6KW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C6	sing	1.43Å	1.42Å
O5	C1	sing	1.43Å	1.47Å
O5	C5	sing	1.43Å	1.46Å
CAP	CAQ	sing	1.53Å	1.53Å
CAP	CAO	sing	1.53Å	1.53Å
CAR	CAQ	sing	1.53Å	1.53Å
CAN	CAM	sing	1.53Å	1.53Å
CAN	CAO	sing	1.53Å	1.53Å
CAL	CAM	sing	1.53Å	1.53Å
CAL	O1	sing	1.43Å	1.44Å
C1	O1	sing	1.43Å	1.45Å
C1	C2	sing	1.53Å	1.54Å
C6	C5	sing	1.53Å	1.53Å
O2	C2	sing	1.43Å	1.43Å
C5	C4	sing	1.53Å	1.55Å
C2	C3	sing	1.53Å	1.54Å
C4	C3	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.42Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
CAR	H7	sing	1.09Å	1.10Å
CAR	H8	sing	1.09Å	1.10Å
CAR	H9	sing	1.09Å	1.10Å
CAQ	H10	sing	1.09Å	1.10Å
CAQ	H11	sing	1.09Å	1.10Å
CAP	H12	sing	1.09Å	1.10Å
CAP	H13	sing	1.09Å	1.10Å
CAO	H14	sing	1.09Å	1.10Å
CAO	H15	sing	1.09Å	1.10Å
CAN	H16	sing	1.09Å	1.10Å
CAN	H17	sing	1.09Å	1.10Å
CAM	H18	sing	1.09Å	1.10Å
CAM	H19	sing	1.09Å	1.10Å
CAL	H20	sing	1.09Å	1.10Å
CAL	H21	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C6	C5	109.6°	109.5°
O6	C6	H61	109.4°	109.5°
O6	C6	H62	109.5°	109.5°
C6	O6	HO6	109.5°	114.0°
C1	O5	C5	113.4°	114.1°
O5	C1	O1	115.5°	109.4°
O5	C1	C2	108.8°	109.4°
O5	C1	H1	107.8°	109.5°
O5	C5	C6	108.4°	109.5°
O5	C5	C4	110.4°	109.4°
O5	C5	H5	109.3°	109.4°
CAQ	CAP	CAO	109.4°	109.5°
CAP	CAQ	CAR	109.0°	109.5°
CAP	CAQ	H10	109.6°	109.5°
CAP	CAQ	H11	109.6°	109.5°
CAQ	CAP	H12	109.5°	109.5°
CAQ	CAP	H13	109.5°	109.5°
CAP	CAO	CAN	109.0°	109.5°
CAO	CAP	H12	109.5°	109.4°
CAO	CAP	H13	109.5°	109.5°
CAP	CAO	H14	109.6°	109.5°
CAP	CAO	H15	109.6°	109.5°
CAQ	CAR	H7	109.5°	109.5°
CAQ	CAR	H8	109.5°	109.4°
CAQ	CAR	H9	109.5°	109.5°
CAR	CAQ	H10	109.6°	109.5°
CAR	CAQ	H11	109.6°	109.5°
CAM	CAN	CAO	109.9°	109.4°
CAN	CAM	CAL	109.7°	109.4°
CAM	CAN	H16	109.4°	109.5°
CAM	CAN	H17	109.3°	109.5°
CAN	CAM	H18	109.4°	109.4°
CAN	CAM	H19	109.4°	109.5°
CAN	CAO	H14	109.6°	109.5°
CAN	CAO	H15	109.6°	109.5°
CAO	CAN	H16	109.3°	109.4°
CAO	CAN	H17	109.4°	109.4°
CAM	CAL	O1	109.3°	109.5°
CAL	CAM	H18	109.4°	109.5°
CAL	CAM	H19	109.4°	109.5°
CAM	CAL	H20	109.5°	109.5°
CAM	CAL	H21	109.5°	109.5°
CAL	O1	C1	113.7°	114.0°
O1	CAL	H20	109.5°	109.5°
O1	CAL	H21	109.5°	109.5°
O1	C1	C2	109.5°	109.5°
O1	C1	H1	108.0°	109.5°
C1	C2	O2	108.7°	109.5°
C1	C2	C3	110.5°	109.2°
C2	C1	H1	106.9°	109.5°
C1	C2	H2	109.0°	109.5°
C6	C5	C4	112.2°	109.5°
C6	C5	H5	108.4°	109.5°
C5	C6	H61	109.5°	109.5°
C5	C6	H62	109.4°	109.5°
O2	C2	C3	109.0°	109.5°
O2	C2	H2	110.5°	109.6°
C2	O2	HO2	109.5°	114.0°
C5	C4	C3	110.0°	109.2°
C5	C4	O4	110.7°	109.5°
C5	C4	H4	108.6°	109.6°
C4	C5	H5	108.1°	109.5°
C2	C3	C4	111.0°	109.1°
C2	C3	H3	109.1°	109.6°
C2	C3	H6	109.1°	109.6°
C3	C2	H2	109.0°	109.5°
C3	C4	O4	108.4°	109.5°
C3	C4	H4	108.8°	109.5°
C4	C3	H3	109.1°	109.5°
C4	C3	H6	109.1°	109.5°
O4	C4	H4	110.3°	109.5°
C4	O4	HO4	109.5°	114.0°
H61	C6	H62	109.5°	109.4°
H3	C3	H6	109.4°	109.5°
H7	CAR	H8	109.5°	109.5°
H7	CAR	H9	109.4°	109.5°
H8	CAR	H9	109.5°	109.5°
H10	CAQ	H11	109.5°	109.5°
H12	CAP	H13	109.5°	109.5°
H14	CAO	H15	109.5°	109.4°
H16	CAN	H17	109.5°	109.4°
H18	CAM	H19	109.5°	109.5°
H20	CAL	H21	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C6	C5	O5	56.8°	65.0°
O6	C6	C5	H61	120.0°	120.0°
O6	C6	C5	H62	120.0°	120.0°
O6	C6	C5	C4	65.4°	175.0°
O6	C6	C5	H5	175.3°	55.0°
O6	C6	H61	H62	120.0°	120.0°
O5	C1	O1	CAL	53.7°	70.1°
O5	C1	O1	C2	123.2°	119.9°
O5	C1	O1	H1	120.7°	120.1°
O5	C1	C2	H1	116.1°	120.0°
C1	O5	C5	C6	176.3°	178.8°
O5	C1	C2	O2	62.6°	62.3°
C1	O5	C5	C4	60.3°	61.1°
O5	C1	C2	C3	57.1°	57.6°
C1	O5	C5	H5	58.4°	58.9°
O5	C1	C2	H2	176.9°	177.5°
C5	O5	C1	O1	62.5°	58.9°
C5	O5	C1	C2	61.1°	61.1°
O5	C5	C6	C4	122.2°	120.0°
O5	C5	C6	H5	118.5°	120.0°
O5	C5	C4	H5	119.5°	119.9°
O5	C5	C4	C3	54.7°	57.6°
O5	C5	C4	O4	174.5°	177.5°
O5	C5	C4	H4	64.3°	62.4°
O5	C5	C6	H61	176.8°	175.0°
O5	C5	C6	H62	63.2°	55.0°
C5	O5	C1	H1	176.7°	178.9°
CAQ	CAP	CAO	H12	120.0°	120.0°
CAQ	CAP	CAO	H13	120.0°	120.0°
CAP	CAQ	CAR	H10	119.9°	120.0°
CAP	CAQ	CAR	H11	119.9°	120.0°
CAQ	CAP	CAO	CAN	173.5°	NaN°
CAP	CAQ	CAR	H7	180.0°	60.0°
CAP	CAQ	CAR	H8	60.0°	60.0°
CAP	CAQ	CAR	H9	60.0°	180.0°
CAP	CAQ	H10	H11	120.2°	120.0°
CAQ	CAP	H12	H13	120.0°	120.0°
CAQ	CAP	CAO	H14	53.6°	60.0°
CAQ	CAP	CAO	H15	66.5°	60.0°
CAO	CAP	CAQ	CAR	168.7°	NaN°
CAP	CAO	CAN	CAM	170.8°	180.0°
CAP	CAO	CAN	H14	119.9°	120.0°
CAP	CAO	CAN	H15	119.9°	120.0°
CAO	CAP	CAQ	H10	48.8°	60.0°
CAO	CAP	CAQ	H11	71.3°	60.0°
CAO	CAP	H12	H13	120.0°	120.0°
CAP	CAO	H14	H15	120.2°	120.0°
CAP	CAO	CAN	H16	69.2°	60.0°
CAP	CAO	CAN	H17	50.7°	60.0°
CAQ	CAR	H7	H8	120.0°	120.0°
CAQ	CAR	H7	H9	120.0°	120.0°
CAQ	CAR	H8	H9	120.0°	120.0°
CAR	CAQ	H10	H11	120.2°	120.0°
CAR	CAQ	CAP	H12	48.7°	60.0°
CAR	CAQ	CAP	H13	71.3°	60.0°
CAM	CAN	CAO	H16	120.1°	120.0°
CAM	CAN	CAO	H17	120.0°	120.1°
CAN	CAM	CAL	H18	120.0°	120.0°
CAN	CAM	CAL	H19	120.0°	120.0°
CAN	CAM	CAL	O1	178.4°	180.0°
CAM	CAN	CAO	H14	69.3°	60.0°
CAM	CAN	CAO	H15	50.8°	60.0°
CAM	CAN	H16	H17	119.8°	120.1°
CAN	CAM	H18	H19	119.9°	120.0°
CAN	CAM	CAL	H20	58.5°	60.0°
CAN	CAM	CAL	H21	61.6°	60.0°
CAO	CAN	CAM	CAL	159.7°	NaN°
CAN	CAO	CAP	H12	66.5°	60.0°
CAN	CAO	CAP	H13	53.6°	60.0°
CAN	CAO	H14	H15	120.2°	120.0°
CAO	CAN	H16	H17	119.8°	119.9°
CAO	CAN	CAM	H18	39.7°	60.0°
CAO	CAN	CAM	H19	80.3°	60.0°
CAM	CAL	O1	H20	120.0°	120.0°
CAM	CAL	O1	H21	120.0°	120.0°
CAM	CAL	O1	C1	176.2°	180.0°
CAL	CAM	CAN	H16	39.6°	60.0°
CAL	CAM	CAN	H17	80.3°	60.0°
CAL	CAM	H18	H19	119.9°	120.0°
CAM	CAL	H20	H21	120.1°	120.0°
CAL	O1	C1	C2	176.9°	170.0°
O1	CAL	CAM	H18	61.5°	60.0°
O1	CAL	CAM	H19	58.4°	60.0°
O1	CAL	H20	H21	120.1°	120.0°
CAL	O1	C1	H1	67.0°	50.0°
O1	C1	C2	H1	116.8°	120.0°
O1	C1	C2	O2	170.3°	177.7°
O1	C1	C2	C3	70.0°	62.4°
C1	O1	CAL	H20	63.8°	60.0°
C1	O1	CAL	H21	56.3°	60.0°
O1	C1	C2	H2	49.8°	57.5°
C1	C2	O2	C3	120.5°	119.7°
C1	C2	O2	H2	119.6°	120.1°
C1	C2	C3	H2	119.8°	119.9°
C1	C2	C3	C4	54.9°	56.9°
C1	C2	C3	H3	65.4°	176.9°
C1	C2	C3	H6	175.1°	63.0°
C1	C2	O2	HO2	180.0°	60.0°
C6	C5	C4	H5	119.5°	120.1°
C6	C5	C4	C3	175.8°	177.6°
C6	C5	C4	O4	64.4°	62.5°
C6	C5	C4	H4	56.8°	57.6°
C5	C6	H61	H62	120.0°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
O2	C2	C3	H2	120.8°	120.2°
O2	C2	C3	C4	64.6°	62.9°
O2	C2	C3	H3	175.2°	57.0°
O2	C2	C3	H6	55.7°	177.2°
O2	C2	C1	H1	53.6°	57.7°
C5	C4	C3	C2	52.9°	57.0°
C5	C4	C3	O4	121.2°	119.9°
C5	C4	C3	H4	118.8°	120.0°
C5	C4	O4	H4	120.2°	120.1°
C4	C5	C6	H61	54.6°	55.0°
C4	C5	C6	H62	174.6°	64.9°
C5	C4	C3	H3	67.3°	176.9°
C5	C4	C3	H6	173.1°	63.0°
C5	C4	O4	HO4	180.0°	179.7°
C2	C3	C4	H3	120.2°	120.0°
C2	C3	C4	H6	120.2°	120.0°
C2	C3	C4	O4	174.1°	176.9°
C2	C3	C4	H4	65.9°	63.0°
C2	C3	H3	H6	119.3°	120.3°
C3	C2	C1	H1	173.2°	177.6°
C3	C2	O2	HO2	59.5°	179.7°
C3	C4	O4	H4	119.0°	120.1°
C3	C4	C5	H5	64.8°	62.4°
C4	C3	H3	H6	119.3°	120.1°
C3	C4	O4	HO4	59.2°	60.0°
C4	C3	C2	H2	174.7°	176.9°
O4	C4	C5	H5	55.1°	57.6°
O4	C4	C3	H3	53.9°	63.2°
O4	C4	C3	H6	65.7°	56.9°
H4	C4	C5	H5	176.3°	177.6°
H4	C4	C3	H3	173.9°	56.9°
H4	C4	C3	H6	54.3°	177.0°
H4	C4	O4	HO4	59.9°	60.2°
H5	C5	C6	H61	64.7°	65.1°
H5	C5	C6	H62	55.3°	175.0°
H61	C6	O6	HO6	60.0°	60.0°
H62	C6	O6	HO6	60.0°	60.0°
H3	C3	C2	H2	54.4°	63.2°
H6	C3	C2	H2	65.1°	57.0°
H7	CAR	H8	H9	119.9°	120.1°
H7	CAR	CAQ	H10	60.1°	60.0°
H7	CAR	CAQ	H11	60.1°	180.0°
H8	CAR	CAQ	H10	179.9°	180.0°
H8	CAR	CAQ	H11	59.9°	60.0°
H9	CAR	CAQ	H10	59.9°	60.1°
H9	CAR	CAQ	H11	179.9°	59.9°
H10	CAQ	CAP	H12	71.2°	180.0°
H10	CAQ	CAP	H13	168.8°	60.0°
H11	CAQ	CAP	H12	168.7°	60.0°
H11	CAQ	CAP	H13	48.6°	180.0°
H12	CAP	CAO	H14	173.6°	180.0°
H12	CAP	CAO	H15	53.4°	60.0°
H13	CAP	CAO	H14	66.4°	60.0°
H13	CAP	CAO	H15	173.5°	180.0°
H14	CAO	CAN	H16	50.8°	180.0°
H14	CAO	CAN	H17	170.7°	60.1°
H15	CAO	CAN	H16	170.9°	60.0°
H15	CAO	CAN	H17	69.2°	180.0°
H16	CAN	CAM	H18	80.4°	180.0°
H16	CAN	CAM	H19	159.6°	60.0°
H17	CAN	CAM	H18	159.7°	60.0°
H17	CAN	CAM	H19	39.8°	180.0°
H18	CAM	CAL	H20	178.5°	180.0°
H18	CAM	CAL	H21	58.4°	60.0°
H19	CAM	CAL	H20	61.6°	60.0°
H19	CAM	CAL	H21	178.4°	180.0°
H1	C1	C2	H2	67.0°	62.5°
H2	C2	O2	HO2	60.3°	60.1°

Release date:	2017-06-21
Definition date:	2016-05-27
Last modified:	2020-07-17
Release status:	REL
Processing site:	EBI
Derived from:	5L4V