M43

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N09	NI	sing	0.00Å	2.04Å
N13	NI	sing	0.00Å	2.21Å
NI	N17	sing	0.00Å	1.98Å
N21	NI	sing	0.00Å	2.16Å
O01	C02	sing	0.00Å	1.26Å
C02	O03	doub	0.00Å	1.25Å
C02	C04	sing	0.00Å	1.51Å
C04	C05	sing	0.00Å	1.49Å
C04	H04	sing	0.00Å	1.10Å
C04	H04A	sing	0.00Å	1.10Å
C05	C06	sing	0.00Å	1.65Å
C05	C22	sing	0.00Å	1.51Å
C05	H05	sing	0.00Å	1.10Å
C06	C07	sing	0.00Å	1.51Å
C06	N21	sing	0.00Å	1.36Å
C06	H06	sing	0.00Å	1.10Å
C07	C08	sing	0.00Å	1.52Å
C07	H07	sing	0.00Å	1.10Å
C07	H07A	sing	0.00Å	1.10Å
C08	N09	doub	0.00Å	1.43Å
C08	C58	sing	0.00Å	1.53Å
N09	C10	sing	0.00Å	1.44Å
C10	C11	sing	0.00Å	1.54Å
C10	C52	sing	0.00Å	1.65Å
C10	H10	sing	0.00Å	1.10Å
C11	C12	sing	0.00Å	1.54Å
C11	H11	sing	0.00Å	1.10Å
C11	H11A	sing	0.00Å	1.10Å
C12	N13	sing	0.00Å	1.45Å
C12	C46	sing	0.00Å	1.60Å
C12	N51	sing	0.00Å	1.46Å
N13	C14	doub	0.00Å	1.39Å
C14	C15	sing	0.00Å	1.52Å
C14	C40	sing	0.00Å	1.49Å
C15	C16	doub	0.00Å	1.40Å
C15	H15	sing	0.00Å	1.08Å
C16	N17	sing	0.00Å	1.45Å
C16	C35	sing	0.00Å	1.49Å
N17	C18	sing	0.00Å	1.43Å
C18	C19	doub	0.00Å	1.43Å
C18	C29	sing	0.00Å	1.49Å
C19	C20	sing	0.00Å	1.50Å
C19	C27	sing	0.00Å	1.47Å
C20	N21	doub	0.00Å	1.39Å
C20	C22	sing	0.00Å	1.49Å
C22	C23	sing	0.00Å	1.58Å
C22	H22	sing	0.00Å	1.10Å
C23	C24	sing	0.00Å	1.50Å
C23	H23	sing	0.00Å	1.10Å
C23	H23A	sing	0.00Å	1.10Å
C24	S25	sing	0.00Å	1.77Å
C24	C27	sing	0.00Å	1.51Å
C24	H24	sing	0.00Å	1.10Å
S25	C26	sing	0.00Å	1.79Å
C26	H26	sing	0.00Å	1.10Å
C26	H26A	sing	0.00Å	1.10Å
C26	H26B	sing	0.00Å	1.10Å
C27	O28	doub	0.00Å	1.22Å
C29	C30	sing	0.00Å	1.51Å
C29	C35	sing	0.00Å	1.58Å
C29	H29	sing	0.00Å	1.10Å
C30	C31	sing	0.00Å	1.52Å
C30	H30	sing	0.00Å	1.10Å
C30	H30A	sing	0.00Å	1.10Å
C31	C32	sing	0.00Å	1.51Å
C31	H31	sing	0.00Å	1.10Å
C31	H31A	sing	0.00Å	1.10Å
C32	O33	sing	0.00Å	1.28Å
C32	O34	doub	0.00Å	1.25Å
C35	C36	sing	0.00Å	1.50Å
C35	H35	sing	0.00Å	1.10Å
C36	C37	sing	0.00Å	1.49Å
C36	H36	sing	0.00Å	1.10Å
C36	H36A	sing	0.00Å	1.10Å
C37	O38	doub	0.00Å	1.26Å
C37	O39	sing	0.00Å	1.27Å
C40	C41	sing	0.00Å	1.52Å
C40	C46	sing	0.00Å	1.61Å
C40	H40	sing	0.00Å	1.10Å
C41	C42	sing	0.00Å	1.51Å
C41	H41	sing	0.00Å	1.10Å
C41	H41A	sing	0.00Å	1.10Å
C42	C43	sing	0.00Å	1.48Å
C42	H42	sing	0.00Å	1.10Å
C42	H42A	sing	0.00Å	1.10Å
C43	O44	doub	0.00Å	1.25Å
C43	O45	sing	0.00Å	1.27Å
C46	C47	sing	0.00Å	1.45Å
C46	C48	sing	0.00Å	1.48Å
C47	H47	sing	0.00Å	1.10Å
C47	H47A	sing	0.00Å	1.10Å
C47	H47B	sing	0.00Å	1.10Å
C48	C49	sing	0.00Å	1.38Å
C48	H48	sing	0.00Å	1.10Å
C48	H48A	sing	0.00Å	1.10Å
C49	O50	doub	0.00Å	1.22Å
C49	N51	sing	0.00Å	1.36Å
N51	HN51	sing	0.00Å	1.00Å
C52	C53	sing	0.00Å	1.56Å
C52	C58	sing	0.00Å	1.63Å
C52	H52	sing	0.00Å	1.10Å
C53	C54	sing	0.00Å	1.51Å
C53	H53	sing	0.00Å	1.10Å
C53	H53A	sing	0.00Å	1.10Å
C54	C55	sing	0.00Å	1.49Å
C54	H54	sing	0.00Å	1.10Å
C54	H54A	sing	0.00Å	1.10Å
C55	O56	doub	0.00Å	1.26Å
C55	O57	sing	0.00Å	1.26Å
C58	C59	sing	0.00Å	1.66Å
C58	C60	sing	0.00Å	1.65Å
C59	H59	sing	0.00Å	1.10Å
C59	H59A	sing	0.00Å	1.10Å
C59	H59B	sing	0.00Å	1.10Å
C60	C61	sing	0.00Å	1.52Å
C60	H60	sing	0.00Å	1.10Å
C60	H60A	sing	0.00Å	1.10Å
C61	N62	sing	0.00Å	1.44Å
C61	O63	doub	0.00Å	1.25Å
N62	HN62	sing	0.00Å	1.00Å
N62	HN6A	sing	0.00Å	1.00Å
O01	H49	sing	0.00Å	0.95Å
O33	H50	sing	0.00Å	0.95Å
O39	H51	sing	0.00Å	0.95Å
O45	H521	sing	0.00Å	0.95Å
O57	H531	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N09	NI	N13	85.8°	90.0°
N09	NI	N17	174.3°	90.0°
N09	NI	N21	94.9°	90.0°
NI	N09	C08	118.7°	90.0°
NI	N09	C10	132.6°	90.0°
N13	NI	N17	93.0°	90.0°
N13	NI	N21	175.2°	90.0°
NI	N13	C12	122.1°	90.0°
NI	N13	C14	114.0°	90.0°
N17	NI	N21	85.9°	90.0°
NI	N17	C16	126.0°	90.0°
NI	N17	C18	133.9°	90.0°
NI	N21	C06	115.6°	90.0°
NI	N21	C20	126.1°	90.0°
O01	C02	O03	120.4°	90.0°
O01	C02	C04	121.2°	90.0°
C02	O01	H49	109.5°	90.0°
O03	C02	C04	118.4°	90.0°
C02	C04	C05	112.5°	90.0°
C02	C04	H04	108.5°	90.0°
C02	C04	H04A	108.5°	90.0°
C05	C04	H04	108.5°	90.0°
C05	C04	H04A	108.5°	90.0°
C04	C05	C06	114.8°	90.0°
C04	C05	C22	115.6°	90.0°
C04	C05	H05	99.3°	90.0°
H04	C04	H04A	110.4°	90.0°
C06	C05	C22	102.9°	90.0°
C06	C05	H05	112.7°	90.0°
C05	C06	C07	116.9°	90.0°
C05	C06	N21	101.7°	90.0°
C05	C06	H06	110.4°	90.0°
C22	C05	H05	112.0°	90.0°
C05	C22	C20	104.7°	90.0°
C05	C22	C23	117.3°	90.0°
C05	C22	H22	108.4°	90.0°
C07	C06	N21	110.9°	90.0°
C07	C06	H06	101.1°	90.0°
C06	C07	C08	104.7°	90.0°
C06	C07	H07	111.1°	90.0°
C06	C07	H07A	111.1°	90.0°
N21	C06	H06	116.5°	90.0°
C06	N21	C20	113.7°	90.0°
C08	C07	H07	111.1°	90.0°
C08	C07	H07A	111.1°	90.0°
C07	C08	N09	118.1°	90.0°
C07	C08	C58	122.8°	90.0°
H07	C07	H07A	107.8°	90.0°
N09	C08	C58	119.1°	90.0°
C08	N09	C10	106.2°	90.0°
C08	C58	C52	92.9°	90.0°
C08	C58	C59	110.0°	90.0°
C08	C58	C60	115.4°	90.0°
N09	C10	C11	113.7°	90.0°
N09	C10	C52	100.8°	90.0°
N09	C10	H10	117.0°	90.0°
C11	C10	C52	120.1°	90.0°
C11	C10	H10	96.2°	90.0°
C10	C11	C12	109.1°	90.0°
C10	C11	H11	109.6°	90.0°
C10	C11	H11A	109.6°	90.0°
C52	C10	H10	110.1°	90.0°
C10	C52	C53	111.5°	90.0°
C10	C52	C58	104.0°	90.0°
C10	C52	H52	119.6°	90.0°
C12	C11	H11	109.6°	90.0°
C12	C11	H11A	109.6°	90.0°
C11	C12	N13	112.1°	90.0°
C11	C12	C46	114.9°	90.0°
C11	C12	N51	104.7°	90.0°
H11	C11	H11A	109.3°	90.0°
N13	C12	C46	102.3°	90.0°
N13	C12	N51	119.1°	90.0°
C12	N13	C14	113.8°	90.0°
C46	C12	N51	103.9°	90.0°
C12	C46	C40	103.0°	90.0°
C12	C46	C47	116.3°	90.0°
C12	C46	C48	101.8°	90.0°
C12	N51	C49	105.1°	90.0°
C12	N51	HN51	127.4°	90.0°
N13	C14	C15	119.4°	90.0°
N13	C14	C40	110.7°	90.0°
C15	C14	C40	122.2°	90.0°
C14	C15	C16	122.5°	90.0°
C14	C15	H15	118.7°	90.0°
C14	C40	C41	109.1°	90.0°
C14	C40	C46	103.5°	90.0°
C14	C40	H40	117.7°	90.0°
C16	C15	H15	118.8°	90.0°
C15	C16	N17	124.8°	90.0°
C15	C16	C35	118.5°	90.0°
N17	C16	C35	116.6°	90.0°
C16	N17	C18	100.0°	90.0°
C16	C35	C29	100.1°	90.0°
C16	C35	C36	114.8°	90.0°
C16	C35	H35	115.6°	90.0°
N17	C18	C19	121.4°	90.0°
N17	C18	C29	115.6°	90.0°
C19	C18	C29	120.4°	90.0°
C18	C19	C20	121.4°	90.0°
C18	C19	C27	119.8°	90.0°
C18	C29	C30	113.6°	90.0°
C18	C29	C35	100.5°	90.0°
C18	C29	H29	115.8°	90.0°
C20	C19	C27	117.3°	90.0°
C19	C20	N21	118.4°	90.0°
C19	C20	C22	123.6°	90.0°
C19	C27	C24	117.1°	90.0°
C19	C27	O28	123.1°	90.0°
N21	C20	C22	109.4°	90.0°
C20	C22	C23	111.8°	90.0°
C20	C22	H22	114.2°	90.0°
C23	C22	H22	100.8°	90.0°
C22	C23	C24	108.2°	90.0°
C22	C23	H23	109.9°	90.0°
C22	C23	H23A	109.9°	90.0°
C24	C23	H23	109.9°	90.0°
C24	C23	H23A	109.9°	90.0°
C23	C24	S25	110.0°	90.0°
C23	C24	C27	114.0°	90.0°
C23	C24	H24	105.5°	90.0°
H23	C23	H23A	109.0°	90.0°
S25	C24	C27	108.3°	90.0°
S25	C24	H24	111.6°	90.0°
C24	S25	C26	103.6°	90.0°
C27	C24	H24	107.4°	90.0°
C24	C27	O28	119.8°	90.0°
S25	C26	H26	109.5°	90.0°
S25	C26	H26A	109.4°	90.0°
S25	C26	H26B	109.4°	90.0°
H26	C26	H26A	109.5°	90.0°
H26	C26	H26B	109.5°	90.0°
H26A	C26	H26B	109.5°	90.0°
C30	C29	C35	117.3°	90.0°
C30	C29	H29	98.5°	90.0°
C29	C30	C31	117.9°	90.0°
C29	C30	H30	106.8°	90.0°
C29	C30	H30A	106.8°	90.0°
C35	C29	H29	112.0°	90.0°
C29	C35	C36	117.7°	90.0°
C29	C35	H35	112.5°	90.0°
C31	C30	H30	106.8°	90.0°
C31	C30	H30A	106.8°	90.0°
C30	C31	C32	115.4°	90.0°
C30	C31	H31	107.5°	90.0°
C30	C31	H31A	107.6°	90.0°
H30	C30	H30A	112.0°	90.0°
C32	C31	H31	107.5°	90.0°
C32	C31	H31A	107.5°	90.0°
C31	C32	O33	120.3°	90.0°
C31	C32	O34	118.5°	90.0°
H31	C31	H31A	111.3°	90.0°
O33	C32	O34	121.2°	90.0°
C32	O33	H50	109.5°	90.0°
C36	C35	H35	97.1°	90.0°
C35	C36	C37	112.5°	90.0°
C35	C36	H36	108.5°	90.0°
C35	C36	H36A	108.5°	90.0°
C37	C36	H36	108.4°	90.0°
C37	C36	H36A	108.5°	90.0°
C36	C37	O38	117.4°	90.0°
C36	C37	O39	121.9°	90.0°
H36	C36	H36A	110.4°	90.0°
O38	C37	O39	120.6°	90.0°
C37	O39	H51	109.5°	90.0°
C41	C40	C46	119.6°	90.0°
C41	C40	H40	101.0°	90.0°
C40	C41	C42	115.0°	90.0°
C40	C41	H41	107.6°	90.0°
C40	C41	H41A	107.6°	90.0°
C46	C40	H40	106.8°	90.0°
C40	C46	C47	108.2°	90.0°
C40	C46	C48	118.1°	90.0°
C42	C41	H41	107.7°	90.0°
C42	C41	H41A	107.7°	90.0°
C41	C42	C43	114.8°	90.0°
C41	C42	H42	107.7°	90.0°
C41	C42	H42A	107.7°	90.0°
H41	C41	H41A	111.2°	90.0°
C43	C42	H42	107.7°	90.0°
C43	C42	H42A	107.8°	90.0°
C42	C43	O44	120.0°	90.0°
C42	C43	O45	119.1°	90.0°
H42	C42	H42A	111.1°	90.0°
O44	C43	O45	120.9°	90.0°
C43	O45	H521	109.5°	90.0°
C47	C46	C48	109.5°	90.0°
C46	C47	H47	109.5°	90.0°
C46	C47	H47A	109.4°	90.0°
C46	C47	H47B	109.4°	90.0°
C46	C48	C49	103.6°	90.0°
C46	C48	H48	111.5°	90.0°
C46	C48	H48A	111.5°	90.0°
H47	C47	H47A	109.5°	90.0°
H47	C47	H47B	109.5°	90.0°
H47A	C47	H47B	109.5°	90.0°
C49	C48	H48	111.5°	90.0°
C49	C48	H48A	111.5°	90.0°
C48	C49	O50	120.8°	90.0°
C48	C49	N51	117.8°	90.0°
H48	C48	H48A	107.3°	90.0°
O50	C49	N51	121.4°	90.0°
C49	N51	HN51	127.5°	90.0°
C53	C52	C58	125.3°	90.0°
C53	C52	H52	94.1°	90.0°
C52	C53	C54	116.2°	90.0°
C52	C53	H53	107.3°	90.0°
C52	C53	H53A	107.3°	90.0°
C58	C52	H52	103.2°	90.0°
C52	C58	C59	102.3°	90.0°
C52	C58	C60	100.5°	90.0°
C54	C53	H53	107.3°	90.0°
C54	C53	H53A	107.3°	90.0°
C53	C54	C55	114.7°	90.0°
C53	C54	H54	107.7°	90.0°
C53	C54	H54A	107.8°	90.0°
H53	C53	H53A	111.6°	90.0°
C55	C54	H54	107.7°	90.0°
C55	C54	H54A	107.7°	90.0°
C54	C55	O56	120.1°	90.0°
C54	C55	O57	119.4°	90.0°
H54	C54	H54A	111.2°	90.0°
O56	C55	O57	120.5°	90.0°
C55	O57	H531	109.5°	90.0°
C59	C58	C60	127.4°	90.0°
C58	C59	H59	109.5°	90.0°
C58	C59	H59A	109.5°	90.0°
C58	C59	H59B	109.4°	90.0°
C58	C60	C61	114.7°	90.0°
C58	C60	H60	107.8°	90.0°
C58	C60	H60A	107.8°	90.0°
H59	C59	H59A	109.4°	90.0°
H59	C59	H59B	109.5°	90.0°
H59A	C59	H59B	109.5°	90.0°
C61	C60	H60	107.8°	90.0°
C61	C60	H60A	107.8°	90.0°
C60	C61	N62	118.3°	90.0°
C60	C61	O63	123.3°	90.0°
H60	C60	H60A	111.1°	90.0°
N62	C61	O63	118.4°	90.0°
C61	N62	HN62	120.0°	90.0°
C61	N62	HN6A	120.0°	90.0°
HN62	N62	HN6A	120.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N09	NI	N13	N17	174.4°	90.0°
N09	NI	N13	N21	98.6°	90.0°
N09	NI	N17	N21	98.3°	90.0°
N09	NI	N21	C06	5.4°	90.0°
NI	N09	C08	C07	22.8°	90.0°
NI	N09	C08	C10	164.4°	90.0°
NI	N09	C08	C58	157.4°	90.0°
NI	N09	C10	C11	2.4°	90.0°
NI	N09	C10	C52	132.3°	90.0°
NI	N09	C10	H10	108.4°	90.0°
N09	NI	N13	C12	3.0°	90.0°
N09	NI	N13	C14	146.0°	90.0°
N09	NI	N17	C16	77.4°	90.0°
N09	NI	N17	C18	108.2°	90.0°
N09	NI	N21	C20	159.8°	90.0°
N13	NI	N17	N21	175.3°	90.0°
N13	NI	N21	C06	92.8°	90.0°
N13	NI	N09	C08	176.0°	90.0°
N13	NI	N09	C10	24.6°	90.0°
NI	N13	C12	C11	42.1°	90.0°
NI	N13	C12	C14	143.1°	90.0°
NI	N13	C12	C46	165.6°	90.0°
NI	N13	C12	N51	80.6°	90.0°
NI	N13	C14	C15	54.1°	90.0°
NI	N13	C14	C40	155.9°	90.0°
N13	NI	N17	C16	0.3°	90.0°
N13	NI	N17	C18	174.7°	90.0°
N13	NI	N21	C20	61.5°	90.0°
N17	NI	N21	C06	168.8°	90.0°
N17	NI	N09	C08	106.6°	90.0°
N17	NI	N09	C10	52.9°	90.0°
N17	NI	N13	C12	171.3°	90.0°
N17	NI	N13	C14	28.3°	90.0°
NI	N17	C16	C15	7.4°	90.0°
NI	N17	C16	C18	175.9°	90.0°
NI	N17	C16	C35	171.4°	90.0°
NI	N17	C18	C19	8.3°	90.0°
NI	N17	C18	C29	170.0°	90.0°
N17	NI	N21	C20	14.5°	90.0°
NI	N21	C06	C05	176.2°	90.0°
NI	N21	C06	C07	51.2°	90.0°
NI	N21	C06	C20	157.5°	90.0°
NI	N21	C06	H06	63.7°	90.0°
N21	NI	N09	C08	8.8°	90.0°
N21	NI	N09	C10	150.7°	90.0°
N21	NI	N13	C12	95.6°	90.0°
N21	NI	N13	C14	47.4°	90.0°
N21	NI	N17	C16	175.7°	90.0°
N21	NI	N17	C18	9.9°	90.0°
NI	N21	C20	C19	39.8°	90.0°
NI	N21	C20	C22	171.2°	90.0°
O01	C02	O03	C04	177.7°	90.0°
O01	C02	C04	C05	142.8°	90.0°
O01	C02	C04	H04	22.8°	90.0°
O01	C02	C04	H04A	97.2°	90.0°
O03	C02	C04	C05	34.9°	90.0°
O03	C02	C04	H04	154.9°	90.0°
O03	C02	C04	H04A	85.1°	90.0°
O03	C02	O01	H49	0.0°	90.0°
C02	C04	C05	H04	120.0°	90.0°
C02	C04	C05	H04A	120.0°	90.0°
C02	C04	H04	H04A	118.7°	90.0°
C02	C04	C05	C06	162.6°	90.0°
C02	C04	C05	C22	77.7°	90.0°
C02	C04	C05	H05	42.2°	90.0°
C04	C02	O01	H49	177.6°	90.0°
C05	C04	H04	H04A	118.8°	90.0°
C04	C05	C06	C22	126.5°	90.0°
C04	C05	C06	H05	112.7°	90.0°
C04	C05	C22	H05	112.7°	90.0°
C04	C05	C06	C07	86.5°	90.0°
C04	C05	C06	N21	152.6°	90.0°
C04	C05	C06	H06	28.4°	90.0°
C04	C05	C22	C20	143.2°	90.0°
C04	C05	C22	C23	92.2°	90.0°
C04	C05	C22	H22	20.9°	90.0°
H04	C04	C05	C06	77.3°	90.0°
H04	C04	C05	C22	42.3°	90.0°
H04	C04	C05	H05	162.2°	90.0°
H04A	C04	C05	C06	42.7°	90.0°
H04A	C04	C05	C22	162.3°	90.0°
H04A	C04	C05	H05	77.8°	90.0°
C06	C05	C22	H05	121.3°	90.0°
C05	C06	C07	N21	115.9°	90.0°
C05	C06	C07	H06	119.9°	90.0°
C05	C06	N21	H06	120.0°	90.0°
C05	C06	C07	C08	154.7°	90.0°
C05	C06	C07	H07	34.7°	90.0°
C05	C06	C07	H07A	85.3°	90.0°
C05	C06	N21	C20	26.3°	90.0°
C06	C05	C22	C20	17.2°	90.0°
C06	C05	C22	C23	141.8°	90.0°
C06	C05	C22	H22	105.1°	90.0°
C22	C05	C06	C07	147.1°	90.0°
C22	C05	C06	N21	26.1°	90.0°
C22	C05	C06	H06	98.1°	90.0°
C05	C22	C20	C19	144.0°	90.0°
C05	C22	C20	N21	3.1°	90.0°
C05	C22	C20	C23	128.0°	90.0°
C05	C22	C20	H22	118.4°	90.0°
C05	C22	C23	H22	117.3°	90.0°
C05	C22	C23	C24	168.9°	90.0°
C05	C22	C23	H23	48.9°	90.0°
C05	C22	C23	H23A	71.0°	90.0°
H05	C05	C06	C07	26.2°	90.0°
H05	C05	C06	N21	94.7°	90.0°
H05	C05	C06	H06	141.1°	90.0°
H05	C05	C22	C20	104.1°	90.0°
H05	C05	C22	C23	20.5°	90.0°
H05	C05	C22	H22	133.6°	90.0°
C07	C06	N21	H06	114.9°	90.0°
C06	C07	C08	H07	120.0°	90.0°
C06	C07	C08	H07A	120.0°	90.0°
C06	C07	H07	H07A	121.9°	90.0°
C06	C07	C08	N09	72.5°	90.0°
C06	C07	C08	C58	107.7°	90.0°
C07	C06	N21	C20	151.3°	90.0°
N21	C06	C07	C08	89.3°	90.0°
N21	C06	C07	H07	150.7°	90.0°
N21	C06	C07	H07A	30.7°	90.0°
C06	N21	C20	C19	165.5°	90.0°
C06	N21	C20	C22	16.4°	90.0°
H06	C06	C07	C08	34.8°	90.0°
H06	C06	C07	H07	85.2°	90.0°
H06	C06	C07	H07A	154.8°	90.0°
H06	C06	N21	C20	93.8°	90.0°
C08	C07	H07	H07A	121.9°	90.0°
C07	C08	N09	C58	179.8°	90.0°
C07	C08	N09	C10	172.8°	90.0°
C07	C08	C58	C52	161.2°	90.0°
C07	C08	C58	C59	57.0°	90.0°
C07	C08	C58	C60	95.8°	90.0°
H07	C07	C08	N09	167.5°	90.0°
H07	C07	C08	C58	12.3°	90.0°
H07A	C07	C08	N09	47.5°	90.0°
H07A	C07	C08	C58	132.3°	90.0°
C08	N09	C10	C11	158.9°	90.0°
C08	N09	C10	C52	29.0°	90.0°
C08	N09	C10	H10	90.3°	90.0°
N09	C08	C58	C52	19.0°	90.0°
N09	C08	C58	C59	123.2°	90.0°
N09	C08	C58	C60	84.0°	90.0°
C58	C08	N09	C10	7.0°	90.0°
C08	C58	C52	C10	34.0°	90.0°
C08	C58	C52	C53	95.6°	90.0°
C08	C58	C52	C59	111.2°	90.0°
C08	C58	C52	C60	116.5°	90.0°
C08	C58	C52	H52	159.5°	90.0°
C08	C58	C59	C60	148.6°	90.0°
C08	C58	C59	H59	180.0°	90.0°
C08	C58	C59	H59A	60.0°	90.0°
C08	C58	C59	H59B	60.0°	90.0°
C08	C58	C60	C61	178.0°	90.0°
C08	C58	C60	H60	61.9°	90.0°
C08	C58	C60	H60A	58.1°	90.0°
N09	C10	C11	C52	119.4°	90.0°
N09	C10	C11	H10	123.1°	90.0°
N09	C10	C52	H10	124.2°	90.0°
N09	C10	C11	C12	57.5°	90.0°
N09	C10	C11	H11	62.5°	90.0°
N09	C10	C11	H11A	177.5°	90.0°
N09	C10	C52	C53	95.8°	90.0°
N09	C10	C52	C58	41.8°	90.0°
N09	C10	C52	H52	156.1°	90.0°
C11	C10	C52	H10	110.1°	90.0°
C10	C11	C12	H11	120.0°	90.0°
C10	C11	C12	H11A	120.0°	90.0°
C10	C11	H11	H11A	120.1°	90.0°
C10	C11	C12	N13	78.9°	90.0°
C10	C11	C12	C46	164.9°	90.0°
C10	C11	C12	N51	51.6°	90.0°
C11	C10	C52	C53	29.9°	90.0°
C11	C10	C52	C58	167.5°	90.0°
C11	C10	C52	H52	78.2°	90.0°
C52	C10	C11	C12	177.0°	90.0°
C52	C10	C11	H11	57.0°	90.0°
C52	C10	C11	H11A	63.0°	90.0°
C10	C52	C53	C58	126.6°	90.0°
C10	C52	C53	H52	124.1°	90.0°
C10	C52	C58	H52	125.5°	90.0°
C10	C52	C53	C54	164.4°	90.0°
C10	C52	C53	H53	44.4°	90.0°
C10	C52	C53	H53A	75.6°	90.0°
C10	C52	C58	C59	145.3°	90.0°
C10	C52	C58	C60	82.5°	90.0°
H10	C10	C11	C12	65.5°	90.0°
H10	C10	C11	H11	174.4°	90.0°
H10	C10	C11	H11A	54.5°	90.0°
H10	C10	C52	C53	140.1°	90.0°
H10	C10	C52	C58	82.4°	90.0°
H10	C10	C52	H52	31.9°	90.0°
C12	C11	H11	H11A	120.1°	90.0°
C11	C12	N13	C46	123.6°	90.0°
C11	C12	N13	N51	122.6°	90.0°
C11	C12	C46	N51	113.8°	90.0°
C11	C12	N13	C14	101.0°	90.0°
C11	C12	C46	C40	96.5°	90.0°
C11	C12	C46	C47	21.7°	90.0°
C11	C12	C46	C48	140.6°	90.0°
C11	C12	N51	C49	138.5°	90.0°
C11	C12	N51	HN51	41.5°	90.0°
H11	C11	C12	N13	41.1°	90.0°
H11	C11	C12	C46	75.1°	90.0°
H11	C11	C12	N51	171.6°	90.0°
H11A	C11	C12	N13	161.1°	90.0°
H11A	C11	C12	C46	44.9°	90.0°
H11A	C11	C12	N51	68.4°	90.0°
N13	C12	C46	N51	124.5°	90.0°
C12	N13	C14	C15	159.8°	90.0°
C12	N13	C14	C40	9.8°	90.0°
N13	C12	C46	C40	25.2°	90.0°
N13	C12	C46	C47	143.4°	90.0°
N13	C12	C46	C48	97.7°	90.0°
N13	C12	N51	C49	95.2°	90.0°
N13	C12	N51	HN51	84.7°	90.0°
C46	C12	N13	C14	22.6°	90.0°
C12	C46	C40	C14	20.2°	90.0°
C12	C46	C40	C41	101.3°	90.0°
C12	C46	C40	C47	123.7°	90.0°
C12	C46	C40	C48	111.2°	90.0°
C12	C46	C40	H40	145.1°	90.0°
C12	C46	C47	C48	114.6°	90.0°
C12	C46	C47	H47	180.0°	90.0°
C12	C46	C47	H47A	60.0°	90.0°
C12	C46	C47	H47B	60.0°	90.0°
C12	C46	C48	C49	25.3°	90.0°
C12	C46	C48	H48	94.7°	90.0°
C12	C46	C48	H48A	145.3°	90.0°
C46	C12	N51	C49	17.7°	90.0°
C46	C12	N51	HN51	162.4°	90.0°
N51	C12	N13	C14	136.3°	90.0°
N51	C12	C46	C40	149.7°	90.0°
N51	C12	C46	C47	92.1°	90.0°
N51	C12	C46	C48	26.8°	90.0°
C12	N51	C49	C48	1.4°	90.0°
C12	N51	C49	O50	179.8°	90.0°
C12	N51	C49	HN51	180.0°	90.0°
N13	C14	C15	C40	146.4°	90.0°
N13	C14	C15	C16	49.7°	90.0°
N13	C14	C15	H15	130.3°	90.0°
N13	C14	C40	C41	120.4°	90.0°
N13	C14	C40	C46	7.9°	90.0°
N13	C14	C40	H40	125.4°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	N17	13.4°	90.0°
C14	C15	C16	C35	167.8°	90.0°
C15	C14	C40	C41	90.5°	90.0°
C15	C14	C40	C46	141.1°	90.0°
C15	C14	C40	H40	23.6°	90.0°
C40	C14	C15	C16	163.8°	90.0°
C40	C14	C15	H15	16.2°	90.0°
C14	C40	C41	C46	118.7°	90.0°
C14	C40	C41	H40	124.6°	90.0°
C14	C40	C46	H40	124.9°	90.0°
C14	C40	C41	C42	45.0°	90.0°
C14	C40	C41	H41	75.0°	90.0°
C14	C40	C41	H41A	165.0°	90.0°
C14	C40	C46	C47	144.0°	90.0°
C14	C40	C46	C48	90.9°	90.0°
C15	C16	N17	C35	178.7°	90.0°
C15	C16	N17	C18	176.7°	90.0°
C15	C16	C35	C29	161.8°	90.0°
C15	C16	C35	C36	71.1°	90.0°
C15	C16	C35	H35	40.7°	90.0°
H15	C15	C16	N17	166.5°	90.0°
H15	C15	C16	C35	12.2°	90.0°
C16	N17	C18	C19	176.3°	90.0°
C16	N17	C18	C29	14.6°	90.0°
N17	C16	C35	C29	19.4°	90.0°
N17	C16	C35	C36	107.7°	90.0°
N17	C16	C35	H35	140.5°	90.0°
C35	C16	N17	C18	4.5°	90.0°
C16	C35	C29	C18	24.4°	90.0°
C16	C35	C29	C30	99.2°	90.0°
C16	C35	C29	C36	125.1°	90.0°
C16	C35	C29	H35	123.3°	90.0°
C16	C35	C29	H29	148.0°	90.0°
C16	C35	C36	H35	122.5°	90.0°
C16	C35	C36	C37	176.9°	90.0°
C16	C35	C36	H36	56.9°	90.0°
C16	C35	C36	H36A	63.1°	90.0°
N17	C18	C19	C29	160.9°	90.0°
N17	C18	C19	C20	19.1°	90.0°
N17	C18	C19	C27	175.1°	90.0°
N17	C18	C29	C30	100.1°	90.0°
N17	C18	C29	C35	26.0°	90.0°
N17	C18	C29	H29	146.9°	90.0°
C18	C19	C20	C27	166.1°	90.0°
C18	C19	C20	N21	43.0°	90.0°
C18	C19	C20	C22	172.6°	90.0°
C18	C19	C27	C24	161.5°	90.0°
C18	C19	C27	O28	18.1°	90.0°
C19	C18	C29	C30	61.8°	90.0°
C19	C18	C29	C35	172.0°	90.0°
C19	C18	C29	H29	51.1°	90.0°
C29	C18	C19	C20	141.8°	90.0°
C29	C18	C19	C27	24.0°	90.0°
C18	C29	C30	C35	116.7°	90.0°
C18	C29	C30	H29	123.0°	90.0°
C18	C29	C35	H29	123.6°	90.0°
C18	C29	C30	C31	174.0°	90.0°
C18	C29	C30	H30	54.0°	90.0°
C18	C29	C30	H30A	65.9°	90.0°
C18	C29	C35	C36	100.7°	90.0°
C18	C29	C35	H35	147.7°	90.0°
C19	C20	N21	C22	149.0°	90.0°
C19	C20	C22	C23	16.0°	90.0°
C19	C20	C22	H22	97.6°	90.0°
C20	C19	C27	C24	4.9°	90.0°
C20	C19	C27	O28	175.5°	90.0°
C27	C19	C20	N21	150.9°	90.0°
C27	C19	C20	C22	6.5°	90.0°
C19	C27	C24	C23	40.3°	90.0°
C19	C27	C24	S25	163.2°	90.0°
C19	C27	C24	O28	179.6°	90.0°
C19	C27	C24	H24	76.2°	90.0°
N21	C20	C22	C23	131.1°	90.0°
N21	C20	C22	H22	115.3°	90.0°
C20	C22	C23	H22	121.7°	90.0°
C20	C22	C23	C24	48.0°	90.0°
C20	C22	C23	H23	72.0°	90.0°
C20	C22	C23	H23A	168.0°	90.0°
C22	C23	C24	H23	120.0°	90.0°
C22	C23	C24	H23A	120.0°	90.0°
C22	C23	H23	H23A	120.5°	90.0°
C22	C23	C24	S25	176.6°	90.0°
C22	C23	C24	C27	61.6°	90.0°
C22	C23	C24	H24	56.0°	90.0°
H22	C22	C23	C24	73.7°	90.0°
H22	C22	C23	H23	166.3°	90.0°
H22	C22	C23	H23A	46.3°	90.0°
C24	C23	H23	H23A	120.5°	90.0°
C23	C24	S25	C27	125.3°	90.0°
C23	C24	S25	H24	116.8°	90.0°
C23	C24	C27	H24	116.5°	90.0°
C23	C24	S25	C26	58.1°	90.0°
C23	C24	C27	O28	140.1°	90.0°
H23	C23	C24	S25	63.4°	90.0°
H23	C23	C24	C27	58.4°	90.0°
H23	C23	C24	H24	176.0°	90.0°
H23A	C23	C24	S25	56.6°	90.0°
H23A	C23	C24	C27	178.4°	90.0°
H23A	C23	C24	H24	64.0°	90.0°
S25	C24	C27	H24	120.6°	90.0°
C24	S25	C26	H26	180.0°	90.0°
C24	S25	C26	H26A	60.0°	90.0°
C24	S25	C26	H26B	60.0°	90.0°
S25	C24	C27	O28	17.2°	90.0°
C27	C24	S25	C26	176.6°	90.0°
H24	C24	S25	C26	58.6°	90.0°
H24	C24	C27	O28	103.4°	90.0°
S25	C26	H26	H26A	120.0°	90.0°
S25	C26	H26	H26B	120.0°	90.0°
S25	C26	H26A	H26B	120.0°	90.0°
H26	C26	H26A	H26B	120.0°	90.0°
C30	C29	C35	H29	112.8°	90.0°
C29	C30	C31	H30	120.0°	90.0°
C29	C30	C31	H30A	120.0°	90.0°
C29	C30	H30	H30A	116.5°	90.0°
C29	C30	C31	C32	176.0°	90.0°
C29	C30	C31	H31	64.0°	90.0°
C29	C30	C31	H31A	56.0°	90.0°
C30	C29	C35	C36	135.7°	90.0°
C30	C29	C35	H35	24.1°	90.0°
C35	C29	C30	C31	69.2°	90.0°
C35	C29	C30	H30	170.7°	90.0°
C35	C29	C30	H30A	50.8°	90.0°
C29	C35	C36	H35	120.1°	90.0°
C29	C35	C36	C37	65.7°	90.0°
C29	C35	C36	H36	174.3°	90.0°
C29	C35	C36	H36A	54.4°	90.0°
H29	C29	C30	C31	51.0°	90.0°
H29	C29	C30	H30	69.0°	90.0°
H29	C29	C30	H30A	171.0°	90.0°
H29	C29	C35	C36	22.9°	90.0°
H29	C29	C35	H35	88.7°	90.0°
C31	C30	H30	H30A	116.5°	90.0°
C30	C31	C32	H31	120.0°	90.0°
C30	C31	C32	H31A	120.0°	90.0°
C30	C31	H31	H31A	117.6°	90.0°
C30	C31	C32	O33	0.0°	90.0°
C30	C31	C32	O34	179.3°	90.0°
H30	C30	C31	C32	56.0°	90.0°
H30	C30	C31	H31	176.0°	90.0°
H30	C30	C31	H31A	64.0°	90.0°
H30A	C30	C31	C32	63.9°	90.0°
H30A	C30	C31	H31	56.1°	90.0°
H30A	C30	C31	H31A	176.0°	90.0°
C32	C31	H31	H31A	117.6°	90.0°
C31	C32	O33	O34	179.3°	90.0°
C31	C32	O33	H50	179.3°	90.0°
H31	C31	C32	O33	120.0°	90.0°
H31	C31	C32	O34	60.7°	90.0°
H31A	C31	C32	O33	120.0°	90.0°
H31A	C31	C32	O34	59.3°	90.0°
O34	C32	O33	H50	0.0°	90.0°
C35	C36	C37	H36	120.0°	90.0°
C35	C36	C37	H36A	120.0°	90.0°
C35	C36	H36	H36A	118.7°	90.0°
C35	C36	C37	O38	60.2°	90.0°
C35	C36	C37	O39	116.6°	90.0°
H35	C35	C36	C37	54.4°	90.0°
H35	C35	C36	H36	65.6°	90.0°
H35	C35	C36	H36A	174.5°	90.0°
C37	C36	H36	H36A	118.7°	90.0°
C36	C37	O38	O39	176.8°	90.0°
C36	C37	O39	H51	176.6°	90.0°
H36	C36	C37	O38	59.9°	90.0°
H36	C36	C37	O39	123.4°	90.0°
H36A	C36	C37	O38	179.8°	90.0°
H36A	C36	C37	O39	3.4°	90.0°
O38	C37	O39	H51	0.0°	90.0°
C41	C40	C46	H40	113.6°	90.0°
C40	C41	C42	H41	120.0°	90.0°
C40	C41	C42	H41A	120.0°	90.0°
C40	C41	H41	H41A	117.7°	90.0°
C40	C41	C42	C43	165.2°	90.0°
C40	C41	C42	H42	45.2°	90.0°
C40	C41	C42	H42A	74.8°	90.0°
C41	C40	C46	C47	22.5°	90.0°
C41	C40	C46	C48	147.6°	90.0°
C46	C40	C41	C42	163.7°	90.0°
C46	C40	C41	H41	43.7°	90.0°
C46	C40	C41	H41A	76.3°	90.0°
C40	C46	C47	C48	130.0°	90.0°
C40	C46	C47	H47	64.7°	90.0°
C40	C46	C47	H47A	55.3°	90.0°
C40	C46	C47	H47B	175.3°	90.0°
C40	C46	C48	C49	137.2°	90.0°
C40	C46	C48	H48	17.1°	90.0°
C40	C46	C48	H48A	102.8°	90.0°
H40	C40	C41	C42	79.7°	90.0°
H40	C40	C41	H41	160.3°	90.0°
H40	C40	C41	H41A	40.4°	90.0°
H40	C40	C46	C47	91.1°	90.0°
H40	C40	C46	C48	34.0°	90.0°
C42	C41	H41	H41A	117.7°	90.0°
C41	C42	C43	H42	120.0°	90.0°
C41	C42	C43	H42A	120.0°	90.0°
C41	C42	H42	H42A	117.8°	90.0°
C41	C42	C43	O44	136.8°	90.0°
C41	C42	C43	O45	42.5°	90.0°
H41	C41	C42	C43	74.8°	90.0°
H41	C41	C42	H42	165.2°	90.0°
H41	C41	C42	H42A	45.2°	90.0°
H41A	C41	C42	C43	45.2°	90.0°
H41A	C41	C42	H42	74.8°	90.0°
H41A	C41	C42	H42A	165.2°	90.0°
C43	C42	H42	H42A	117.8°	90.0°
C42	C43	O44	O45	179.3°	90.0°
C42	C43	O45	H521	179.3°	90.0°
H42	C42	C43	O44	103.2°	90.0°
H42	C42	C43	O45	77.6°	90.0°
H42A	C42	C43	O44	16.8°	90.0°
H42A	C42	C43	O45	162.5°	90.0°
O44	C43	O45	H521	0.0°	90.0°
C46	C47	H47	H47A	120.0°	90.0°
C46	C47	H47	H47B	120.0°	90.0°
C46	C47	H47A	H47B	120.0°	90.0°
C47	C46	C48	C49	98.4°	90.0°
C47	C46	C48	H48	141.6°	90.0°
C47	C46	C48	H48A	21.6°	90.0°
C48	C46	C47	H47	65.4°	90.0°
C48	C46	C47	H47A	174.6°	90.0°
C48	C46	C47	H47B	54.6°	90.0°
C46	C48	C49	H48	120.0°	90.0°
C46	C48	C49	H48A	120.0°	90.0°
C46	C48	H48	H48A	122.4°	90.0°
C46	C48	C49	O50	162.0°	90.0°
C46	C48	C49	N51	16.9°	90.0°
H47	C47	H47A	H47B	120.0°	90.0°
C49	C48	H48	H48A	122.4°	90.0°
C48	C49	O50	N51	178.8°	90.0°
C48	C49	N51	HN51	178.6°	90.0°
H48	C48	C49	O50	78.0°	90.0°
H48	C48	C49	N51	103.1°	90.0°
H48A	C48	C49	O50	41.9°	90.0°
H48A	C48	C49	N51	136.9°	90.0°
O50	C49	N51	HN51	0.2°	90.0°
C53	C52	C58	H52	104.8°	90.0°
C52	C53	C54	H53	120.0°	90.0°
C52	C53	C54	H53A	120.0°	90.0°
C52	C53	H53	H53A	117.2°	90.0°
C52	C53	C54	C55	138.9°	90.0°
C52	C53	C54	H54	101.1°	90.0°
C52	C53	C54	H54A	18.9°	90.0°
C53	C52	C58	C59	15.6°	90.0°
C53	C52	C58	C60	147.8°	90.0°
C58	C52	C53	C54	69.0°	90.0°
C58	C52	C53	H53	171.0°	90.0°
C58	C52	C53	H53A	51.0°	90.0°
C52	C58	C59	C60	113.6°	90.0°
C52	C58	C59	H59	82.3°	90.0°
C52	C58	C59	H59A	37.7°	90.0°
C52	C58	C59	H59B	157.7°	90.0°
C52	C58	C60	C61	79.8°	90.0°
C52	C58	C60	H60	160.2°	90.0°
C52	C58	C60	H60A	40.2°	90.0°
H52	C52	C53	C54	40.3°	90.0°
H52	C52	C53	H53	79.7°	90.0°
H52	C52	C53	H53A	160.3°	90.0°
H52	C52	C58	C59	89.2°	90.0°
H52	C52	C58	C60	43.0°	90.0°
C54	C53	H53	H53A	117.2°	90.0°
C53	C54	C55	H54	120.0°	90.0°
C53	C54	C55	H54A	120.0°	90.0°
C53	C54	H54	H54A	117.8°	90.0°
C53	C54	C55	O56	61.7°	90.0°
C53	C54	C55	O57	118.6°	90.0°
H53	C53	C54	C55	18.9°	90.0°
H53	C53	C54	H54	138.8°	90.0°
H53	C53	C54	H54A	101.1°	90.0°
H53A	C53	C54	C55	101.1°	90.0°
H53A	C53	C54	H54	18.8°	90.0°
H53A	C53	C54	H54A	138.9°	90.0°
C55	C54	H54	H54A	117.8°	90.0°
C54	C55	O56	O57	179.6°	90.0°
C54	C55	O57	H531	179.6°	90.0°
H54	C54	C55	O56	58.2°	90.0°
H54	C54	C55	O57	121.4°	90.0°
H54A	C54	C55	O56	178.3°	90.0°
H54A	C54	C55	O57	1.3°	90.0°
O56	C55	O57	H531	0.0°	90.0°
C58	C59	H59	H59A	120.0°	90.0°
C58	C59	H59	H59B	120.0°	90.0°
C58	C59	H59A	H59B	120.0°	90.0°
C59	C58	C60	C61	34.7°	90.0°
C59	C58	C60	H60	85.3°	90.0°
C59	C58	C60	H60A	154.7°	90.0°
C60	C58	C59	H59	31.4°	90.0°
C60	C58	C59	H59A	151.4°	90.0°
C60	C58	C59	H59B	88.6°	90.0°
C58	C60	C61	H60	120.0°	90.0°
C58	C60	C61	H60A	120.0°	90.0°
C58	C60	H60	H60A	117.9°	90.0°
C58	C60	C61	N62	117.4°	90.0°
C58	C60	C61	O63	63.1°	90.0°
H59	C59	H59A	H59B	120.0°	90.0°
C61	C60	H60	H60A	117.9°	90.0°
C60	C61	N62	O63	179.5°	90.0°
C60	C61	N62	HN62	179.5°	90.0°
C60	C61	N62	HN6A	0.5°	90.0°
H60	C60	C61	N62	122.6°	90.0°
H60	C60	C61	O63	56.9°	90.0°
H60A	C60	C61	N62	2.6°	90.0°
H60A	C60	C61	O63	176.9°	90.0°
C61	N62	HN62	HN6A	180.0°	90.0°
O63	C61	N62	HN62	0.0°	90.0°
O63	C61	N62	HN6A	180.0°	90.0°

Definition date:	2011-09-29
Last modified:	2011-11-25
Release status:	REL
Processing site:	RCSB
Derived from:	3SQG