PIO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.54Å
C1	C2	sing	1.53Å	1.57Å
C1	C6	sing	1.53Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
O1	P1	sing	1.61Å	1.67Å
P1	O11	sing	1.61Å	1.53Å
O11	H11	sing	0.97Å	0.95Å
P1	O12	doub	1.48Å	1.51Å
P1	O13	sing	1.61Å	1.50Å
C2	O2	sing	1.43Å	1.42Å
C2	C3	sing	1.53Å	1.55Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	O3	sing	1.43Å	1.43Å
C3	C4	sing	1.53Å	1.58Å
C3	H3	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	O4	sing	1.43Å	1.52Å
C4	C5	sing	1.53Å	1.58Å
C4	H4	sing	1.09Å	1.10Å
O4	P4	sing	1.61Å	1.67Å
P4	O41	sing	1.61Å	1.53Å
O41	H41	sing	0.97Å	0.95Å
P4	O42	doub	1.48Å	1.51Å
P4	O43	sing	1.61Å	1.52Å
O43	H43	sing	0.97Å	0.95Å
C5	O5	sing	1.43Å	1.46Å
C5	C6	sing	1.53Å	1.55Å
C5	H5	sing	1.09Å	1.10Å
O5	P5	sing	1.61Å	1.65Å
P5	O51	sing	1.61Å	1.52Å
O51	H51	sing	0.97Å	0.95Å
P5	O52	sing	1.61Å	1.52Å
O52	H52	sing	0.97Å	0.95Å
P5	O53	doub	1.48Å	1.51Å
C6	O6	sing	1.43Å	1.44Å
C6	H6	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O13	C1C	sing	1.43Å	1.41Å
C1A	O1A	doub	1.21Å	1.21Å
C1A	C2A	sing	1.51Å	1.54Å
C1A	O2C	sing	1.34Å	1.42Å
C1B	O1B	doub	1.21Å	1.22Å
C1B	C2B	sing	1.51Å	1.55Å
C1B	O3C	sing	1.34Å	1.41Å
C1C	C2C	sing	1.53Å	1.55Å
C1C	H1C	sing	1.09Å	1.10Å
C1C	H1CA	sing	1.09Å	1.10Å
C2A	C3A	sing	1.53Å	1.54Å
C2A	H2A	sing	1.09Å	1.10Å
C2A	H2AA	sing	1.09Å	1.10Å
C2B	C3B	sing	1.53Å	1.54Å
C2B	H2B	sing	1.09Å	1.10Å
C2B	H2BA	sing	1.09Å	1.10Å
C2C	O2C	sing	1.45Å	1.42Å
C2C	C3C	sing	1.53Å	1.55Å
C2C	H2C	sing	1.09Å	1.10Å
C3A	C4A	sing	1.53Å	1.54Å
C3A	H3A	sing	1.09Å	1.10Å
C3A	H3AA	sing	1.09Å	1.10Å
C3B	C4B	sing	1.53Å	1.54Å
C3B	H3B	sing	1.09Å	1.10Å
C3B	H3BA	sing	1.09Å	1.10Å
C3C	O3C	sing	1.45Å	1.41Å
C3C	H3C	sing	1.09Å	1.10Å
C3C	H3CA	sing	1.09Å	1.10Å
C4A	C5A	sing	1.53Å	1.54Å
C4A	H4A	sing	1.09Å	1.10Å
C4A	H4AA	sing	1.09Å	1.10Å
C4B	C5B	sing	1.53Å	1.54Å
C4B	H4B	sing	1.09Å	1.10Å
C4B	H4BA	sing	1.09Å	1.10Å
C5A	C6A	sing	1.53Å	1.54Å
C5A	H5A	sing	1.09Å	1.10Å
C5A	H5AA	sing	1.09Å	1.10Å
C5B	C6B	sing	1.53Å	1.54Å
C5B	H5B	sing	1.09Å	1.10Å
C5B	H5BA	sing	1.09Å	1.10Å
C6A	C7A	sing	1.53Å	1.54Å
C6A	H6A	sing	1.09Å	1.10Å
C6A	H6AA	sing	1.09Å	1.10Å
C6B	C7B	sing	1.53Å	1.54Å
C6B	H6B	sing	1.09Å	1.10Å
C6B	H6BA	sing	1.09Å	1.10Å
C7A	C8A	sing	1.53Å	1.54Å
C7A	H7A	sing	1.09Å	1.10Å
C7A	H7AA	sing	1.09Å	1.10Å
C7B	C8B	sing	1.53Å	1.54Å
C7B	H7B	sing	1.09Å	1.10Å
C7B	H7BA	sing	1.09Å	1.10Å
C8A	H8A	sing	1.09Å	1.10Å
C8A	H8AA	sing	1.09Å	1.10Å
C8A	H8AB	sing	1.09Å	1.10Å
C8B	H8B	sing	1.09Å	1.10Å
C8B	H8BA	sing	1.09Å	1.10Å
C8B	H8BB	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	115.4°	109.5°
O1	C1	C6	106.6°	109.5°
O1	C1	H1	107.3°	109.5°
C1	O1	P1	132.4°	123.0°
C2	C1	C6	112.8°	109.5°
C2	C1	H1	107.0°	109.5°
C1	C2	O2	113.1°	109.5°
C1	C2	C3	110.5°	109.5°
C1	C2	H2	107.3°	109.4°
C6	C1	H1	107.3°	109.5°
C1	C6	C5	110.3°	109.5°
C1	C6	O6	107.1°	109.4°
C1	C6	H6	108.6°	109.4°
O1	P1	O11	103.0°	109.5°
O1	P1	O12	104.1°	109.4°
O1	P1	O13	107.1°	109.5°
P1	O11	H11	109.5°	113.9°
O11	P1	O12	117.2°	109.4°
O11	P1	O13	113.8°	109.5°
O12	P1	O13	110.4°	109.4°
P1	O13	C1C	119.0°	123.0°
O2	C2	C3	109.0°	109.5°
O2	C2	H2	109.1°	109.5°
C2	O2	HO2	109.5°	114.0°
C3	C2	H2	107.6°	109.5°
C2	C3	O3	107.8°	109.5°
C2	C3	C4	111.3°	109.5°
C2	C3	H3	108.2°	109.5°
O3	C3	C4	112.0°	109.5°
O3	C3	H3	109.7°	109.4°
C3	O3	HO3	109.5°	114.0°
C4	C3	H3	107.8°	109.5°
C3	C4	O4	109.4°	109.5°
C3	C4	C5	108.7°	109.5°
C3	C4	H4	109.0°	109.5°
O4	C4	C5	110.8°	109.5°
O4	C4	H4	109.8°	109.4°
C4	O4	P4	131.1°	123.0°
C5	C4	H4	109.0°	109.4°
C4	C5	O5	108.6°	109.5°
C4	C5	C6	112.5°	109.5°
C4	C5	H5	108.2°	109.4°
O4	P4	O41	98.7°	109.5°
O4	P4	O42	105.5°	109.5°
O4	P4	O43	109.9°	109.4°
P4	O41	H41	109.5°	114.0°
O41	P4	O42	114.6°	109.5°
O41	P4	O43	115.6°	109.5°
O42	P4	O43	111.2°	109.5°
P4	O43	H43	109.5°	114.0°
O5	C5	C6	109.1°	109.5°
O5	C5	H5	109.7°	109.5°
C5	O5	P5	133.5°	123.0°
C6	C5	H5	108.6°	109.5°
C5	C6	O6	112.3°	109.5°
C5	C6	H6	108.5°	109.5°
O5	P5	O51	100.3°	109.5°
O5	P5	O52	103.3°	109.5°
O5	P5	O53	103.2°	109.4°
P5	O51	H51	109.5°	114.0°
O51	P5	O52	117.5°	109.5°
O51	P5	O53	114.3°	109.5°
P5	O52	H52	109.5°	114.0°
O52	P5	O53	115.0°	109.5°
O6	C6	H6	110.0°	109.5°
C6	O6	HO6	109.5°	114.0°
O13	C1C	C2C	111.6°	109.5°
O13	C1C	H1C	108.9°	109.5°
O13	C1C	H1CA	109.0°	109.5°
O1A	C1A	C2A	119.8°	120.0°
O1A	C1A	O2C	120.4°	120.0°
C2A	C1A	O2C	119.7°	120.0°
C1A	C2A	C3A	110.3°	109.5°
C1A	C2A	H2A	109.3°	109.4°
C1A	C2A	H2AA	109.3°	109.5°
C1A	O2C	C2C	117.4°	117.0°
O1B	C1B	C2B	120.0°	119.9°
O1B	C1B	O3C	124.5°	120.0°
C2B	C1B	O3C	115.4°	120.0°
C1B	C2B	C3B	113.4°	109.5°
C1B	C2B	H2B	108.5°	109.5°
C1B	C2B	H2BA	108.5°	109.5°
C1B	O3C	C3C	122.0°	117.0°
C2C	C1C	H1C	109.0°	109.5°
C2C	C1C	H1CA	109.0°	109.5°
C1C	C2C	O2C	108.6°	109.5°
C1C	C2C	C3C	111.9°	109.4°
C1C	C2C	H2C	108.5°	109.5°
H1C	C1C	H1CA	109.5°	109.4°
C3A	C2A	H2A	109.3°	109.5°
C3A	C2A	H2AA	109.3°	109.5°
C2A	C3A	C4A	109.4°	109.5°
C2A	C3A	H3A	109.5°	109.5°
C2A	C3A	H3AA	109.5°	109.4°
H2A	C2A	H2AA	109.4°	109.4°
C3B	C2B	H2B	108.5°	109.5°
C3B	C2B	H2BA	108.5°	109.5°
C2B	C3B	C4B	111.2°	109.5°
C2B	C3B	H3B	109.0°	109.5°
C2B	C3B	H3BA	109.0°	109.5°
H2B	C2B	H2BA	109.5°	109.4°
O2C	C2C	C3C	109.0°	109.5°
O2C	C2C	H2C	110.3°	109.5°
C3C	C2C	H2C	108.5°	109.5°
C2C	C3C	O3C	109.3°	109.4°
C2C	C3C	H3C	109.5°	109.5°
C2C	C3C	H3CA	109.5°	109.4°
C4A	C3A	H3A	109.5°	109.5°
C4A	C3A	H3AA	109.5°	109.5°
C3A	C4A	C5A	109.6°	109.4°
C3A	C4A	H4A	109.5°	109.5°
C3A	C4A	H4AA	109.5°	109.5°
H3A	C3A	H3AA	109.5°	109.5°
C4B	C3B	H3B	109.0°	109.5°
C4B	C3B	H3BA	109.0°	109.4°
C3B	C4B	C5B	109.4°	109.5°
C3B	C4B	H4B	109.5°	109.5°
C3B	C4B	H4BA	109.5°	109.4°
H3B	C3B	H3BA	109.5°	109.5°
O3C	C3C	H3C	109.5°	109.5°
O3C	C3C	H3CA	109.5°	109.5°
H3C	C3C	H3CA	109.5°	109.5°
C5A	C4A	H4A	109.4°	109.5°
C5A	C4A	H4AA	109.4°	109.4°
C4A	C5A	C6A	109.5°	109.4°
C4A	C5A	H5A	109.5°	109.5°
C4A	C5A	H5AA	109.5°	109.5°
H4A	C4A	H4AA	109.5°	109.5°
C5B	C4B	H4B	109.5°	109.5°
C5B	C4B	H4BA	109.5°	109.5°
C4B	C5B	C6B	109.5°	109.5°
C4B	C5B	H5B	109.4°	109.5°
C4B	C5B	H5BA	109.4°	109.5°
H4B	C4B	H4BA	109.5°	109.5°
C6A	C5A	H5A	109.5°	109.5°
C6A	C5A	H5AA	109.5°	109.4°
C5A	C6A	C7A	109.5°	109.5°
C5A	C6A	H6A	109.5°	109.5°
C5A	C6A	H6AA	109.4°	109.4°
H5A	C5A	H5AA	109.4°	109.5°
C6B	C5B	H5B	109.5°	109.5°
C6B	C5B	H5BA	109.5°	109.4°
C5B	C6B	C7B	109.4°	109.5°
C5B	C6B	H6B	109.5°	109.5°
C5B	C6B	H6BA	109.5°	109.5°
H5B	C5B	H5BA	109.5°	109.5°
C7A	C6A	H6A	109.4°	109.5°
C7A	C6A	H6AA	109.5°	109.5°
C6A	C7A	C8A	109.5°	109.5°
C6A	C7A	H7A	109.5°	109.5°
C6A	C7A	H7AA	109.5°	109.5°
H6A	C6A	H6AA	109.5°	109.5°
C7B	C6B	H6B	109.5°	109.5°
C7B	C6B	H6BA	109.5°	109.4°
C6B	C7B	C8B	109.4°	109.5°
C6B	C7B	H7B	109.5°	109.5°
C6B	C7B	H7BA	109.5°	109.5°
H6B	C6B	H6BA	109.4°	109.5°
C8A	C7A	H7A	109.5°	109.5°
C8A	C7A	H7AA	109.5°	109.5°
C7A	C8A	H8A	109.5°	109.5°
C7A	C8A	H8AA	109.5°	109.5°
C7A	C8A	H8AB	109.5°	109.5°
H7A	C7A	H7AA	109.4°	109.4°
C8B	C7B	H7B	109.5°	109.5°
C8B	C7B	H7BA	109.5°	109.4°
C7B	C8B	H8B	109.5°	109.5°
C7B	C8B	H8BA	109.5°	109.5°
C7B	C8B	H8BB	109.4°	109.5°
H7B	C7B	H7BA	109.5°	109.5°
H8A	C8A	H8AA	109.5°	109.5°
H8A	C8A	H8AB	109.5°	109.4°
H8AA	C8A	H8AB	109.4°	109.4°
H8B	C8B	H8BA	109.5°	109.5°
H8B	C8B	H8BB	109.5°	109.5°
H8BA	C8B	H8BB	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C6	122.9°	120.0°
O1	C1	C2	H1	119.4°	120.0°
O1	C1	C6	H1	114.7°	120.0°
C1	O1	P1	O11	27.6°	65.0°
C1	O1	P1	O12	95.2°	55.0°
C1	O1	P1	O13	147.8°	175.0°
O1	C1	C2	O2	55.8°	60.0°
O1	C1	C2	C3	178.3°	180.0°
O1	C1	C2	H2	64.6°	60.0°
O1	C1	C6	C5	178.0°	180.0°
O1	C1	C6	O6	55.4°	60.0°
O1	C1	C6	H6	63.2°	60.0°
C2	C1	C6	H1	117.6°	120.0°
C2	C1	O1	P1	59.8°	120.0°
C1	C2	O2	C3	123.4°	120.0°
C1	C2	O2	H2	119.4°	120.0°
C1	C2	C3	H2	116.9°	120.0°
C1	C2	O2	HO2	180.0°	180.0°
C1	C2	C3	O3	179.7°	180.0°
C1	C2	C3	C4	56.6°	60.0°
C1	C2	C3	H3	61.8°	60.0°
C2	C1	C6	C5	54.4°	60.0°
C2	C1	C6	O6	176.9°	180.0°
C2	C1	C6	H6	64.4°	60.0°
C6	C1	O1	P1	174.1°	120.0°
C6	C1	C2	O2	67.0°	60.0°
C6	C1	C2	C3	55.5°	60.0°
C6	C1	C2	H2	172.6°	180.0°
C1	C6	C5	C4	55.6°	60.0°
C1	C6	C5	O5	176.2°	180.0°
C1	C6	C5	O6	119.4°	120.0°
C1	C6	C5	H6	118.8°	120.0°
C1	C6	C5	H5	64.2°	60.0°
C1	C6	O6	H6	117.8°	120.0°
C1	C6	O6	HO6	180.0°	60.0°
H1	C1	O1	P1	59.4°	0.0°
H1	C1	C2	O2	175.2°	180.0°
H1	C1	C2	C3	62.3°	60.0°
H1	C1	C2	H2	54.8°	60.0°
H1	C1	C6	C5	63.2°	59.9°
H1	C1	C6	O6	59.3°	60.0°
H1	C1	C6	H6	178.0°	180.0°
O1	P1	O11	O12	113.6°	120.0°
O1	P1	O11	O13	115.5°	120.1°
O1	P1	O11	H11	113.6°	60.0°
O1	P1	O12	O13	114.6°	120.0°
O1	P1	O13	C1C	42.7°	175.0°
O11	P1	O12	O13	132.5°	120.0°
O11	P1	O13	C1C	70.4°	64.9°
H11	O11	P1	O12	0.0°	180.0°
H11	O11	P1	O13	130.9°	60.1°
O12	P1	O13	C1C	155.4°	55.0°
P1	O13	C1C	C2C	76.6°	180.0°
P1	O13	C1C	H1C	163.1°	60.0°
P1	O13	C1C	H1CA	43.7°	60.0°
O2	C2	C3	H2	118.2°	120.0°
O2	C2	C3	O3	54.8°	60.0°
O2	C2	C3	C4	68.3°	60.0°
O2	C2	C3	H3	173.4°	180.0°
C3	C2	O2	HO2	56.6°	60.0°
C2	C3	O3	C4	122.7°	120.0°
C2	C3	O3	H3	117.6°	120.0°
C2	C3	C4	H3	118.6°	120.1°
C2	C3	O3	HO3	180.0°	60.0°
C2	C3	C4	O4	178.0°	180.0°
C2	C3	C4	C5	56.9°	60.0°
C2	C3	C4	H4	61.8°	60.0°
H2	C2	O2	HO2	60.6°	60.0°
H2	C2	C3	O3	63.4°	60.0°
H2	C2	C3	C4	173.5°	180.0°
H2	C2	C3	H3	55.2°	60.0°
O3	C3	C4	H3	120.8°	119.9°
O3	C3	C4	O4	61.3°	60.0°
O3	C3	C4	C5	177.6°	180.0°
O3	C3	C4	H4	58.8°	60.0°
C4	C3	O3	HO3	57.3°	180.0°
C3	C4	O4	C5	119.9°	120.0°
C3	C4	O4	H4	119.6°	120.0°
C3	C4	C5	H4	118.8°	120.0°
C3	C4	O4	P4	89.1°	120.0°
C3	C4	C5	O5	177.5°	180.0°
C3	C4	C5	C6	56.6°	60.0°
C3	C4	C5	H5	63.5°	60.0°
H3	C3	O3	HO3	62.4°	60.0°
H3	C3	C4	O4	59.5°	60.0°
H3	C3	C4	C5	61.7°	60.1°
H3	C3	C4	H4	179.6°	180.0°
O4	C4	C5	H4	120.9°	119.9°
C4	O4	P4	O41	163.4°	65.0°
C4	O4	P4	O42	78.0°	55.1°
C4	O4	P4	O43	42.0°	175.0°
O4	C4	C5	O5	62.2°	60.0°
O4	C4	C5	C6	176.9°	180.0°
O4	C4	C5	H5	56.8°	60.0°
C5	C4	O4	P4	151.0°	119.9°
C4	C5	O5	C6	123.0°	120.0°
C4	C5	O5	H5	118.1°	119.9°
C4	C5	C6	H5	119.8°	120.0°
C4	C5	O5	P5	126.2°	120.0°
C4	C5	C6	O6	175.0°	179.9°
C4	C5	C6	H6	63.2°	60.0°
H4	C4	O4	P4	30.6°	0.0°
H4	C4	C5	O5	58.7°	60.0°
H4	C4	C5	C6	62.2°	60.0°
H4	C4	C5	H5	177.8°	179.9°
O4	P4	O41	O42	111.6°	120.0°
O4	P4	O41	O43	117.1°	120.0°
O4	P4	O41	H41	111.6°	60.0°
O4	P4	O42	O43	119.1°	120.0°
O4	P4	O43	H43	116.5°	180.0°
O41	P4	O42	O43	133.4°	120.0°
O41	P4	O43	H43	132.9°	60.0°
H41	O41	P4	O42	0.0°	180.0°
H41	O41	P4	O43	131.3°	60.0°
O42	P4	O43	H43	0.0°	60.0°
O5	C5	C6	H5	119.6°	120.0°
C5	O5	P5	O51	113.2°	64.9°
C5	O5	P5	O52	8.5°	175.0°
C5	O5	P5	O53	128.6°	55.1°
O5	C5	C6	O6	64.4°	60.1°
O5	C5	C6	H6	57.4°	60.0°
C6	C5	O5	P5	110.8°	120.0°
C5	C6	O6	H6	120.9°	120.1°
C5	C6	O6	HO6	58.7°	180.0°
H5	C5	O5	P5	8.0°	0.1°
H5	C5	C6	O6	55.1°	60.0°
H5	C5	C6	H6	176.9°	180.0°
O5	P5	O51	O52	111.0°	120.0°
O5	P5	O51	O53	109.7°	120.0°
O5	P5	O51	H51	109.7°	60.0°
O5	P5	O52	O53	111.7°	120.0°
O5	P5	O52	H52	111.7°	180.0°
O51	P5	O52	O53	139.0°	120.0°
O51	P5	O52	H52	138.9°	60.0°
H51	O51	P5	O52	139.3°	60.0°
H51	O51	P5	O53	0.0°	180.0°
H52	O52	P5	O53	0.0°	60.0°
H6	C6	O6	HO6	62.2°	59.9°
O13	C1C	C2C	H1C	120.3°	120.0°
O13	C1C	C2C	H1CA	120.3°	120.0°
O13	C1C	H1C	H1CA	119.0°	120.0°
O13	C1C	C2C	O2C	178.4°	65.0°
O13	C1C	C2C	C3C	58.1°	175.0°
O13	C1C	C2C	H2C	61.6°	55.0°
O1A	C1A	C2A	O2C	179.3°	180.0°
O1A	C1A	C2A	C3A	40.6°	0.0°
O1A	C1A	C2A	H2A	79.6°	120.0°
O1A	C1A	C2A	H2AA	160.7°	120.1°
O1A	C1A	O2C	C2C	111.2°	0.0°
C1A	C2A	C3A	H2A	120.1°	120.0°
C1A	C2A	C3A	H2AA	120.1°	120.0°
C1A	C2A	H2A	H2AA	119.7°	119.9°
C2A	C1A	O2C	C2C	68.0°	180.0°
C1A	C2A	C3A	C4A	152.2°	180.0°
C1A	C2A	C3A	H3A	87.8°	60.0°
C1A	C2A	C3A	H3AA	32.2°	60.0°
C1A	O2C	C2C	C1C	86.2°	150.0°
O2C	C1A	C2A	C3A	140.2°	180.0°
O2C	C1A	C2A	H2A	99.7°	60.0°
O2C	C1A	C2A	H2AA	20.1°	59.9°
C1A	O2C	C2C	C3C	151.7°	90.0°
C1A	O2C	C2C	H2C	32.6°	30.0°
O1B	C1B	C2B	O3C	177.5°	180.0°
O1B	C1B	C2B	C3B	104.2°	0.0°
O1B	C1B	C2B	H2B	135.2°	120.1°
O1B	C1B	C2B	H2BA	16.4°	120.1°
O1B	C1B	O3C	C3C	108.2°	0.0°
C1B	C2B	C3B	H2B	120.6°	120.0°
C1B	C2B	C3B	H2BA	120.6°	120.0°
C1B	C2B	H2B	H2BA	118.2°	119.9°
C1B	C2B	C3B	C4B	50.4°	180.0°
C1B	C2B	C3B	H3B	69.8°	60.0°
C1B	C2B	C3B	H3BA	170.7°	60.0°
C2B	C1B	O3C	C3C	69.2°	180.0°
O3C	C1B	C2B	C3B	78.3°	180.0°
O3C	C1B	C2B	H2B	42.3°	60.0°
O3C	C1B	C2B	H2BA	161.1°	59.9°
C1B	O3C	C3C	C2C	115.3°	179.9°
C1B	O3C	C3C	H3C	124.7°	60.0°
C1B	O3C	C3C	H3CA	4.6°	60.0°
C2C	C1C	H1C	H1CA	119.1°	120.0°
C1C	C2C	O2C	C3C	122.1°	120.0°
C1C	C2C	O2C	H2C	118.8°	120.0°
C1C	C2C	C3C	H2C	119.7°	120.0°
C1C	C2C	C3C	O3C	32.0°	175.0°
C1C	C2C	C3C	H3C	151.9°	55.0°
C1C	C2C	C3C	H3CA	88.0°	65.0°
H1C	C1C	C2C	O2C	58.1°	175.0°
H1C	C1C	C2C	C3C	62.2°	55.0°
H1C	C1C	C2C	H2C	178.1°	65.0°
H1CA	C1C	C2C	O2C	61.2°	55.0°
H1CA	C1C	C2C	C3C	178.4°	65.0°
H1CA	C1C	C2C	H2C	58.7°	175.0°
C3A	C2A	H2A	H2AA	119.6°	120.0°
C2A	C3A	C4A	H3A	120.0°	120.0°
C2A	C3A	C4A	H3AA	120.0°	120.0°
C2A	C3A	H3A	H3AA	120.0°	120.0°
C2A	C3A	C4A	C5A	86.1°	180.0°
C2A	C3A	C4A	H4A	33.8°	60.0°
C2A	C3A	C4A	H4AA	153.8°	60.0°
H2A	C2A	C3A	C4A	32.1°	60.0°
H2A	C2A	C3A	H3A	152.1°	179.9°
H2A	C2A	C3A	H3AA	87.9°	60.0°
H2AA	C2A	C3A	C4A	87.6°	60.0°
H2AA	C2A	C3A	H3A	32.3°	60.1°
H2AA	C2A	C3A	H3AA	152.3°	180.0°
C3B	C2B	H2B	H2BA	118.2°	120.0°
C2B	C3B	C4B	H3B	120.2°	120.0°
C2B	C3B	C4B	H3BA	120.2°	120.0°
C2B	C3B	H3B	H3BA	119.2°	120.0°
C2B	C3B	C4B	C5B	125.9°	180.0°
C2B	C3B	C4B	H4B	114.0°	60.0°
C2B	C3B	C4B	H4BA	6.0°	60.0°
H2B	C2B	C3B	C4B	171.0°	60.0°
H2B	C2B	C3B	H3B	50.8°	180.0°
H2B	C2B	C3B	H3BA	68.7°	60.0°
H2BA	C2B	C3B	C4B	70.2°	60.0°
H2BA	C2B	C3B	H3B	169.6°	60.0°
H2BA	C2B	C3B	H3BA	50.1°	180.0°
O2C	C2C	C3C	H2C	120.2°	120.0°
O2C	C2C	C3C	O3C	88.2°	65.0°
O2C	C2C	C3C	H3C	31.8°	175.0°
O2C	C2C	C3C	H3CA	151.9°	54.9°
C2C	C3C	O3C	H3C	120.0°	120.0°
C2C	C3C	O3C	H3CA	120.0°	119.9°
C2C	C3C	H3C	H3CA	120.1°	120.0°
H2C	C2C	C3C	O3C	151.7°	55.0°
H2C	C2C	C3C	H3C	88.4°	65.0°
H2C	C2C	C3C	H3CA	31.7°	175.0°
C4A	C3A	H3A	H3AA	120.0°	120.0°
C3A	C4A	C5A	H4A	120.0°	120.0°
C3A	C4A	C5A	H4AA	120.0°	119.9°
C3A	C4A	H4A	H4AA	120.0°	120.0°
C3A	C4A	C5A	C6A	142.4°	180.0°
C3A	C4A	C5A	H5A	97.6°	60.0°
C3A	C4A	C5A	H5AA	22.4°	60.1°
H3A	C3A	C4A	C5A	153.9°	60.0°
H3A	C3A	C4A	H4A	86.1°	180.0°
H3A	C3A	C4A	H4AA	33.9°	60.0°
H3AA	C3A	C4A	C5A	33.8°	60.1°
H3AA	C3A	C4A	H4A	153.8°	59.9°
H3AA	C3A	C4A	H4AA	86.2°	180.0°
C4B	C3B	H3B	H3BA	119.2°	120.0°
C3B	C4B	C5B	H4B	120.0°	120.0°
C3B	C4B	C5B	H4BA	120.0°	120.0°
C3B	C4B	H4B	H4BA	120.1°	120.0°
C3B	C4B	C5B	C6B	83.5°	180.0°
C3B	C4B	C5B	H5B	156.5°	60.0°
C3B	C4B	C5B	H5BA	36.5°	60.0°
H3B	C3B	C4B	C5B	5.7°	60.0°
H3B	C3B	C4B	H4B	125.7°	180.0°
H3B	C3B	C4B	H4BA	114.3°	60.0°
H3BA	C3B	C4B	C5B	113.8°	60.0°
H3BA	C3B	C4B	H4B	6.2°	60.0°
H3BA	C3B	C4B	H4BA	126.2°	180.0°
O3C	C3C	H3C	H3CA	120.1°	120.0°
C5A	C4A	H4A	H4AA	119.9°	120.0°
C4A	C5A	C6A	H5A	120.0°	120.0°
C4A	C5A	C6A	H5AA	120.0°	120.0°
C4A	C5A	H5A	H5AA	120.0°	120.0°
C4A	C5A	C6A	C7A	111.4°	180.0°
C4A	C5A	C6A	H6A	128.6°	60.0°
C4A	C5A	C6A	H6AA	8.6°	60.0°
H4A	C4A	C5A	C6A	22.4°	60.0°
H4A	C4A	C5A	H5A	142.4°	180.0°
H4A	C4A	C5A	H5AA	97.7°	60.0°
H4AA	C4A	C5A	C6A	97.6°	60.0°
H4AA	C4A	C5A	H5A	22.4°	59.9°
H4AA	C4A	C5A	H5AA	142.4°	180.0°
C5B	C4B	H4B	H4BA	120.0°	120.0°
C4B	C5B	C6B	H5B	120.0°	120.1°
C4B	C5B	C6B	H5BA	120.0°	120.0°
C4B	C5B	H5B	H5BA	120.0°	120.0°
C4B	C5B	C6B	C7B	88.9°	180.0°
C4B	C5B	C6B	H6B	151.1°	59.9°
C4B	C5B	C6B	H6BA	31.1°	60.1°
H4B	C4B	C5B	C6B	36.5°	60.0°
H4B	C4B	C5B	H5B	83.5°	180.0°
H4B	C4B	C5B	H5BA	156.5°	59.9°
H4BA	C4B	C5B	C6B	156.5°	60.1°
H4BA	C4B	C5B	H5B	36.6°	60.0°
H4BA	C4B	C5B	H5BA	83.5°	180.0°
C6A	C5A	H5A	H5AA	120.0°	120.0°
C5A	C6A	C7A	H6A	120.0°	120.0°
C5A	C6A	C7A	H6AA	120.0°	119.9°
C5A	C6A	H6A	H6AA	120.0°	120.0°
C5A	C6A	C7A	C8A	107.0°	180.0°
C5A	C6A	C7A	H7A	133.0°	59.9°
C5A	C6A	C7A	H7AA	13.0°	60.0°
H5A	C5A	C6A	C7A	8.6°	60.0°
H5A	C5A	C6A	H6A	111.4°	180.0°
H5A	C5A	C6A	H6AA	128.6°	60.0°
H5AA	C5A	C6A	C7A	128.5°	60.0°
H5AA	C5A	C6A	H6A	8.5°	60.0°
H5AA	C5A	C6A	H6AA	111.4°	180.0°
C6B	C5B	H5B	H5BA	120.0°	119.9°
C5B	C6B	C7B	H6B	120.0°	120.1°
C5B	C6B	C7B	H6BA	120.0°	120.0°
C5B	C6B	H6B	H6BA	120.0°	120.0°
C5B	C6B	C7B	C8B	169.2°	180.0°
C5B	C6B	C7B	H7B	70.8°	59.9°
C5B	C6B	C7B	H7BA	49.2°	60.1°
H5B	C5B	C6B	C7B	31.1°	59.9°
H5B	C5B	C6B	H6B	88.9°	180.0°
H5B	C5B	C6B	H6BA	151.1°	60.0°
H5BA	C5B	C6B	C7B	151.1°	60.0°
H5BA	C5B	C6B	H6B	31.1°	60.0°
H5BA	C5B	C6B	H6BA	88.9°	180.0°
C7A	C6A	H6A	H6AA	120.0°	120.0°
C6A	C7A	C8A	H7A	120.0°	120.0°
C6A	C7A	C8A	H7AA	120.0°	120.0°
C6A	C7A	H7A	H7AA	120.0°	120.0°
C6A	C7A	C8A	H8A	180.0°	180.0°
C6A	C7A	C8A	H8AA	60.0°	59.9°
C6A	C7A	C8A	H8AB	60.0°	60.0°
H6A	C6A	C7A	C8A	13.0°	60.0°
H6A	C6A	C7A	H7A	107.0°	179.9°
H6A	C6A	C7A	H7AA	133.0°	60.0°
H6AA	C6A	C7A	C8A	133.0°	60.1°
H6AA	C6A	C7A	H7A	13.0°	60.0°
H6AA	C6A	C7A	H7AA	107.0°	179.9°
C7B	C6B	H6B	H6BA	120.0°	120.0°
C6B	C7B	C8B	H7B	120.0°	120.0°
C6B	C7B	C8B	H7BA	120.0°	120.0°
C6B	C7B	H7B	H7BA	120.0°	120.0°
C6B	C7B	C8B	H8B	180.0°	60.0°
C6B	C7B	C8B	H8BA	60.0°	179.9°
C6B	C7B	C8B	H8BB	60.0°	60.0°
H6B	C6B	C7B	C8B	49.2°	60.0°
H6B	C6B	C7B	H7B	169.2°	180.0°
H6B	C6B	C7B	H7BA	70.8°	60.0°
H6BA	C6B	C7B	C8B	70.8°	60.0°
H6BA	C6B	C7B	H7B	49.2°	60.0°
H6BA	C6B	C7B	H7BA	169.2°	180.0°
C8A	C7A	H7A	H7AA	120.0°	120.0°
C7A	C8A	H8A	H8AA	120.0°	120.1°
C7A	C8A	H8A	H8AB	120.0°	120.0°
C7A	C8A	H8AA	H8AB	120.0°	120.0°
H7A	C7A	C8A	H8A	60.0°	60.0°
H7A	C7A	C8A	H8AA	180.0°	180.0°
H7A	C7A	C8A	H8AB	60.0°	60.0°
H7AA	C7A	C8A	H8A	60.0°	60.0°
H7AA	C7A	C8A	H8AA	60.0°	60.1°
H7AA	C7A	C8A	H8AB	180.0°	179.9°
C8B	C7B	H7B	H7BA	120.1°	120.0°
C7B	C8B	H8B	H8BA	120.0°	120.1°
C7B	C8B	H8B	H8BB	120.0°	120.0°
C7B	C8B	H8BA	H8BB	120.0°	120.0°
H7B	C7B	C8B	H8B	60.0°	60.0°
H7B	C7B	C8B	H8BA	180.0°	60.0°
H7B	C7B	C8B	H8BB	60.0°	180.0°
H7BA	C7B	C8B	H8B	60.0°	180.0°
H7BA	C7B	C8B	H8BA	60.0°	59.9°
H7BA	C7B	C8B	H8BB	180.0°	60.0°
H8A	C8A	H8AA	H8AB	120.0°	120.0°
H8B	C8B	H8BA	H8BB	120.0°	120.0°

Definition date:	2000-12-01
Last modified:	2021-03-13
Release status:	REL
Processing site:	EBI
Derived from:	2h3v