00Å	1.36Å
C10	H10	sing	0.00Å	1.08Å
C9	N22	sing	0.00Å	1.34Å
C9	C8	sing	0.00Å	1.51Å
N22	C6	sing	0.00Å	1.41Å
C8	C41	sing	0.00Å	1.57Å
C8	C7	sing	0.00Å	1.56Å
C8	H8	sing	0.00Å	1.10Å
C41	C42	sing	0.00Å	1.52Å
C41	H411	sing	0.00Å	1.10Å
C41	H412	sing	0.00Å	1.10Å
C42	C43	sing	0.00Å	1.53Å
C42	H421	sing	0.00Å	1.10Å
C42	H422	sing	0.00Å	1.10Å
C43	O44	doub	0.00Å	1.25Å
C43	N45	sing	0.00Å	1.30Å
N45	H451	sing	0.00Å	1.00Å
N45	H452	sing	0.00Å	1.00Å
C7	C6	sing	0.00Å	1.58Å
C7	C37	sing	0.00Å	1.58Å
C7	C36	sing	0.00Å	1.58Å
C36	H361	sing	0.00Å	1.10Å
C36	H362	sing	0.00Å	1.10Å
C36	H363	sing	0.00Å	1.10Å
C37	C38	sing	0.00Å	1.50Å
C37	H371	sing	0.00Å	1.10Å
C37	H372	sing	0.00Å	1.10Å
C38	N40	sing	0.00Å	1.31Å
C38	O39	doub	0.00Å	1.25Å
N40	H401	sing	0.00Å	1.00Å
N40	H402	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	P	O2	109.6°	90.0°
O5	P	O3	109.1°	90.0°
O5	P	O4	119.3°	90.0°
O2	P	O3	101.6°	90.0°
O2	P	O4	112.9°	90.0°
P	O2	C3R	123.7°	90.0°
O3	P	O4	102.5°	90.0°
P	O3	C2P	126.0°	90.0°
P	O4	HO4	109.5°	90.0°
O2	C3R	C4R	102.4°	90.0°
O2	C3R	C2R	117.1°	90.0°
O2	C3R	H3R	107.0°	90.0°
C4R	C3R	C2R	100.8°	90.0°
C4R	C3R	H3R	121.8°	90.0°
C3R	C4R	H4R	117.9°	90.0°
C3R	C4R	C5R	129.9°	90.0°
C3R	C4R	O6R	103.1°	90.0°
C2R	C3R	H3R	108.4°	90.0°
C3R	C2R	C1R	102.2°	90.0°
C3R	C2R	O7R	124.9°	90.0°
C3R	C2R	H2R	107.4°	90.0°
H4R	C4R	C5R	33.7°	90.0°
H4R	C4R	O6R	130.2°	90.0°
C5R	C4R	O6R	126.3°	90.0°
C4R	C5R	H1	121.7°	90.0°
C4R	C5R	O8R	116.1°	90.0°
C4R	C5R	H5R	121.9°	90.0°
C4R	O6R	C1R	102.9°	90.0°
H1	C5R	O8R	122.2°	90.0°
H1	C5R	H5R	0.3°	90.0°
O8R	C5R	H5R	121.9°	90.0°
C5R	O8R	HO8R	109.5°	90.0°
O6R	C1R	N1B	115.3°	90.0°
O6R	C1R	C2R	108.6°	90.0°
O6R	C1R	H1R	108.3°	90.0°
N1B	C1R	C2R	115.3°	90.0°
N1B	C1R	H1R	100.4°	90.0°
C1R	N1B	C8B	133.6°	90.0°
C1R	N1B	C2B	112.9°	90.0°
C2R	C1R	H1R	108.3°	90.0°
C1R	C2R	O7R	117.0°	90.0°
C1R	C2R	H2R	117.5°	90.0°
C8B	N1B	C2B	106.9°	90.0°
N1B	C8B	C9B	106.9°	90.0°
N1B	C8B	C7B	128.7°	90.0°
N1B	C2B	N3B	110.3°	90.0°
N1B	C2B	H2B	124.8°	90.0°
N3B	C2B	H2B	124.8°	90.0°
C2B	N3B	C9B	107.2°	90.0°
N3B	C9B	C8B	108.6°	90.0°
N3B	C9B	C4B	132.1°	90.0°
C8B	C9B	C4B	119.3°	90.0°
C9B	C8B	C7B	124.3°	90.0°
C9B	C4B	C5B	117.5°	90.0°
C9B	C4B	H4B	121.2°	90.0°
C5B	C4B	H4B	121.2°	90.0°
C4B	C5B	C6B	121.0°	90.0°
C4B	C5B	O5B	119.8°	90.0°
C6B	C5B	O5B	119.1°	90.0°
C5B	C6B	C7B	122.0°	90.0°
C5B	C6B	H6B	119.0°	90.0°
C5B	O5B	HO5B	109.5°	90.0°
C7B	C6B	H6B	119.0°	90.0°
C6B	C7B	C8B	115.7°	90.0°
C6B	C7B	H7B	122.2°	90.0°
C8B	C7B	H7B	122.1°	90.0°
O7R	C2R	H2R	87.9°	90.0°
C2R	O7R	HO7R	109.5°	90.0°
O3	C2P	C3P	108.9°	90.0°
O3	C2P	C1P	106.8°	90.0°
O3	C2P	H2P	111.2°	90.0°
C3P	C2P	C1P	108.3°	90.0°
C3P	C2P	H2P	109.8°	90.0°
C2P	C3P	H3P1	109.5°	90.0°
C2P	C3P	H3P2	109.5°	90.0°
C2P	C3P	H3P3	109.5°	90.0°
C1P	C2P	H2P	111.8°	90.0°
C2P	C1P	N59	112.9°	90.0°
C2P	C1P	H1P1	108.3°	90.0°
C2P	C1P	H1P2	107.6°	90.0°
H3P1	C3P	H3P2	109.5°	90.0°
H3P1	C3P	H3P3	109.4°	90.0°
H3P2	C3P	H3P3	109.5°	90.0°
N59	C1P	H1P1	108.3°	90.0°
N59	C1P	H1P2	107.6°	90.0°
C1P	N59	C57	119.0°	90.0°
C1P	N59	HN59	120.5°	90.0°
H1P1	C1P	H1P2	112.2°	90.0°
C57	N59	HN59	120.5°	90.0°
N59	C57	O58	122.3°	90.0°
N59	C57	C56	115.5°	90.0°
O58	C57	C56	122.2°	90.0°
C57	C56	C55	108.9°	90.0°
C57	C56	H561	109.7°	90.0°
C57	C56	H562	109.8°	90.0°
C55	C56	H561	109.6°	90.0°
C55	C56	H562	109.8°	90.0°
C56	C55	C17	118.1°	90.0°
C56	C55	H551	106.7°	90.0°
C56	C55	H552	104.7°	90.0°
H561	C56	H562	109.0°	90.0°
C17	C55	H551	106.7°	90.0°
C17	C55	H552	104.7°	90.0°
C55	C17	C54	106.1°	90.0°
C55	C17	C18	111.2°	90.0°
C55	C17	C16	121.1°	90.0°
H551	C55	H552	116.5°	90.0°
C54	C17	C18	112.5°	90.0°
C54	C17	C16	106.2°	90.0°
C17	C54	H541	109.5°	90.0°
C17	C54	H542	109.5°	90.0°
C17	C54	H543	109.5°	90.0°
C18	C17	C16	99.7°	90.0°
C17	C18	C60	118.7°	90.0°
C17	C18	C19	103.9°	90.0°
C17	C18	H18	110.0°	90.0°
C17	C16	N24	112.6°	90.0°
C17	C16	C15	125.0°	90.0°
C17	C16	H16	111.4°	90.0°
H541	C54	H542	109.5°	90.0°
H541	C54	H543	109.4°	90.0°
H542	C54	H543	109.5°	90.0°
C60	C18	C19	116.5°	90.0°
C60	C18	H18	95.2°	90.0°
C18	C60	C61	122.2°	90.0°
C18	C60	H601	105.4°	90.0°
C18	C60	H602	102.5°	90.0°
C19	C18	H18	112.6°	90.0°
C18	C19	N24	104.9°	90.0°
C18	C19	C1	120.4°	90.0°
C18	C19	H19	104.3°	90.0°
C61	C60	H601	105.4°	90.0°
C61	C60	H602	102.5°	90.0°
C60	C61	N62	115.8°	90.0°
C60	C61	O63	121.2°	90.0°
H601	C60	H602	120.1°	90.0°
N62	C61	O63	123.0°	90.0°
C61	N62	H621	112.6°	90.0°
C61	N62	H622	123.7°	90.0°
H621	N62	H622	123.7°	90.0°
N24	C19	C1	106.1°	90.0°
N24	C19	H19	119.0°	90.0°
C19	N24	C16	110.2°	90.0°
C19	N24	CO	112.7°	90.0°
C1	C19	H19	103.1°	90.0°
C19	C1	C20	109.5°	90.0°
C19	C1	C2	120.0°	90.0°
C19	C1	N21	101.2°	90.0°
C20	C1	C2	115.8°	90.0°
C20	C1	N21	104.9°	90.0°
C1	C20	H201	109.5°	90.0°
C1	C20	H202	109.5°	90.0°
C1	C20	H203	109.4°	90.0°
C2	C1	N21	102.9°	90.0°
C1	C2	C25	113.7°	90.0°
C1	C2	C26	108.4°	90.0°
C1	C2	C3	101.6°	90.0°
C1	N21	C4	111.9°	90.0°
C1	N21	CO	114.8°	90.0°
C25	C2	C26	109.8°	90.0°
C25	C2	C3	115.9°	90.0°
C2	C25	H251	109.5°	90.0°
C2	C25	H252	109.5°	90.0°
C2	C25	H253	109.5°	90.0°
C26	C2	C3	106.8°	90.0°
C2	C26	C27	117.5°	90.0°
C2	C26	H261	106.9°	90.0°
C2	C26	H262	105.0°	90.0°
C2	C3	C30	117.5°	90.0°
C2	C3	C4	102.2°	90.0°
C2	C3	H3	111.5°	90.0°
C30	C3	C4	115.3°	90.0°
C30	C3	H3	97.1°	90.0°
C3	C30	C31	111.0°	90.0°
C3	C30	H301	108.9°	90.0°
C3	C30	H302	108.6°	90.0°
C4	C3	H3	113.8°	90.0°
C3	C4	N21	112.4°	90.0°
C3	C4	C5	124.2°	90.0°
C3	C4	H4	119.8°	90.0°
N21	C4	C5	123.4°	90.0°
N21	C4	H4	126.1°	90.0°
C4	N21	CO	133.3°	90.0°
C5	C4	H4	14.1°	90.0°
C4	C5	C6	119.5°	90.0°
C4	C5	C35	116.9°	90.0°
C6	C5	C35	123.5°	90.0°
C5	C6	N22	124.5°	90.0°
C5	C6	C7	126.3°	90.0°
C5	C35	H351	109.5°	90.0°
C5	C35	H352	109.5°	90.0°
C5	C35	H353	109.5°	90.0°
H351	C35	H352	109.5°	90.0°
H351	C35	H353	109.4°	90.0°
H352	C35	H353	109.5°	90.0°
C31	C30	H301	108.9°	90.0°
C31	C30	H302	108.6°	90.0°
C30	C31	C32	113.5°	90.0°
C30	C31	H311	108.2°	90.0°
C30	C31	H312	107.2°	90.0°
H301	C30	H302	110.7°	90.0°
C32	C31	H311	108.1°	90.0°
C32	C31	H312	107.2°	90.0°
C31	C32	N33	123.5°	90.0°
C31	C32	O34	109.0°	90.0°
H311	C31	H312	112.7°	90.0°
N33	C32	O34	127.5°	90.0°
C32	N33	H331	109.5°	90.0°
C32	N33	H332	125.2°	90.0°
H331	N33	H332	125.3°	90.0°
C27	C26	H261	106.9°	90.0°
C27	C26	H262	105.0°	90.0°
C26	C27	N29	118.1°	90.0°
C26	C27	O28	120.3°	90.0°
H261	C26	H262	116.0°	90.0°
N29	C27	O28	121.6°	90.0°
C27	N29	H291	108.1°	90.0°
C27	N29	H292	126.0°	90.0°
H291	N29	H292	125.9°	90.0°
H251	C25	H252	109.4°	90.0°
H251	C25	H253	109.4°	90.0°
H252	C25	H253	109.5°	90.0°
H201	C20	H202	109.5°	90.0°
H201	C20	H203	109.5°	90.0°
H202	C20	H203	109.5°	90.0°
N21	CO	N24	85.5°	90.0°
N21	CO	N23	174.4°	90.0°
N21	CO	N22	89.1°	90.0°
C16	N24	CO	135.9°	90.0°
N24	C16	C15	122.4°	90.0°
N24	C16	H16	133.5°	90.0°
N24	CO	N23	88.9°	90.0°
N24	CO	N22	169.6°	90.0°
N23	CO	N22	96.5°	90.0°
CO	N23	C14	127.1°	90.0°
CO	N23	C11	123.5°	90.0°
CO	N22	C9	122.7°	90.0°
CO	N22	C6	129.1°	90.0°
C15	C16	H16	20.6°	90.0°
C16	C15	C53	119.9°	90.0°
C16	C15	C14	119.1°	90.0°
C53	C15	C14	121.0°	90.0°
C15	C53	H531	109.5°	90.0°
C15	C53	H532	109.5°	90.0°
C15	C53	H533	109.4°	90.0°
C15	C14	C13	125.8°	90.0°
C15	C14	N23	126.2°	90.0°
H531	C53	H532	109.4°	90.0°
H531	C53	H533	109.4°	90.0°
H532	C53	H533	109.5°	90.0°
C13	C14	N23	108.0°	90.0°
C14	C13	C48	109.2°	90.0°
C14	C13	C12	105.6°	90.0°
C14	C13	H13	113.3°	90.0°
C14	N23	C11	109.4°	90.0°
N23	C11	C12	114.0°	90.0°
N23	C11	C10	123.5°	90.0°
N23	C11	H11	115.4°	90.0°
C48	C13	C12	112.7°	90.0°
C48	C13	H13	106.3°	90.0°
C13	C48	C49	116.4°	90.0°
C13	C48	H481	107.2°	90.0°
C13	C48	H482	105.6°	90.0°
C12	C13	H13	109.8°	90.0°
C13	C12	C47	119.7°	90.0°
C13	C12	C11	99.2°	90.0°
C13	C12	C46	107.4°	90.0°
C49	C48	H481	107.2°	90.0°
C49	C48	H482	105.6°	90.0°
C48	C49	C50	109.7°	90.0°
C48	C49	H491	109.4°	90.0°
C48	C49	H492	109.3°	90.0°
H481	C48	H482	115.1°	90.0°
C50	C49	H491	109.4°	90.0°
C50	C49	H492	109.3°	90.0°
C49	C50	O51	121.7°	90.0°
C49	C50	N52	116.7°	90.0°
H491	C49	H492	109.7°	90.0°
O51	C50	N52	121.6°	90.0°
C50	N52	H521	112.8°	90.0°
C50	N52	H522	123.6°	90.0°
H521	N52	H522	123.6°	90.0°
C47	C12	C11	116.5°	90.0°
C47	C12	C46	103.8°	90.0°
C12	C47	H471	109.5°	90.0°
C12	C47	H472	109.5°	90.0°
C12	C47	H473	109.5°	90.0°
C11	C12	C46	109.9°	90.0°
C12	C11	C10	122.5°	90.0°
C12	C11	H11	125.6°	90.0°
C12	C46	H461	109.5°	90.0°
C12	C46	H462	109.5°	90.0°
C12	C46	H463	109.4°	90.0°
H461	C46	H462	109.5°	90.0°
H461	C46	H463	109.5°	90.0°
H462	C46	H463	109.5°	90.0°
H471	C47	H472	109.4°	90.0°
H471	C47	H473	109.5°	90.0°
H472	C47	H473	109.5°	90.0°
C10	C11	H11	23.9°	90.0°
C11	C10	C9	126.3°	90.0°
C11	C10	H10	116.8°	90.0°
C9	C10	H10	116.9°	90.0°
C10	C9	N22	126.7°	90.0°
C10	C9	C8	119.2°	90.0°
N22	C9	C8	114.1°	90.0°
C9	N22	C6	108.2°	90.0°
C9	C8	C41	109.2°	90.0°
C9	C8	C7	100.7°	90.0°
C9	C8	H8	114.9°	90.0°
N22	C6	C7	109.1°	90.0°
C41	C8	C7	108.6°	90.0°
C41	C8	H8	107.7°	90.0°
C8	C41	C42	121.2°	90.0°
C8	C41	H411	105.7°	90.0°
C8	C41	H412	102.9°	90.0°
C7	C8	H8	115.4°	90.0°
C8	C7	C6	100.7°	90.0°
C8	C7	C37	103.9°	90.0°
C8	C7	C36	113.6°	90.0°
C42	C41	H411	105.7°	90.0°
C42	C41	H412	103.0°	90.0°
C41	C42	C43	107.8°	90.0°
C41	C42	H421	110.0°	90.0°
C41	C42	H422	110.4°	90.0°
H411	C41	H412	119.3°	90.0°
C43	C42	H421	110.0°	90.0°
C43	C42	H422	110.4°	90.0°
C42	C43	O44	122.3°	90.0°
C42	C43	N45	114.5°	90.0°
H421	C42	H422	108.2°	90.0°
O44	C43	N45	123.2°	90.0°
C43	N45	H451	109.6°	90.0°
C43	N45	H452	125.2°	90.0°
H451	N45	H452	125.2°	90.0°
C6	C7	C37	102.7°	90.0°
C6	C7	C36	126.8°	90.0°
C37	C7	C36	106.7°	90.0°
C7	C37	C38	121.0°	90.0°
C7	C37	H371	105.8°	90.0°
C7	C37	H372	103.1°	90.0°
C7	C36	H361	109.5°	90.0°
C7	C36	H362	109.5°	90.0°
C7	C36	H363	109.5°	90.0°
H361	C36	H362	109.5°	90.0°
H361	C36	H363	109.5°	90.0°
H362	C36	H363	109.5°	90.0°
C38	C37	H371	105.8°	90.0°
C38	C37	H372	103.1°	90.0°
C37	C38	N40	122.1°	90.0°
C37	C38	O39	117.4°	90.0°
H371	C37	H372	119.1°	90.0°
N40	C38	O39	120.5°	90.0°
C38	N40	H401	109.2°	90.0°
C38	N40	H402	125.4°	90.0°
H401	N40	H402	125.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	P	O2	O3	115.3°	90.0°
O5	P	O2	O4	135.7°	90.0°
O5	P	O3	O4	127.4°	90.0°
O5	P	O4	HO4	154.8°	90.0°
O5	P	O2	C3R	36.5°	90.0°
O5	P	O3	C2P	178.6°	90.0°
O2	P	O3	O4	116.9°	90.0°
O2	P	O4	HO4	23.9°	90.0°
P	O2	C3R	C4R	164.9°	90.0°
P	O2	C3R	C2R	85.9°	90.0°
P	O2	C3R	H3R	35.8°	90.0°
O2	P	O3	C2P	62.9°	90.0°
O3	P	O4	HO4	84.6°	90.0°
O3	P	O2	C3R	78.8°	90.0°
P	O3	C2P	C3P	89.4°	90.0°
P	O3	C2P	C1P	153.9°	90.0°
P	O3	C2P	H2P	31.7°	90.0°
O4	P	O2	C3R	172.1°	90.0°
O4	P	O3	C2P	54.0°	90.0°
O2	C3R	C4R	C2R	121.1°	90.0°
O2	C3R	C4R	H3R	119.2°	90.0°
O2	C3R	C2R	H3R	121.0°	90.0°
O2	C3R	C4R	H4R	76.2°	90.0°
O2	C3R	C4R	C5R	114.5°	90.0°
O2	C3R	C4R	O6R	74.6°	90.0°
O2	C3R	C2R	C1R	82.2°	90.0°
O2	C3R	C2R	O7R	53.7°	90.0°
O2	C3R	C2R	H2R	153.6°	90.0°
C4R	C3R	C2R	H3R	129.0°	90.0°
C3R	C4R	H4R	C5R	121.0°	90.0°
C3R	C4R	H4R	O6R	141.5°	90.0°
C3R	C4R	C5R	O6R	169.0°	90.0°
C3R	C4R	C5R	H1	99.8°	90.0°
C3R	C4R	C5R	O8R	80.2°	90.0°
C3R	C4R	C5R	H5R	99.8°	90.0°
C3R	C4R	O6R	C1R	44.4°	90.0°
C4R	C3R	C2R	C1R	27.9°	90.0°
C4R	C3R	C2R	O7R	163.7°	90.0°
C4R	C3R	C2R	H2R	96.4°	90.0°
C2R	C3R	C4R	H4R	162.7°	90.0°
C2R	C3R	C4R	C5R	124.4°	90.0°
C2R	C3R	C4R	O6R	46.5°	90.0°
C3R	C2R	C1R	O6R	2.9°	90.0°
C3R	C2R	C1R	N1B	128.1°	90.0°
C3R	C2R	C1R	O7R	140.1°	90.0°
C3R	C2R	C1R	H2R	117.2°	90.0°
C3R	C2R	C1R	H1R	120.4°	90.0°
C3R	C2R	O7R	H2R	109.8°	90.0°
C3R	C2R	O7R	HO7R	49.5°	90.0°
H3R	C3R	C4R	H4R	43.0°	90.0°
H3R	C3R	C4R	C5R	4.7°	90.0°
H3R	C3R	C4R	O6R	166.2°	90.0°
H3R	C3R	C2R	C1R	156.8°	90.0°
H3R	C3R	C2R	O7R	67.3°	90.0°
H3R	C3R	C2R	H2R	32.6°	90.0°
H4R	C4R	C5R	O6R	110.0°	90.0°
H4R	C4R	C5R	H1	18.8°	90.0°
H4R	C4R	C5R	O8R	161.2°	90.0°
H4R	C4R	C5R	H5R	18.7°	90.0°
H4R	C4R	O6R	C1R	170.0°	90.0°
C4R	C5R	H1	O8R	179.9°	90.0°
C4R	C5R	H1	H5R	163.5°	90.0°
C4R	C5R	O8R	H5R	180.0°	90.0°
C4R	C5R	O8R	HO8R	43.9°	90.0°
C5R	C4R	O6R	C1R	127.0°	90.0°
O6R	C4R	C5R	H1	91.2°	90.0°
O6R	C4R	C5R	O8R	88.7°	90.0°
O6R	C4R	C5R	H5R	91.3°	90.0°
C4R	O6R	C1R	N1B	157.7°	90.0°
C4R	O6R	C1R	C2R	26.6°	90.0°
C4R	O6R	C1R	H1R	90.8°	90.0°
H1	C5R	O8R	H5R	0.1°	90.0°
H1	C5R	O8R	HO8R	136.2°	90.0°
H5R	C5R	O8R	HO8R	136.1°	90.0°
O6R	C1R	N1B	C2R	127.8°	90.0°
O6R	C1R	N1B	H1R	116.1°	90.0°
O6R	C1R	C2R	H1R	117.5°	90.0°
O6R	C1R	N1B	C8B	92.4°	90.0°
O6R	C1R	N1B	C2B	54.7°	90.0°
O6R	C1R	C2R	O7R	143.0°	90.0°
O6R	C1R	C2R	H2R	114.3°	90.0°
N1B	C1R	C2R	H1R	111.5°	90.0°
C1R	N1B	C8B	C2B	148.5°	90.0°
C1R	N1B	C2B	N3B	159.1°	90.0°
C1R	N1B	C2B	H2B	20.8°	90.0°
C1R	N1B	C8B	C9B	151.7°	90.0°
C1R	N1B	C8B	C7B	31.3°	90.0°
N1B	C1R	C2R	O7R	12.0°	90.0°
N1B	C1R	C2R	H2R	114.7°	90.0°
C2R	C1R	N1B	C8B	139.8°	90.0°
C2R	C1R	N1B	C2B	73.1°	90.0°
C1R	C2R	O7R	H2R	120.0°	90.0°
C1R	C2R	O7R	HO7R	80.7°	90.0°
H1R	C1R	N1B	C8B	23.7°	90.0°
H1R	C1R	N1B	C2B	170.8°	90.0°
H1R	C1R	C2R	O7R	99.5°	90.0°
H1R	C1R	C2R	H2R	3.2°	90.0°
C8B	N1B	C2B	N3B	3.4°	90.0°
C8B	N1B	C2B	H2B	176.6°	90.0°
N1B	C8B	C9B	N3B	2.1°	90.0°
N1B	C8B	C9B	C7B	177.1°	90.0°
N1B	C8B	C9B	C4B	178.5°	90.0°
N1B	C8B	C7B	C6B	177.8°	90.0°
N1B	C8B	C7B	H7B	2.2°	90.0°
N1B	C2B	N3B	H2B	180.0°	90.0°
N1B	C2B	N3B	C9B	2.0°	90.0°
C2B	N1B	C8B	C9B	3.2°	90.0°
C2B	N1B	C8B	C7B	179.8°	90.0°
C2B	N3B	C9B	C8B	0.0°	90.0°
C2B	N3B	C9B	C4B	179.4°	90.0°
H2B	C2B	N3B	C9B	177.9°	90.0°
N3B	C9B	C8B	C4B	179.5°	90.0°
N3B	C9B	C4B	C5B	179.8°	90.0°
N3B	C9B	C4B	H4B	0.2°	90.0°
N3B	C9B	C8B	C7B	179.2°	90.0°
C8B	C9B	C4B	C5B	0.4°	90.0°
C8B	C9B	C4B	H4B	179.6°	90.0°
C9B	C8B	C7B	C6B	1.3°	90.0°
C9B	C8B	C7B	H7B	178.7°	90.0°
C9B	C4B	C5B	H4B	180.0°	90.0°
C9B	C4B	C5B	C6B	0.4°	90.0°
C9B	C4B	C5B	O5B	180.0°	90.0°
C4B	C9B	C8B	C7B	1.3°	90.0°
C4B	C5B	C6B	O5B	179.6°	90.0°
C4B	C5B	O5B	HO5B	27.6°	90.0°
C4B	C5B	C6B	C7B	0.4°	90.0°
C4B	C5B	C6B	H6B	179.6°	90.0°
H4B	C4B	C5B	C6B	179.7°	90.0°
H4B	C4B	C5B	O5B	0.0°	90.0°
C6B	C5B	O5B	HO5B	152.0°	90.0°
C5B	C6B	C7B	H6B	180.0°	90.0°
C5B	C6B	C7B	C8B	0.4°	90.0°
C5B	C6B	C7B	H7B	179.6°	90.0°
O5B	C5B	C6B	C7B	180.0°	90.0°
O5B	C5B	C6B	H6B	0.0°	90.0°
C6B	C7B	C8B	H7B	180.0°	90.0°
H6B	C6B	C7B	C8B	179.6°	90.0°
H6B	C6B	C7B	H7B	0.4°	90.0°
H2R	C2R	O7R	HO7R	159.3°	90.0°
O3	C2P	C3P	C1P	115.7°	90.0°
O3	C2P	C3P	H2P	122.0°	90.0°
O3	C2P	C1P	H2P	121.8°	90.0°
O3	C2P	C3P	H3P1	31.8°	90.0°
O3	C2P	C3P	H3P2	88.3°	90.0°
O3	C2P	C3P	H3P3	151.8°	90.0°
O3	C2P	C1P	N59	43.0°	90.0°
O3	C2P	C1P	H1P1	77.0°	90.0°
O3	C2P	C1P	H1P2	161.6°	90.0°
C3P	C2P	C1P	H2P	121.0°	90.0°
C2P	C3P	H3P1	H3P2	120.0°	90.0°
C2P	C3P	H3P1	H3P3	120.0°	90.0°
C2P	C3P	H3P2	H3P3	120.0°	90.0°
C3P	C2P	C1P	N59	160.2°	90.0°
C3P	C2P	C1P	H1P1	40.2°	90.0°
C3P	C2P	C1P	H1P2	81.3°	90.0°
C1P	C2P	C3P	H3P1	84.0°	90.0°
C1P	C2P	C3P	H3P2	156.0°	90.0°
C1P	C2P	C3P	H3P3	36.0°	90.0°
C2P	C1P	N59	H1P1	120.0°	90.0°
C2P	C1P	N59	H1P2	118.5°	90.0°
C2P	C1P	H1P1	H1P2	118.6°	90.0°
C2P	C1P	N59	C57	92.1°	90.0°
C2P	C1P	N59	HN59	87.8°	90.0°
H2P	C2P	C3P	H3P1	153.7°	90.0°
H2P	C2P	C3P	H3P2	33.7°	90.0°
H2P	C2P	C3P	H3P3	86.3°	90.0°
H2P	C2P	C1P	N59	78.8°	90.0°
H2P	C2P	C1P	H1P1	161.2°	90.0°
H2P	C2P	C1P	H1P2	39.7°	90.0°
H3P1	C3P	H3P2	H3P3	120.0°	90.0°
N59	C1P	H1P1	H1P2	118.6°	90.0°
C1P	N59	C57	HN59	180.0°	90.0°
C1P	N59	C57	O58	0.7°	90.0°
C1P	N59	C57	C56	178.7°	90.0°
H1P1	C1P	N59	C57	147.9°	90.0°
H1P1	C1P	N59	HN59	32.2°	90.0°
H1P2	C1P	N59	C57	26.4°	90.0°
H1P2	C1P	N59	HN59	153.7°	90.0°
N59	C57	O58	C56	179.3°	90.0°
N59	C57	C56	C55	89.4°	90.0°
N59	C57	C56	H561	150.6°	90.0°
N59	C57	C56	H562	30.8°	90.0°
HN59	N59	C57	O58	179.3°	90.0°
HN59	N59	C57	C56	1.4°	90.0°
O58	C57	C56	C55	89.9°	90.0°
O58	C57	C56	H561	30.1°	90.0°
O58	C57	C56	H562	149.8°	90.0°
C57	C56	C55	H561	120.0°	90.0°
C57	C56	C55	H562	120.2°	90.0°
C57	C56	H561	H562	120.2°	90.0°
C57	C56	C55	C17	154.0°	90.0°
C57	C56	C55	H551	86.0°	90.0°
C57	C56	C55	H552	38.1°	90.0°
C55	C56	H561	H562	120.2°	90.0°
C56	C55	C17	H551	120.0°	90.0°
C56	C55	C17	H552	115.9°	90.0°
C56	C55	H551	H552	116.5°	90.0°
C56	C55	C17	C54	168.1°	90.0°
C56	C55	C17	C18	69.4°	90.0°
C56	C55	C17	C16	47.1°	90.0°
H561	C56	C55	C17	34.0°	90.0°
H561	C56	C55	H551	154.0°	90.0°
H561	C56	C55	H552	81.9°	90.0°
H562	C56	C55	C17	85.7°	90.0°
H562	C56	C55	H551	34.3°	90.0°
H562	C56	C55	H552	158.4°	90.0°
C17	C55	H551	H552	116.4°	90.0°
C55	C17	C54	C18	121.8°	90.0°
C55	C17	C54	C16	130.1°	90.0°
C55	C17	C18	C16	129.0°	90.0°
C55	C17	C54	H541	8.8°	90.0°
C55	C17	C54	H542	111.2°	90.0°
C55	C17	C54	H543	128.8°	90.0°
C55	C17	C18	C60	75.6°	90.0°
C55	C17	C18	C19	153.2°	90.0°
C55	C17	C18	H18	32.4°	90.0°
C55	C17	C16	N24	133.5°	90.0°
C55	C17	C16	C15	48.5°	90.0°
C55	C17	C16	H16	31.0°	90.0°
H551	C55	C17	C54	71.9°	90.0°
H551	C55	C17	C18	50.6°	90.0°
H551	C55	C17	C16	167.2°	90.0°
H552	C55	C17	C54	52.1°	90.0°
H552	C55	C17	C18	174.7°	90.0°
H552	C55	C17	C16	68.8°	90.0°
C54	C17	C18	C16	112.2°	90.0°
C17	C54	H541	H542	120.0°	90.0°
C17	C54	H541	H543	120.0°	90.0°
C17	C54	H542	H543	120.0°	90.0°
C54	C17	C18	C60	43.2°	90.0°
C54	C17	C18	C19	88.0°	90.0°
C54	C17	C18	H18	151.2°	90.0°
C54	C17	C16	N24	105.6°	90.0°
C54	C17	C16	C15	72.3°	90.0°
C54	C17	C16	H16	89.9°	90.0°
C18	C17	C54	H541	112.9°	90.0°
C18	C17	C54	H542	127.1°	90.0°
C18	C17	C54	H543	7.0°	90.0°
C17	C18	C60	C19	125.3°	90.0°
C17	C18	C60	H18	116.2°	90.0°
C17	C18	C19	H18	119.0°	90.0°
C17	C18	C60	C61	126.4°	90.0°
C17	C18	C60	H601	113.6°	90.0°
C17	C18	C60	H602	12.8°	90.0°
C17	C18	C19	N24	29.8°	90.0°
C17	C18	C19	C1	149.0°	90.0°
C17	C18	C19	H19	96.1°	90.0°
C18	C17	C16	N24	11.3°	90.0°
C18	C17	C16	C15	170.7°	90.0°
C18	C17	C16	H16	153.1°	90.0°
C16	C17	C54	H541	139.0°	90.0°
C16	C17	C54	H542	19.0°	90.0°
C16	C17	C54	H543	101.1°	90.0°
C16	C17	C18	C60	155.4°	90.0°
C16	C17	C18	C19	24.1°	90.0°
C16	C17	C18	H18	96.6°	90.0°
C17	C16	N24	C19	7.5°	90.0°
C17	C16	N24	C15	178.0°	90.0°
C17	C16	N24	H16	159.9°	90.0°
C17	C16	N24	CO	173.3°	90.0°
C17	C16	C15	H16	53.2°	90.0°
C17	C16	C15	C53	4.8°	90.0°
C17	C16	C15	C14	173.9°	90.0°
H541	C54	H542	H543	120.0°	90.0°
C60	C18	C19	H18	108.5°	90.0°
C18	C60	C61	H601	120.0°	90.0°
C18	C60	C61	H602	113.6°	90.0°
C18	C60	H601	H602	114.8°	90.0°
C18	C60	C61	N62	26.8°	90.0°
C18	C60	C61	O63	152.4°	90.0°
C60	C18	C19	N24	162.3°	90.0°
C60	C18	C19	C1	78.5°	90.0°
C60	C18	C19	H19	36.4°	90.0°
C19	C18	C60	C61	108.3°	90.0°
C19	C18	C60	H601	11.7°	90.0°
C19	C18	C60	H602	138.1°	90.0°
C18	C19	N24	C1	128.4°	90.0°
C18	C19	N24	H19	116.1°	90.0°
C18	C19	C1	H19	115.5°	90.0°
C18	C19	C1	C20	53.5°	90.0°
C18	C19	C1	C2	84.0°	90.0°
C18	C19	C1	N21	163.9°	90.0°
C18	C19	N24	C16	23.7°	90.0°
C18	C19	N24	CO	167.0°	90.0°
H18	C18	C60	C61	10.2°	90.0°
H18	C18	C60	H601	130.2°	90.0°
H18	C18	C60	H602	103.4°	90.0°
H18	C18	C19	N24	89.2°	90.0°
H18	C18	C19	C1	30.0°	90.0°
H18	C18	C19	H19	144.9°	90.0°
C61	C60	H601	H602	114.7°	90.0°
C60	C61	N62	O63	179.2°	90.0°
C60	C61	N62	H621	179.2°	90.0°
C60	C61	N62	H622	0.8°	90.0°
H601	C60	C61	N62	146.8°	90.0°
H601	C60	C61	O63	32.4°	90.0°
H602	C60	C61	N62	86.8°	90.0°
H602	C60	C61	O63	94.0°	90.0°
C61	N62	H621	H622	180.0°	90.0°
O63	C61	N62	H621	0.0°	90.0°
O63	C61	N62	H622	180.0°	90.0°
N24	C19	C1	H19	125.8°	90.0°
N24	C19	C1	C20	65.2°	90.0°
N24	C19	C1	C2	157.3°	90.0°
N24	C19	C1	N21	45.2°	90.0°
C19	N24	CO	N21	14.3°	90.0°
C19	N24	C16	CO	165.7°	90.0°
C19	N24	CO	N23	165.8°	90.0°
C19	N24	CO	N22	44.6°	90.0°
C19	N24	C16	C15	170.5°	90.0°
C19	N24	C16	H16	167.4°	90.0°
C19	C1	C20	C2	139.5°	90.0°
C19	C1	C20	N21	107.9°	90.0°
C19	C1	C2	N21	111.3°	90.0°
C19	C1	C2	C25	95.5°	90.0°
C19	C1	C2	C26	26.9°	90.0°
C19	C1	C2	C3	139.3°	90.0°
C19	C1	N21	C4	142.7°	90.0°
C19	C1	C20	H201	146.0°	90.0°
C19	C1	C20	H202	26.0°	90.0°
C19	C1	C20	H203	94.0°	90.0°
C19	C1	N21	CO	37.2°	90.0°
C1	C19	N24	C16	152.1°	90.0°
C1	C19	N24	CO	38.6°	90.0°
H19	C19	C1	C20	169.0°	90.0°
H19	C19	C1	C2	31.5°	90.0°
H19	C19	C1	N21	80.7°	90.0°
H19	C19	N24	C16	92.4°	90.0°
H19	C19	N24	CO	76.9°	90.0°
C20	C1	C2	N21	113.8°	90.0°
C20	C1	C2	C25	39.5°	90.0°
C20	C1	C2	C26	161.9°	90.0°
C20	C1	C2	C3	85.7°	90.0°
C20	C1	N21	C4	103.4°	90.0°
C1	C20	H201	H202	120.0°	90.0°
C1	C20	H201	H203	120.0°	90.0°
C1	C20	H202	H203	120.0°	90.0°
C20	C1	N21	CO	76.8°	90.0°
C1	C2	C25	C26	121.7°	90.0°
C1	C2	C25	C3	117.2°	90.0°
C1	C2	C26	C3	108.8°	90.0°
C1	C2	C3	C30	99.4°	90.0°
C1	C2	C3	C4	27.9°	90.0°
C1	C2	C3	H3	149.8°	90.0°
C2	C1	N21	C4	18.1°	90.0°
C1	C2	C26	C27	176.4°	90.0°
C1	C2	C26	H261	56.4°	90.0°
C1	C2	C26	H262	67.4°	90.0°
C1	C2	C25	H251	163.5°	90.0°
C1	C2	C25	H252	43.5°	90.0°
C1	C2	C25	H253	76.6°	90.0°
C2	C1	C20	H201	74.6°	90.0°
C2	C1	C20	H202	165.4°	90.0°
C2	C1	C20	H203	45.4°	90.0°
C2	C1	N21	CO	161.8°	90.0°
N21	C1	C2	C25	153.2°	90.0°
N21	C1	C2	C26	84.3°	90.0°
N21	C1	C2	C3	28.0°	90.0°
C1	N21	C4	C3	0.5°	90.0°
C1	N21	C4	CO	179.8°	90.0°
C1	N21	C4	C5	177.8°	90.0°
C1	N21	C4	H4	165.3°	90.0°
N21	C1	C20	H201	38.0°	90.0°
N21	C1	C20	H202	81.9°	90.0°
N21	C1	C20	H203	158.1°	90.0°
C1	N21	CO	N24	14.6°	90.0°
C1	N21	CO	N23	13.5°	90.0°
C1	N21	CO	N22	174.3°	90.0°
C25	C2	C26	C3	126.4°	90.0°
C25	C2	C3	C30	24.4°	90.0°
C25	C2	C3	C4	151.6°	90.0°
C25	C2	C3	H3	86.4°	90.0°
C25	C2	C26	C27	51.6°	90.0°
C25	C2	C26	H261	68.3°	90.0°
C25	C2	C26	H262	167.9°	90.0°
C2	C25	H251	H252	120.0°	90.0°
C2	C25	H251	H253	120.0°	90.0°
C2	C25	H252	H253	120.0°	90.0°
C26	C2	C3	C30	147.1°	90.0°
C26	C2	C3	C4	85.7°	90.0°
C26	C2	C3	H3	36.3°	90.0°
C2	C26	C27	H261	120.0°	90.0°
C2	C26	C27	H262	116.2°	90.0°
C2	C26	H261	H262	116.7°	90.0°
C2	C26	C27	N29	122.5°	90.0°
C2	C26	C27	O28	58.0°	90.0°
C26	C2	C25	H251	74.9°	90.0°
C26	C2	C25	H252	165.1°	90.0°
C26	C2	C25	H253	45.1°	90.0°
C2	C3	C30	C4	120.6°	90.0°
C2	C3	C30	H3	118.8°	90.0°
C2	C3	C4	H3	120.3°	90.0°
C2	C3	C4	N21	19.2°	90.0°
C2	C3	C4	C5	159.1°	90.0°
C2	C3	C4	H4	174.9°	90.0°
C2	C3	C30	C31	105.7°	90.0°
C2	C3	C30	H301	134.3°	90.0°
C2	C3	C30	H302	13.7°	90.0°
C3	C2	C26	C27	74.8°	90.0°
C3	C2	C26	H261	165.2°	90.0°
C3	C2	C26	H262	41.5°	90.0°
C3	C2	C25	H251	46.2°	90.0°
C3	C2	C25	H252	73.8°	90.0°
C3	C2	C25	H253	166.2°	90.0°
C30	C3	C4	H3	111.0°	90.0°
C30	C3	C4	N21	109.4°	90.0°
C30	C3	C4	C5	72.2°	90.0°
C30	C3	C4	H4	56.5°	90.0°
C3	C30	C31	H301	120.0°	90.0°
C3	C30	C31	H302	119.3°	90.0°
C3	C30	H301	H302	119.4°	90.0°
C3	C30	C31	C32	167.3°	90.0°
C3	C30	C31	H311	47.3°	90.0°
C3	C30	C31	H312	74.4°	90.0°
C3	C4	N21	C5	178.3°	90.0°
C3	C4	N21	H4	164.8°	90.0°
C3	C4	C5	H4	76.1°	90.0°
C3	C4	C5	C6	172.7°	90.0°
C3	C4	C5	C35	9.5°	90.0°
C4	C3	C30	C31	133.7°	90.0°
C4	C3	C30	H301	13.7°	90.0°
C4	C3	C30	H302	106.9°	90.0°
C3	C4	N21	CO	179.6°	90.0°
H3	C3	C4	N21	139.5°	90.0°
H3	C3	C4	C5	38.8°	90.0°
H3	C3	C4	H4	54.6°	90.0°
H3	C3	C30	C31	13.1°	90.0°
H3	C3	C30	H301	106.9°	90.0°
H3	C3	C30	H302	132.4°	90.0°
N21	C4	C5	H4	105.7°	90.0°
N21	C4	C5	C6	9.2°	90.0°
N21	C4	C5	C35	168.7°	90.0°
C4	N21	CO	N24	165.2°	90.0°
C4	N21	CO	N23	166.3°	90.0°
C4	N21	CO	N22	5.8°	90.0°
C4	C5	C6	C35	177.7°	90.0°
C4	C5	C35	H351	175.1°	90.0°
C4	C5	C35	H352	64.9°	90.0°
C4	C5	C35	H353	55.1°	90.0°
C5	C4	N21	CO	2.0°	90.0°
C4	C5	C6	N22	5.4°	90.0°
C4	C5	C6	C7	176.4°	90.0°
H4	C4	C5	C6	96.5°	90.0°
H4	C4	C5	C35	85.6°	90.0°
H4	C4	N21	CO	14.8°	90.0°
C6	C5	C35	H351	2.7°	90.0°
C6	C5	C35	H352	117.3°	90.0°
C6	C5	C35	H353	122.7°	90.0°
C5	C6	N22	CO	5.4°	90.0°
C5	C6	N22	C9	176.0°	90.0°
C5	C6	N22	C7	178.5°	90.0°
C5	C6	C7	C8	161.6°	90.0°
C5	C6	C7	C37	91.4°	90.0°
C5	C6	C7	C36	31.1°	90.0°
C5	C35	H351	H352	120.0°	90.0°
C5	C35	H351	H353	120.0°	90.0°
C5	C35	H352	H353	120.0°	90.0°
C35	C5	C6	N22	172.3°	90.0°
C35	C5	C6	C7	5.9°	90.0°
H351	C35	H352	H353	120.0°	90.0°
C31	C30	H301	H302	119.4°	90.0°
C30	C31	C32	H311	120.0°	90.0°
C30	C31	C32	H312	118.2°	90.0°
C30	C31	H311	H312	118.3°	90.0°
C30	C31	C32	N33	54.7°	90.0°
C30	C31	C32	O34	125.8°	90.0°
H301	C30	C31	C32	72.7°	90.0°
H301	C30	C31	H311	167.3°	90.0°
H301	C30	C31	H312	45.5°	90.0°
H302	C30	C31	C32	48.0°	90.0°
H302	C30	C31	H311	72.0°	90.0°
H302	C30	C31	H312	166.2°	90.0°
C32	C31	H311	H312	118.3°	90.0°
C31	C32	N33	O34	179.5°	90.0°
C31	C32	N33	H331	0.0°	90.0°
C31	C32	N33	H332	180.0°	90.0°
H311	C31	C32	N33	65.4°	90.0°
H311	C31	C32	O34	114.2°	90.0°
H312	C31	C32	N33	172.9°	90.0°
H312	C31	C32	O34	7.5°	90.0°
C32	N33	H331	H332	180.0°	90.0°
O34	C32	N33	H331	179.5°	90.0°
O34	C32	N33	H332	0.6°	90.0°
C27	C26	H261	H262	116.7°	90.0°
C26	C27	N29	O28	179.4°	90.0°
C26	C27	N29	H291	0.0°	90.0°
C26	C27	N29	H292	180.0°	90.0°
H261	C26	C27	N29	2.6°	90.0°
H261	C26	C27	O28	178.0°	90.0°
H262	C26	C27	N29	121.2°	90.0°
H262	C26	C27	O28	58.2°	90.0°
C27	N29	H291	H292	180.0°	90.0°
O28	C27	N29	H291	179.4°	90.0°
O28	C27	N29	H292	0.6°	90.0°
H251	C25	H252	H253	119.9°	90.0°
H201	C20	H202	H203	120.0°	90.0°
N21	CO	N24	C16	179.8°	90.0°
N21	CO	N24	N23	179.9°	90.0°
N21	CO	N24	N22	58.9°	90.0°
N21	CO	N23	N22	172.1°	90.0°
N21	CO	N23	C14	4.3°	90.0°
N21	CO	N23	C11	173.5°	90.0°
N21	CO	N22	C9	172.3°	90.0°
N21	CO	N22	C6	9.3°	90.0°
C16	N24	CO	N23	0.3°	90.0°
C16	N24	CO	N22	120.9°	90.0°
N24	C16	C15	H16	129.0°	90.0°
N24	C16	C15	C53	177.4°	90.0°
N24	C16	C15	C14	3.8°	90.0°
N24	CO	N23	N22	171.0°	90.0°
CO	N24	C16	C15	4.8°	90.0°
CO	N24	C16	H16	26.9°	90.0°
N24	CO	N23	C14	5.4°	90.0°
N24	CO	N23	C11	172.5°	90.0°
N24	CO	N22	C9	129.1°	90.0°
N24	CO	N22	C6	49.3°	90.0°
CO	N23	C14	C15	7.4°	90.0°
CO	N23	C14	C13	173.2°	90.0°
CO	N23	C14	C11	178.1°	90.0°
CO	N23	C11	C12	173.9°	90.0°
CO	N23	C11	C10	3.7°	90.0°
CO	N23	C11	H11	29.6°	90.0°
N23	CO	N22	C9	8.4°	90.0°
N23	CO	N22	C6	169.9°	90.0°
N22	CO	N23	C14	176.5°	90.0°
N22	CO	N23	C11	1.4°	90.0°
CO	N22	C9	C10	11.7°	90.0°
CO	N22	C9	C6	178.7°	90.0°
CO	N22	C9	C8	168.6°	90.0°
CO	N22	C6	C7	173.1°	90.0°
C16	C15	C53	C14	178.7°	90.0°
C16	C15	C53	H531	11.2°	90.0°
C16	C15	C53	H532	131.2°	90.0°
C16	C15	C53	H533	108.7°	90.0°
C16	C15	C14	C13	178.6°	90.0°
C16	C15	C14	N23	2.1°	90.0°
H16	C16	C15	C53	48.4°	90.0°
H16	C16	C15	C14	132.8°	90.0°
C15	C53	H531	H532	120.0°	90.0°
C15	C53	H531	H533	120.0°	90.0°
C15	C53	H532	H533	120.0°	90.0°
C53	C15	C14	C13	2.7°	90.0°
C53	C15	C14	N23	176.6°	90.0°
C14	C15	C53	H531	170.1°	90.0°
C14	C15	C53	H532	50.1°	90.0°
C14	C15	C53	H533	70.0°	90.0°
C15	C14	C13	N23	179.4°	90.0°
C15	C14	N23	C11	170.8°	90.0°
C15	C14	C13	C48	77.1°	90.0°
C15	C14	C13	C12	161.4°	90.0°
C15	C14	C13	H13	41.2°	90.0°
H531	C53	H532	H533	120.0°	90.0°
C13	C14	N23	C11	8.6°	90.0°
C14	C13	C48	C12	117.1°	90.0°
C14	C13	C48	H13	122.6°	90.0°
C14	C13	C12	H13	122.5°	90.0°
C14	C13	C48	C49	120.1°	90.0°
C14	C13	C48	H481	120.0°	90.0°
C14	C13	C48	H482	3.3°	90.0°
C14	C13	C12	C47	146.2°	90.0°
C14	C13	C12	C11	18.4°	90.0°
C14	C13	C12	C46	96.0°	90.0°
N23	C14	C13	C48	103.5°	90.0°
N23	C14	C13	C12	18.0°	90.0°
N23	C14	C13	H13	138.2°	90.0°
C14	N23	C11	C12	4.3°	90.0°
C14	N23	C11	C10	178.1°	90.0°
C14	N23	C11	H11	152.2°	90.0°
N23	C11	C12	C13	14.9°	90.0°
N23	C11	C12	C47	144.8°	90.0°
N23	C11	C12	C10	177.6°	90.0°
N23	C11	C12	H11	153.7°	90.0°
N23	C11	C12	C46	97.5°	90.0°
N23	C11	C10	H11	77.2°	90.0°
N23	C11	C10	C9	3.0°	90.0°
N23	C11	C10	H10	177.0°	90.0°
C48	C13	C12	H13	118.3°	90.0°
C13	C48	C49	H481	120.0°	90.0°
C13	C48	C49	H482	116.8°	90.0°
C13	C48	H481	H482	117.2°	90.0°
C13	C48	C49	C50	172.0°	90.0°
C13	C48	C49	H491	68.0°	90.0°
C13	C48	C49	H492	52.1°	90.0°
C48	C13	C12	C47	27.1°	90.0°
C48	C13	C12	C11	100.8°	90.0°
C48	C13	C12	C46	144.8°	90.0°
C12	C13	C48	C49	122.9°	90.0°
C12	C13	C48	H481	2.9°	90.0°
C12	C13	C48	H482	120.3°	90.0°
C13	C12	C47	C11	119.4°	90.0°
C13	C12	C47	C46	119.6°	90.0°
C13	C12	C11	C46	112.4°	90.0°
C13	C12	C46	H461	9.6°	90.0°
C13	C12	C46	H462	129.5°	90.0°
C13	C12	C46	H463	110.5°	90.0°
C13	C12	C47	H471	13.7°	90.0°
C13	C12	C47	H472	106.3°	90.0°
C13	C12	C47	H473	133.7°	90.0°
C13	C12	C11	C10	167.5°	90.0°
C13	C12	C11	H11	138.8°	90.0°
H13	C13	C48	C49	2.5°	90.0°
H13	C13	C48	H481	117.4°	90.0°
H13	C13	C48	H482	119.3°	90.0°
H13	C13	C12	C47	91.2°	90.0°
H13	C13	C12	C11	140.9°	90.0°
H13	C13	C12	C46	26.5°	90.0°
C49	C48	H481	H482	117.2°	90.0°
C48	C49	C50	H491	120.0°	90.0°
C48	C49	C50	H492	119.9°	90.0°
C48	C49	H491	H492	119.9°	90.0°
C48	C49	C50	O51	74.4°	90.0°
C48	C49	C50	N52	107.1°	90.0°
H481	C48	C49	C50	52.0°	90.0°
H481	C48	C49	H491	172.0°	90.0°
H481	C48	C49	H492	67.9°	90.0°
H482	C48	C49	C50	71.2°	90.0°
H482	C48	C49	H491	48.8°	90.0°
H482	C48	C49	H492	168.9°	90.0°
C50	C49	H491	H492	119.9°	90.0°
C49	C50	O51	N52	178.4°	90.0°
C49	C50	N52	H521	1.5°	90.0°
C49	C50	N52	H522	178.5°	90.0°
H491	C49	C50	O51	45.6°	90.0°
H491	C49	C50	N52	132.9°	90.0°
H492	C49	C50	O51	165.7°	90.0°
H492	C49	C50	N52	12.8°	90.0°
O51	C50	N52	H521	180.0°	90.0°
O51	C50	N52	H522	0.0°	90.0°
C50	N52	H521	H522	180.0°	90.0°
C47	C12	C11	C46	117.6°	90.0°
C47	C12	C46	H461	118.1°	90.0°
C47	C12	C46	H462	1.8°	90.0°
C47	C12	C46	H463	121.8°	90.0°
C12	C47	H471	H472	120.0°	90.0°
C12	C47	H471	H473	120.0°	90.0°
C12	C47	H472	H473	120.0°	90.0°
C47	C12	C11	C10	37.5°	90.0°
C47	C12	C11	H11	8.9°	90.0°
C11	C12	C46	H461	116.5°	90.0°
C11	C12	C46	H462	123.5°	90.0°
C11	C12	C46	H463	3.5°	90.0°
C11	C12	C47	H471	133.1°	90.0°
C11	C12	C47	H472	13.1°	90.0°
C11	C12	C47	H473	106.9°	90.0°
C12	C11	C10	H11	105.4°	90.0°
C12	C11	C10	C9	174.4°	90.0°
C12	C11	C10	H10	5.6°	90.0°
C12	C46	H461	H462	120.0°	90.0°
C12	C46	H461	H463	120.0°	90.0°
C12	C46	H462	H463	120.0°	90.0°
C46	C12	C47	H471	105.9°	90.0°
C46	C12	C47	H472	134.1°	90.0°
C46	C12	C47	H473	14.1°	90.0°
C46	C12	C11	C10	80.1°	90.0°
C46	C12	C11	H11	108.8°	90.0°
H461	C46	H462	H463	120.0°	90.0°
H471	C47	H472	H473	120.0°	90.0°
C11	C10	C9	H10	180.0°	90.0°
C11	C10	C9	N22	5.5°	90.0°
C11	C10	C9	C8	174.8°	90.0°
H11	C11	C10	C9	80.2°	90.0°
H11	C11	C10	H10	99.9°	90.0°
C10	C9	N22	C8	179.7°	90.0°
C10	C9	N22	C6	167.0°	90.0°
C10	C9	C8	C41	91.0°	90.0°
C10	C9	C8	C7	154.7°	90.0°
C10	C9	C8	H8	30.1°	90.0°
H10	C10	C9	N22	174.5°	90.0°
H10	C10	C9	C8	5.2°	90.0°
N22	C9	C8	C41	89.2°	90.0°
N22	C9	C8	C7	25.0°	90.0°
N22	C9	C8	H8	149.7°	90.0°
C9	N22	C6	C7	5.5°	90.0°
C8	C9	N22	C6	12.8°	90.0°
C9	C8	C41	C7	109.0°	90.0°
C9	C8	C41	H8	125.4°	90.0°
C9	C8	C7	H8	124.3°	90.0°
C9	C8	C41	C42	95.1°	90.0°
C9	C8	C41	H411	144.9°	90.0°
C9	C8	C41	H412	19.0°	90.0°
C9	C8	C7	C6	24.5°	90.0°
C9	C8	C7	C37	81.6°	90.0°
C9	C8	C7	C36	162.9°	90.0°
N22	C6	C7	C8	19.9°	90.0°
N22	C6	C7	C37	87.1°	90.0°
N22	C6	C7	C36	150.5°	90.0°
C41	C8	C7	H8	121.0°	90.0°
C8	C41	C42	H411	120.0°	90.0°
C8	C41	C42	H412	114.1°	90.0°
C8	C41	H411	H412	115.1°	90.0°
C8	C41	C42	C43	165.8°	90.0°
C8	C41	C42	H421	45.8°	90.0°
C8	C41	C42	H422	73.6°	90.0°
C41	C8	C7	C6	90.2°	90.0°
C41	C8	C7	C37	163.7°	90.0°
C41	C8	C7	C36	48.2°	90.0°
C7	C8	C41	C42	155.8°	90.0°
C7	C8	C41	H411	35.9°	90.0°
C7	C8	C41	H412	90.0°	90.0°
C8	C7	C6	C37	107.0°	90.0°
C8	C7	C6	C36	130.5°	90.0°
C8	C7	C37	C36	120.3°	90.0°
C8	C7	C36	H361	115.1°	90.0°
C8	C7	C36	H362	4.9°	90.0°
C8	C7	C36	H363	124.9°	90.0°
C8	C7	C37	C38	88.6°	90.0°
C8	C7	C37	H371	151.4°	90.0°
C8	C7	C37	H372	25.7°	90.0°
H8	C8	C41	C42	30.2°	90.0°
H8	C8	C41	H411	89.8°	90.0°
H8	C8	C41	H412	144.4°	90.0°
H8	C8	C7	C6	148.8°	90.0°
H8	C8	C7	C37	42.7°	90.0°
H8	C8	C7	C36	72.8°	90.0°
C42	C41	H411	H412	115.2°	90.0°
C41	C42	C43	H421	120.0°	90.0°
C41	C42	C43	H422	120.6°	90.0°
C41	C42	H421	H422	120.7°	90.0°
C41	C42	C43	O44	59.5°	90.0°
C41	C42	C43	N45	121.4°	90.0°
H411	C41	C42	C43	74.3°	90.0°
H411	C41	C42	H421	165.7°	90.0°
H411	C41	C42	H422	46.4°	90.0°
H412	C41	C42	C43	51.6°	90.0°
H412	C41	C42	H421	68.4°	90.0°
H412	C41	C42	H422	172.3°	90.0°
C43	C42	H421	H422	120.7°	90.0°
C42	C43	O44	N45	178.9°	90.0°
C42	C43	N45	H451	179.6°	90.0°
C42	C43	N45	H452	0.4°	90.0°
H421	C42	C43	O44	60.5°	90.0°
H421	C42	C43	N45	118.6°	90.0°
H422	C42	C43	O44	179.8°	90.0°
H422	C42	C43	N45	0.8°	90.0°
O44	C43	N45	H451	0.6°	90.0°
O44	C43	N45	H452	179.4°	90.0°
C43	N45	H451	H452	180.0°	90.0°
C6	C7	C37	C36	135.2°	90.0°
C6	C7	C36	H361	119.4°	90.0°
C6	C7	C36	H362	120.5°	90.0°
C6	C7	C36	H363	0.5°	90.0°
C6	C7	C37	C38	166.8°	90.0°
C6	C7	C37	H371	46.8°	90.0°
C6	C7	C37	H372	78.9°	90.0°
C37	C7	C36	H361	1.3°	90.0°
C37	C7	C36	H362	118.7°	90.0°
C37	C7	C36	H363	121.3°	90.0°
C7	C37	C38	H371	120.0°	90.0°
C7	C37	C38	H372	114.3°	90.0°
C7	C37	H371	H372	115.2°	90.0°
C7	C37	C38	N40	57.6°	90.0°
C7	C37	C38	O39	121.8°	90.0°
C7	C36	H361	H362	120.0°	90.0°
C7	C36	H361	H363	120.0°	90.0°
C7	C36	H362	H363	120.0°	90.0°
C36	C7	C37	C38	31.6°	90.0°
C36	C7	C37	H371	88.4°	90.0°
C36	C7	C37	H372	145.9°	90.0°
H361	C36	H362	H363	120.0°	90.0°
C38	C37	H371	H372	115.3°	90.0°
C37	C38	N40	O39	179.4°	90.0°
C37	C38	N40	H401	180.0°	90.0°
C37	C38	N40	H402	0.0°	90.0°
H371	C37	C38	N40	177.6°	90.0°
H371	C37	C38	O39	1.8°	90.0°
H372	C37	C38	N40	56.6°	90.0°
H372	C37	C38	O39	123.9°	90.0°
C38	N40	H401	H402	180.0°	90.0°
O39	C38	N40	H401	0.6°	90.0°
O39	C38	N40	H402	179.5°	90.0°

Definition date:	2006-08-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2I2X