EY5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	1.21Å	1.24Å
C1	O2	sing	1.32Å	1.43Å
C1	C2	sing	1.51Å	1.52Å
O2	C13	sing	1.42Å	1.43Å
C13	C36	sing	1.52Å	1.53Å
C13	C12	sing	1.54Å	1.52Å
C36	C37	sing	1.53Å	1.50Å
C12	C35	sing	1.54Å	1.53Å
C12	C11	sing	1.52Å	1.54Å
C11	O12	sing	1.43Å	1.44Å
C11	C10	sing	1.53Å	1.54Å
C10	C34	sing	1.52Å	1.55Å
C10	C9	sing	1.51Å	1.53Å
C2	C30	sing	1.53Å	1.53Å
C2	C3	sing	1.51Å	1.53Å
C3	O3	sing	1.44Å	1.45Å
C3	C4	sing	1.52Å	1.55Å
O3	C14	sing	1.43Å	1.41Å
C14	O4	sing	1.43Å	1.43Å
C14	C15	sing	1.53Å	1.54Å
O4	C18	sing	1.43Å	1.42Å
C18	C21	sing	1.53Å	1.53Å
C18	C17	sing	1.53Å	1.51Å
C17	O6	sing	1.43Å	1.43Å
C17	C16	sing	1.53Å	1.54Å
C16	C19	sing	1.53Å	1.53Å
C16	O5	sing	1.43Å	1.43Å
C16	C15	sing	1.53Å	1.54Å
C4	C31	sing	1.52Å	1.54Å
C4	C5	sing	1.52Å	1.54Å
C5	C6	sing	1.52Å	1.54Å
C5	O7	sing	1.42Å	1.42Å
C6	C32	sing	1.55Å	1.53Å
C6	O10	sing	1.43Å	1.45Å
C6	C7	sing	1.52Å	1.55Å
C7	C8	sing	1.53Å	1.52Å
C8	C33	sing	1.54Å	1.54Å
C8	C9	sing	1.51Å	1.51Å
C9	O11	doub	1.21Å	1.21Å
O7	C22	sing	1.43Å	1.43Å
C22	O9	sing	1.43Å	1.42Å
C22	C23	sing	1.53Å	1.53Å
O9	C26	sing	1.43Å	1.43Å
C26	C27	sing	1.53Å	1.51Å
C26	C25	sing	1.53Å	1.53Å
C25	C24	sing	1.53Å	1.54Å
C24	N1	sing	1.47Å	1.50Å
C24	C23	sing	1.53Å	1.53Å
N1	C29	sing	1.47Å	1.47Å
N1	C28	sing	1.47Å	1.47Å
C23	O8	sing	1.43Å	1.43Å
C13	H21	sing	1.12Å	1.10Å
C2	H2	sing	1.12Å	1.10Å
C36	H361	sing	1.09Å	1.10Å
C36	H362	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C37	H371	sing	1.09Å	1.10Å
C37	H372	sing	1.09Å	1.10Å
C37	H373	sing	1.09Å	1.10Å
C35	H351	sing	1.09Å	1.10Å
C35	H352	sing	1.09Å	1.10Å
C35	H353	sing	1.09Å	1.10Å
C11	H11	sing	1.11Å	1.10Å
O12	HA	sing	0.97Å	0.95Å
C10	H10	sing	1.10Å	1.10Å
C34	H341	sing	1.09Å	1.10Å
C34	H342	sing	1.09Å	1.10Å
C34	H343	sing	1.09Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C30	H303	sing	1.09Å	1.10Å
C3	H3	sing	1.11Å	1.10Å
C4	H4	sing	1.12Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H213	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
O6	H6	sing	0.97Å	0.95Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
O5	H5	sing	0.97Å	0.95Å
C31	H311	sing	1.09Å	1.10Å
C31	H312	sing	1.09Å	1.10Å
C31	H313	sing	1.09Å	1.10Å
C5	HB	sing	1.11Å	1.10Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.09Å	1.10Å
C32	H323	sing	1.09Å	1.10Å
O10	HC	sing	0.97Å	0.95Å
C7	H7C1	sing	1.10Å	1.10Å
C7	H7C2	sing	1.08Å	1.10Å
C8	H8	sing	1.08Å	1.10Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.09Å	1.10Å
C33	H333	sing	1.09Å	1.10Å
C22	H22	sing	1.09Å	1.10Å
C23	H23	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C27	H271	sing	1.09Å	1.10Å
C27	H272	sing	1.09Å	1.10Å
C27	H273	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C29	H293	sing	1.09Å	1.10Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C28	H283	sing	1.09Å	1.10Å
O8	HD	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	120.5°	123.5°
O1	C1	C2	127.7°	117.5°
O2	C1	C2	111.8°	118.9°
C1	O2	C13	118.7°	129.7°
C1	C2	C30	107.9°	110.5°
C1	C2	C3	113.4°	115.2°
C1	C2	H2	109.8°	105.5°
O2	C13	C36	108.2°	115.0°
O2	C13	C12	107.1°	111.1°
O2	C13	H21	112.8°	107.2°
C36	C13	C12	112.3°	111.2°
C13	C36	C37	111.7°	109.4°
C36	C13	H21	107.7°	106.3°
C13	C36	H361	108.8°	109.5°
C13	C36	H362	108.3°	109.5°
C13	C12	C35	111.1°	107.9°
C13	C12	C11	111.2°	111.6°
C12	C13	H21	108.8°	105.4°
C13	C12	H12	107.7°	106.2°
C37	C36	H361	108.7°	109.5°
C37	C36	H362	108.2°	109.5°
C36	C37	H371	109.5°	109.5°
C36	C37	H372	109.5°	109.5°
C36	C37	H373	109.5°	109.5°
C35	C12	C11	110.9°	109.8°
C35	C12	H12	107.9°	108.8°
C12	C35	H351	109.5°	109.5°
C12	C35	H352	109.5°	109.5°
C12	C35	H353	109.4°	109.5°
C12	C11	O12	113.0°	110.8°
C12	C11	C10	113.3°	114.6°
C11	C12	H12	107.8°	112.3°
C12	C11	H11	103.7°	108.4°
O12	C11	C10	107.7°	108.7°
O12	C11	H11	109.7°	107.2°
C11	O12	HA	109.5°	114.0°
C11	C10	C34	110.5°	113.7°
C11	C10	C9	109.7°	109.1°
C10	C11	H11	109.4°	106.7°
C11	C10	H10	109.8°	107.9°
C34	C10	C9	112.7°	110.4°
C34	C10	H10	106.6°	108.1°
C10	C34	H341	109.5°	109.5°
C10	C34	H342	109.5°	109.5°
C10	C34	H343	109.5°	109.5°
C10	C9	C8	124.2°	122.4°
C10	C9	O11	117.7°	118.7°
C9	C10	H10	107.5°	107.4°
C30	C2	C3	114.5°	112.1°
C30	C2	H2	108.6°	105.9°
C2	C30	H301	109.5°	109.5°
C2	C30	H302	109.4°	109.5°
C2	C30	H303	109.4°	109.5°
C2	C3	O3	106.5°	109.1°
C2	C3	C4	112.9°	118.3°
C3	C2	H2	102.5°	106.9°
C2	C3	H3	110.1°	107.3°
O3	C3	C4	112.0°	109.5°
C3	O3	C14	118.5°	114.0°
O3	C3	H3	111.0°	105.3°
C3	C4	C31	112.0°	113.6°
C3	C4	C5	111.0°	110.9°
C4	C3	H3	104.3°	106.6°
C3	C4	H4	108.4°	106.4°
O3	C14	O4	107.3°	109.5°
O3	C14	C15	110.8°	109.5°
O3	C14	H14	111.1°	109.5°
O4	C14	C15	112.5°	109.4°
C14	O4	C18	116.7°	114.1°
O4	C14	H14	109.4°	109.5°
C14	C15	C16	113.2°	109.2°
C15	C14	H14	105.8°	109.5°
C14	C15	H151	108.3°	109.5°
C14	C15	H152	107.4°	109.5°
O4	C18	C21	107.9°	109.5°
O4	C18	C17	107.5°	109.4°
O4	C18	H18	112.2°	109.4°
C21	C18	C17	110.9°	109.5°
C21	C18	H18	108.9°	109.5°
C18	C21	H211	109.5°	109.5°
C18	C21	H212	109.4°	109.5°
C18	C21	H213	109.4°	109.5°
C18	C17	O6	109.6°	109.6°
C18	C17	C16	113.9°	109.2°
C17	C18	H18	109.3°	109.5°
C18	C17	H17	106.6°	109.6°
O6	C17	C16	110.5°	109.5°
O6	C17	H17	110.3°	109.5°
C17	O6	H6	109.5°	114.0°
C17	C16	C19	108.6°	109.5°
C17	C16	O5	109.8°	109.5°
C17	C16	C15	111.2°	109.0°
C16	C17	H17	105.7°	109.6°
C19	C16	O5	105.8°	109.6°
C19	C16	C15	111.4°	109.5°
C16	C19	H191	109.5°	109.5°
C16	C19	H192	109.5°	109.5°
C16	C19	H193	109.4°	109.5°
O5	C16	C15	110.0°	109.6°
C16	O5	H5	109.5°	114.0°
C16	C15	H151	108.2°	109.6°
C16	C15	H152	107.4°	109.5°
C31	C4	C5	114.1°	112.4°
C31	C4	H4	104.8°	106.6°
C4	C31	H311	109.5°	109.5°
C4	C31	H312	109.5°	109.5°
C4	C31	H313	109.5°	109.5°
C4	C5	C6	114.6°	113.7°
C4	C5	O7	112.6°	111.1°
C5	C4	H4	106.0°	106.4°
C4	C5	HB	102.4°	107.2°
C6	C5	O7	105.7°	111.6°
C5	C6	C32	110.1°	107.5°
C5	C6	O10	109.7°	111.6°
C5	C6	C7	107.0°	112.2°
C6	C5	HB	109.8°	106.2°
C5	O7	C22	114.2°	114.1°
O7	C5	HB	111.9°	106.7°
C32	C6	O10	105.5°	107.0°
C32	C6	C7	110.3°	107.4°
C6	C32	H321	109.5°	109.5°
C6	C32	H322	109.5°	109.4°
C6	C32	H323	109.5°	109.5°
O10	C6	C7	114.3°	110.9°
C6	O10	HC	109.5°	114.0°
C6	C7	C8	118.3°	112.1°
C6	C7	H7C1	106.6°	108.0°
C6	C7	H7C2	104.6°	112.0°
C7	C8	C33	110.4°	108.6°
C7	C8	C9	112.1°	109.3°
C8	C7	H7C1	106.6°	107.7°
C8	C7	H7C2	104.6°	109.8°
C7	C8	H8	107.2°	110.1°
C33	C8	C9	110.3°	108.5°
C33	C8	H8	109.2°	109.2°
C8	C33	H331	109.5°	109.5°
C8	C33	H332	109.5°	109.5°
C8	C33	H333	109.5°	109.4°
C8	C9	O11	118.1°	118.9°
C9	C8	H8	107.4°	111.0°
O7	C22	O9	112.5°	109.5°
O7	C22	C23	105.5°	109.5°
O7	C22	H22	109.8°	109.5°
O9	C22	C23	108.3°	109.4°
C22	O9	C26	112.3°	114.1°
O9	C22	H22	107.0°	109.5°
C22	C23	C24	109.5°	109.2°
C22	C23	O8	109.8°	109.5°
C23	C22	H22	113.9°	109.5°
C22	C23	H23	109.3°	109.5°
O9	C26	C27	107.6°	109.5°
O9	C26	C25	111.1°	109.4°
O9	C26	H26	110.7°	109.5°
C27	C26	C25	112.4°	109.5°
C27	C26	H26	109.3°	109.5°
C26	C27	H271	109.5°	109.5°
C26	C27	H272	109.5°	109.5°
C26	C27	H273	109.4°	109.5°
C26	C25	C24	110.3°	109.1°
C25	C26	H26	105.7°	109.5°
C26	C25	H251	109.2°	109.5°
C26	C25	H252	109.0°	109.5°
C25	C24	N1	116.5°	109.5°
C25	C24	C23	109.9°	109.1°
C24	C25	H251	109.2°	109.6°
C24	C25	H252	109.0°	109.5°
C25	C24	H24	104.3°	109.6°
N1	C24	C23	110.1°	109.5°
C24	N1	C29	109.7°	111.0°
C24	N1	C28	116.6°	111.0°
N1	C24	H24	104.2°	109.6°
C24	C23	O8	109.6°	109.5°
C24	C23	H23	109.4°	109.6°
C23	C24	H24	111.6°	109.6°
C29	N1	C28	109.6°	111.0°
N1	C29	H291	109.5°	109.5°
N1	C29	H292	109.5°	109.5°
N1	C29	H293	109.5°	109.5°
N1	C28	H281	109.5°	109.4°
N1	C28	H282	109.5°	109.5°
N1	C28	H283	109.5°	109.4°
O8	C23	H23	109.1°	109.5°
C23	O8	HD	109.5°	114.0°
H361	C36	H362	111.2°	109.5°
H371	C37	H372	109.5°	109.4°
H371	C37	H373	109.5°	109.4°
H372	C37	H373	109.5°	109.5°
H351	C35	H352	109.5°	109.4°
H351	C35	H353	109.5°	109.4°
H352	C35	H353	109.5°	109.5°
H341	C34	H342	109.4°	109.4°
H341	C34	H343	109.4°	109.4°
H342	C34	H343	109.5°	109.5°
H301	C30	H302	109.5°	109.4°
H301	C30	H303	109.5°	109.5°
H302	C30	H303	109.5°	109.5°
H151	C15	H152	112.4°	109.6°
H211	C21	H212	109.5°	109.5°
H211	C21	H213	109.5°	109.5°
H212	C21	H213	109.5°	109.4°
H191	C19	H192	109.5°	109.5°
H191	C19	H193	109.5°	109.5°
H192	C19	H193	109.5°	109.5°
H311	C31	H312	109.4°	109.5°
H311	C31	H313	109.4°	109.4°
H312	C31	H313	109.5°	109.5°
H321	C32	H322	109.4°	109.5°
H321	C32	H323	109.4°	109.4°
H322	C32	H323	109.5°	109.5°
H7C1	C7	H7C2	116.7°	107.0°
H331	C33	H332	109.5°	109.5°
H331	C33	H333	109.4°	109.5°
H332	C33	H333	109.5°	109.5°
H271	C27	H272	109.5°	109.5°
H271	C27	H273	109.5°	109.4°
H272	C27	H273	109.5°	109.5°
H251	C25	H252	110.1°	109.6°
H291	C29	H292	109.5°	109.5°
H291	C29	H293	109.5°	109.5°
H292	C29	H293	109.5°	109.5°
H281	C28	H282	109.4°	109.4°
H281	C28	H283	109.4°	109.5°
H282	C28	H283	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	179.3°	178.4°
O1	C1	O2	C13	6.0°	8.3°
O1	C1	C2	C30	66.1°	169.8°
O1	C1	C2	C3	61.8°	61.8°
O1	C1	C2	H2	175.8°	55.8°
C1	O2	C13	C36	138.2°	16.5°
C1	O2	C13	C12	100.5°	110.9°
O2	C1	C2	C30	113.2°	8.7°
O2	C1	C2	C3	118.9°	119.7°
C1	O2	C13	H21	19.2°	134.4°
O2	C1	C2	H2	5.0°	122.7°
C2	C1	O2	C13	173.3°	170.1°
C1	C2	C30	C3	127.3°	130.0°
C1	C2	C30	H2	118.9°	113.7°
C1	C2	C3	H2	118.3°	116.8°
C1	C2	C3	O3	169.1°	81.6°
C1	C2	C3	C4	45.7°	44.4°
C1	C2	C30	H301	27.3°	60.0°
C1	C2	C30	H302	92.7°	180.0°
C1	C2	C30	H303	147.3°	60.0°
C1	C2	C3	H3	70.4°	164.9°
O2	C13	C36	C12	118.0°	127.3°
O2	C13	C36	H21	122.3°	118.4°
O2	C13	C12	H21	122.2°	115.9°
O2	C13	C36	C37	52.1°	65.0°
O2	C13	C12	C35	39.9°	155.8°
O2	C13	C12	C11	84.2°	83.4°
O2	C13	C36	H361	172.1°	175.0°
O2	C13	C36	H362	67.0°	55.0°
O2	C13	C12	H12	157.9°	39.3°
C36	C13	C12	H21	119.1°	114.7°
C13	C36	C37	H361	120.0°	120.0°
C13	C36	C37	H362	119.1°	120.0°
C36	C13	C12	C35	78.8°	74.7°
C36	C13	C12	C11	157.2°	46.0°
C13	C36	H361	H362	119.1°	120.0°
C36	C13	C12	H12	39.2°	168.7°
C13	C36	C37	H371	5.8°	180.0°
C13	C36	C37	H372	114.2°	60.1°
C13	C36	C37	H373	125.8°	60.0°
C12	C13	C36	C37	170.1°	167.7°
C13	C12	C35	C11	124.2°	121.8°
C13	C12	C35	H12	117.9°	114.8°
C13	C12	C11	H12	117.8°	119.2°
C13	C12	C11	O12	63.7°	40.4°
C13	C12	C11	C10	173.5°	163.9°
C12	C13	C36	H361	69.9°	47.7°
C12	C13	C36	H362	51.0°	72.3°
C13	C12	C35	H351	2.1°	60.0°
C13	C12	C35	H352	122.2°	180.0°
C13	C12	C35	H353	117.9°	60.0°
C13	C12	C11	H11	55.0°	77.0°
C37	C36	C13	H21	70.2°	53.4°
C37	C36	H361	H362	119.1°	120.0°
C36	C37	H371	H372	120.0°	120.0°
C36	C37	H371	H373	120.0°	120.1°
C36	C37	H372	H373	120.0°	120.1°
C35	C12	C11	H12	118.0°	121.3°
C35	C12	C11	O12	172.2°	160.0°
C35	C12	C11	C10	49.3°	76.5°
C35	C12	C13	H21	162.1°	40.0°
C12	C35	H351	H352	120.0°	120.0°
C12	C35	H351	H353	120.0°	120.0°
C12	C35	H352	H353	120.0°	120.1°
C35	C12	C11	H11	69.1°	42.6°
C12	C11	O12	C10	125.9°	126.9°
C12	C11	O12	H11	115.1°	118.1°
C12	C11	C10	H11	115.1°	120.0°
C12	C11	C10	C34	64.1°	24.8°
C12	C11	C10	C9	171.0°	148.6°
C11	C12	C13	H21	38.0°	160.7°
C11	C12	C35	H351	126.4°	178.2°
C11	C12	C35	H352	113.6°	58.2°
C11	C12	C35	H353	6.4°	61.8°
C12	C11	O12	HA	123.5°	179.9°
C12	C11	C10	H10	53.1°	95.1°
O12	C11	C10	H11	119.2°	115.4°
O12	C11	C10	C34	61.6°	99.8°
O12	C11	C10	C9	63.3°	23.9°
O12	C11	C12	H12	54.2°	78.8°
O12	C11	C10	H10	178.8°	140.3°
C11	C10	C34	C9	123.1°	123.0°
C11	C10	C34	H10	119.2°	119.8°
C11	C10	C9	H10	119.3°	116.7°
C11	C10	C9	C8	33.4°	93.7°
C11	C10	C9	O11	143.4°	86.3°
C10	C11	C12	H12	68.7°	44.7°
C10	C11	O12	HA	2.4°	53.1°
C11	C10	C34	H341	23.9°	60.0°
C11	C10	C34	H342	96.1°	180.0°
C11	C10	C34	H343	143.9°	60.0°
C34	C10	C9	H10	117.1°	117.6°
C34	C10	C9	C8	157.0°	32.0°
C34	C10	C9	O11	19.8°	148.0°
C34	C10	C11	H11	179.3°	144.9°
C10	C34	H341	H342	120.0°	120.0°
C10	C34	H341	H343	120.0°	120.1°
C10	C34	H342	H343	120.0°	120.1°
C10	C9	C8	C7	69.8°	129.7°
C10	C9	C8	C33	166.7°	112.0°
C10	C9	C8	O11	176.8°	180.0°
C9	C10	C11	H11	55.9°	91.4°
C9	C10	C34	H341	147.0°	63.0°
C9	C10	C34	H342	27.1°	57.0°
C9	C10	C34	H343	93.0°	177.0°
C10	C9	C8	H8	47.8°	8.1°
C30	C2	C3	H2	117.3°	115.6°
C30	C2	C3	O3	66.5°	150.8°
C30	C2	C3	C4	170.1°	83.2°
C2	C30	H301	H302	120.0°	120.0°
C2	C30	H301	H303	120.0°	120.0°
C2	C30	H302	H303	120.0°	120.0°
C30	C2	C3	H3	54.0°	37.3°
C2	C3	O3	C4	123.9°	130.9°
C2	C3	O3	H3	119.9°	114.8°
C2	C3	C4	H3	119.5°	120.8°
C2	C3	O3	C14	139.2°	76.5°
C2	C3	C4	C31	80.0°	18.2°
C2	C3	C4	C5	151.1°	109.5°
C3	C2	C30	H301	100.0°	170.0°
C3	C2	C30	H302	140.0°	50.0°
C3	C2	C30	H303	20.0°	70.0°
C2	C3	C4	H4	35.1°	135.2°
O3	C3	C4	H3	120.2°	113.4°
C3	O3	C14	O4	115.7°	61.0°
C3	O3	C14	C15	121.2°	179.1°
O3	C3	C4	C31	40.3°	144.0°
O3	C3	C4	C5	88.6°	16.3°
O3	C3	C2	H2	50.9°	35.2°
O3	C3	C4	H4	155.4°	99.1°
C3	O3	C14	H14	3.9°	59.1°
C4	C3	O3	C14	96.8°	152.6°
C3	C4	C31	C5	127.2°	126.9°
C3	C4	C31	H4	117.3°	116.9°
C3	C4	C5	H4	117.5°	115.4°
C3	C4	C5	C6	92.0°	171.8°
C3	C4	C5	O7	147.2°	61.5°
C4	C3	C2	H2	72.5°	161.2°
C3	C4	C31	H311	0.9°	60.0°
C3	C4	C31	H312	120.9°	180.0°
C3	C4	C31	H313	119.0°	60.0°
C3	C4	C5	HB	26.8°	54.7°
O3	C14	O4	C15	122.1°	119.9°
O3	C14	O4	H14	120.7°	120.1°
O3	C14	C15	H14	120.5°	120.0°
O3	C14	O4	C18	65.9°	58.8°
O3	C14	C15	C16	76.2°	62.3°
C14	O3	C3	H3	19.4°	38.3°
O3	C14	C15	H151	163.8°	177.7°
O3	C14	C15	H152	42.2°	57.6°
O4	C14	C15	H14	119.4°	120.0°
C14	O4	C18	C21	179.3°	178.8°
C14	O4	C18	C17	60.9°	61.2°
O4	C14	C15	C16	43.9°	57.6°
O4	C14	C15	H151	76.1°	62.3°
O4	C14	C15	H152	162.3°	177.5°
C14	O4	C18	H18	59.3°	58.9°
C15	C14	O4	C18	56.2°	61.1°
C14	C15	C16	C17	40.9°	57.0°
C14	C15	C16	C19	162.2°	176.8°
C14	C15	C16	O5	80.9°	62.9°
C14	C15	C16	H151	120.0°	119.9°
C14	C15	C16	H152	118.4°	119.9°
C14	C15	H151	H152	118.5°	120.1°
O4	C18	C21	C17	117.6°	120.0°
O4	C18	C21	H18	122.1°	120.0°
O4	C18	C17	H18	122.1°	120.0°
O4	C18	C17	O6	179.7°	177.5°
O4	C18	C17	C16	55.9°	57.6°
C18	O4	C14	H14	173.5°	178.9°
O4	C18	C21	H211	147.3°	60.0°
O4	C18	C21	H212	92.7°	180.0°
O4	C18	C21	H213	27.3°	60.0°
O4	C18	C17	H17	60.3°	62.4°
C21	C18	C17	H18	120.1°	120.0°
C21	C18	C17	O6	61.9°	62.5°
C21	C18	C17	C16	173.7°	177.6°
C18	C21	H211	H212	120.0°	120.0°
C18	C21	H211	H213	120.0°	120.0°
C18	C21	H212	H213	120.0°	120.0°
C21	C18	C17	H17	57.5°	57.6°
C18	C17	O6	C16	126.4°	119.7°
C18	C17	O6	H17	117.1°	120.2°
C18	C17	C16	H17	116.7°	120.0°
C18	C17	C16	C19	171.1°	176.8°
C18	C17	C16	O5	73.7°	63.0°
C18	C17	C16	C15	48.2°	57.0°
C17	C18	C21	H211	29.7°	59.9°
C17	C18	C21	H212	149.7°	60.1°
C17	C18	C21	H213	90.2°	179.9°
C18	C17	O6	H6	148.9°	60.0°
O6	C17	C16	H17	119.4°	120.1°
O6	C17	C16	C19	64.9°	63.2°
O6	C17	C16	O5	50.2°	57.0°
O6	C17	C16	C15	172.2°	176.9°
O6	C17	C18	H18	58.2°	57.5°
C17	C16	C19	O5	117.8°	120.2°
C17	C16	C19	C15	122.8°	119.5°
C17	C16	O5	C15	122.7°	119.6°
C17	C16	C15	H151	79.1°	62.9°
C17	C16	C15	H152	159.2°	176.9°
C16	C17	C18	H18	66.1°	62.4°
C16	C17	O6	H6	22.6°	179.7°
C17	C16	C19	H191	59.0°	60.0°
C17	C16	C19	H192	179.0°	180.0°
C17	C16	C19	H193	61.0°	60.0°
C17	C16	O5	H5	127.2°	170.4°
C19	C16	O5	C15	120.4°	120.3°
C19	C16	C15	H151	42.1°	56.9°
C19	C16	C15	H152	79.5°	63.3°
C19	C16	C17	H17	54.4°	56.9°
C16	C19	H191	H192	120.0°	120.0°
C16	C19	H191	H193	120.0°	120.0°
C16	C19	H192	H193	120.0°	120.0°
C19	C16	O5	H5	10.2°	50.2°
O5	C16	C15	H151	159.1°	177.2°
O5	C16	C15	H152	37.4°	57.0°
O5	C16	C17	H17	169.6°	177.1°
O5	C16	C19	H191	176.8°	179.8°
O5	C16	C19	H192	63.2°	59.8°
O5	C16	C19	H193	56.8°	60.2°
C16	C15	C14	H14	163.3°	177.6°
C16	C15	H151	H152	118.5°	120.2°
C15	C16	C17	H17	68.5°	63.0°
C15	C16	C19	H191	63.8°	59.5°
C15	C16	C19	H192	56.2°	60.5°
C15	C16	C19	H193	176.2°	179.5°
C15	C16	O5	H5	110.1°	70.0°
C31	C4	C5	H4	114.8°	116.3°
C31	C4	C5	C6	140.3°	59.9°
C31	C4	C5	O7	19.5°	66.9°
C31	C4	C3	H3	160.5°	102.6°
C4	C31	H311	H312	120.0°	120.0°
C4	C31	H311	H313	120.0°	120.0°
C4	C31	H312	H313	120.0°	120.0°
C31	C4	C5	HB	100.9°	177.0°
C4	C5	C6	O7	124.6°	126.5°
C4	C5	C6	HB	114.6°	117.6°
C4	C5	O7	HB	114.7°	116.5°
C4	C5	C6	C32	164.4°	125.4°
C4	C5	C6	O10	48.8°	8.4°
C4	C5	C6	C7	75.8°	116.7°
C4	C5	O7	C22	105.7°	155.0°
C5	C4	C3	H3	31.6°	129.7°
C5	C4	C31	H311	128.1°	173.1°
C5	C4	C31	H312	111.9°	53.1°
C5	C4	C31	H313	8.1°	66.9°
C6	C5	O7	HB	119.5°	115.6°
C5	C6	C32	O10	118.3°	120.0°
C5	C6	C32	C7	117.8°	120.9°
C5	C6	O10	C7	120.1°	125.9°
C5	C6	C7	C8	148.4°	104.3°
C6	C5	O7	C22	128.5°	77.0°
C6	C5	C4	H4	25.5°	56.4°
C5	C6	C32	H321	109.2°	60.0°
C5	C6	C32	H322	130.8°	180.0°
C5	C6	C32	H323	10.8°	60.0°
C5	C6	O10	HC	169.7°	180.0°
C5	C6	C7	H7C1	91.6°	137.2°
C5	C6	C7	H7C2	32.6°	19.6°
O7	C5	C6	C32	71.0°	108.1°
O7	C5	C6	O10	173.3°	134.9°
O7	C5	C6	C7	48.8°	9.8°
C5	O7	C22	O9	64.1°	55.0°
C5	O7	C22	C23	178.1°	174.9°
O7	C5	C4	H4	95.3°	176.8°
C5	O7	C22	H22	55.0°	65.0°
C32	C6	O10	C7	121.3°	116.8°
C32	C6	C7	C8	91.8°	137.8°
C32	C6	C5	HB	49.8°	7.8°
C6	C32	H321	H322	120.0°	120.0°
C6	C32	H321	H323	120.0°	120.0°
C6	C32	H322	H323	120.0°	120.0°
C32	C6	O10	HC	71.7°	62.7°
C32	C6	C7	H7C1	28.1°	19.3°
C32	C6	C7	H7C2	152.3°	98.3°
O10	C6	C7	C8	26.8°	21.3°
O10	C6	C5	HB	65.8°	109.2°
O10	C6	C32	H321	132.5°	180.0°
O10	C6	C32	H322	12.5°	60.0°
O10	C6	C32	H323	107.6°	60.0°
O10	C6	C7	H7C1	146.8°	97.2°
O10	C6	C7	H7C2	89.1°	145.1°
C6	C7	C8	H7C1	120.0°	118.7°
C6	C7	C8	H7C2	115.8°	125.1°
C6	C7	C8	C33	79.8°	97.0°
C6	C7	C8	C9	156.7°	144.8°
C7	C6	C5	HB	169.6°	125.7°
C7	C6	C32	H321	8.6°	60.9°
C7	C6	C32	H322	111.4°	59.1°
C7	C6	C32	H323	128.5°	179.1°
C7	C6	O10	HC	49.6°	54.1°
C6	C7	H7C1	H7C2	116.4°	120.8°
C6	C7	C8	H8	39.1°	22.6°
C7	C8	C33	C9	124.5°	118.7°
C7	C8	C33	H8	117.7°	120.1°
C7	C8	C9	H8	117.6°	121.6°
C7	C8	C9	O11	113.4°	50.4°
C8	C7	H7C1	H7C2	116.4°	118.0°
C7	C8	C33	H331	113.9°	60.0°
C7	C8	C33	H332	126.1°	180.0°
C7	C8	C33	H333	6.1°	60.0°
C33	C8	C9	H8	118.9°	120.1°
C33	C8	C9	O11	10.1°	67.9°
C33	C8	C7	H7C1	40.1°	21.7°
C33	C8	C7	H7C2	164.3°	137.9°
C8	C33	H331	H332	120.0°	120.0°
C8	C33	H331	H333	120.0°	120.0°
C8	C33	H332	H333	120.0°	120.0°
C8	C9	C10	H10	85.9°	149.6°
C9	C8	C7	H7C1	83.3°	96.5°
C9	C8	C7	H7C2	40.9°	19.7°
C9	C8	C33	H331	10.6°	58.7°
C9	C8	C33	H332	109.4°	61.3°
C9	C8	C33	H333	130.5°	178.7°
O11	C9	C10	H10	97.3°	30.4°
O11	C9	C8	H8	129.0°	172.0°
O7	C22	O9	C23	116.2°	120.0°
O7	C22	O9	H22	120.7°	120.0°
O7	C22	C23	H22	120.4°	120.0°
O7	C22	O9	C26	178.6°	178.8°
O7	C22	C23	C24	177.9°	177.6°
O7	C22	C23	O8	57.5°	62.5°
C22	O7	C5	HB	9.0°	38.6°
O7	C22	C23	H23	62.2°	57.7°
O9	C22	C23	H22	118.9°	120.0°
C22	O9	C26	C27	174.9°	178.9°
C22	O9	C26	C25	61.6°	61.2°
O9	C22	C23	C24	61.4°	57.6°
O9	C22	C23	O8	178.2°	177.5°
O9	C22	C23	H23	58.5°	62.4°
C22	O9	C26	H26	55.5°	58.8°
C23	C22	O9	C26	65.2°	61.2°
C22	C23	C24	C25	55.1°	57.0°
C22	C23	C24	N1	175.3°	176.8°
C22	C23	C24	O8	120.5°	119.9°
C22	C23	C24	H23	119.8°	119.9°
C22	C23	O8	H23	119.8°	120.1°
C22	C23	C24	H24	60.1°	63.0°
C22	C23	O8	HD	29.2°	92.8°
O9	C26	C27	C25	122.6°	119.9°
O9	C26	C27	H26	120.3°	120.0°
O9	C26	C25	H26	120.2°	120.0°
O9	C26	C25	C24	53.0°	57.6°
C26	O9	C22	H22	57.9°	58.8°
O9	C26	C27	H271	88.9°	60.0°
O9	C26	C27	H272	31.1°	180.0°
O9	C26	C27	H273	151.1°	60.0°
O9	C26	C25	H251	67.0°	62.3°
O9	C26	C25	H252	172.6°	177.5°
C27	C26	C25	H26	119.2°	120.0°
C27	C26	C25	C24	173.6°	177.6°
C26	C27	H271	H272	120.0°	120.0°
C26	C27	H271	H273	120.0°	120.0°
C26	C27	H272	H273	120.0°	120.0°
C27	C26	C25	H251	53.7°	57.7°
C27	C26	C25	H252	66.7°	62.5°
C26	C25	C24	H251	120.0°	119.9°
C26	C25	C24	H252	119.7°	119.9°
C26	C25	C24	N1	176.7°	176.8°
C26	C25	C24	C23	50.7°	57.0°
C25	C26	C27	H271	33.7°	179.9°
C25	C26	C27	H272	153.7°	60.0°
C25	C26	C27	H273	86.2°	60.0°
C26	C25	H251	H252	119.7°	120.2°
C26	C25	C24	H24	69.1°	63.0°
C25	C24	N1	C23	125.9°	119.6°
C25	C24	N1	H24	114.3°	120.2°
C25	C24	C23	H24	115.3°	119.9°
C25	C24	N1	C29	64.3°	55.5°
C25	C24	N1	C28	61.1°	68.5°
C25	C24	C23	O8	175.6°	176.9°
C25	C24	C23	H23	64.7°	62.9°
C24	C25	C26	H26	67.2°	62.4°
C24	C25	H251	H252	119.7°	120.2°
N1	C24	C23	H24	115.1°	120.2°
C24	N1	C29	C28	129.3°	124.0°
N1	C24	C23	O8	54.8°	63.3°
N1	C24	C23	H23	64.9°	56.9°
N1	C24	C25	H251	56.7°	57.0°
N1	C24	C25	H252	63.6°	63.3°
C24	N1	C29	H291	21.8°	60.1°
C24	N1	C29	H292	141.8°	180.0°
C24	N1	C29	H293	98.2°	60.0°
C24	N1	C28	H281	162.5°	64.1°
C24	N1	C28	H282	77.5°	176.0°
C24	N1	C28	H283	42.5°	55.9°
C23	C24	N1	C29	169.8°	64.1°
C23	C24	N1	C28	64.8°	171.9°
C24	C23	O8	H23	119.9°	120.2°
C24	C23	C22	H22	57.5°	62.4°
C23	C24	C25	H251	69.3°	62.9°
C23	C24	C25	H252	170.3°	176.9°
C24	C23	O8	HD	91.1°	147.5°
C29	N1	C24	H24	50.0°	175.6°
N1	C29	H291	H292	120.0°	120.0°
N1	C29	H291	H293	120.0°	120.0°
N1	C29	H292	H293	120.0°	120.0°
C29	N1	C28	H281	37.1°	171.9°
C29	N1	C28	H282	157.1°	52.0°
C29	N1	C28	H283	82.9°	68.1°
C28	N1	C24	H24	175.4°	51.7°
C28	N1	C29	H291	151.1°	63.9°
C28	N1	C29	H292	88.9°	56.0°
C28	N1	C29	H293	31.1°	176.0°
N1	C28	H281	H282	120.0°	120.0°
N1	C28	H281	H283	120.0°	120.0°
N1	C28	H282	H283	120.0°	120.0°
O8	C23	C22	H22	62.9°	57.5°
O8	C23	C24	H24	60.4°	57.0°
H21	C13	C36	H361	49.8°	66.6°
H21	C13	C36	H362	170.8°	173.4°
H21	C13	C12	H12	79.9°	76.5°
H2	C2	C30	H301	146.2°	53.7°
H2	C2	C30	H302	26.2°	66.3°
H2	C2	C30	H303	93.8°	173.7°
H2	C2	C3	H3	171.3°	78.3°
H361	C36	C37	H371	125.8°	60.0°
H361	C36	C37	H372	5.8°	179.9°
H361	C36	C37	H373	114.2°	60.0°
H362	C36	C37	H371	113.3°	60.0°
H362	C36	C37	H372	126.7°	59.9°
H362	C36	C37	H373	6.7°	180.0°
H12	C12	C35	H351	115.7°	54.8°
H12	C12	C35	H352	4.3°	65.1°
H12	C12	C35	H353	124.3°	174.8°
H12	C12	C11	H11	172.9°	163.8°
H371	C37	H372	H373	120.0°	119.9°
H351	C35	H352	H353	120.0°	120.0°
H11	C11	O12	HA	121.3°	61.9°
H11	C11	C10	H10	62.0°	24.9°
H10	C10	C34	H341	95.3°	179.8°
H10	C10	C34	H342	144.7°	60.2°
H10	C10	C34	H343	24.7°	59.8°
H341	C34	H342	H343	119.9°	119.9°
H301	C30	H302	H303	120.0°	120.0°
H3	C3	C4	H4	84.4°	14.4°
H4	C4	C31	H311	116.4°	56.9°
H4	C4	C31	H312	3.6°	63.1°
H4	C4	C31	H313	123.7°	176.9°
H4	C4	C5	HB	144.3°	60.6°
H14	C14	C15	H151	43.3°	57.7°
H14	C14	C15	H152	78.3°	62.5°
H18	C18	C21	H211	90.6°	180.0°
H18	C18	C21	H212	29.3°	60.0°
H18	C18	C21	H213	149.4°	60.0°
H18	C18	C17	H17	177.7°	177.7°
H211	C21	H212	H213	120.0°	120.0°
H17	C17	O6	H6	94.0°	60.2°
H191	C19	H192	H193	120.0°	120.0°
H311	C31	H312	H313	119.9°	120.0°
H321	C32	H322	H323	119.9°	120.0°
H7C1	C7	C8	H8	159.0°	141.3°
H7C2	C7	C8	H8	76.8°	102.5°
H8	C8	C33	H331	128.4°	179.9°
H8	C8	C33	H332	8.4°	59.9°
H8	C8	C33	H333	111.6°	60.1°
H331	C33	H332	H333	119.9°	120.1°
H22	C22	C23	H23	177.4°	177.7°
H23	C23	C24	H24	179.9°	177.1°
H23	C23	O8	HD	149.0°	27.3°
H26	C26	C27	H271	150.8°	60.0°
H26	C26	C27	H272	89.2°	60.0°
H26	C26	C27	H273	30.8°	180.0°
H26	C26	C25	H251	172.8°	177.7°
H26	C26	C25	H252	52.4°	57.5°
H271	C27	H272	H273	120.0°	119.9°
H251	C25	C24	H24	170.9°	177.2°
H252	C25	C24	H24	50.6°	56.9°
H291	C29	H292	H293	120.0°	120.0°
H281	C28	H282	H283	120.0°	120.0°

Definition date:	2008-04-15
Last modified:	2018-11-12
Release status:	REL
Processing site:	EBI
Derived from:	2JJO