MA4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.40Å
C1	O5	sing	1.43Å	1.46Å
C1	O1	sing	1.43Å	1.43Å
C1	H11	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.41Å
C2	O2	sing	1.43Å	1.43Å
C2	H21	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.40Å
C3	O3	sing	1.43Å	1.44Å
C3	H31	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.41Å
C4	O4	sing	1.43Å	1.44Å
C4	H41	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.51Å
C5	O5	sing	1.43Å	1.49Å
C5	H51	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.43Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.12Å
O2	HO2	sing	0.97Å	0.95Å
O3	HO3	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å
O1	C40	sing	1.43Å	1.42Å
O4	HO4	sing	0.97Å	0.95Å
C10	C20	sing	1.53Å	1.41Å
C10	O10	sing	1.43Å	1.46Å
C10	O50	sing	1.43Å	1.49Å
C10	H101	sing	1.09Å	1.12Å
C20	C30	sing	1.53Å	1.40Å
C20	O20	sing	1.43Å	1.43Å
C20	H201	sing	1.09Å	1.11Å
C30	C40	sing	1.53Å	1.41Å
C30	O30	sing	1.43Å	1.45Å
C30	H301	sing	1.09Å	1.12Å
C40	C50	sing	1.53Å	1.42Å
C40	H401	sing	1.09Å	1.11Å
C50	C60	sing	1.53Å	1.52Å
C50	O50	sing	1.42Å	1.49Å
C50	H501	sing	1.09Å	1.12Å
C60	O60	sing	1.43Å	1.42Å
C60	H601	sing	1.09Å	1.12Å
C60	H602	sing	1.09Å	1.12Å
O10	C11	sing	1.43Å	1.43Å
O20	HO20	sing	0.97Å	0.95Å
O30	HO30	sing	0.97Å	0.95Å
O60	HO60	sing	0.97Å	0.95Å
C11	C21	sing	1.53Å	1.52Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C21	C31	sing	1.53Å	1.52Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.12Å
C31	C41	sing	1.53Å	1.53Å
C31	H311	sing	1.09Å	1.11Å
C31	H312	sing	1.09Å	1.11Å
C41	C51	sing	1.53Å	1.53Å
C41	H411	sing	1.09Å	1.12Å
C41	H412	sing	1.09Å	1.12Å
C51	C61	sing	1.53Å	1.53Å
C51	H511	sing	1.09Å	1.12Å
C51	H512	sing	1.09Å	1.11Å
C61	C12	sing	1.53Å	1.53Å
C61	H611	sing	1.09Å	1.11Å
C61	H612	sing	1.09Å	1.12Å
C12	C22	sing	1.53Å	1.54Å
C12	C62	sing	1.53Å	1.54Å
C12	H121	sing	1.09Å	1.12Å
C22	C32	sing	1.53Å	1.54Å
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.11Å
C32	C42	sing	1.53Å	1.54Å
C32	H321	sing	1.09Å	1.12Å
C32	H322	sing	1.09Å	1.11Å
C42	C52	sing	1.53Å	1.54Å
C42	H421	sing	1.09Å	1.12Å
C42	H422	sing	1.09Å	1.12Å
C52	C62	sing	1.53Å	1.54Å
C52	H521	sing	1.09Å	1.12Å
C52	H522	sing	1.09Å	1.12Å
C62	H621	sing	1.09Å	1.12Å
C62	H622	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	O5	109.8°	109.8°
C2	C1	O1	109.0°	109.4°
C2	C1	H11	109.1°	109.4°
C1	C2	C3	117.4°	109.0°
C1	C2	O2	110.1°	109.6°
C1	C2	H21	104.2°	109.5°
O5	C1	O1	108.0°	109.4°
O5	C1	H11	110.1°	109.4°
C1	O5	C5	115.0°	107.6°
O1	C1	H11	110.8°	109.4°
C1	O1	C40	111.4°	106.9°
C3	C2	O2	112.0°	109.6°
C3	C2	H21	101.8°	109.5°
C2	C3	C4	117.5°	108.6°
C2	C3	O3	112.8°	109.6°
C2	C3	H31	101.0°	109.5°
O2	C2	H21	110.6°	109.6°
C2	O2	HO2	110.0°	106.8°
C4	C3	O3	109.8°	109.8°
C4	C3	H31	104.6°	109.7°
C3	C4	C5	119.2°	109.0°
C3	C4	O4	110.1°	109.6°
C3	C4	H41	102.0°	109.6°
O3	C3	H31	110.2°	109.6°
C3	O3	HO3	112.8°	106.8°
C5	C4	O4	109.8°	109.5°
C5	C4	H41	102.3°	109.7°
C4	C5	C6	119.9°	109.4°
C4	C5	O5	112.6°	109.7°
C4	C5	H51	99.1°	109.4°
O4	C4	H41	113.0°	109.6°
C4	O4	HO4	110.1°	106.7°
C6	C5	O5	110.3°	109.4°
C6	C5	H51	102.2°	109.4°
C5	C6	O6	109.5°	109.5°
C5	C6	H61	112.2°	109.5°
C5	C6	H62	112.2°	109.5°
O5	C5	H51	111.5°	109.4°
O6	C6	H61	112.2°	109.5°
O6	C6	H62	112.2°	109.5°
C6	O6	HO6	109.5°	106.8°
H61	C6	H62	98.2°	109.4°
O1	C40	C30	110.6°	109.6°
O1	C40	C50	110.0°	109.6°
O1	C40	H401	112.4°	109.4°
C20	C10	O10	110.6°	109.4°
C20	C10	O50	108.8°	109.8°
C20	C10	H101	109.5°	109.4°
C10	C20	C30	118.0°	109.0°
C10	C20	O20	112.8°	109.6°
C10	C20	H201	101.2°	109.5°
O10	C10	O50	110.7°	109.4°
O10	C10	H101	107.6°	109.4°
C10	O10	C11	111.2°	106.8°
O50	C10	H101	109.5°	109.4°
C10	O50	C50	115.3°	107.7°
C30	C20	O20	111.6°	109.5°
C30	C20	H201	102.7°	109.5°
C20	C30	C40	117.1°	108.7°
C20	C30	O30	110.9°	109.8°
C20	C30	H301	103.7°	109.6°
O20	C20	H201	109.2°	109.6°
C20	O20	HO20	112.8°	106.8°
C40	C30	O30	112.0°	109.6°
C40	C30	H301	102.4°	109.5°
C30	C40	C50	119.0°	109.1°
C30	C40	H401	101.8°	109.5°
O30	C30	H301	109.8°	109.5°
C30	O30	HO30	110.9°	106.8°
C50	C40	H401	102.5°	109.5°
C40	C50	C60	120.9°	109.5°
C40	C50	O50	113.8°	109.9°
C40	C50	H501	97.0°	109.3°
C60	C50	O50	110.6°	109.4°
C60	C50	H501	101.4°	109.3°
C50	C60	O60	110.6°	109.5°
C50	C60	H601	111.8°	109.5°
C50	C60	H602	111.7°	109.5°
O50	C50	H501	111.0°	109.4°
O60	C60	H601	111.8°	109.5°
O60	C60	H602	111.9°	109.4°
C60	O60	HO60	110.6°	106.8°
H601	C60	H602	98.6°	109.4°
O10	C11	C21	109.0°	109.5°
O10	C11	H111	112.4°	109.4°
O10	C11	H112	112.4°	109.5°
C21	C11	H111	112.4°	109.5°
C21	C11	H112	112.3°	109.5°
C11	C21	C31	109.4°	109.5°
C11	C21	H211	112.2°	109.5°
C11	C21	H212	112.3°	109.5°
H111	C11	H112	98.1°	109.5°
C31	C21	H211	112.2°	109.5°
C31	C21	H212	112.2°	109.5°
C21	C31	C41	109.3°	109.5°
C21	C31	H311	112.3°	109.5°
C21	C31	H312	112.3°	109.4°
H211	C21	H212	98.2°	109.5°
C41	C31	H311	112.3°	109.5°
C41	C31	H312	112.3°	109.4°
C31	C41	C51	109.1°	109.5°
C31	C41	H411	112.4°	109.4°
C31	C41	H412	112.4°	109.4°
H311	C31	H312	98.2°	109.5°
C51	C41	H411	112.4°	109.5°
C51	C41	H412	112.3°	109.5°
C41	C51	C61	109.3°	109.5°
C41	C51	H511	112.3°	109.5°
C41	C51	H512	112.3°	109.5°
H411	C41	H412	98.0°	109.5°
C61	C51	H511	112.2°	109.4°
C61	C51	H512	112.3°	109.4°
C51	C61	C12	109.8°	109.5°
C51	C61	H611	112.1°	109.5°
C51	C61	H612	112.1°	109.4°
H511	C51	H512	98.1°	109.5°
C12	C61	H611	112.1°	109.5°
C12	C61	H612	112.0°	109.4°
C61	C12	C22	109.6°	109.5°
C61	C12	C62	109.6°	109.5°
C61	C12	H121	109.4°	109.5°
H611	C61	H612	98.3°	109.5°
C22	C12	C62	109.8°	109.4°
C22	C12	H121	109.2°	109.5°
C12	C22	C32	110.7°	109.5°
C12	C22	H221	111.8°	109.5°
C12	C22	H222	111.7°	109.5°
C62	C12	H121	109.2°	109.5°
C12	C62	C52	110.3°	109.5°
C12	C62	H621	111.9°	109.5°
C12	C62	H622	111.9°	109.4°
C32	C22	H221	111.7°	109.5°
C32	C22	H222	111.8°	109.5°
C22	C32	C42	110.4°	109.5°
C22	C32	H321	111.8°	109.4°
C22	C32	H322	111.9°	109.5°
H221	C22	H222	98.7°	109.5°
C42	C32	H321	111.9°	109.5°
C42	C32	H322	111.9°	109.5°
C32	C42	C52	110.3°	109.5°
C32	C42	H421	111.9°	109.5°
C32	C42	H422	112.0°	109.5°
H321	C32	H322	98.6°	109.5°
C52	C42	H421	111.9°	109.5°
C52	C42	H422	111.9°	109.5°
C42	C52	C62	110.7°	109.4°
C42	C52	H521	111.8°	109.5°
C42	C52	H522	111.8°	109.5°
H421	C42	H422	98.5°	109.5°
C62	C52	H521	111.8°	109.4°
C62	C52	H522	111.8°	109.5°
C52	C62	H621	111.9°	109.5°
C52	C62	H622	111.9°	109.5°
H521	C52	H522	98.5°	109.5°
H621	C62	H622	98.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	O5	O1	118.8°	120.1°
C2	C1	O5	H11	120.1°	120.1°
C2	C1	O1	H11	120.1°	119.9°
C1	C2	C3	O2	128.8°	119.9°
C1	C2	C3	H21	113.0°	119.8°
C1	C2	O2	H21	114.6°	120.2°
C1	C2	C3	C4	37.8°	53.7°
C1	C2	C3	O3	167.2°	173.6°
C1	C2	C3	H31	75.1°	66.1°
C2	C1	O5	C5	51.5°	67.6°
C1	C2	O2	HO2	180.0°	60.0°
C2	C1	O1	C40	130.2°	162.5°
O5	C1	O1	H11	120.7°	119.8°
O5	C1	C2	C3	48.2°	61.2°
O5	C1	C2	O2	177.9°	178.8°
O5	C1	C2	H21	63.4°	58.5°
C1	O5	C5	C4	43.7°	67.7°
C1	O5	C5	C6	179.3°	172.3°
C1	O5	C5	H51	66.6°	52.4°
O5	C1	O1	C40	110.6°	77.2°
O1	C1	C2	C3	69.9°	58.8°
O1	C1	C2	O2	59.8°	61.2°
O1	C1	C2	H21	178.4°	178.6°
O1	C1	O5	C5	67.2°	52.4°
C1	O1	C40	C30	114.0°	83.3°
C1	O1	C40	C50	112.5°	157.0°
C1	O1	C40	H401	1.0°	36.8°
H11	C1	C2	C3	168.9°	178.7°
H11	C1	C2	O2	61.4°	58.7°
H11	C1	C2	H21	57.3°	61.5°
H11	C1	O5	C5	171.7°	172.2°
H11	C1	O1	C40	10.1°	42.6°
C3	C2	O2	H21	112.8°	120.2°
C2	C3	C4	O3	130.8°	119.8°
C2	C3	C4	H31	111.0°	119.7°
C2	C3	O3	H31	112.0°	120.3°
C2	C3	C4	C5	28.9°	53.8°
C2	C3	C4	O4	157.0°	173.6°
C2	C3	C4	H41	82.8°	66.2°
C3	C2	O2	HO2	47.4°	179.6°
C2	C3	O3	HO3	180.0°	60.0°
O2	C2	C3	C4	166.6°	173.7°
O2	C2	C3	O3	64.0°	66.4°
O2	C2	C3	H31	53.6°	53.9°
H21	C2	C3	C4	75.2°	66.1°
H21	C2	C3	O3	54.2°	53.8°
H21	C2	C3	H31	171.8°	174.1°
H21	C2	O2	HO2	65.4°	60.2°
C4	C3	O3	H31	114.7°	120.5°
C3	C4	C5	O4	128.3°	119.8°
C3	C4	C5	H41	111.5°	119.9°
C3	C4	O4	H41	113.3°	120.2°
C3	C4	C5	C6	163.9°	178.6°
C3	C4	C5	O5	31.6°	61.4°
C3	C4	C5	H51	86.3°	58.7°
C4	C3	O3	HO3	46.8°	179.2°
C3	C4	O4	HO4	180.0°	60.0°
O3	C3	C4	C5	159.6°	173.7°
O3	C3	C4	O4	72.2°	66.6°
O3	C3	C4	H41	48.0°	53.6°
H31	C3	C4	C5	82.1°	65.9°
H31	C3	C4	O4	46.1°	53.9°
H31	C3	C4	H41	166.3°	174.1°
H31	C3	O3	HO3	67.9°	60.3°
C5	C4	O4	H41	113.5°	120.3°
C4	C5	C6	O5	133.3°	120.2°
C4	C5	C6	H51	108.1°	119.9°
C4	C5	O5	H51	110.3°	120.1°
C4	C5	C6	O6	67.4°	179.9°
C4	C5	C6	H61	167.3°	60.1°
C4	C5	C6	H62	57.9°	59.9°
C5	C4	O4	HO4	46.8°	179.5°
O4	C4	C5	C6	67.8°	58.8°
O4	C4	C5	O5	159.8°	178.8°
O4	C4	C5	H51	41.9°	61.1°
H41	C4	C5	C6	52.4°	61.5°
H41	C4	C5	O5	79.9°	58.6°
H41	C4	C5	H51	162.2°	178.6°
H41	C4	O4	HO4	66.7°	60.2°
C6	C5	O5	H51	112.7°	119.9°
C5	C6	O6	H61	125.3°	120.0°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	118.1°	120.0°
C5	C6	O6	HO6	179.9°	179.9°
O5	C5	C6	O6	65.9°	59.9°
O5	C5	C6	H61	59.4°	60.1°
O5	C5	C6	H62	168.8°	179.9°
H51	C5	C6	O6	175.5°	60.0°
H51	C5	C6	H61	59.2°	180.0°
H51	C5	C6	H62	50.2°	60.0°
O6	C6	H61	H62	118.1°	120.0°
H61	C6	O6	HO6	54.8°	59.9°
H62	C6	O6	HO6	54.7°	60.0°
O1	C40	C30	C20	159.4°	173.6°
O1	C40	C30	C50	128.8°	120.0°
O1	C40	C30	H401	119.6°	120.1°
O1	C40	C30	O30	70.8°	66.4°
O1	C40	C30	H301	46.8°	53.9°
O1	C40	C50	H401	119.7°	120.1°
O1	C40	C50	C60	65.4°	58.7°
O1	C40	C50	O50	159.1°	178.9°
O1	C40	C50	H501	42.4°	61.0°
C20	C10	O10	O50	120.8°	120.4°
C20	C10	O10	H101	119.6°	119.8°
C20	C10	O50	H101	119.7°	120.1°
C10	C20	C30	O20	133.0°	119.9°
C10	C20	C30	H201	110.2°	119.8°
C10	C20	O20	H201	111.7°	120.2°
C10	C20	C30	C40	42.0°	53.7°
C10	C20	C30	O30	172.3°	173.6°
C10	C20	C30	H301	69.9°	66.0°
C20	C10	O50	C50	48.7°	67.5°
C20	C10	O10	C11	174.5°	180.0°
C10	C20	O20	HO20	180.0°	60.4°
O10	C10	O50	H101	118.5°	119.8°
O10	C10	C20	C30	171.7°	178.7°
O10	C10	C20	O20	55.9°	58.8°
O10	C10	C20	H201	60.7°	61.5°
O10	C10	O50	C50	170.6°	172.4°
C10	O10	C11	C21	121.5°	180.0°
C10	O10	C11	H111	3.8°	60.0°
C10	O10	C11	H112	113.3°	60.0°
O50	C10	C20	C30	49.8°	61.2°
O50	C10	C20	O20	177.8°	178.9°
O50	C10	C20	H201	61.2°	58.6°
C10	O50	C50	C40	40.0°	67.4°
C10	O50	C50	C60	180.0°	172.4°
C10	O50	C50	H501	68.2°	52.7°
O50	C10	O10	C11	64.8°	59.6°
H101	C10	C20	C30	69.9°	58.9°
H101	C10	C20	O20	62.6°	61.0°
H101	C10	C20	H201	179.1°	178.7°
H101	C10	O50	C50	71.0°	52.6°
H101	C10	O10	C11	54.8°	60.2°
C30	C20	O20	H201	112.8°	120.2°
C20	C30	C40	O30	129.8°	120.0°
C20	C30	C40	H301	112.6°	119.8°
C20	C30	O30	H301	114.0°	120.4°
C20	C30	C40	C50	30.6°	53.6°
C20	C30	C40	H401	80.9°	66.3°
C30	C20	O20	HO20	44.5°	180.0°
C20	C30	O30	HO30	179.9°	60.7°
O20	C20	C30	C40	174.9°	173.6°
O20	C20	C30	O30	54.8°	66.5°
O20	C20	C30	H301	63.0°	53.9°
H201	C20	C30	C40	68.2°	66.2°
H201	C20	C30	O30	62.1°	53.8°
H201	C20	C30	H301	179.9°	174.2°
H201	C20	O20	HO20	68.3°	59.8°
C40	C30	O30	H301	113.1°	120.2°
C30	C40	C50	H401	111.2°	119.9°
C30	C40	C50	C60	165.5°	178.8°
C30	C40	C50	O50	30.0°	61.0°
C30	C40	C50	H501	86.7°	59.1°
C40	C30	O30	HO30	47.1°	180.0°
O30	C30	C40	C50	160.4°	173.6°
O30	C30	C40	H401	48.8°	53.7°
H301	C30	C40	C50	82.0°	66.2°
H301	C30	C40	H401	166.4°	173.9°
H301	C30	O30	HO30	65.9°	59.8°
C40	C50	C60	O50	136.7°	120.5°
C40	C50	C60	H501	105.4°	119.7°
C40	C50	O50	H501	108.2°	120.1°
C40	C50	C60	O60	69.4°	177.5°
C40	C50	C60	H601	165.3°	57.5°
C40	C50	C60	H602	55.9°	62.5°
H401	C40	C50	C60	54.3°	61.3°
H401	C40	C50	O50	81.2°	58.8°
H401	C40	C50	H501	162.1°	179.0°
C60	C50	O50	H501	111.8°	119.7°
C50	C60	O60	H601	125.3°	120.0°
C50	C60	O60	H602	125.2°	120.0°
C50	C60	H601	H602	117.6°	120.0°
C50	C60	O60	HO60	180.0°	180.0°
O50	C50	C60	O60	67.3°	62.0°
O50	C50	C60	H601	58.0°	178.0°
O50	C50	C60	H602	167.4°	58.0°
H501	C50	C60	O60	174.8°	57.8°
H501	C50	C60	H601	59.9°	62.2°
H501	C50	C60	H602	49.5°	177.8°
O60	C60	H601	H602	117.8°	120.0°
H601	C60	O60	HO60	54.7°	60.0°
H602	C60	O60	HO60	54.8°	60.0°
O10	C11	C21	H111	125.2°	120.0°
O10	C11	C21	H112	125.3°	120.1°
O10	C11	H111	H112	118.3°	120.0°
O10	C11	C21	C31	166.6°	180.0°
O10	C11	C21	H211	41.3°	60.0°
O10	C11	C21	H212	68.2°	59.9°
C21	C11	H111	H112	118.3°	120.0°
C11	C21	C31	H211	125.3°	120.0°
C11	C21	C31	H212	125.3°	120.0°
C11	C21	H211	H212	118.2°	120.0°
C11	C21	C31	C41	147.5°	179.9°
C11	C21	C31	H311	22.3°	60.0°
C11	C21	C31	H312	87.2°	60.0°
H111	C11	C21	C31	68.2°	60.0°
H111	C11	C21	H211	166.6°	180.0°
H111	C11	C21	H212	57.1°	60.0°
H112	C11	C21	C31	41.3°	60.0°
H112	C11	C21	H211	84.0°	60.0°
H112	C11	C21	H212	166.6°	180.0°
C31	C21	H211	H212	118.1°	120.0°
C21	C31	C41	H311	125.3°	120.0°
C21	C31	C41	H312	125.2°	119.9°
C21	C31	H311	H312	118.2°	120.0°
C21	C31	C41	C51	145.7°	180.0°
C21	C31	C41	H411	89.0°	60.0°
C21	C31	C41	H412	20.4°	60.0°
H211	C21	C31	C41	87.2°	60.0°
H211	C21	C31	H311	147.5°	180.0°
H211	C21	C31	H312	38.0°	60.0°
H212	C21	C31	C41	22.2°	60.0°
H212	C21	C31	H311	103.0°	60.0°
H212	C21	C31	H312	147.5°	180.0°
C41	C31	H311	H312	118.2°	120.0°
C31	C41	C51	H411	125.3°	120.0°
C31	C41	C51	H412	125.3°	120.0°
C31	C41	H411	H412	118.3°	119.9°
C31	C41	C51	C61	117.1°	NaN°
C31	C41	C51	H511	117.7°	60.0°
C31	C41	C51	H512	8.2°	60.0°
H311	C31	C41	C51	20.4°	60.0°
H311	C31	C41	H411	145.7°	180.0°
H311	C31	C41	H412	104.8°	60.0°
H312	C31	C41	C51	89.1°	60.1°
H312	C31	C41	H411	36.3°	60.0°
H312	C31	C41	H412	145.7°	179.9°
C51	C41	H411	H412	118.2°	120.0°
C41	C51	C61	H511	125.2°	120.1°
C41	C51	C61	H512	125.3°	120.0°
C41	C51	H511	H512	118.2°	120.0°
C41	C51	C61	C12	174.7°	180.0°
C41	C51	C61	H611	49.4°	59.9°
C41	C51	C61	H612	60.1°	60.1°
H411	C41	C51	C61	8.2°	60.0°
H411	C41	C51	H511	117.0°	180.0°
H411	C41	C51	H512	133.5°	60.0°
H412	C41	C51	C61	117.6°	60.0°
H412	C41	C51	H511	7.7°	60.0°
H412	C41	C51	H512	117.1°	180.0°
C61	C51	H511	H512	118.2°	119.9°
C51	C61	C12	H611	125.3°	120.0°
C51	C61	C12	H612	125.2°	119.9°
C51	C61	H611	H612	118.0°	120.0°
C51	C61	C12	C22	53.9°	179.9°
C51	C61	C12	C62	66.7°	60.0°
C51	C61	C12	H121	173.7°	60.0°
H511	C51	C61	C12	60.1°	60.0°
H511	C51	C61	H611	174.6°	180.0°
H511	C51	C61	H612	65.1°	60.0°
H512	C51	C61	C12	49.4°	60.0°
H512	C51	C61	H611	75.9°	60.0°
H512	C51	C61	H612	174.6°	180.0°
C12	C61	H611	H612	118.0°	120.0°
C61	C12	C22	C62	120.4°	120.0°
C61	C12	C22	H121	119.9°	120.0°
C61	C12	C62	H121	119.8°	120.0°
C61	C12	C22	C32	160.7°	180.0°
C61	C12	C22	H221	35.5°	60.0°
C61	C12	C22	H222	74.0°	60.0°
C61	C12	C62	C52	172.3°	180.0°
C61	C12	C62	H621	47.0°	60.0°
C61	C12	C62	H622	62.4°	60.0°
H611	C61	C12	C22	71.4°	60.0°
H611	C61	C12	C62	168.1°	180.0°
H611	C61	C12	H121	48.4°	60.0°
H612	C61	C12	C22	179.2°	60.0°
H612	C61	C12	C62	58.6°	59.9°
H612	C61	C12	H121	61.1°	180.0°
C22	C12	C62	H121	119.7°	120.0°
C12	C22	C32	H221	125.2°	120.0°
C12	C22	C32	H222	125.2°	120.0°
C12	C22	H221	H222	117.6°	120.0°
C12	C22	C32	C42	23.3°	60.0°
C12	C22	C32	H321	101.9°	60.0°
C12	C22	C32	H322	148.5°	180.0°
C22	C12	C62	C52	67.3°	60.0°
C22	C12	C62	H621	167.4°	60.0°
C22	C12	C62	H622	58.0°	180.0°
C62	C12	C22	C32	40.3°	60.0°
C62	C12	C22	H221	84.9°	180.0°
C62	C12	C22	H222	165.6°	60.0°
C12	C62	C52	C42	24.1°	60.0°
C12	C62	C52	H621	125.3°	120.0°
C12	C62	C52	H622	125.3°	119.9°
C12	C62	C52	H521	149.4°	59.9°
C12	C62	C52	H522	101.2°	180.0°
C12	C62	H621	H622	117.8°	120.0°
H121	C12	C22	C32	79.4°	60.0°
H121	C12	C22	H221	155.3°	60.0°
H121	C12	C22	H222	45.8°	180.0°
H121	C12	C62	C52	52.4°	60.0°
H121	C12	C62	H621	72.8°	180.0°
H121	C12	C62	H622	177.7°	60.0°
C32	C22	H221	H222	117.7°	120.0°
C22	C32	C42	H321	125.2°	119.9°
C22	C32	C42	H322	125.3°	120.0°
C22	C32	H321	H322	117.8°	120.0°
C22	C32	C42	C52	66.6°	60.0°
C22	C32	C42	H421	168.2°	180.0°
C22	C32	C42	H422	58.7°	60.0°
H221	C22	C32	C42	148.5°	180.0°
H221	C22	C32	H321	23.3°	60.0°
H221	C22	C32	H322	86.2°	60.0°
H222	C22	C32	C42	101.9°	60.0°
H222	C22	C32	H321	132.8°	180.0°
H222	C22	C32	H322	23.3°	60.0°
C42	C32	H321	H322	117.8°	120.1°
C32	C42	C52	H421	125.3°	120.0°
C32	C42	C52	H422	125.3°	120.0°
C32	C42	H421	H422	117.9°	120.0°
C32	C42	C52	C62	39.7°	60.0°
C32	C42	C52	H521	85.6°	59.9°
C32	C42	C52	H522	165.0°	180.0°
H321	C32	C42	C52	58.6°	59.9°
H321	C32	C42	H421	66.6°	60.1°
H321	C32	C42	H422	176.1°	180.0°
H322	C32	C42	C52	168.2°	180.0°
H322	C32	C42	H421	43.0°	60.0°
H322	C32	C42	H422	66.6°	60.0°
C52	C42	H421	H422	117.8°	120.0°
C42	C52	C62	H521	125.3°	120.0°
C42	C52	C62	H522	125.3°	120.0°
C42	C52	H521	H522	117.7°	120.1°
C42	C52	C62	H621	149.4°	60.0°
C42	C52	C62	H622	101.2°	180.0°
H421	C42	C52	C62	164.9°	180.0°
H421	C42	C52	H521	39.6°	60.1°
H421	C42	C52	H522	69.8°	60.0°
H422	C42	C52	C62	85.6°	60.0°
H422	C42	C52	H521	149.1°	179.9°
H422	C42	C52	H522	39.7°	60.0°
C62	C52	H521	H522	117.6°	120.0°
C52	C62	H621	H622	117.8°	120.0°
H521	C52	C62	H621	85.3°	180.0°
H521	C52	C62	H622	24.1°	60.0°
H522	C52	C62	H621	24.1°	60.0°
H522	C52	C62	H622	133.5°	60.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1SHV