RU0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O11	doub	0.00Å	1.24Å
C1	C6	sing	0.00Å	1.54Å
O1	C1	sing	0.00Å	1.27Å
RU1	O1	sing	0.00Å	2.03Å
RU1	O33	sing	0.00Å	2.01Å
RU1	O22	sing	0.00Å	1.99Å
RU1	RU2	doub	0.00Å	2.31Å
RU1	O7	sing	0.00Å	1.83Å
RU1	CL2	sing	0.00Å	2.70Å
C2	O2	sing	0.00Å	1.24Å
O2	RU2	sing	0.00Å	2.01Å
RU2	O3	sing	0.00Å	2.03Å
RU2	O11	sing	0.00Å	2.01Å
RU2	O8	sing	0.00Å	1.75Å
RU2	CL1	sing	0.00Å	2.77Å
C3	O3	doub	0.00Å	1.27Å
C20	C2	sing	0.00Å	1.50Å
C20	H20	sing	0.00Å	1.10Å
C20	H20A	sing	0.00Å	1.10Å
C20	H9	sing	0.00Å	1.10Å
O22	C2	doub	0.00Å	1.23Å
C30	C3	sing	0.00Å	1.51Å
C30	H30	sing	0.00Å	1.10Å
C30	H30A	sing	0.00Å	1.10Å
C30	H12	sing	0.00Å	1.10Å
O33	C3	sing	0.00Å	1.24Å
C6	H1	sing	0.00Å	1.10Å
C6	H2	sing	0.00Å	1.10Å
C6	H3	sing	0.00Å	1.10Å
O7	C7	doub	0.00Å	1.55Å
O8	C7	sing	0.00Å	1.64Å
C7	C8	sing	0.00Å	1.84Å
C8	H4	sing	0.00Å	1.10Å
C8	H5	sing	0.00Å	1.10Å
C8	H6	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C1	C6	113.4°	90.0°
O11	C1	O1	121.1°	90.0°
C1	O11	RU2	119.6°	90.0°
C6	C1	O1	125.5°	90.0°
C1	C6	H1	109.5°	90.0°
C1	C6	H2	109.5°	90.0°
C1	C6	H3	109.4°	90.0°
C1	O1	RU1	122.4°	90.0°
O1	RU1	O33	93.0°	90.0°
O1	RU1	O22	105.0°	90.0°
O1	RU1	RU2	86.2°	90.0°
O1	RU1	O7	174.4°	90.0°
O1	RU1	CL2	91.4°	90.0°
O33	RU1	O22	155.1°	90.0°
O33	RU1	RU2	71.5°	90.0°
O33	RU1	O7	81.5°	90.0°
O33	RU1	CL2	108.4°	90.0°
RU1	O33	C3	135.1°	90.0°
O22	RU1	RU2	92.3°	90.0°
O22	RU1	O7	80.5°	90.0°
O22	RU1	CL2	88.5°	90.0°
RU1	O22	C2	119.9°	90.0°
RU2	RU1	O7	92.4°	90.0°
RU2	RU1	CL2	177.6°	90.0°
RU1	RU2	O2	80.2°	90.0°
RU1	RU2	O3	101.0°	90.0°
RU1	RU2	O11	90.1°	90.0°
RU1	RU2	O8	94.4°	90.0°
RU1	RU2	CL1	172.8°	90.0°
O7	RU1	CL2	89.9°	90.0°
RU1	O7	C7	124.5°	90.0°
C2	O2	RU2	130.7°	90.0°
O2	C2	C20	125.8°	90.0°
O2	C2	O22	113.0°	90.0°
O2	RU2	O3	178.7°	90.0°
O2	RU2	O11	94.4°	90.0°
O2	RU2	O8	85.0°	90.0°
O2	RU2	CL1	105.0°	90.0°
O3	RU2	O11	85.1°	90.0°
O3	RU2	O8	95.4°	90.0°
O3	RU2	CL1	73.9°	90.0°
RU2	O3	C3	106.3°	90.0°
O11	RU2	O8	175.2°	90.0°
O11	RU2	CL1	94.4°	90.0°
O8	RU2	CL1	81.2°	90.0°
RU2	O8	C7	123.8°	90.0°
O3	C3	C30	124.9°	90.0°
O3	C3	O33	115.0°	90.0°
C2	C20	H20	109.5°	90.0°
C2	C20	H20A	109.5°	90.0°
C2	C20	H9	109.4°	90.0°
C20	C2	O22	121.2°	90.0°
H20	C20	H20A	109.4°	90.0°
H20	C20	H9	109.5°	90.0°
H20A	C20	H9	109.5°	90.0°
C3	C30	H30	109.5°	90.0°
C3	C30	H30A	109.4°	90.0°
C3	C30	H12	109.4°	90.0°
C30	C3	O33	120.1°	90.0°
H30	C30	H30A	109.5°	90.0°
H30	C30	H12	109.5°	90.0°
H30A	C30	H12	109.5°	90.0°
H1	C6	H2	109.4°	90.0°
H1	C6	H3	109.5°	90.0°
H2	C6	H3	109.5°	90.0°
O7	C7	O8	104.7°	90.0°
O7	C7	C8	123.8°	90.0°
O8	C7	C8	131.4°	90.0°
C7	C8	H4	109.5°	90.0°
C7	C8	H5	109.5°	90.0°
C7	C8	H6	109.4°	90.0°
H4	C8	H5	109.5°	90.0°
H4	C8	H6	109.5°	90.0°
H5	C8	H6	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C1	C6	O1	176.9°	90.0°
O11	C1	O1	RU1	3.7°	90.0°
C1	O11	RU2	RU1	8.0°	90.0°
C1	O11	RU2	O2	88.1°	90.0°
C1	O11	RU2	O3	93.1°	90.0°
C1	O11	RU2	O8	170.1°	90.0°
C1	O11	RU2	CL1	166.4°	90.0°
O11	C1	C6	H1	0.0°	90.0°
O11	C1	C6	H2	120.0°	90.0°
O11	C1	C6	H3	120.0°	90.0°
C6	C1	O1	RU1	173.0°	90.0°
C6	C1	O11	RU2	168.5°	90.0°
C1	C6	H1	H2	120.0°	90.0°
C1	C6	H1	H3	120.0°	90.0°
C1	C6	H2	H3	120.0°	90.0°
C1	O1	RU1	O33	73.2°	90.0°
C1	O1	RU1	O22	89.4°	90.0°
C1	O1	RU1	RU2	1.9°	90.0°
C1	O1	RU1	O7	78.0°	90.0°
C1	O1	RU1	CL2	178.3°	90.0°
O1	C1	O11	RU2	8.6°	90.0°
O1	C1	C6	H1	176.9°	90.0°
O1	C1	C6	H2	56.9°	90.0°
O1	C1	C6	H3	63.1°	90.0°
O1	RU1	O33	O22	136.7°	90.0°
O1	RU1	O33	RU2	85.0°	90.0°
O1	RU1	O33	O7	179.5°	90.0°
O1	RU1	O33	CL2	92.5°	90.0°
O1	RU1	O22	RU2	86.7°	90.0°
O1	RU1	O22	O7	178.8°	90.0°
O1	RU1	O22	CL2	91.0°	90.0°
O1	RU1	RU2	O7	174.6°	90.0°
O1	RU1	RU2	CL2	5.9°	90.0°
O1	RU1	O7	CL2	103.8°	90.0°
O1	RU1	RU2	O2	98.5°	90.0°
O1	RU1	RU2	O3	81.0°	90.0°
O1	RU1	RU2	O11	4.1°	90.0°
O1	RU1	RU2	O8	177.4°	90.0°
O1	RU1	RU2	CL1	125.1°	90.0°
O1	RU1	O22	C2	88.4°	90.0°
O1	RU1	O33	C3	47.7°	90.0°
O1	RU1	O7	C7	80.0°	90.0°
O33	RU1	O22	RU2	48.1°	90.0°
O33	RU1	O22	O7	43.9°	90.0°
O33	RU1	O22	CL2	134.1°	90.0°
O33	RU1	RU2	O7	80.2°	90.0°
O33	RU1	RU2	CL2	88.5°	90.0°
O33	RU1	O7	CL2	108.6°	90.0°
O33	RU1	RU2	O2	167.1°	90.0°
O33	RU1	RU2	O3	13.4°	90.0°
O33	RU1	RU2	O11	98.5°	90.0°
O33	RU1	RU2	O8	83.0°	90.0°
O33	RU1	RU2	CL1	30.8°	90.0°
RU1	O33	C3	O3	45.1°	90.0°
O33	RU1	O22	C2	46.4°	90.0°
RU1	O33	C3	C30	133.8°	90.0°
O33	RU1	O7	C7	75.2°	90.0°
O22	RU1	RU2	O7	80.6°	90.0°
O22	RU1	RU2	CL2	110.8°	90.0°
O22	RU1	O7	CL2	88.5°	90.0°
RU1	O22	C2	O2	14.2°	90.0°
O22	RU1	RU2	O2	6.4°	90.0°
O22	RU1	RU2	O3	174.1°	90.0°
O22	RU1	RU2	O11	100.8°	90.0°
O22	RU1	RU2	O8	77.7°	90.0°
O22	RU1	RU2	CL1	130.0°	90.0°
RU1	O22	C2	C20	166.5°	90.0°
O22	RU1	O33	C3	89.0°	90.0°
O22	RU1	O7	C7	87.7°	90.0°
RU2	RU1	O7	CL2	179.5°	90.0°
RU1	RU2	O2	C2	20.2°	90.0°
RU1	RU2	O2	O3	157.4°	90.0°
RU1	RU2	O2	O11	89.3°	90.0°
RU1	RU2	O2	O8	95.4°	90.0°
RU1	RU2	O2	CL1	174.9°	90.0°
RU1	RU2	O3	O11	89.1°	90.0°
RU1	RU2	O3	O8	95.6°	90.0°
RU1	RU2	O3	CL1	174.8°	90.0°
RU1	RU2	O11	O8	162.1°	90.0°
RU1	RU2	O11	CL1	174.4°	90.0°
RU1	RU2	O8	CL1	174.3°	90.0°
RU1	RU2	O3	C3	3.1°	90.0°
RU2	RU1	O22	C2	1.7°	90.0°
RU2	RU1	O33	C3	37.3°	90.0°
RU2	RU1	O7	C7	4.2°	90.0°
RU1	RU2	O8	C7	1.8°	90.0°
O7	RU1	RU2	O2	86.9°	90.0°
O7	RU1	RU2	O3	93.6°	90.0°
O7	RU1	RU2	O11	178.6°	90.0°
O7	RU1	RU2	O8	2.8°	90.0°
O7	RU1	RU2	CL1	49.4°	90.0°
O7	RU1	O22	C2	90.3°	90.0°
O7	RU1	O33	C3	132.8°	90.0°
RU1	O7	C7	O8	3.6°	90.0°
RU1	O7	C7	C8	179.3°	90.0°
CL2	RU1	RU2	O2	104.4°	90.0°
CL2	RU1	RU2	O3	75.1°	90.0°
CL2	RU1	RU2	O11	10.0°	90.0°
CL2	RU1	RU2	O8	171.5°	90.0°
CL2	RU1	RU2	CL1	119.3°	90.0°
CL2	RU1	O22	C2	179.5°	90.0°
CL2	RU1	O33	C3	140.2°	90.0°
CL2	RU1	O7	C7	176.2°	90.0°
C2	O2	RU2	O3	177.6°	90.0°
C2	O2	RU2	O11	109.5°	90.0°
C2	O2	RU2	O8	75.2°	90.0°
C2	O2	RU2	CL1	154.7°	90.0°
O2	C2	C20	O22	179.2°	90.0°
O2	C2	C20	H20	0.0°	90.0°
O2	C2	C20	H20A	120.0°	90.0°
O2	C2	C20	H9	120.0°	90.0°
O2	RU2	O3	O11	68.2°	90.0°
O2	RU2	O3	O8	107.1°	90.0°
O2	RU2	O3	CL1	27.9°	90.0°
O2	RU2	O11	O8	82.0°	90.0°
O2	RU2	O11	CL1	105.4°	90.0°
O2	RU2	O8	CL1	106.0°	90.0°
O2	RU2	O3	C3	160.4°	90.0°
RU2	O2	C2	C20	155.1°	90.0°
RU2	O2	C2	O22	25.7°	90.0°
O2	RU2	O8	C7	81.4°	90.0°
O3	RU2	O11	O8	96.8°	90.0°
O3	RU2	O11	CL1	73.4°	90.0°
O3	RU2	O8	CL1	72.7°	90.0°
RU2	O3	C3	C30	161.7°	90.0°
RU2	O3	C3	O33	17.2°	90.0°
O3	RU2	O8	C7	99.8°	90.0°
O11	RU2	O8	CL1	23.7°	90.0°
O11	RU2	O3	C3	92.2°	90.0°
O11	RU2	O8	C7	163.8°	90.0°
O8	RU2	O3	C3	92.5°	90.0°
RU2	O8	C7	O7	0.5°	90.0°
RU2	O8	C7	C8	177.3°	90.0°
CL1	RU2	O3	C3	171.7°	90.0°
CL1	RU2	O8	C7	172.5°	90.0°
O3	C3	C30	O33	178.8°	90.0°
O3	C3	C30	H30	0.0°	90.0°
O3	C3	C30	H30A	120.0°	90.0°
O3	C3	C30	H12	120.0°	90.0°
C2	C20	H20	H20A	120.0°	90.0°
C2	C20	H20	H9	120.0°	90.0°
C2	C20	H20A	H9	120.0°	90.0°
H20	C20	H20A	H9	120.0°	90.0°
H20	C20	C2	O22	179.2°	90.0°
H20A	C20	C2	O22	59.2°	90.0°
H9	C20	C2	O22	60.8°	90.0°
C3	C30	H30	H30A	120.0°	90.0°
C3	C30	H30	H12	120.0°	90.0°
C3	C30	H30A	H12	120.0°	90.0°
H30	C30	H30A	H12	120.0°	90.0°
H30	C30	C3	O33	178.8°	90.0°
H30A	C30	C3	O33	61.2°	90.0°
H12	C30	C3	O33	58.8°	90.0°
H1	C6	H2	H3	120.0°	90.0°
O7	C7	O8	C8	176.8°	90.0°
O7	C7	C8	H4	0.0°	90.0°
O7	C7	C8	H5	120.0°	90.0°
O7	C7	C8	H6	120.0°	90.0°
O8	C7	C8	H4	176.3°	90.0°
O8	C7	C8	H5	56.3°	90.0°
O8	C7	C8	H6	63.7°	90.0°
C7	C8	H4	H5	120.0°	90.0°
C7	C8	H4	H6	120.0°	90.0°
C7	C8	H5	H6	120.0°	90.0°
H4	C8	H5	H6	120.0°	90.0°

Release date:	2014-06-18
Definition date:	2014-03-11
Last modified:	2014-06-13
Release status:	REL
Processing site:	RCSB