CPO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	0.00Å	1.53Å
C1	O1	doub	0.00Å	1.21Å
C1	N3	sing	0.00Å	1.38Å
C2	C3	sing	0.00Å	1.58Å
C2	N2	sing	0.00Å	1.42Å
C2	H21	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.57Å
C3	H31	sing	0.00Å	1.10Å
C3	H32	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.52Å
C4	H41	sing	0.00Å	1.10Å
C4	H42	sing	0.00Å	1.10Å
C5	N1	sing	0.00Å	1.44Å
C5	H51	sing	0.00Å	1.10Å
C5	H52	sing	0.00Å	1.10Å
N1	C6	sing	0.00Å	1.32Å
N1	O2	sing	0.00Å	1.35Å
C6	O3	doub	0.00Å	1.20Å
C6	C16	sing	0.00Å	1.59Å
N2	C7	sing	0.00Å	1.37Å
N2	HN21	sing	0.00Å	1.00Å
O2	FE	sing	0.00Å	2.02Å
O3	FE	sing	0.00Å	2.05Å
C7	C8	sing	0.00Å	1.59Å
C7	O4	doub	0.00Å	1.22Å
C8	C9	sing	0.00Å	1.53Å
C8	N3	sing	0.00Å	1.41Å
C8	H81	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.53Å
C9	H91	sing	0.00Å	1.10Å
C9	H92	sing	0.00Å	1.10Å
C10	C11	sing	0.00Å	1.55Å
C10	H101	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C11	N4	sing	0.00Å	1.48Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.10Å
N3	HN31	sing	0.00Å	1.00Å
C12	C13	sing	0.00Å	1.58Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C12	H123	sing	0.00Å	1.10Å
C13	C14	sing	0.00Å	1.56Å
C13	C16	doub	0.00Å	1.47Å
C14	C15	sing	0.00Å	1.53Å
C14	H141	sing	0.00Å	1.10Å
C14	H142	sing	0.00Å	1.10Å
C15	O5	sing	0.00Å	1.36Å
C15	H151	sing	0.00Å	1.10Å
C15	H152	sing	0.00Å	1.10Å
O5	H05	sing	0.00Å	0.95Å
C16	H161	sing	0.00Å	1.08Å
FE	O7	sing	0.00Å	1.98Å
FE	O8	sing	0.00Å	2.05Å
FE	O11	sing	0.00Å	1.98Å
FE	O12	sing	0.00Å	2.00Å
N4	C17	sing	0.00Å	1.33Å
N4	O7	sing	0.00Å	1.31Å
C17	C18	sing	0.00Å	1.57Å
C17	O8	doub	0.00Å	1.29Å
C18	C19	doub	0.00Å	1.35Å
C18	H181	sing	0.00Å	1.08Å
C19	C20	sing	0.00Å	1.52Å
C19	CJ'	sing	0.00Å	36.92Å
C20	C21	sing	0.00Å	1.56Å
C20	H201	sing	0.00Å	1.10Å
C20	H202	sing	0.00Å	1.10Å
C21	O6	sing	0.00Å	1.46Å
C21	H211	sing	0.00Å	1.10Å
C21	H212	sing	0.00Å	1.10Å
O6	C23	sing	0.00Å	1.46Å
C23	C24	sing	0.00Å	1.57Å
C23	O10	doub	0.00Å	1.26Å
C24	C25	sing	0.00Å	1.54Å
C24	N6	sing	0.00Å	1.38Å
C24	H241	sing	0.00Å	1.10Å
C25	C26	sing	0.00Å	1.55Å
C25	H251	sing	0.00Å	1.10Å
C25	H252	sing	0.00Å	1.10Å
C26	C27	sing	0.00Å	1.54Å
C26	H261	sing	0.00Å	1.10Å
C26	H262	sing	0.00Å	1.10Å
C27	N5	sing	0.00Å	1.38Å
C27	H271	sing	0.00Å	1.10Å
C27	H272	sing	0.00Å	1.10Å
N5	C28	sing	0.00Å	1.28Å
N5	O11	sing	0.00Å	1.35Å
C28	C29	sing	0.00Å	1.60Å
C28	O12	doub	0.00Å	1.23Å
C29	C30	doub	0.00Å	1.55Å
C29	H292	sing	0.00Å	1.08Å
C30	C31	sing	0.00Å	1.60Å
C30	C33	sing	0.00Å	1.44Å
C31	C32	sing	0.00Å	1.57Å
C31	H311	sing	0.00Å	1.10Å
C31	H312	sing	0.00Å	1.10Å
C32	O9	sing	0.00Å	1.44Å
C32	H321	sing	0.00Å	1.10Å
C32	H322	sing	0.00Å	1.10Å
O9	H09	sing	0.00Å	0.95Å
C33	H331	sing	0.00Å	1.10Å
C33	H332	sing	0.00Å	1.10Å
C33	H333	sing	0.00Å	1.10Å
N6	C34	sing	0.00Å	1.36Å
N6	HN61	sing	0.00Å	1.00Å
C34	O13	doub	0.00Å	1.29Å
C34	C35	sing	0.00Å	1.54Å
C35	H351	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C35	H353	sing	0.00Å	1.10Å
CJ'	H191	sing	0.00Å	0.00Å
CJ'	H192	sing	0.00Å	0.00Å
CJ'	H193	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O1	120.6°	90.0°
C2	C1	N3	119.8°	90.0°
C1	C2	C3	112.3°	90.0°
C1	C2	N2	113.7°	90.0°
C1	C2	H21	102.6°	90.0°
O1	C1	N3	119.5°	90.0°
C1	N3	C8	128.2°	90.0°
C1	N3	HN31	115.9°	90.0°
C3	C2	N2	102.5°	90.0°
C3	C2	H21	113.8°	90.0°
C2	C3	C4	123.3°	90.0°
C2	C3	H31	105.1°	90.0°
C2	C3	H32	105.1°	90.0°
N2	C2	H21	112.4°	90.0°
C2	N2	C7	127.1°	90.0°
C2	N2	HN21	116.4°	90.0°
C4	C3	H31	105.1°	90.0°
C4	C3	H32	105.1°	90.0°
C3	C4	C5	119.3°	90.0°
C3	C4	H41	106.3°	90.0°
C3	C4	H42	106.3°	90.0°
H31	C3	H32	113.4°	90.0°
C5	C4	H41	106.3°	90.0°
C5	C4	H42	106.3°	90.0°
C4	C5	N1	108.6°	90.0°
C4	C5	H51	109.8°	90.0°
C4	C5	H52	109.7°	90.0°
H41	C4	H42	112.4°	90.0°
N1	C5	H51	109.8°	90.0°
N1	C5	H52	109.8°	90.0°
C5	N1	C6	120.7°	90.0°
C5	N1	O2	120.2°	90.0°
H51	C5	H52	109.2°	90.0°
C6	N1	O2	119.1°	90.0°
N1	C6	O3	119.2°	90.0°
N1	C6	C16	120.6°	90.0°
N1	O2	FE	108.9°	90.0°
O3	C6	C16	120.1°	90.0°
C6	O3	FE	113.4°	90.0°
C6	C16	C13	123.3°	90.0°
C6	C16	H161	118.4°	90.0°
C7	N2	HN21	116.4°	90.0°
N2	C7	C8	119.4°	90.0°
N2	C7	O4	122.4°	90.0°
O2	FE	O3	78.3°	90.0°
O2	FE	O7	99.4°	90.0°
O2	FE	O8	93.0°	90.0°
O2	FE	O11	83.6°	90.0°
O2	FE	O12	160.7°	90.0°
O3	FE	O7	86.4°	90.0°
O3	FE	O8	162.4°	90.0°
O3	FE	O11	105.5°	90.0°
O3	FE	O12	97.9°	90.0°
C8	C7	O4	118.2°	90.0°
C7	C8	C9	97.4°	90.0°
C7	C8	N3	111.6°	90.0°
C7	C8	H81	113.1°	90.0°
C9	C8	N3	100.4°	90.0°
C9	C8	H81	122.6°	90.0°
C8	C9	C10	122.6°	90.0°
C8	C9	H91	105.3°	90.0°
C8	C9	H92	105.3°	90.0°
N3	C8	H81	110.6°	90.0°
C8	N3	HN31	115.9°	90.0°
C10	C9	H91	105.3°	90.0°
C10	C9	H92	105.3°	90.0°
C9	C10	C11	117.1°	90.0°
C9	C10	H101	107.0°	90.0°
C9	C10	H102	107.0°	90.0°
H91	C9	H92	113.3°	90.0°
C11	C10	H101	107.0°	90.0°
C11	C10	H102	107.0°	90.0°
C10	C11	N4	120.9°	90.0°
C10	C11	H111	105.8°	90.0°
C10	C11	H112	105.8°	90.0°
H101	C10	H102	111.9°	90.0°
N4	C11	H111	105.8°	90.0°
N4	C11	H112	105.8°	90.0°
C11	N4	C17	120.7°	90.0°
C11	N4	O7	120.1°	90.0°
H111	C11	H112	112.9°	90.0°
C13	C12	H121	109.5°	90.0°
C13	C12	H122	109.5°	90.0°
C13	C12	H123	109.5°	90.0°
C12	C13	C14	119.9°	90.0°
C12	C13	C16	120.1°	90.0°
H121	C12	H122	109.5°	90.0°
H121	C12	H123	109.4°	90.0°
H122	C12	H123	109.5°	90.0°
C14	C13	C16	120.0°	90.0°
C13	C14	C15	105.9°	90.0°
C13	C14	H141	110.7°	90.0°
C13	C14	H142	110.7°	90.0°
C13	C16	H161	118.4°	90.0°
C15	C14	H141	110.7°	90.0°
C15	C14	H142	110.7°	90.0°
C14	C15	O5	108.1°	90.0°
C14	C15	H151	109.9°	90.0°
C14	C15	H152	109.9°	90.0°
H141	C14	H142	108.2°	90.0°
O5	C15	H151	109.9°	90.0°
O5	C15	H152	109.9°	90.0°
C15	O5	H05	109.5°	90.0°
H151	C15	H152	109.0°	90.0°
O7	FE	O8	79.9°	90.0°
O7	FE	O11	168.1°	90.0°
O7	FE	O12	99.2°	90.0°
FE	O7	N4	111.5°	90.0°
O8	FE	O11	88.5°	90.0°
O8	FE	O12	95.2°	90.0°
FE	O8	C17	109.7°	90.0°
O11	FE	O12	79.2°	90.0°
FE	O11	N5	106.6°	90.0°
FE	O12	C28	110.8°	90.0°
C17	N4	O7	119.2°	90.0°
N4	C17	C18	120.7°	90.0°
N4	C17	O8	119.1°	90.0°
C18	C17	O8	120.2°	90.0°
C17	C18	C19	126.1°	90.0°
C17	C18	H181	116.9°	90.0°
C19	C18	H181	117.0°	90.0°
C18	C19	C20	120.0°	90.0°
C18	C19	CJ'	147.3°	90.0°
C20	C19	CJ'	84.5°	90.0°
C19	C20	C21	110.1°	90.0°
C19	C20	H201	109.3°	90.0°
C19	C20	H202	109.3°	90.0°
C19	CJ'	H191	90.0°	90.0°
C19	CJ'	H192	90.0°	90.0°
C19	CJ'	H193	90.0°	90.0°
C21	C20	H201	109.3°	90.0°
C21	C20	H202	109.3°	90.0°
C20	C21	O6	108.0°	90.0°
C20	C21	H211	109.9°	90.0°
C20	C21	H212	110.0°	90.0°
H201	C20	H202	109.7°	90.0°
O6	C21	H211	110.0°	90.0°
O6	C21	H212	110.0°	90.0°
C21	O6	C23	108.2°	90.0°
H211	C21	H212	109.0°	90.0°
O6	C23	C24	119.9°	90.0°
O6	C23	O10	120.0°	90.0°
C24	C23	O10	120.0°	90.0°
C23	C24	C25	112.5°	90.0°
C23	C24	N6	104.5°	90.0°
C23	C24	H241	108.9°	90.0°
C25	C24	N6	103.2°	90.0°
C25	C24	H241	110.1°	90.0°
C24	C25	C26	113.6°	90.0°
C24	C25	H251	108.1°	90.0°
C24	C25	H252	108.1°	90.0°
N6	C24	H241	117.5°	90.0°
C24	N6	C34	130.3°	90.0°
C24	N6	HN61	114.9°	90.0°
C26	C25	H251	108.1°	90.0°
C26	C25	H252	108.1°	90.0°
C25	C26	C27	110.9°	90.0°
C25	C26	H261	109.0°	90.0°
C25	C26	H262	109.0°	90.0°
H251	C25	H252	110.8°	90.0°
C27	C26	H261	109.0°	90.0°
C27	C26	H262	109.0°	90.0°
C26	C27	N5	120.7°	90.0°
C26	C27	H271	105.9°	90.0°
C26	C27	H272	105.9°	90.0°
H261	C26	H262	110.0°	90.0°
N5	C27	H271	105.9°	90.0°
N5	C27	H272	105.9°	90.0°
C27	N5	C28	120.7°	90.0°
C27	N5	O11	120.3°	90.0°
H271	C27	H272	112.8°	90.0°
C28	N5	O11	119.0°	90.0°
N5	C28	C29	120.8°	90.0°
N5	C28	O12	119.1°	90.0°
C29	C28	O12	120.1°	90.0°
C28	C29	C30	117.3°	90.0°
C28	C29	H292	121.3°	90.0°
C30	C29	H292	121.4°	90.0°
C29	C30	C31	115.7°	90.0°
C29	C30	C33	116.1°	90.0°
C31	C30	C33	118.6°	90.0°
C30	C31	C32	109.2°	90.0°
C30	C31	H311	109.5°	90.0°
C30	C31	H312	109.5°	90.0°
C30	C33	H331	109.5°	90.0°
C30	C33	H332	109.4°	90.0°
C30	C33	H333	109.5°	90.0°
C32	C31	H311	109.6°	90.0°
C32	C31	H312	109.6°	90.0°
C31	C32	O9	108.1°	90.0°
C31	C32	H321	109.9°	90.0°
C31	C32	H322	109.9°	90.0°
H311	C31	H312	109.4°	90.0°
O9	C32	H321	109.9°	90.0°
O9	C32	H322	109.9°	90.0°
C32	O9	H09	109.5°	90.0°
H321	C32	H322	109.0°	90.0°
H331	C33	H332	109.5°	90.0°
H331	C33	H333	109.5°	90.0°
H332	C33	H333	109.5°	90.0°
C34	N6	HN61	114.8°	90.0°
N6	C34	O13	120.0°	90.0°
N6	C34	C35	120.1°	90.0°
O13	C34	C35	119.9°	90.0°
C34	C35	H351	109.5°	90.0°
C34	C35	H352	109.5°	90.0°
C34	C35	H353	109.5°	90.0°
H351	C35	H352	109.4°	90.0°
H351	C35	H353	109.5°	90.0°
H352	C35	H353	109.5°	90.0°
H191	CJ'	H192	90.0°	90.0°
H191	CJ'	H193	90.0°	90.0°
H192	CJ'	H193	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O1	N3	179.6°	90.0°
C1	C2	C3	N2	122.4°	90.0°
C1	C2	C3	H21	116.0°	90.0°
C1	C2	N2	H21	116.0°	90.0°
C1	C2	C3	C4	1.2°	90.0°
C1	C2	C3	H31	121.2°	90.0°
C1	C2	C3	H32	118.8°	90.0°
C1	C2	N2	C7	1.0°	90.0°
C1	C2	N2	HN21	178.9°	90.0°
C2	C1	N3	C8	0.3°	90.0°
C2	C1	N3	HN31	179.7°	90.0°
O1	C1	C2	C3	65.0°	90.0°
O1	C1	C2	N2	179.1°	90.0°
O1	C1	C2	H21	57.5°	90.0°
O1	C1	N3	C8	179.9°	90.0°
O1	C1	N3	HN31	0.1°	90.0°
N3	C1	C2	C3	114.6°	90.0°
N3	C1	C2	N2	1.3°	90.0°
N3	C1	C2	H21	122.9°	90.0°
C1	N3	C8	C7	0.9°	90.0°
C1	N3	C8	C9	101.4°	90.0°
C1	N3	C8	HN31	180.0°	90.0°
C1	N3	C8	H81	127.7°	90.0°
C3	C2	N2	H21	122.5°	90.0°
C2	C3	C4	H31	120.0°	90.0°
C2	C3	C4	H32	120.0°	90.0°
C2	C3	H31	H32	114.3°	90.0°
C2	C3	C4	C5	170.0°	90.0°
C2	C3	C4	H41	50.0°	90.0°
C2	C3	C4	H42	70.0°	90.0°
C3	C2	N2	C7	120.4°	90.0°
C3	C2	N2	HN21	59.6°	90.0°
N2	C2	C3	C4	123.7°	90.0°
N2	C2	C3	H31	116.3°	90.0°
N2	C2	C3	H32	3.6°	90.0°
C2	N2	C7	HN21	180.0°	90.0°
C2	N2	C7	C8	0.2°	90.0°
C2	N2	C7	O4	179.7°	90.0°
H21	C2	C3	C4	114.8°	90.0°
H21	C2	C3	H31	5.2°	90.0°
H21	C2	C3	H32	125.2°	90.0°
H21	C2	N2	C7	117.0°	90.0°
H21	C2	N2	HN21	62.9°	90.0°
C4	C3	H31	H32	114.3°	90.0°
C3	C4	C5	H41	120.0°	90.0°
C3	C4	C5	H42	120.0°	90.0°
C3	C4	H41	H42	116.0°	90.0°
C3	C4	C5	N1	103.3°	90.0°
C3	C4	C5	H51	136.7°	90.0°
C3	C4	C5	H52	16.7°	90.0°
H31	C3	C4	C5	70.0°	90.0°
H31	C3	C4	H41	170.0°	90.0°
H31	C3	C4	H42	50.0°	90.0°
H32	C3	C4	C5	50.0°	90.0°
H32	C3	C4	H41	70.0°	90.0°
H32	C3	C4	H42	170.0°	90.0°
C5	C4	H41	H42	115.9°	90.0°
C4	C5	N1	H51	120.0°	90.0°
C4	C5	N1	H52	120.0°	90.0°
C4	C5	H51	H52	120.3°	90.0°
C4	C5	N1	C6	121.0°	90.0°
C4	C5	N1	O2	58.6°	90.0°
H41	C4	C5	N1	16.7°	90.0°
H41	C4	C5	H51	103.3°	90.0°
H41	C4	C5	H52	136.7°	90.0°
H42	C4	C5	N1	136.7°	90.0°
H42	C4	C5	H51	16.7°	90.0°
H42	C4	C5	H52	103.3°	90.0°
N1	C5	H51	H52	120.4°	90.0°
C5	N1	C6	O2	179.6°	90.0°
C5	N1	C6	O3	179.7°	90.0°
C5	N1	C6	C16	0.2°	90.0°
C5	N1	O2	FE	172.2°	90.0°
H51	C5	N1	C6	119.0°	90.0°
H51	C5	N1	O2	61.4°	90.0°
H52	C5	N1	C6	1.0°	90.0°
H52	C5	N1	O2	178.6°	90.0°
N1	C6	O3	C16	179.9°	90.0°
C6	N1	O2	FE	7.5°	90.0°
N1	C6	O3	FE	7.7°	90.0°
N1	C6	C16	C13	163.0°	90.0°
N1	C6	C16	H161	17.1°	90.0°
O2	N1	C6	O3	0.1°	90.0°
O2	N1	C6	C16	179.8°	90.0°
N1	O2	FE	O3	8.1°	90.0°
N1	O2	FE	O7	76.2°	90.0°
N1	O2	FE	O8	156.4°	90.0°
N1	O2	FE	O11	115.5°	90.0°
N1	O2	FE	O12	88.4°	90.0°
C6	O3	FE	O2	8.9°	90.0°
O3	C6	C16	C13	17.1°	90.0°
O3	C6	C16	H161	162.8°	90.0°
C6	O3	FE	O7	91.4°	90.0°
C6	O3	FE	O8	52.7°	90.0°
C6	O3	FE	O11	88.8°	90.0°
C6	O3	FE	O12	169.7°	90.0°
C16	C6	O3	FE	172.2°	90.0°
C6	C16	C13	C12	37.7°	90.0°
C6	C16	C13	C14	142.0°	90.0°
C6	C16	C13	H161	180.0°	90.0°
N2	C7	C8	O4	179.9°	90.0°
N2	C7	C8	C9	103.1°	90.0°
N2	C7	C8	N3	1.1°	90.0°
N2	C7	C8	H81	126.6°	90.0°
HN21	N2	C7	C8	179.8°	90.0°
HN21	N2	C7	O4	0.3°	90.0°
O2	FE	O3	O7	100.3°	90.0°
O2	FE	O3	O8	61.6°	90.0°
O2	FE	O3	O11	79.9°	90.0°
O2	FE	O3	O12	160.8°	90.0°
O2	FE	O7	O8	91.4°	90.0°
O2	FE	O7	O11	103.7°	90.0°
O2	FE	O7	O12	174.9°	90.0°
O2	FE	O8	O11	83.5°	90.0°
O2	FE	O8	O12	162.5°	90.0°
O2	FE	O11	O12	171.2°	90.0°
O2	FE	O7	N4	98.4°	90.0°
O2	FE	O8	C17	105.7°	90.0°
O2	FE	O11	N5	170.5°	90.0°
O2	FE	O12	C28	47.1°	90.0°
O3	FE	O7	O8	168.9°	90.0°
O3	FE	O7	O11	178.8°	90.0°
O3	FE	O7	O12	97.4°	90.0°
O3	FE	O8	O11	143.2°	90.0°
O3	FE	O8	O12	137.8°	90.0°
O3	FE	O11	O12	95.2°	90.0°
O3	FE	O7	N4	175.9°	90.0°
O3	FE	O8	C17	46.1°	90.0°
O3	FE	O11	N5	113.6°	90.0°
O3	FE	O12	C28	124.1°	90.0°
C7	C8	C9	N3	113.7°	90.0°
C7	C8	C9	H81	123.5°	90.0°
C7	C8	N3	H81	126.8°	90.0°
C7	C8	C9	C10	86.4°	90.0°
C7	C8	C9	H91	153.6°	90.0°
C7	C8	C9	H92	33.6°	90.0°
C7	C8	N3	HN31	179.1°	90.0°
O4	C7	C8	C9	77.0°	90.0°
O4	C7	C8	N3	178.7°	90.0°
O4	C7	C8	H81	53.2°	90.0°
C9	C8	N3	H81	130.9°	90.0°
C8	C9	C10	H91	120.0°	90.0°
C8	C9	C10	H92	120.0°	90.0°
C8	C9	H91	H92	114.6°	90.0°
C8	C9	C10	C11	175.7°	90.0°
C8	C9	C10	H101	55.8°	90.0°
C8	C9	C10	H102	64.3°	90.0°
C9	C8	N3	HN31	78.7°	90.0°
N3	C8	C9	C10	160.0°	90.0°
N3	C8	C9	H91	40.0°	90.0°
N3	C8	C9	H92	80.0°	90.0°
H81	C8	C9	C10	37.1°	90.0°
H81	C8	C9	H91	82.9°	90.0°
H81	C8	C9	H92	157.1°	90.0°
H81	C8	N3	HN31	52.2°	90.0°
C10	C9	H91	H92	114.6°	90.0°
C9	C10	C11	H101	120.0°	90.0°
C9	C10	C11	H102	120.0°	90.0°
C9	C10	H101	H102	116.9°	90.0°
C9	C10	C11	N4	0.4°	90.0°
C9	C10	C11	H111	120.4°	90.0°
C9	C10	C11	H112	119.6°	90.0°
H91	C9	C10	C11	64.3°	90.0°
H91	C9	C10	H101	175.8°	90.0°
H91	C9	C10	H102	55.8°	90.0°
H92	C9	C10	C11	55.7°	90.0°
H92	C9	C10	H101	64.3°	90.0°
H92	C9	C10	H102	175.7°	90.0°
C11	C10	H101	H102	116.9°	90.0°
C10	C11	N4	H111	120.0°	90.0°
C10	C11	N4	H112	120.0°	90.0°
C10	C11	H111	H112	115.3°	90.0°
C10	C11	N4	C17	94.1°	90.0°
C10	C11	N4	O7	85.6°	90.0°
H101	C10	C11	N4	119.6°	90.0°
H101	C10	C11	H111	0.4°	90.0°
H101	C10	C11	H112	120.4°	90.0°
H102	C10	C11	N4	120.4°	90.0°
H102	C10	C11	H111	119.6°	90.0°
H102	C10	C11	H112	0.4°	90.0°
N4	C11	H111	H112	115.3°	90.0°
C11	N4	O7	FE	173.7°	90.0°
C11	N4	C17	O7	179.7°	90.0°
C11	N4	C17	C18	1.3°	90.0°
C11	N4	C17	O8	179.8°	90.0°
H111	C11	N4	C17	145.9°	90.0°
H111	C11	N4	O7	34.4°	90.0°
H112	C11	N4	C17	25.9°	90.0°
H112	C11	N4	O7	154.4°	90.0°
C13	C12	H121	H122	120.0°	90.0°
C13	C12	H121	H123	120.0°	90.0°
C13	C12	H122	H123	120.0°	90.0°
C12	C13	C14	C16	179.7°	90.0°
C12	C13	C14	C15	76.7°	90.0°
C12	C13	C14	H141	43.3°	90.0°
C12	C13	C14	H142	163.3°	90.0°
C12	C13	C16	H161	142.2°	90.0°
H121	C12	H122	H123	120.0°	90.0°
H121	C12	C13	C14	180.0°	90.0°
H121	C12	C13	C16	0.3°	90.0°
H122	C12	C13	C14	60.0°	90.0°
H122	C12	C13	C16	119.8°	90.0°
H123	C12	C13	C14	60.0°	90.0°
H123	C12	C13	C16	120.3°	90.0°
C13	C14	C15	H141	120.0°	90.0°
C13	C14	C15	H142	120.0°	90.0°
C13	C14	H141	H142	121.4°	90.0°
C13	C14	C15	O5	166.0°	90.0°
C13	C14	C15	H151	74.0°	90.0°
C13	C14	C15	H152	46.0°	90.0°
C14	C13	C16	H161	38.0°	90.0°
C16	C13	C14	C15	103.6°	90.0°
C16	C13	C14	H141	136.4°	90.0°
C16	C13	C14	H142	16.5°	90.0°
C15	C14	H141	H142	121.4°	90.0°
C14	C15	O5	H151	120.0°	90.0°
C14	C15	O5	H152	120.0°	90.0°
C14	C15	H151	H152	120.5°	90.0°
C14	C15	O5	H05	180.0°	90.0°
H141	C14	C15	O5	46.0°	90.0°
H141	C14	C15	H151	166.0°	90.0°
H141	C14	C15	H152	74.0°	90.0°
H142	C14	C15	O5	73.9°	90.0°
H142	C14	C15	H151	46.1°	90.0°
H142	C14	C15	H152	166.0°	90.0°
O5	C15	H151	H152	120.6°	90.0°
H151	C15	O5	H05	60.0°	90.0°
H152	C15	O5	H05	60.0°	90.0°
O7	FE	O8	O11	177.5°	90.0°
O7	FE	O8	O12	98.5°	90.0°
O7	FE	O11	O12	83.5°	90.0°
FE	O7	N4	C17	6.6°	90.0°
O7	FE	O8	C17	6.7°	90.0°
O7	FE	O11	N5	65.2°	90.0°
O7	FE	O12	C28	148.3°	90.0°
O8	FE	O11	O12	95.6°	90.0°
FE	O8	C17	N4	5.5°	90.0°
O8	FE	O7	N4	7.0°	90.0°
FE	O8	C17	C18	175.6°	90.0°
O8	FE	O11	N5	77.3°	90.0°
O8	FE	O12	C28	67.7°	90.0°
O11	FE	O7	N4	5.2°	90.0°
O11	FE	O8	C17	170.8°	90.0°
FE	O11	N5	C27	163.8°	90.0°
FE	O11	N5	C28	16.6°	90.0°
O11	FE	O12	C28	19.8°	90.0°
O12	FE	O7	N4	86.7°	90.0°
O12	FE	O8	C17	91.8°	90.0°
FE	O12	C28	N5	16.9°	90.0°
O12	FE	O11	N5	18.3°	90.0°
FE	O12	C28	C29	163.6°	90.0°
N4	C17	C18	O8	178.9°	90.0°
N4	C17	C18	C19	83.1°	90.0°
N4	C17	C18	H181	96.9°	90.0°
O7	N4	C17	C18	178.4°	90.0°
O7	N4	C17	O8	0.6°	90.0°
C17	C18	C19	H181	180.0°	90.0°
C17	C18	C19	C20	160.7°	90.0°
C17	C18	C19	CJ'	65.4°	90.0°
O8	C17	C18	C19	97.9°	90.0°
O8	C17	C18	H181	82.0°	90.0°
C18	C19	C20	CJ'	157.0°	90.0°
C18	C19	C20	C21	102.0°	90.0°
C18	C19	C20	H201	138.0°	90.0°
C18	C19	C20	H202	18.0°	90.0°
C18	C19	CJ'	H191	90.0°	90.0°
C18	C19	CJ'	H192	90.0°	90.0°
C18	C19	CJ'	H193	90.0°	90.0°
H181	C18	C19	C20	19.3°	90.0°
H181	C18	C19	CJ'	114.7°	90.0°
C19	C20	C21	H201	120.0°	90.0°
C19	C20	C21	H202	120.0°	90.0°
C19	C20	H201	H202	119.8°	90.0°
C19	C20	C21	O6	67.2°	90.0°
C19	C20	C21	H211	52.8°	90.0°
C19	C20	C21	H212	172.8°	90.0°
C20	C19	CJ'	H191	90.0°	90.0°
C20	C19	CJ'	H192	90.0°	90.0°
C20	C19	CJ'	H193	90.0°	90.0°
CJ'	C19	C20	C21	101.0°	90.0°
CJ'	C19	C20	H201	19.0°	90.0°
CJ'	C19	C20	H202	139.0°	90.0°
C19	CJ'	H191	H192	90.0°	90.0°
C19	CJ'	H191	H193	90.0°	90.0°
C19	CJ'	H192	H193	90.0°	90.0°
C21	C20	H201	H202	119.8°	90.0°
C20	C21	O6	H211	120.0°	90.0°
C20	C21	O6	H212	120.0°	90.0°
C20	C21	H211	H212	120.6°	90.0°
C20	C21	O6	C23	116.8°	90.0°
H201	C20	C21	O6	172.9°	90.0°
H201	C20	C21	H211	67.2°	90.0°
H201	C20	C21	H212	52.9°	90.0°
H202	C20	C21	O6	52.8°	90.0°
H202	C20	C21	H211	172.8°	90.0°
H202	C20	C21	H212	67.2°	90.0°
O6	C21	H211	H212	120.6°	90.0°
C21	O6	C23	C24	146.7°	90.0°
C21	O6	C23	O10	32.8°	90.0°
H211	C21	O6	C23	3.2°	90.0°
H212	C21	O6	C23	123.2°	90.0°
O6	C23	C24	O10	179.6°	90.0°
O6	C23	C24	C25	152.9°	90.0°
O6	C23	C24	N6	41.6°	90.0°
O6	C23	C24	H241	84.7°	90.0°
C23	C24	C25	N6	112.1°	90.0°
C23	C24	C25	H241	121.7°	90.0°
C23	C24	N6	H241	120.8°	90.0°
C23	C24	C25	C26	174.0°	90.0°
C23	C24	C25	H251	54.0°	90.0°
C23	C24	C25	H252	66.0°	90.0°
C23	C24	N6	C34	97.7°	90.0°
C23	C24	N6	HN61	82.3°	90.0°
O10	C23	C24	C25	27.5°	90.0°
O10	C23	C24	N6	138.8°	90.0°
O10	C23	C24	H241	94.8°	90.0°
C25	C24	N6	H241	121.3°	90.0°
C24	C25	C26	H251	120.0°	90.0°
C24	C25	C26	H252	120.0°	90.0°
C24	C25	H251	H252	118.3°	90.0°
C24	C25	C26	C27	92.5°	90.0°
C24	C25	C26	H261	147.5°	90.0°
C24	C25	C26	H262	27.5°	90.0°
C25	C24	N6	C34	144.5°	90.0°
C25	C24	N6	HN61	35.5°	90.0°
N6	C24	C25	C26	73.9°	90.0°
N6	C24	C25	H251	166.1°	90.0°
N6	C24	C25	H252	46.1°	90.0°
C24	N6	C34	HN61	180.0°	90.0°
C24	N6	C34	O13	44.9°	90.0°
C24	N6	C34	C35	135.2°	90.0°
H241	C24	C25	C26	52.3°	90.0°
H241	C24	C25	H251	67.7°	90.0°
H241	C24	C25	H252	172.3°	90.0°
H241	C24	N6	C34	23.1°	90.0°
H241	C24	N6	HN61	156.9°	90.0°
C26	C25	H251	H252	118.3°	90.0°
C25	C26	C27	H261	120.0°	90.0°
C25	C26	C27	H262	120.0°	90.0°
C25	C26	H261	H262	119.4°	90.0°
C25	C26	C27	N5	79.2°	90.0°
C25	C26	C27	H271	40.8°	90.0°
C25	C26	C27	H272	160.8°	90.0°
H251	C25	C26	C27	27.5°	90.0°
H251	C25	C26	H261	92.5°	90.0°
H251	C25	C26	H262	147.5°	90.0°
H252	C25	C26	C27	147.5°	90.0°
H252	C25	C26	H261	27.5°	90.0°
H252	C25	C26	H262	92.5°	90.0°
C27	C26	H261	H262	119.4°	90.0°
C26	C27	N5	H271	120.0°	90.0°
C26	C27	N5	H272	120.0°	90.0°
C26	C27	H271	H272	115.3°	90.0°
C26	C27	N5	C28	121.1°	90.0°
C26	C27	N5	O11	59.2°	90.0°
H261	C26	C27	N5	160.8°	90.0°
H261	C26	C27	H271	79.2°	90.0°
H261	C26	C27	H272	40.8°	90.0°
H262	C26	C27	N5	40.8°	90.0°
H262	C26	C27	H271	160.8°	90.0°
H262	C26	C27	H272	79.2°	90.0°
N5	C27	H271	H272	115.4°	90.0°
C27	N5	C28	O11	179.7°	90.0°
C27	N5	C28	C29	0.1°	90.0°
C27	N5	C28	O12	179.7°	90.0°
H271	C27	N5	C28	1.1°	90.0°
H271	C27	N5	O11	179.2°	90.0°
H272	C27	N5	C28	118.9°	90.0°
H272	C27	N5	O11	60.8°	90.0°
N5	C28	C29	O12	179.5°	90.0°
N5	C28	C29	C30	127.6°	90.0°
N5	C28	C29	H292	52.4°	90.0°
O11	N5	C28	C29	179.5°	90.0°
O11	N5	C28	O12	0.0°	90.0°
C28	C29	C30	H292	180.0°	90.0°
C28	C29	C30	C31	146.7°	90.0°
C28	C29	C30	C33	0.8°	90.0°
O12	C28	C29	C30	52.9°	90.0°
O12	C28	C29	H292	127.1°	90.0°
C29	C30	C31	C33	145.0°	90.0°
C29	C30	C31	C32	160.2°	90.0°
C29	C30	C31	H311	79.7°	90.0°
C29	C30	C31	H312	40.2°	90.0°
C29	C30	C33	H331	180.0°	90.0°
C29	C30	C33	H332	60.0°	90.0°
C29	C30	C33	H333	60.0°	90.0°
H292	C29	C30	C31	33.3°	90.0°
H292	C29	C30	C33	179.2°	90.0°
C30	C31	C32	H311	120.0°	90.0°
C30	C31	C32	H312	120.0°	90.0°
C30	C31	H311	H312	120.1°	90.0°
C30	C31	C32	O9	107.6°	90.0°
C30	C31	C32	H321	132.4°	90.0°
C30	C31	C32	H322	12.4°	90.0°
C31	C30	C33	H331	35.1°	90.0°
C31	C30	C33	H332	155.1°	90.0°
C31	C30	C33	H333	84.9°	90.0°
C33	C30	C31	C32	54.7°	90.0°
C33	C30	C31	H311	65.3°	90.0°
C33	C30	C31	H312	174.7°	90.0°
C30	C33	H331	H332	120.0°	90.0°
C30	C33	H331	H333	120.0°	90.0°
C30	C33	H332	H333	120.0°	90.0°
C32	C31	H311	H312	120.1°	90.0°
C31	C32	O9	H321	120.0°	90.0°
C31	C32	O9	H322	120.0°	90.0°
C31	C32	H321	H322	120.6°	90.0°
C31	C32	O9	H09	180.0°	90.0°
H311	C31	C32	O9	12.4°	90.0°
H311	C31	C32	H321	107.6°	90.0°
H311	C31	C32	H322	132.4°	90.0°
H312	C31	C32	O9	132.4°	90.0°
H312	C31	C32	H321	12.4°	90.0°
H312	C31	C32	H322	107.6°	90.0°
O9	C32	H321	H322	120.5°	90.0°
H321	C32	O9	H09	60.0°	90.0°
H322	C32	O9	H09	60.0°	90.0°
H331	C33	H332	H333	120.0°	90.0°
N6	C34	O13	C35	179.9°	90.0°
N6	C34	C35	H351	179.9°	90.0°
N6	C34	C35	H352	59.9°	90.0°
N6	C34	C35	H353	60.1°	90.0°
HN61	N6	C34	O13	135.1°	90.0°
HN61	N6	C34	C35	44.7°	90.0°
O13	C34	C35	H351	0.0°	90.0°
O13	C34	C35	H352	120.0°	90.0°
O13	C34	C35	H353	120.0°	90.0°
C34	C35	H351	H352	120.0°	90.0°
C34	C35	H351	H353	120.0°	90.0°
C34	C35	H352	H353	120.0°	90.0°
H351	C35	H352	H353	120.0°	90.0°
H191	CJ'	H192	H193	90.0°	90.0°

Definition date:	2000-05-17
Last modified:	2009-11-02
Release status:	REL
Processing site:	RCSB