KBW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	RE1	sing	0.00Å	2.17Å
O1	RE3	sing	0.00Å	2.16Å
O1	RE4	sing	0.00Å	2.18Å
C1	O4	doub	0.00Å	1.17Å
C1	RE3	sing	0.00Å	1.90Å
O3	RE1	sing	0.00Å	2.18Å
O3	RE2	sing	0.00Å	2.18Å
O3	RE4	sing	0.00Å	2.17Å
O2	C7	doub	0.00Å	1.16Å
C10	O13	doub	0.00Å	1.15Å
C10	RE4	sing	0.00Å	1.92Å
C11	O14	doub	0.00Å	1.15Å
C11	RE4	sing	0.00Å	1.88Å
C12	O15	doub	0.00Å	1.18Å
C12	RE4	sing	0.00Å	1.91Å
C2	O8	doub	0.00Å	1.14Å
C2	RE2	sing	0.00Å	1.91Å
C3	O7	doub	0.00Å	1.15Å
C3	RE2	sing	0.00Å	1.90Å
C4	O6	doub	0.00Å	1.14Å
C4	RE2	sing	0.00Å	1.91Å
C5	O9	doub	0.00Å	1.15Å
C5	RE1	sing	0.00Å	1.90Å
C6	O10	doub	0.00Å	1.14Å
C6	RE3	sing	0.00Å	1.91Å
C7	RE1	sing	0.00Å	1.90Å
C8	O11	doub	0.00Å	1.13Å
C8	RE3	sing	0.00Å	1.91Å
C9	O12	doub	0.00Å	1.17Å
C9	RE1	sing	0.00Å	1.88Å
O16	RE2	sing	0.00Å	2.16Å
O16	RE3	sing	0.00Å	2.17Å
O16	RE4	sing	0.00Å	2.17Å
O5	RE1	sing	0.00Å	2.18Å
O5	RE2	sing	0.00Å	2.17Å
O5	RE3	sing	0.00Å	2.17Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
RE1	O1	RE3	103.3°	90.0°
RE1	O1	RE4	104.8°	90.0°
O1	RE1	O3	73.4°	90.0°
O1	RE1	C5	96.2°	90.0°
O1	RE1	C7	171.4°	90.0°
O1	RE1	C9	99.5°	90.0°
O1	RE1	O5	74.1°	90.0°
RE3	O1	RE4	104.1°	90.0°
O1	RE3	C1	97.0°	90.0°
O1	RE3	C6	169.8°	90.0°
O1	RE3	C8	100.3°	90.0°
O1	RE3	O16	73.9°	90.0°
O1	RE3	O5	74.5°	90.0°
O1	RE4	O3	73.5°	90.0°
O1	RE4	C10	169.1°	90.0°
O1	RE4	C11	101.2°	90.0°
O1	RE4	C12	97.3°	90.0°
O1	RE4	O16	73.6°	90.0°
O4	C1	RE3	176.0°	90.0°
C1	RE3	C6	89.6°	90.0°
C1	RE3	C8	86.9°	90.0°
C1	RE3	O16	99.5°	90.0°
C1	RE3	O5	169.8°	90.0°
RE1	O3	RE2	104.4°	90.0°
RE1	O3	RE4	104.6°	90.0°
O3	RE1	C5	97.4°	90.0°
O3	RE1	C7	99.6°	90.0°
O3	RE1	C9	170.4°	90.0°
O3	RE1	O5	73.1°	90.0°
RE2	O3	RE4	102.9°	90.0°
O3	RE2	C2	98.2°	90.0°
O3	RE2	C3	100.1°	90.0°
O3	RE2	C4	171.3°	90.0°
O3	RE2	O16	74.3°	90.0°
O3	RE2	O5	73.5°	90.0°
O3	RE4	C10	98.0°	90.0°
O3	RE4	C11	98.8°	90.0°
O3	RE4	C12	169.2°	90.0°
O3	RE4	O16	74.2°	90.0°
O2	C7	RE1	175.7°	90.0°
O13	C10	RE4	178.6°	90.0°
C10	RE4	C11	86.7°	90.0°
C10	RE4	C12	90.4°	90.0°
C10	RE4	O16	97.8°	90.0°
O14	C11	RE4	177.8°	90.0°
C11	RE4	C12	88.4°	90.0°
C11	RE4	O16	172.1°	90.0°
O15	C12	RE4	177.5°	90.0°
C12	RE4	O16	98.1°	90.0°
O8	C2	RE2	177.8°	90.0°
C2	RE2	C3	88.2°	90.0°
C2	RE2	C4	86.3°	90.0°
C2	RE2	O16	99.6°	90.0°
C2	RE2	O5	170.1°	90.0°
O7	C3	RE2	176.0°	90.0°
C3	RE2	C4	87.5°	90.0°
C3	RE2	O16	170.9°	90.0°
C3	RE2	O5	98.5°	90.0°
O6	C4	RE2	179.2°	90.0°
C4	RE2	O16	97.7°	90.0°
C4	RE2	O5	101.2°	90.0°
O9	C5	RE1	176.5°	90.0°
C5	RE1	C7	89.7°	90.0°
C5	RE1	C9	89.7°	90.0°
C5	RE1	O5	167.9°	90.0°
O10	C6	RE3	178.8°	90.0°
C6	RE3	C8	87.8°	90.0°
C6	RE3	O16	97.5°	90.0°
C6	RE3	O5	98.1°	90.0°
C7	RE1	C9	86.7°	90.0°
C7	RE1	O5	99.2°	90.0°
O11	C8	RE3	177.1°	90.0°
C8	RE3	O16	171.7°	90.0°
C8	RE3	O5	100.0°	90.0°
O12	C9	RE1	178.2°	90.0°
C9	RE1	O5	98.9°	90.0°
RE2	O16	RE3	105.2°	90.0°
RE2	O16	RE4	103.6°	90.0°
O16	RE2	O5	73.1°	90.0°
RE3	O16	RE4	104.3°	90.0°
O16	RE3	O5	73.0°	90.0°
RE1	O5	RE2	105.0°	90.0°
RE1	O5	RE3	102.9°	90.0°
RE2	O5	RE3	105.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
RE1	O1	RE3	RE4	109.3°	90.0°
RE1	O1	RE3	C1	168.3°	90.0°
O1	RE1	O3	C5	94.3°	90.0°
O1	RE1	O3	C7	174.8°	90.0°
O1	RE1	O3	C9	43.4°	90.0°
O1	RE1	O3	O5	78.0°	90.0°
O1	RE1	O3	RE2	93.1°	90.0°
RE1	O1	RE4	O3	14.7°	90.0°
O1	RE1	C7	O2	114.8°	90.0°
RE1	O1	RE4	C10	54.3°	90.0°
RE1	O1	RE4	C11	81.3°	90.0°
RE1	O1	RE4	C12	171.1°	90.0°
O1	RE1	C5	O9	25.8°	90.0°
O1	RE1	C5	C7	173.7°	90.0°
O1	RE1	C5	C9	99.5°	90.0°
O1	RE1	C5	O5	36.3°	90.0°
RE1	O1	RE3	C6	61.5°	90.0°
O1	RE1	C7	C9	137.0°	90.0°
O1	RE1	C7	O5	38.5°	90.0°
RE1	O1	RE3	C8	80.2°	90.0°
O1	RE1	C9	O12	23.1°	90.0°
O1	RE1	C9	O5	75.3°	90.0°
RE1	O1	RE3	O16	93.8°	90.0°
RE1	O1	RE4	O16	92.6°	90.0°
O1	RE1	O5	RE2	92.3°	90.0°
RE1	O1	RE3	O5	17.5°	90.0°
O1	RE3	C1	O4	38.3°	90.0°
O1	RE3	C1	C6	172.2°	90.0°
O1	RE3	C1	C8	100.0°	90.0°
O1	RE3	C1	O16	74.7°	90.0°
O1	RE3	C1	O5	33.0°	90.0°
RE3	O1	RE1	O3	94.1°	90.0°
RE3	O1	RE4	O3	93.5°	90.0°
RE3	O1	RE4	C10	53.9°	90.0°
RE3	O1	RE4	C11	170.5°	90.0°
RE3	O1	RE4	C12	80.7°	90.0°
RE3	O1	RE1	C5	169.9°	90.0°
O1	RE3	C6	O10	37.2°	90.0°
O1	RE3	C6	C8	142.4°	90.0°
O1	RE3	C6	O16	31.2°	90.0°
O1	RE3	C6	O5	42.6°	90.0°
RE3	O1	RE1	C7	57.1°	90.0°
O1	RE3	C8	O11	172.2°	90.0°
O1	RE3	C8	O16	44.4°	90.0°
O1	RE3	C8	O5	75.8°	90.0°
RE3	O1	RE1	C9	79.2°	90.0°
O1	RE3	O16	RE2	93.1°	90.0°
O1	RE3	O16	O5	78.3°	90.0°
RE3	O1	RE4	O16	15.6°	90.0°
O1	RE3	O5	RE2	92.2°	90.0°
RE4	O1	RE3	C1	82.4°	90.0°
O1	RE4	O3	RE2	94.3°	90.0°
O1	RE4	O3	C10	173.0°	90.0°
O1	RE4	O3	C11	99.1°	90.0°
O1	RE4	O3	C12	32.3°	90.0°
O1	RE4	O3	O16	77.1°	90.0°
O1	RE4	C10	O13	90.3°	90.0°
O1	RE4	C10	C11	136.6°	90.0°
O1	RE4	C10	C12	135.0°	90.0°
O1	RE4	C10	O16	36.9°	90.0°
O1	RE4	C11	O14	165.4°	90.0°
O1	RE4	C11	C12	97.1°	90.0°
O1	RE4	C11	O16	47.4°	90.0°
O1	RE4	C12	O15	20.9°	90.0°
O1	RE4	C12	O16	74.4°	90.0°
RE4	O1	RE1	C5	81.3°	90.0°
RE4	O1	RE3	C6	47.8°	90.0°
RE4	O1	RE1	C7	51.6°	90.0°
RE4	O1	RE3	C8	170.5°	90.0°
RE4	O1	RE1	C9	172.0°	90.0°
O1	RE4	O16	RE2	94.4°	90.0°
RE4	O1	RE1	O5	91.3°	90.0°
RE4	O1	RE3	O5	91.9°	90.0°
O4	C1	RE3	C6	149.5°	90.0°
O4	C1	RE3	C8	61.7°	90.0°
O4	C1	RE3	O16	113.0°	90.0°
O4	C1	RE3	O5	71.3°	90.0°
C1	RE3	C6	O10	93.5°	90.0°
C1	RE3	C6	C8	86.9°	90.0°
C1	RE3	C6	O16	99.6°	90.0°
C1	RE3	C6	O5	173.3°	90.0°
C1	RE3	C8	O11	91.2°	90.0°
C1	RE3	C8	O16	141.0°	90.0°
C1	RE3	C8	O5	172.4°	90.0°
C1	RE3	O16	RE2	172.3°	90.0°
C1	RE3	O16	O5	172.9°	90.0°
C1	RE3	O16	RE4	79.0°	90.0°
C1	RE3	O5	RE1	51.6°	90.0°
C1	RE3	O5	RE2	58.1°	90.0°
RE1	O3	RE2	RE4	109.0°	90.0°
O3	RE1	C7	O2	150.6°	90.0°
RE1	O3	RE4	C10	172.4°	90.0°
RE1	O3	RE4	C11	84.5°	90.0°
RE1	O3	RE4	C12	46.9°	90.0°
RE1	O3	RE2	C2	170.5°	90.0°
RE1	O3	RE2	C3	80.8°	90.0°
RE1	O3	RE2	C4	69.0°	90.0°
O3	RE1	C5	O9	99.8°	90.0°
O3	RE1	C5	C7	99.7°	90.0°
O3	RE1	C5	C9	173.6°	90.0°
O3	RE1	C5	O5	37.7°	90.0°
O3	RE1	C7	C9	172.8°	90.0°
O3	RE1	C7	O5	74.3°	90.0°
O3	RE1	C9	O12	65.0°	90.0°
O3	RE1	C9	O5	33.4°	90.0°
RE1	O3	RE2	O16	91.8°	90.0°
RE1	O3	RE4	O16	91.7°	90.0°
RE1	O3	RE2	O5	15.1°	90.0°
O3	RE1	O5	RE3	94.4°	90.0°
RE2	O3	RE4	C10	78.7°	90.0°
RE2	O3	RE4	C11	166.6°	90.0°
RE2	O3	RE4	C12	62.0°	90.0°
O3	RE2	C2	O8	46.6°	90.0°
O3	RE2	C2	C3	100.0°	90.0°
O3	RE2	C2	C4	172.5°	90.0°
O3	RE2	C2	O16	75.3°	90.0°
O3	RE2	C2	O5	33.0°	90.0°
O3	RE2	C3	O7	38.0°	90.0°
O3	RE2	C3	C4	175.6°	90.0°
O3	RE2	C3	O16	51.1°	90.0°
O3	RE2	C3	O5	74.6°	90.0°
O3	RE2	C4	O6	93.1°	90.0°
O3	RE2	C4	O16	22.1°	90.0°
O3	RE2	C4	O5	52.1°	90.0°
RE2	O3	RE1	C5	172.6°	90.0°
RE2	O3	RE1	C7	81.6°	90.0°
RE2	O3	RE1	C9	49.7°	90.0°
O3	RE2	O16	O5	77.1°	90.0°
O3	RE2	O16	RE3	91.9°	90.0°
RE2	O3	RE4	O16	17.2°	90.0°
O3	RE2	O5	RE3	92.9°	90.0°
O3	RE4	C10	O13	52.2°	90.0°
O3	RE4	C10	C11	98.5°	90.0°
O3	RE4	C10	C12	173.2°	90.0°
O3	RE4	C10	O16	75.0°	90.0°
O3	RE4	C11	O14	119.8°	90.0°
O3	RE4	C11	C12	171.9°	90.0°
O3	RE4	C11	O16	27.4°	90.0°
O3	RE4	C12	O15	52.0°	90.0°
O3	RE4	C12	O16	43.3°	90.0°
RE4	O3	RE2	C2	80.5°	90.0°
RE4	O3	RE2	C3	170.2°	90.0°
RE4	O3	RE2	C4	40.0°	90.0°
RE4	O3	RE1	C5	79.7°	90.0°
RE4	O3	RE1	C7	170.6°	90.0°
RE4	O3	RE1	C9	58.0°	90.0°
O3	RE4	O16	RE3	92.6°	90.0°
RE4	O3	RE1	O5	92.6°	90.0°
RE4	O3	RE2	O5	93.9°	90.0°
O2	C7	RE1	C5	111.9°	90.0°
O2	C7	RE1	C9	22.2°	90.0°
O2	C7	RE1	O5	76.3°	90.0°
O13	C10	RE4	C11	46.3°	90.0°
O13	C10	RE4	C12	134.6°	90.0°
O13	C10	RE4	O16	127.2°	90.0°
C10	RE4	C11	O14	22.2°	90.0°
C10	RE4	C11	C12	90.5°	90.0°
C10	RE4	C11	O16	125.0°	90.0°
C10	RE4	C12	O15	166.8°	90.0°
C10	RE4	C12	O16	97.9°	90.0°
C10	RE4	O16	RE2	78.8°	90.0°
C10	RE4	O16	RE3	171.2°	90.0°
O14	C11	RE4	C12	68.3°	90.0°
O14	C11	RE4	O16	147.2°	90.0°
C11	RE4	C12	O15	80.1°	90.0°
C11	RE4	C12	O16	175.4°	90.0°
C11	RE4	O16	RE2	45.5°	90.0°
C11	RE4	O16	RE3	64.4°	90.0°
O15	C12	RE4	O16	95.3°	90.0°
C12	RE4	O16	RE2	170.3°	90.0°
C12	RE4	O16	RE3	79.8°	90.0°
O8	C2	RE2	C3	146.6°	90.0°
O8	C2	RE2	C4	125.8°	90.0°
O8	C2	RE2	O16	28.7°	90.0°
O8	C2	RE2	O5	13.7°	90.0°
C2	RE2	C3	O7	60.0°	90.0°
C2	RE2	C3	C4	86.3°	90.0°
C2	RE2	C3	O16	149.1°	90.0°
C2	RE2	C3	O5	172.7°	90.0°
C2	RE2	C4	O6	145.6°	90.0°
C2	RE2	C4	O16	99.2°	90.0°
C2	RE2	C4	O5	173.5°	90.0°
C2	RE2	O16	O5	173.0°	90.0°
C2	RE2	O16	RE3	172.2°	90.0°
C2	RE2	O16	RE4	78.6°	90.0°
C2	RE2	O5	RE1	49.4°	90.0°
C2	RE2	O5	RE3	58.7°	90.0°
O7	C3	RE2	C4	146.4°	90.0°
O7	C3	RE2	O16	89.1°	90.0°
O7	C3	RE2	O5	112.6°	90.0°
C3	RE2	C4	O6	57.2°	90.0°
C3	RE2	C4	O16	172.4°	90.0°
C3	RE2	C4	O5	98.2°	90.0°
C3	RE2	O16	O5	24.4°	90.0°
C3	RE2	O16	RE3	39.2°	90.0°
C3	RE2	O16	RE4	70.1°	90.0°
C3	RE2	O5	RE1	82.8°	90.0°
C3	RE2	O5	RE3	169.0°	90.0°
O6	C4	RE2	O16	115.2°	90.0°
O6	C4	RE2	O5	40.9°	90.0°
C4	RE2	O16	O5	99.5°	90.0°
C4	RE2	O16	RE3	84.7°	90.0°
C4	RE2	O16	RE4	166.1°	90.0°
C4	RE2	O5	RE1	171.9°	90.0°
C4	RE2	O5	RE3	80.0°	90.0°
O9	C5	RE1	C7	160.5°	90.0°
O9	C5	RE1	C9	73.7°	90.0°
O9	C5	RE1	O5	62.1°	90.0°
C5	RE1	C7	C9	89.7°	90.0°
C5	RE1	C7	O5	171.8°	90.0°
C5	RE1	C9	O12	73.2°	90.0°
C5	RE1	C9	O5	171.5°	90.0°
C5	RE1	O5	RE2	54.6°	90.0°
C5	RE1	O5	RE3	55.0°	90.0°
O10	C6	RE3	C8	179.6°	90.0°
O10	C6	RE3	O16	6.0°	90.0°
O10	C6	RE3	O5	79.8°	90.0°
C6	RE3	C8	O11	1.6°	90.0°
C6	RE3	C8	O16	129.4°	90.0°
C6	RE3	C8	O5	97.9°	90.0°
C6	RE3	O16	RE2	81.5°	90.0°
C6	RE3	O16	O5	96.3°	90.0°
C6	RE3	O16	RE4	169.8°	90.0°
C6	RE3	O5	RE1	169.7°	90.0°
C6	RE3	O5	RE2	80.6°	90.0°
C7	RE1	C9	O12	162.9°	90.0°
C7	RE1	C9	O5	98.8°	90.0°
C7	RE1	O5	RE2	82.2°	90.0°
C7	RE1	O5	RE3	168.2°	90.0°
O11	C8	RE3	O16	127.8°	90.0°
O11	C8	RE3	O5	96.3°	90.0°
C8	RE3	O16	RE2	47.3°	90.0°
C8	RE3	O16	O5	32.5°	90.0°
C8	RE3	O16	RE4	61.4°	90.0°
C8	RE3	O5	RE1	80.6°	90.0°
C8	RE3	O5	RE2	169.8°	90.0°
O12	C9	RE1	O5	98.4°	90.0°
C9	RE1	O5	RE2	170.3°	90.0°
C9	RE1	O5	RE3	80.1°	90.0°
RE2	O16	RE3	RE4	108.7°	90.0°
O16	RE2	O5	RE1	93.4°	90.0°
RE2	O16	RE3	O5	14.8°	90.0°
O16	RE3	O5	RE1	94.9°	90.0°
RE4	O16	RE2	O5	94.4°	90.0°
RE4	O16	RE3	O5	93.9°	90.0°
RE1	O5	RE2	RE3	108.1°	90.0°

Release date:	2019-06-19
Definition date:	2019-05-10
Last modified:	2019-06-14
Release status:	REL
Processing site:	EBI
Derived from:	6RO3