PGW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAD	C05	sing	1.53Å	1.53Å
CAD	HAD	sing	1.09Å	1.10Å
CAD	HADA	sing	1.09Å	1.10Å
OAE	CAD	sing	1.43Å	1.43Å
OAE	HOAE	sing	0.97Å	0.95Å
OAF	C05	sing	1.43Å	1.43Å
OAF	HOAF	sing	0.97Å	0.95Å
P	O13	sing	1.61Å	1.61Å
P	O11	sing	1.61Å	1.61Å
C01	O03	sing	1.45Å	1.44Å
C01	C02	sing	1.53Å	1.52Å
C01	H01	sing	1.09Å	1.10Å
C01	H01A	sing	1.09Å	1.10Å
C1	C2	sing	1.51Å	1.53Å
O01	C1	sing	1.34Å	1.36Å
C02	O01	sing	1.45Å	1.44Å
C02	H02	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O02	C1	doub	1.21Å	1.23Å
C03	C02	sing	1.53Å	1.53Å
C03	H03	sing	1.09Å	1.10Å
C03	H03A	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C04	C05	sing	1.53Å	1.53Å
C04	O12	sing	1.43Å	1.43Å
C04	H04	sing	1.09Å	1.10Å
C04	H04A	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
O04	C19	doub	1.21Å	1.23Å
C05	H05	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C06	C07	sing	1.53Å	1.54Å
C06	H06	sing	1.09Å	1.10Å
C06	H06A	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.53Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C07	H07	sing	1.09Å	1.10Å
C07	H07A	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C08	C07	sing	1.53Å	1.54Å
C08	H08	sing	1.09Å	1.10Å
C08	H08A	sing	1.09Å	1.10Å
C8	C9	sing	1.51Å	1.53Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C09	C08	sing	1.53Å	1.54Å
C09	C11	sing	1.53Å	1.54Å
C09	H09	sing	1.09Å	1.10Å
C09	H09A	sing	1.09Å	1.10Å
C9	C10	doub	1.31Å	1.40Å
C10	C06	sing	1.51Å	1.54Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
O11	C03	sing	1.43Å	1.43Å
C12	C11	sing	1.53Å	1.54Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
O12	P	sing	1.61Å	1.61Å
C13	C12	sing	1.53Å	1.54Å
C13	C14	sing	1.53Å	1.54Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
O13	HO13	sing	0.97Å	0.95Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å
O14	P	doub	1.48Å	1.48Å
C15	C16	sing	1.53Å	1.54Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C16	H16	sing	1.09Å	1.10Å
C16	H16A	sing	1.09Å	1.10Å
C17	C16	sing	1.53Å	1.54Å
C17	C18	sing	1.53Å	1.54Å
C17	H17	sing	1.09Å	1.10Å
C17	H17A	sing	1.09Å	1.10Å
C18	C28	sing	1.53Å	1.54Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C19	O03	sing	1.34Å	1.36Å
C19	C20	sing	1.51Å	1.53Å
C20	C21	sing	1.53Å	1.53Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
C21	C22	sing	1.53Å	1.53Å
C21	H21	sing	1.09Å	1.10Å
C21	H21A	sing	1.09Å	1.10Å
C22	C23	sing	1.53Å	1.53Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.53Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C24	C25	sing	1.53Å	1.53Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.53Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C26	C27	sing	1.53Å	1.53Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	C15	sing	1.53Å	1.54Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C29	H29B	sing	1.09Å	1.10Å
C30	C28	sing	1.53Å	1.54Å
C30	C29	sing	1.53Å	1.54Å
C30	H30	sing	1.09Å	1.10Å
C30	H30A	sing	1.09Å	1.10Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C05	CAD	HAD	109.3°	109.5°
C05	CAD	HADA	109.2°	109.5°
C05	CAD	OAE	110.1°	109.5°
CAD	C05	OAF	110.2°	109.5°
CAD	C05	C04	110.0°	109.5°
CAD	C05	H05	108.5°	109.5°
HAD	CAD	HADA	109.9°	109.5°
HAD	CAD	OAE	109.3°	109.5°
HADA	CAD	OAE	109.1°	109.4°
CAD	OAE	HOAE	109.5°	114.0°
C05	OAF	HOAF	109.5°	114.0°
OAF	C05	C04	109.1°	109.4°
OAF	C05	H05	109.4°	109.5°
O13	P	O11	106.4°	109.5°
O13	P	O12	107.0°	109.5°
P	O13	HO13	109.5°	114.0°
O13	P	O14	113.2°	109.5°
P	O11	C03	122.6°	123.0°
O11	P	O12	106.1°	109.5°
O11	P	O14	112.0°	109.5°
O03	C01	C02	100.5°	109.5°
O03	C01	H01	112.6°	109.5°
O03	C01	H01A	114.4°	109.5°
C01	O03	C19	113.6°	117.0°
C02	C01	H01	112.6°	109.5°
C02	C01	H01A	114.4°	109.4°
C01	C02	O01	106.3°	109.5°
C01	C02	H02	114.2°	109.5°
C01	C02	C03	110.3°	109.5°
H01	C01	H01A	102.8°	109.4°
C2	C1	O01	117.2°	120.0°
C1	C2	C3	113.6°	109.5°
C1	C2	H2	108.1°	109.4°
C1	C2	H2A	107.2°	109.5°
C2	C1	O02	122.0°	120.0°
C1	O01	C02	115.9°	117.0°
O01	C1	O02	120.8°	120.0°
O01	C02	H02	106.7°	109.4°
O01	C02	C03	117.3°	109.5°
H02	C02	C03	102.4°	109.5°
C3	C2	H2	108.1°	109.5°
C3	C2	H2A	107.2°	109.5°
C2	C3	C4	110.6°	109.5°
C2	C3	H3	109.1°	109.5°
C2	C3	H3A	108.9°	109.5°
H2	C2	H2A	112.8°	109.4°
C02	C03	H03	110.2°	109.5°
C02	C03	H03A	110.7°	109.4°
C02	C03	O11	107.3°	109.4°
H03	C03	H03A	107.8°	109.5°
H03	C03	O11	110.2°	109.5°
H03A	C03	O11	110.7°	109.5°
C4	C3	H3	109.1°	109.5°
C4	C3	H3A	108.9°	109.4°
C3	C4	C5	110.8°	109.5°
C3	C4	H4	109.0°	109.5°
C3	C4	H4A	108.7°	109.5°
H3	C3	H3A	110.3°	109.5°
C05	C04	O12	110.3°	109.5°
C05	C04	H04	109.2°	109.5°
C05	C04	H04A	109.0°	109.5°
C04	C05	H05	109.6°	109.5°
O12	C04	H04	109.2°	109.5°
O12	C04	H04A	109.0°	109.5°
C04	O12	P	119.8°	123.0°
H04	C04	H04A	110.2°	109.4°
C5	C4	H4	109.0°	109.5°
C5	C4	H4A	108.7°	109.5°
C4	C5	C6	112.7°	109.5°
C4	C5	H5	108.4°	109.5°
C4	C5	H5A	107.7°	109.5°
H4	C4	H4A	110.5°	109.5°
O04	C19	O03	121.8°	120.0°
O04	C19	C20	122.6°	120.0°
C6	C5	H5	108.4°	109.5°
C6	C5	H5A	107.7°	109.4°
C5	C6	C7	109.3°	109.5°
C5	C6	H6	109.5°	109.5°
C5	C6	H6A	109.6°	109.4°
H5	C5	H5A	112.0°	109.5°
C07	C06	H06	109.4°	109.5°
C07	C06	H06A	109.5°	109.5°
C06	C07	H07	109.5°	109.5°
C06	C07	H07A	109.5°	109.5°
C06	C07	C08	109.5°	109.5°
C07	C06	C10	109.5°	109.4°
H06	C06	H06A	109.5°	109.5°
H06	C06	C10	109.5°	109.5°
H06A	C06	C10	109.4°	109.4°
C7	C6	H6	109.5°	109.5°
C7	C6	H6A	109.6°	109.4°
C6	C7	C8	112.5°	109.5°
C6	C7	H7	108.5°	109.5°
C6	C7	H7A	107.8°	109.5°
H6	C6	H6A	109.3°	109.5°
H07	C07	H07A	109.5°	109.5°
H07	C07	C08	109.5°	109.4°
H07A	C07	C08	109.5°	109.4°
C8	C7	H7	108.5°	109.5°
C8	C7	H7A	107.8°	109.5°
C7	C8	C9	109.3°	109.5°
C7	C8	H8	109.5°	109.5°
C7	C8	H8A	109.5°	109.5°
H7	C7	H7A	111.8°	109.4°
C07	C08	H08	109.5°	109.5°
C07	C08	H08A	109.5°	109.4°
C07	C08	C09	109.5°	109.5°
H08	C08	H08A	109.4°	109.4°
H08	C08	C09	109.5°	109.5°
H08A	C08	C09	109.5°	109.5°
C9	C8	H8	109.5°	109.5°
C9	C8	H8A	109.6°	109.5°
C8	C9	C10	126.0°	120.0°
C8	C9	H9	117.0°	120.0°
H8	C8	H8A	109.3°	109.5°
C08	C09	C11	109.5°	109.5°
C08	C09	H09	109.5°	109.4°
C08	C09	H09A	109.5°	109.5°
C11	C09	H09	109.5°	109.5°
C11	C09	H09A	109.5°	109.5°
C09	C11	H11	109.5°	109.5°
C09	C11	H11A	109.5°	109.4°
C09	C11	C12	109.4°	109.5°
H09	C09	H09A	109.4°	109.5°
C9	C10	C06	109.5°	120.0°
C10	C9	H9	117.0°	120.0°
C9	C10	H10	125.2°	120.0°
C06	C10	H10	125.2°	120.0°
H11	C11	H11A	109.4°	109.5°
H11	C11	C12	109.5°	109.5°
H11A	C11	C12	109.5°	109.5°
C11	C12	H12	109.5°	109.4°
C11	C12	H12A	109.5°	109.5°
C11	C12	C13	109.5°	109.5°
H12	C12	H12A	109.4°	109.5°
H12	C12	C13	109.5°	109.5°
H12A	C12	C13	109.5°	109.5°
O12	P	O14	111.7°	109.5°
C12	C13	C14	109.5°	109.5°
C12	C13	H13	109.5°	109.5°
C12	C13	H13A	109.5°	109.5°
C14	C13	H13	109.5°	109.5°
C14	C13	H13A	109.5°	109.5°
C13	C14	H14	109.5°	109.5°
C13	C14	H14A	109.4°	109.4°
C13	C14	H14B	109.4°	109.5°
H13	C13	H13A	109.5°	109.4°
H14	C14	H14A	109.5°	109.5°
H14	C14	H14B	109.5°	109.5°
H14A	C14	H14B	109.5°	109.5°
C16	C15	H15	109.5°	109.5°
C16	C15	H15A	109.5°	109.5°
C15	C16	H16	109.5°	109.5°
C15	C16	H16A	109.5°	109.5°
C15	C16	C17	109.5°	109.5°
C16	C15	C27	109.4°	109.5°
H15	C15	H15A	109.5°	109.4°
H15	C15	C27	109.5°	109.5°
H15A	C15	C27	109.5°	109.5°
H16	C16	H16A	109.5°	109.5°
H16	C16	C17	109.5°	109.5°
H16A	C16	C17	109.5°	109.5°
C16	C17	C18	109.4°	109.5°
C16	C17	H17	109.5°	109.5°
C16	C17	H17A	109.5°	109.5°
C18	C17	H17	109.5°	109.5°
C18	C17	H17A	109.5°	109.4°
C17	C18	C28	109.4°	109.5°
C17	C18	H18	109.5°	109.5°
C17	C18	H18A	109.5°	109.4°
H17	C17	H17A	109.4°	109.5°
C28	C18	H18	109.5°	109.5°
C28	C18	H18A	109.5°	109.5°
C18	C28	H28	109.5°	109.5°
C18	C28	H28A	109.5°	109.4°
C18	C28	C30	109.4°	109.4°
H18	C18	H18A	109.4°	109.5°
O03	C19	C20	115.6°	120.0°
C19	C20	C21	106.7°	109.5°
C19	C20	H20	110.4°	109.4°
C19	C20	H20A	111.1°	109.5°
C21	C20	H20	110.4°	109.5°
C21	C20	H20A	111.0°	109.5°
C20	C21	C22	113.1°	109.5°
C20	C21	H21	108.3°	109.5°
C20	C21	H21A	107.5°	109.5°
H20	C20	H20A	107.3°	109.5°
C22	C21	H21	108.3°	109.5°
C22	C21	H21A	107.5°	109.5°
C21	C22	C23	109.0°	109.5°
C21	C22	H22	109.7°	109.5°
C21	C22	H22A	109.7°	109.5°
H21	C21	H21A	112.3°	109.4°
C23	C22	H22	109.6°	109.4°
C23	C22	H22A	109.8°	109.5°
C22	C23	C24	111.6°	109.5°
C22	C23	H23	108.8°	109.4°
C22	C23	H23A	108.3°	109.5°
H22	C22	H22A	109.1°	109.5°
C24	C23	H23	108.7°	109.5°
C24	C23	H23A	108.3°	109.5°
C23	C24	C25	111.0°	109.4°
C23	C24	H24	108.9°	109.5°
C23	C24	H24A	108.7°	109.5°
H23	C23	H23A	111.2°	109.5°
C25	C24	H24	109.0°	109.5°
C25	C24	H24A	108.6°	109.5°
C24	C25	C26	111.6°	109.4°
C24	C25	H25	108.8°	109.5°
C24	C25	H25A	108.3°	109.5°
H24	C24	H24A	110.7°	109.5°
C26	C25	H25	108.8°	109.5°
C26	C25	H25A	108.3°	109.4°
C25	C26	C27	110.7°	109.5°
C25	C26	H26	109.0°	109.5°
C25	C26	H26A	108.8°	109.5°
H25	C25	H25A	111.1°	109.5°
C27	C26	H26	109.1°	109.4°
C27	C26	H26A	108.8°	109.5°
C26	C27	C15	111.5°	109.5°
C26	C27	H27	108.8°	109.5°
C26	C27	H27A	108.3°	109.4°
H26	C26	H26A	110.5°	109.5°
C15	C27	H27	108.8°	109.5°
C15	C27	H27A	108.3°	109.5°
H27	C27	H27A	111.1°	109.5°
H28	C28	H28A	109.5°	109.5°
H28	C28	C30	109.5°	109.5°
H28A	C28	C30	109.5°	109.5°
H29	C29	H29A	109.4°	109.5°
H29	C29	H29B	109.5°	109.5°
H29	C29	C30	109.5°	109.5°
H29A	C29	H29B	109.5°	109.5°
H29A	C29	C30	109.5°	109.5°
H29B	C29	C30	109.5°	109.5°
C28	C30	C29	109.5°	109.4°
C28	C30	H30	109.5°	109.5°
C28	C30	H30A	109.5°	109.5°
C29	C30	H30	109.5°	109.5°
C29	C30	H30A	109.5°	109.4°
H30	C30	H30A	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C05	CAD	HAD	HADA	119.8°	120.1°
C05	CAD	HAD	OAE	120.5°	120.0°
C05	CAD	HADA	OAE	120.3°	120.0°
C05	CAD	OAE	HOAE	172.3°	180.0°
CAD	C05	OAF	C04	120.9°	120.0°
CAD	C05	OAF	H05	119.2°	120.0°
CAD	C05	OAF	HOAF	56.5°	59.9°
CAD	C05	C04	H05	119.2°	120.0°
CAD	C05	C04	O12	178.0°	175.0°
CAD	C05	C04	H04	58.0°	54.9°
CAD	C05	C04	H04A	62.3°	64.9°
HAD	CAD	HADA	OAE	119.8°	119.9°
HAD	CAD	OAE	HOAE	67.7°	59.9°
HAD	CAD	C05	OAF	178.8°	175.0°
HAD	CAD	C05	C04	60.8°	55.0°
HAD	CAD	C05	H05	59.0°	65.0°
HADA	CAD	OAE	HOAE	52.5°	60.0°
HADA	CAD	C05	OAF	58.6°	55.0°
HADA	CAD	C05	C04	178.9°	65.0°
HADA	CAD	C05	H05	61.2°	175.0°
OAE	CAD	C05	OAF	61.2°	65.0°
OAE	CAD	C05	C04	59.2°	175.0°
OAE	CAD	C05	H05	179.0°	55.0°
OAF	C05	C04	H05	119.8°	120.0°
OAF	C05	C04	O12	60.9°	65.0°
OAF	C05	C04	H04	179.1°	175.0°
OAF	C05	C04	H04A	58.7°	55.1°
HOAF	OAF	C05	C04	64.4°	60.1°
HOAF	OAF	C05	H05	175.8°	180.0°
O13	P	O11	O12	113.7°	120.0°
O13	P	O11	O14	124.2°	120.0°
O13	P	O12	C04	59.7°	65.0°
O13	P	O11	C03	51.8°	65.0°
O13	P	O12	O14	124.4°	120.0°
P	O11	C03	C02	174.4°	180.0°
P	O11	C03	H03	54.4°	60.0°
P	O11	C03	H03A	64.7°	60.0°
O11	P	O12	C04	173.0°	175.0°
O11	P	O12	O14	122.3°	120.0°
O11	P	O13	HO13	40.8°	60.1°
O03	C01	C02	H01	120.0°	120.0°
O03	C01	C02	H01A	123.1°	120.0°
O03	C01	H01	H01A	123.6°	120.0°
O03	C01	C02	O01	59.4°	65.0°
O03	C01	C02	H02	57.9°	175.0°
O03	C01	C02	C03	172.5°	55.0°
C01	O03	C19	O04	30.5°	0.0°
C01	O03	C19	C20	151.7°	180.0°
C02	C01	H01	H01A	123.6°	119.9°
C01	C02	O01	C1	169.0°	150.0°
C01	C02	O01	H02	122.2°	120.0°
C01	C02	O01	C03	123.8°	120.0°
C01	C02	H02	C03	119.2°	120.1°
C01	C02	C03	H03	165.8°	65.1°
C01	C02	C03	H03A	75.0°	174.9°
C01	C02	C03	O11	45.8°	55.0°
C02	C01	O03	C19	166.5°	180.0°
H01	C01	C02	O01	60.6°	55.0°
H01	C01	C02	H02	177.9°	64.9°
H01	C01	C02	C03	67.5°	175.0°
H01	C01	O03	C19	46.4°	60.0°
H01A	C01	C02	O01	177.5°	175.0°
H01A	C01	C02	H02	65.2°	55.0°
H01A	C01	C02	C03	49.4°	65.0°
H01A	C01	O03	C19	70.4°	60.0°
C2	C1	O01	O02	179.2°	179.9°
C2	C1	O01	C02	155.1°	180.0°
C1	C2	C3	H2	120.0°	120.0°
C1	C2	C3	H2A	118.2°	120.0°
C1	C2	H2	H2A	118.3°	120.0°
C1	C2	C3	C4	173.5°	180.0°
C1	C2	C3	H3	53.5°	60.0°
C1	C2	C3	H3A	66.9°	60.0°
C1	O01	C02	H02	46.8°	30.0°
O01	C1	C2	C3	89.9°	180.0°
O01	C1	C2	H2	150.1°	60.0°
O01	C1	C2	H2A	28.3°	59.9°
C1	O01	C02	C03	67.2°	90.0°
O01	C02	H02	C03	123.7°	120.0°
C02	O01	C1	O02	24.1°	0.0°
O01	C02	C03	H03	72.4°	175.0°
O01	C02	C03	H03A	46.7°	54.9°
O01	C02	C03	O11	167.6°	65.0°
H02	C02	C03	H03	44.0°	55.0°
H02	C02	C03	H03A	163.1°	65.0°
H02	C02	C03	O11	76.1°	175.1°
C3	C2	H2	H2A	118.3°	120.0°
C3	C2	C1	O02	91.0°	0.0°
C2	C3	C4	H3	120.0°	120.0°
C2	C3	C4	H3A	119.6°	120.0°
C2	C3	H3	H3A	119.5°	120.0°
C2	C3	C4	C5	176.9°	180.0°
C2	C3	C4	H4	57.0°	60.0°
C2	C3	C4	H4A	63.6°	60.0°
H2	C2	C1	O02	29.0°	120.0°
H2	C2	C3	C4	66.5°	60.0°
H2	C2	C3	H3	173.5°	180.0°
H2	C2	C3	H3A	53.1°	59.9°
H2A	C2	C1	O02	150.8°	120.0°
H2A	C2	C3	C4	55.3°	60.0°
H2A	C2	C3	H3	64.7°	60.0°
H2A	C2	C3	H3A	174.9°	179.9°
C02	C03	H03	H03A	120.9°	120.0°
C02	C03	H03	O11	118.2°	120.0°
C02	C03	H03A	O11	118.8°	120.0°
H03	C03	H03A	O11	120.6°	120.1°
C4	C3	H3	H3A	119.6°	119.9°
C3	C4	C5	H4	120.0°	120.0°
C3	C4	C5	H4A	119.5°	120.0°
C3	C4	H4	H4A	119.5°	120.0°
C3	C4	C5	C6	173.3°	180.0°
C3	C4	C5	H5	53.3°	60.0°
C3	C4	C5	H5A	68.1°	60.1°
H3	C3	C4	C5	63.1°	60.0°
H3	C3	C4	H4	176.9°	180.0°
H3	C3	C4	H4A	56.3°	60.0°
H3A	C3	C4	C5	57.4°	60.0°
H3A	C3	C4	H4	62.6°	60.0°
H3A	C3	C4	H4A	176.8°	180.0°
C05	C04	O12	H04	120.0°	120.0°
C05	C04	O12	H04A	119.6°	120.1°
C05	C04	H04	H04A	119.6°	120.0°
C05	C04	O12	P	177.0°	180.0°
O12	C04	H04	H04A	119.7°	120.0°
O12	C04	C05	H05	58.8°	55.0°
C04	O12	P	O14	64.7°	55.0°
H04	C04	C05	H05	61.2°	65.1°
H04	C04	O12	P	57.0°	60.0°
H04A	C04	C05	H05	178.5°	175.0°
H04A	C04	O12	P	63.3°	59.9°
C5	C4	H4	H4A	119.4°	120.0°
C4	C5	C6	H5	120.0°	120.0°
C4	C5	C6	H5A	118.6°	120.0°
C4	C5	H5	H5A	118.7°	120.0°
C4	C5	C6	C7	177.5°	NaN°
C4	C5	C6	H6	62.5°	60.0°
C4	C5	C6	H6A	57.4°	60.1°
H4	C4	C5	C6	66.8°	60.0°
H4	C4	C5	H5	173.3°	180.0°
H4	C4	C5	H5A	51.9°	59.9°
H4A	C4	C5	C6	53.8°	60.0°
H4A	C4	C5	H5	66.2°	60.0°
H4A	C4	C5	H5A	172.4°	179.9°
O04	C19	O03	C20	177.7°	180.0°
O04	C19	C20	C21	95.5°	0.0°
O04	C19	C20	H20	144.5°	120.0°
O04	C19	C20	H20A	25.6°	120.0°
C6	C5	H5	H5A	118.7°	119.9°
C5	C6	C7	H6	120.0°	120.0°
C5	C6	C7	H6A	120.1°	119.9°
C5	C6	H6	H6A	120.1°	120.0°
C5	C6	C7	C8	170.6°	180.0°
C5	C6	C7	H7	50.5°	59.9°
C5	C6	C7	H7A	70.8°	60.0°
H5	C5	C6	C7	57.5°	60.0°
H5	C5	C6	H6	177.5°	180.0°
H5	C5	C6	H6A	62.6°	60.0°
H5A	C5	C6	C7	63.8°	60.0°
H5A	C5	C6	H6	56.1°	60.0°
H5A	C5	C6	H6A	176.1°	180.0°
C07	C06	H06	H06A	120.0°	120.0°
C07	C06	H06	C10	120.0°	120.0°
C07	C06	H06A	C10	120.0°	119.9°
C06	C07	H07	H07A	120.0°	120.1°
C06	C07	H07	C08	120.0°	120.0°
C06	C07	H07A	C08	120.0°	120.0°
C06	C07	C08	H08	15.0°	60.0°
C06	C07	C08	H08A	135.0°	59.9°
C06	C07	C08	C09	105.0°	180.0°
C07	C06	C10	C9	167.3°	127.7°
C07	C06	C10	H10	12.7°	52.4°
H06	C06	H06A	C10	120.0°	120.0°
H06	C06	C07	H07	177.2°	60.0°
H06	C06	C07	H07A	57.3°	180.0°
H06	C06	C07	C08	62.7°	60.0°
H06	C06	C10	C9	47.3°	7.6°
H06	C06	C10	H10	132.7°	172.4°
H06A	C06	C07	H07	57.2°	180.0°
H06A	C06	C07	H07A	62.8°	59.9°
H06A	C06	C07	C08	177.2°	60.0°
H06A	C06	C10	C9	72.7°	112.4°
H06A	C06	C10	H10	107.2°	67.6°
C7	C6	H6	H6A	120.1°	120.0°
C6	C7	C8	H7	120.0°	120.1°
C6	C7	C8	H7A	118.7°	120.0°
C6	C7	H7	H7A	118.8°	120.0°
C6	C7	C8	C9	175.5°	180.0°
C6	C7	C8	H8	64.4°	60.0°
C6	C7	C8	H8A	55.5°	60.0°
H6	C6	C7	C8	69.5°	60.0°
H6	C6	C7	H7	170.5°	179.9°
H6	C6	C7	H7A	49.2°	60.0°
H6A	C6	C7	C8	50.5°	60.0°
H6A	C6	C7	H7	69.6°	60.0°
H6A	C6	C7	H7A	169.2°	179.9°
H07	C07	H07A	C08	120.0°	120.0°
H07	C07	C08	H08	105.0°	179.9°
H07	C07	C08	H08A	15.0°	60.0°
H07	C07	C08	C09	135.0°	60.0°
H07	C07	C06	C10	62.7°	60.1°
H07A	C07	C08	H08	135.0°	60.1°
H07A	C07	C08	H08A	105.0°	180.0°
H07A	C07	C08	C09	15.0°	60.0°
H07A	C07	C06	C10	177.3°	60.0°
C8	C7	H7	H7A	118.7°	120.0°
C7	C8	C9	H8	120.0°	120.0°
C7	C8	C9	H8A	120.1°	120.0°
C7	C8	H8	H8A	120.0°	120.0°
C7	C8	C9	C10	175.9°	126.3°
C7	C8	C9	H9	4.1°	53.7°
H7	C7	C8	C9	55.5°	60.0°
H7	C7	C8	H8	175.5°	180.0°
H7	C7	C8	H8A	64.6°	60.1°
H7A	C7	C8	C9	65.7°	60.0°
H7A	C7	C8	H8	54.3°	60.0°
H7A	C7	C8	H8A	174.2°	NaN°
C07	C08	H08	H08A	120.0°	119.9°
C07	C08	H08	C09	120.0°	120.0°
C07	C08	H08A	C09	120.0°	120.0°
C07	C08	C09	C11	95.6°	180.0°
C07	C08	C09	H09	24.4°	60.0°
C07	C08	C09	H09A	144.4°	60.0°
C08	C07	C06	C10	57.3°	180.0°
H08	C08	H08A	C09	120.0°	120.1°
H08	C08	C09	C11	144.4°	60.0°
H08	C08	C09	H09	95.6°	180.0°
H08	C08	C09	H09A	24.4°	60.0°
H08A	C08	C09	C11	24.4°	60.0°
H08A	C08	C09	H09	144.4°	60.0°
H08A	C08	C09	H09A	95.6°	180.0°
C9	C8	H8	H8A	120.1°	120.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	C06	28.8°	7.5°
C8	C9	C10	H10	151.2°	172.4°
H8	C8	C9	C10	64.1°	6.3°
H8	C8	C9	H9	115.9°	173.7°
H8A	C8	C9	C10	55.8°	113.6°
H8A	C8	C9	H9	124.2°	66.4°
C08	C09	C11	H09	120.0°	120.0°
C08	C09	C11	H09A	120.0°	120.0°
C08	C09	H09	H09A	120.0°	120.0°
C08	C09	C11	H11	19.6°	59.9°
C08	C09	C11	H11A	139.5°	60.0°
C08	C09	C11	C12	100.4°	180.0°
C11	C09	H09	H09A	120.0°	120.0°
C09	C11	H11	H11A	120.0°	119.9°
C09	C11	H11	C12	120.0°	120.0°
C09	C11	H11A	C12	120.0°	120.0°
C09	C11	C12	H12	8.6°	60.0°
C09	C11	C12	H12A	128.6°	60.0°
C09	C11	C12	C13	111.3°	180.0°
H09	C09	C11	H11	100.4°	179.9°
H09	C09	C11	H11A	19.5°	60.0°
H09	C09	C11	C12	139.6°	60.0°
H09A	C09	C11	H11	139.6°	60.0°
H09A	C09	C11	H11A	100.5°	180.0°
H09A	C09	C11	C12	19.6°	60.0°
C9	C10	C06	H10	180.0°	179.9°
C06	C10	C9	H9	151.2°	172.5°
H11	C11	H11A	C12	120.0°	120.1°
H11	C11	C12	H12	111.4°	180.0°
H11	C11	C12	H12A	8.6°	60.0°
H11	C11	C12	C13	128.7°	60.0°
H11A	C11	C12	H12	128.7°	59.9°
H11A	C11	C12	H12A	111.3°	179.9°
H11A	C11	C12	C13	8.7°	60.0°
C03	O11	P	O12	61.9°	175.0°
C03	O11	P	O14	176.0°	55.0°
C11	C12	H12	H12A	120.0°	120.0°
C11	C12	H12	C13	120.0°	120.0°
C11	C12	H12A	C13	120.0°	120.0°
C11	C12	C13	C14	124.3°	180.0°
C11	C12	C13	H13	4.4°	60.0°
C11	C12	C13	H13A	115.7°	60.0°
H12	C12	H12A	C13	120.0°	120.0°
H12	C12	C13	C14	115.6°	60.0°
H12	C12	C13	H13	124.4°	179.9°
H12	C12	C13	H13A	4.4°	60.0°
H12A	C12	C13	C14	4.3°	60.0°
H12A	C12	C13	H13	115.7°	60.0°
H12A	C12	C13	H13A	124.3°	180.0°
O12	P	O13	HO13	72.2°	59.9°
C12	C13	C14	H13	120.0°	120.0°
C12	C13	C14	H13A	120.0°	120.0°
C12	C13	H13	H13A	120.0°	120.0°
C12	C13	C14	H14	143.1°	60.0°
C12	C13	C14	H14A	23.1°	60.0°
C12	C13	C14	H14B	96.9°	180.0°
C14	C13	H13	H13A	120.0°	120.0°
C13	C14	H14	H14A	120.0°	119.9°
C13	C14	H14	H14B	120.0°	120.1°
C13	C14	H14A	H14B	120.0°	120.0°
H13	C13	C14	H14	96.9°	180.0°
H13	C13	C14	H14A	143.1°	60.0°
H13	C13	C14	H14B	23.1°	59.9°
H13A	C13	C14	H14	23.1°	60.1°
H13A	C13	C14	H14A	96.9°	180.0°
H13A	C13	C14	H14B	143.1°	60.0°
HO13	O13	P	O14	164.3°	180.0°
H14	C14	H14A	H14B	120.0°	120.0°
C16	C15	H15	H15A	120.0°	120.0°
C16	C15	H15	C27	120.0°	120.0°
C16	C15	H15A	C27	120.0°	120.0°
C15	C16	H16	H16A	120.0°	120.0°
C15	C16	H16	C17	120.0°	120.0°
C15	C16	H16A	C17	120.0°	120.0°
C15	C16	C17	C18	122.9°	180.0°
C15	C16	C17	H17	2.9°	60.0°
C15	C16	C17	H17A	117.1°	60.0°
C16	C15	C27	C26	162.1°	180.0°
C16	C15	C27	H27	42.2°	60.0°
C16	C15	C27	H27A	78.7°	60.0°
H15	C15	H15A	C27	120.0°	120.0°
H15	C15	C16	H16	174.4°	60.0°
H15	C15	C16	H16A	54.4°	180.0°
H15	C15	C16	C17	65.6°	60.0°
H15	C15	C27	C26	42.1°	60.0°
H15	C15	C27	H27	77.8°	180.0°
H15	C15	C27	H27A	161.3°	60.0°
H15A	C15	C16	H16	54.4°	180.0°
H15A	C15	C16	H16A	65.7°	60.0°
H15A	C15	C16	C17	174.3°	60.0°
H15A	C15	C27	C26	77.9°	60.0°
H15A	C15	C27	H27	162.2°	60.0°
H15A	C15	C27	H27A	41.3°	180.0°
H16	C16	H16A	C17	120.0°	120.0°
H16	C16	C17	C18	117.1°	60.0°
H16	C16	C17	H17	122.9°	180.0°
H16	C16	C17	H17A	2.9°	60.0°
H16	C16	C15	C27	65.6°	60.0°
H16A	C16	C17	C18	2.9°	60.0°
H16A	C16	C17	H17	117.1°	60.0°
H16A	C16	C17	H17A	122.9°	180.0°
H16A	C16	C15	C27	174.3°	60.0°
C16	C17	C18	H17	120.0°	120.0°
C16	C17	C18	H17A	120.0°	120.0°
C16	C17	H17	H17A	120.0°	120.0°
C16	C17	C18	C28	118.4°	180.0°
C16	C17	C18	H18	1.6°	60.0°
C16	C17	C18	H18A	121.6°	60.0°
C17	C16	C15	C27	54.3°	NaN°
C18	C17	H17	H17A	120.0°	120.0°
C17	C18	C28	H18	120.0°	120.0°
C17	C18	C28	H18A	120.0°	120.0°
C17	C18	H18	H18A	120.0°	119.9°
C17	C18	C28	H28	1.6°	59.9°
C17	C18	C28	H28A	118.4°	60.0°
C17	C18	C28	C30	121.6°	180.0°
H17	C17	C18	C28	121.6°	60.0°
H17	C17	C18	H18	118.4°	180.0°
H17	C17	C18	H18A	1.6°	60.1°
H17A	C17	C18	C28	1.6°	60.0°
H17A	C17	C18	H18	121.6°	60.0°
H17A	C17	C18	H18A	118.4°	180.0°
C28	C18	H18	H18A	120.1°	120.1°
C18	C28	H28	H28A	120.0°	120.0°
C18	C28	H28	C30	120.0°	120.0°
C18	C28	H28A	C30	120.0°	119.9°
C18	C28	C30	C29	119.1°	180.0°
C18	C28	C30	H30	0.9°	60.0°
C18	C28	C30	H30A	120.9°	60.1°
H18	C18	C28	H28	121.6°	180.0°
H18	C18	C28	H28A	1.6°	60.0°
H18	C18	C28	C30	118.4°	60.0°
H18A	C18	C28	H28	118.4°	60.0°
H18A	C18	C28	H28A	121.6°	180.0°
H18A	C18	C28	C30	1.6°	60.0°
O03	C19	C20	C21	86.8°	180.0°
O03	C19	C20	H20	33.2°	60.0°
O03	C19	C20	H20A	152.1°	59.9°
C19	C20	C21	H20	120.0°	120.0°
C19	C20	C21	H20A	121.1°	120.0°
C19	C20	H20	H20A	121.2°	120.0°
C19	C20	C21	C22	168.4°	180.0°
C19	C20	C21	H21	71.6°	60.0°
C19	C20	C21	H21A	49.9°	60.0°
C21	C20	H20	H20A	121.1°	120.0°
C20	C21	C22	H21	120.0°	120.0°
C20	C21	C22	H21A	118.4°	120.0°
C20	C21	H21	H21A	118.5°	120.0°
C20	C21	C22	C23	172.9°	180.0°
C20	C21	C22	H22	52.9°	60.0°
C20	C21	C22	H22A	66.9°	60.0°
H20	C20	C21	C22	48.4°	60.0°
H20	C20	C21	H21	168.4°	180.0°
H20	C20	C21	H21A	70.1°	60.0°
H20A	C20	C21	C22	70.5°	60.0°
H20A	C20	C21	H21	49.5°	60.0°
H20A	C20	C21	H21A	171.0°	180.0°
C22	C21	H21	H21A	118.5°	120.0°
C21	C22	C23	H22	120.0°	120.0°
C21	C22	C23	H22A	120.2°	120.0°
C21	C22	H22	H22A	120.2°	120.0°
C21	C22	C23	C24	175.9°	180.0°
C21	C22	C23	H23	64.1°	60.0°
C21	C22	C23	H23A	56.9°	60.0°
H21	C21	C22	C23	67.1°	60.0°
H21	C21	C22	H22	172.9°	180.0°
H21	C21	C22	H22A	53.1°	60.0°
H21A	C21	C22	C23	54.4°	60.0°
H21A	C21	C22	H22	65.6°	60.0°
H21A	C21	C22	H22A	174.6°	180.0°
C23	C22	H22	H22A	120.2°	120.0°
C22	C23	C24	H23	120.0°	120.0°
C22	C23	C24	H23A	119.1°	120.0°
C22	C23	H23	H23A	119.1°	120.0°
C22	C23	C24	C25	178.0°	180.0°
C22	C23	C24	H24	58.0°	60.0°
C22	C23	C24	H24A	62.6°	60.0°
H22	C22	C23	C24	55.9°	60.0°
H22	C22	C23	H23	175.9°	180.0°
H22	C22	C23	H23A	63.2°	60.0°
H22A	C22	C23	C24	63.9°	60.0°
H22A	C22	C23	H23	56.1°	60.0°
H22A	C22	C23	H23A	177.0°	NaN°
C24	C23	H23	H23A	119.1°	120.0°
C23	C24	C25	H24	120.0°	120.0°
C23	C24	C25	H24A	119.4°	120.0°
C23	C24	H24	H24A	119.4°	120.0°
C23	C24	C25	C26	179.9°	NaN°
C23	C24	C25	H25	59.9°	60.0°
C23	C24	C25	H25A	61.0°	60.1°
H23	C23	C24	C25	62.0°	60.0°
H23	C23	C24	H24	178.0°	180.0°
H23	C23	C24	H24A	57.4°	60.0°
H23A	C23	C24	C25	58.9°	60.0°
H23A	C23	C24	H24	61.0°	60.0°
H23A	C23	C24	H24A	178.3°	180.0°
C25	C24	H24	H24A	119.4°	120.0°
C24	C25	C26	H25	120.0°	120.0°
C24	C25	C26	H25A	119.1°	120.0°
C24	C25	H25	H25A	119.1°	120.0°
C24	C25	C26	C27	179.2°	180.0°
C24	C25	C26	H26	60.8°	60.0°
C24	C25	C26	H26A	59.7°	60.0°
H24	C24	C25	C26	60.1°	60.0°
H24	C24	C25	H25	179.9°	180.0°
H24	C24	C25	H25A	59.0°	60.0°
H24A	C24	C25	C26	60.5°	60.0°
H24A	C24	C25	H25	59.5°	60.0°
H24A	C24	C25	H25A	179.6°	180.0°
C26	C25	H25	H25A	119.1°	120.0°
C25	C26	C27	H26	120.0°	120.0°
C25	C26	C27	H26A	119.5°	120.0°
C25	C26	H26	H26A	119.5°	120.0°
C25	C26	C27	C15	178.6°	180.0°
C25	C26	C27	H27	58.6°	60.0°
C25	C26	C27	H27A	62.2°	60.0°
H25	C25	C26	C27	59.2°	60.1°
H25	C25	C26	H26	179.2°	180.0°
H25	C25	C26	H26A	60.3°	60.0°
H25A	C25	C26	C27	61.7°	60.0°
H25A	C25	C26	H26	58.3°	60.0°
H25A	C25	C26	H26A	178.8°	180.0°
C27	C26	H26	H26A	119.5°	120.0°
C26	C27	C15	H27	120.0°	120.0°
C26	C27	C15	H27A	119.1°	120.0°
C26	C27	H27	H27A	119.1°	120.0°
H26	C26	C27	C15	61.4°	60.0°
H26	C26	C27	H27	178.6°	60.0°
H26	C26	C27	H27A	57.7°	180.0°
H26A	C26	C27	C15	59.1°	60.0°
H26A	C26	C27	H27	60.9°	NaN°
H26A	C26	C27	H27A	178.3°	60.0°
C15	C27	H27	H27A	119.2°	120.0°
H28	C28	H28A	C30	120.0°	120.1°
H28	C28	C30	C29	120.9°	60.0°
H28	C28	C30	H30	119.1°	180.0°
H28	C28	C30	H30A	0.9°	60.0°
H28A	C28	C30	C29	0.9°	60.1°
H28A	C28	C30	H30	120.9°	59.9°
H28A	C28	C30	H30A	119.1°	180.0°
H29	C29	H29A	H29B	120.0°	120.0°
H29	C29	H29A	C30	120.0°	120.0°
H29	C29	H29B	C30	120.0°	120.0°
H29	C29	C30	C28	159.9°	60.0°
H29	C29	C30	H30	80.1°	60.0°
H29	C29	C30	H30A	39.9°	180.0°
H29A	C29	H29B	C30	120.0°	120.0°
H29A	C29	C30	C28	40.0°	180.0°
H29A	C29	C30	H30	160.0°	60.0°
H29A	C29	C30	H30A	80.1°	60.0°
H29B	C29	C30	C28	80.1°	60.0°
H29B	C29	C30	H30	39.9°	180.0°
H29B	C29	C30	H30A	159.9°	60.0°
C28	C30	C29	H30	120.0°	120.0°
C28	C30	C29	H30A	120.0°	120.0°
C28	C30	H30	H30A	120.0°	120.0°
C29	C30	H30	H30A	120.0°	120.0°
H9	C9	C10	H10	28.8°	7.6°

Definition date:	2007-11-02
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	2RL5