Obsolete: WRS

WRS was replaced with SWF on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C14	sing	1.47Å	1.49Å	Aromatic
C1	C15	doub	1.40Å	1.43Å	Aromatic
C1	C19	sing	1.40Å	1.43Å	Aromatic
C2	C3	sing	1.53Å	1.54Å
C2	C6	sing	1.51Å	1.53Å
C2	C13	sing	1.51Å	1.55Å
C2	HC2	sing	1.09Å	1.12Å
C3	C4	sing	1.53Å	1.49Å
C3	HC31	sing	1.09Å	1.11Å
C3	HC32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.51Å
C4	O3	sing	1.43Å	1.39Å
C4	HC4	sing	1.09Å	1.12Å
C5	HC1	sing	1.09Å	1.11Å
C5	HA2	sing	1.09Å	1.11Å
C5	HC3	sing	1.09Å	1.12Å
C6	C7	doub	1.38Å	1.42Å	Aromatic
C6	C12	sing	1.38Å	1.41Å	Aromatic
C7	C8	sing	1.38Å	1.41Å	Aromatic
C7	HC7	sing	1.08Å	1.10Å
C8	C9	doub	1.38Å	1.39Å	Aromatic
C8	HC8	sing	1.08Å	1.10Å
C9	C10	sing	1.38Å	1.38Å	Aromatic
C9	HC9	sing	1.08Å	1.10Å
C10	C12	doub	1.38Å	1.41Å	Aromatic
C10	HC01	sing	1.08Å	1.10Å
C11	C13	sing	1.40Å	1.49Å	Aromatic
C11	O1	sing	1.34Å	1.39Å	Aromatic
C11	O2	doub	1.22Å	1.22Å
C12	HC21	sing	1.08Å	1.10Å
C13	C14	doub	1.37Å	1.39Å	Aromatic
C14	O4	sing	1.35Å	1.36Å
C15	C16	sing	1.38Å	1.42Å	Aromatic
C15	HC51	sing	1.08Å	1.10Å
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	HC61	sing	1.08Å	1.10Å
C17	C18	sing	1.38Å	1.40Å	Aromatic
C17	HC71	sing	1.08Å	1.10Å
C18	C19	doub	1.39Å	1.41Å	Aromatic
C18	HC81	sing	1.08Å	1.10Å
C19	O1	sing	1.35Å	1.39Å	Aromatic
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C1	C15	125.5°	121.0°
C14	C1	C19	116.6°	118.9°
C1	C14	C13	122.4°	118.0°
C1	C14	O4	113.7°	121.1°
C15	C1	C19	117.9°	120.0°
C1	C15	C16	120.1°	119.6°
C1	C15	HC51	120.0°	120.2°
C1	C19	C18	121.9°	119.4°
C1	C19	O1	121.1°	119.8°
C3	C2	C6	110.0°	109.5°
C3	C2	C13	110.8°	109.5°
C3	C2	HC2	107.5°	109.5°
C2	C3	C4	112.2°	109.5°
C2	C3	HC31	111.2°	109.5°
C2	C3	HC32	111.2°	109.5°
C6	C2	C13	113.3°	109.5°
C6	C2	HC2	107.5°	109.5°
C2	C6	C7	124.0°	120.0°
C2	C6	C12	118.7°	120.0°
C13	C2	HC2	107.5°	109.4°
C2	C13	C11	121.5°	120.2°
C2	C13	C14	120.3°	120.2°
C4	C3	HC31	111.2°	109.5°
C4	C3	HC32	111.2°	109.5°
C3	C4	C5	114.0°	109.5°
C3	C4	O3	106.0°	109.5°
C3	C4	HC4	108.0°	109.5°
HC31	C3	HC32	99.1°	109.4°
C5	C4	O3	112.8°	109.5°
C5	C4	HC4	108.0°	109.5°
C4	C5	HC1	114.0°	109.5°
C4	C5	HA2	110.6°	109.4°
C4	C5	HC3	110.6°	109.5°
O3	C4	HC4	108.0°	109.5°
C4	O3	HO3	106.0°	106.7°
HC1	C5	HA2	110.5°	109.5°
HC1	C5	HC3	110.6°	109.5°
HA2	C5	HC3	99.7°	109.4°
C7	C6	C12	117.4°	120.0°
C6	C7	C8	120.7°	120.0°
C6	C7	HC7	119.7°	120.0°
C6	C12	C10	121.2°	120.0°
C6	C12	HC21	119.4°	120.0°
C8	C7	HC7	119.6°	120.0°
C7	C8	C9	120.2°	120.0°
C7	C8	HC8	119.9°	120.1°
C9	C8	HC8	119.9°	119.9°
C8	C9	C10	119.8°	120.0°
C8	C9	HC9	120.1°	120.0°
C10	C9	HC9	120.1°	120.0°
C9	C10	C12	120.7°	120.0°
C9	C10	HC01	119.7°	120.0°
C12	C10	HC01	119.6°	120.0°
C10	C12	HC21	119.4°	120.0°
C13	C11	O1	118.8°	121.9°
C13	C11	O2	127.1°	119.0°
C11	C13	C14	118.2°	119.6°
O1	C11	O2	114.1°	119.1°
C11	O1	C19	122.9°	121.7°
C13	C14	O4	124.0°	120.9°
C14	O4	HO4	113.7°	106.8°
C16	C15	HC51	119.9°	120.1°
C15	C16	C17	120.0°	120.3°
C15	C16	HC61	120.0°	119.9°
C17	C16	HC61	120.0°	119.8°
C16	C17	C18	121.2°	120.6°
C16	C17	HC71	119.4°	119.7°
C18	C17	HC71	119.4°	119.7°
C17	C18	C19	118.9°	120.0°
C17	C18	HC81	120.6°	120.0°
C19	C18	HC81	120.5°	120.0°
C18	C19	O1	117.0°	120.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C1	C15	C19	179.7°	179.9°
C1	C14	C13	C2	179.8°	179.9°
C1	C14	C13	C11	0.1°	0.2°
C1	C14	C13	O4	179.9°	179.9°
C14	C1	C15	C16	179.7°	180.0°
C14	C1	C15	HC51	0.3°	0.0°
C14	C1	C19	C18	179.8°	180.0°
C14	C1	C19	O1	0.2°	0.1°
C1	C14	O4	HO4	180.0°	0.1°
C15	C1	C14	C13	179.8°	180.0°
C15	C1	C14	O4	0.1°	0.1°
C1	C15	C16	HC51	180.0°	180.0°
C1	C15	C16	C17	0.0°	0.0°
C1	C15	C16	HC61	180.0°	180.0°
C15	C1	C19	C18	0.0°	0.1°
C15	C1	C19	O1	180.0°	180.0°
C1	C19	O1	C11	0.2°	0.2°
C19	C1	C14	C13	0.1°	0.1°
C19	C1	C14	O4	179.8°	180.0°
C19	C1	C15	C16	0.0°	0.1°
C19	C1	C15	HC51	180.0°	179.9°
C1	C19	C18	C17	0.1°	0.0°
C1	C19	C18	O1	180.0°	179.9°
C1	C19	C18	HC81	179.9°	180.0°
C3	C2	C6	C13	124.7°	120.0°
C3	C2	C6	HC2	116.7°	120.0°
C3	C2	C13	HC2	117.1°	120.0°
C2	C3	C4	HC31	125.3°	120.0°
C2	C3	C4	HC32	125.3°	120.0°
C2	C3	HC31	HC32	117.1°	119.9°
C2	C3	C4	C5	94.7°	180.0°
C2	C3	C4	O3	140.8°	60.0°
C2	C3	C4	HC4	25.3°	60.1°
C3	C2	C6	C7	53.7°	117.6°
C3	C2	C6	C12	126.1°	62.2°
C3	C2	C13	C11	40.7°	174.3°
C3	C2	C13	C14	139.5°	5.4°
C6	C2	C13	HC2	118.6°	120.0°
C6	C2	C3	C4	89.4°	60.0°
C6	C2	C3	HC31	35.8°	60.1°
C6	C2	C3	HC32	145.3°	180.0°
C2	C6	C7	C12	179.8°	179.8°
C2	C6	C7	C8	179.9°	180.0°
C2	C6	C7	HC7	0.1°	0.0°
C2	C6	C12	C10	179.9°	179.8°
C6	C2	C13	C11	83.6°	65.7°
C2	C6	C12	HC21	0.1°	0.2°
C6	C2	C13	C14	96.3°	114.6°
C13	C2	C3	C4	144.4°	180.0°
C13	C2	C3	HC31	90.3°	60.0°
C13	C2	C3	HC32	19.2°	59.9°
C13	C2	C6	C7	71.0°	122.4°
C13	C2	C6	C12	109.2°	57.8°
C2	C13	C11	C14	179.8°	179.7°
C2	C13	C11	O1	179.7°	179.7°
C2	C13	C11	O2	0.3°	0.3°
C2	C13	C14	O4	0.1°	0.0°
HC2	C2	C3	C4	27.3°	60.0°
HC2	C2	C3	HC31	152.6°	179.9°
HC2	C2	C3	HC32	98.0°	60.0°
HC2	C2	C6	C7	170.4°	2.4°
HC2	C2	C6	C12	9.4°	177.8°
HC2	C2	C13	C11	157.8°	54.3°
HC2	C2	C13	C14	22.4°	125.4°
C4	C3	HC31	HC32	117.1°	120.0°
C3	C4	C5	O3	120.9°	120.0°
C3	C4	C5	HC4	119.9°	120.0°
C3	C4	O3	HC4	115.5°	120.0°
C3	C4	C5	HC1	180.0°	180.0°
C3	C4	C5	HA2	54.7°	60.0°
C3	C4	C5	HC3	54.7°	59.9°
C3	C4	O3	HO3	180.0°	60.0°
HC31	C3	C4	C5	140.1°	59.9°
HC31	C3	C4	O3	15.5°	60.0°
HC31	C3	C4	HC4	100.0°	179.9°
HC32	C3	C4	C5	30.6°	60.0°
HC32	C3	C4	O3	94.0°	180.0°
HC32	C3	C4	HC4	150.5°	60.0°
C5	C4	O3	HC4	119.2°	120.0°
C4	C5	HC1	HA2	125.3°	119.9°
C4	C5	HC1	HC3	125.3°	120.1°
C4	C5	HA2	HC3	116.4°	120.0°
C5	C4	O3	HO3	54.7°	60.0°
O3	C4	C5	HC1	59.1°	60.0°
O3	C4	C5	HA2	66.1°	180.0°
O3	C4	C5	HC3	175.6°	60.1°
HC4	C4	C5	HC1	60.1°	60.0°
HC4	C4	C5	HA2	174.7°	60.0°
HC4	C4	C5	HC3	65.2°	179.9°
HC4	C4	O3	HO3	64.5°	180.0°
HC1	C5	HA2	HC3	116.4°	120.1°
C6	C7	C8	HC7	180.0°	180.0°
C6	C7	C8	C9	0.0°	0.1°
C6	C7	C8	HC8	180.0°	180.0°
C7	C6	C12	C10	0.1°	0.5°
C7	C6	C12	HC21	179.9°	180.0°
C12	C6	C7	C8	0.1°	0.3°
C12	C6	C7	HC7	179.9°	179.8°
C6	C12	C10	C9	0.0°	0.5°
C6	C12	C10	HC21	180.0°	179.6°
C6	C12	C10	HC01	180.0°	179.8°
C7	C8	C9	HC8	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.1°
C7	C8	C9	HC9	179.9°	180.0°
HC7	C7	C8	C9	179.9°	180.0°
HC7	C7	C8	HC8	0.0°	0.0°
C8	C9	C10	HC9	180.0°	179.9°
C8	C9	C10	C12	0.1°	0.3°
C8	C9	C10	HC01	179.9°	180.0°
HC8	C8	C9	C10	179.9°	180.0°
HC8	C8	C9	HC9	0.1°	0.1°
C9	C10	C12	HC01	180.0°	179.8°
C9	C10	C12	HC21	180.0°	180.0°
HC9	C9	C10	C12	179.9°	179.8°
HC9	C9	C10	HC01	0.1°	0.1°
HC01	C10	C12	HC21	0.0°	0.2°
C13	C11	O1	O2	180.0°	179.4°
C11	C13	C14	O4	180.0°	179.7°
C13	C11	O1	C19	0.0°	0.5°
O1	C11	C13	C14	0.1°	0.5°
C11	O1	C19	C18	179.8°	179.7°
O2	C11	C13	C14	179.9°	180.0°
O2	C11	O1	C19	180.0°	180.0°
C13	C14	O4	HO4	0.0°	180.0°
C15	C16	C17	HC61	180.0°	179.9°
C15	C16	C17	C18	0.1°	0.1°
C15	C16	C17	HC71	179.9°	180.0°
HC51	C15	C16	C17	180.0°	180.0°
HC51	C15	C16	HC61	0.1°	0.1°
C16	C17	C18	HC71	180.0°	179.9°
C16	C17	C18	C19	0.1°	0.1°
C16	C17	C18	HC81	179.9°	179.9°
HC61	C16	C17	C18	179.9°	179.9°
HC61	C16	C17	HC71	0.1°	0.1°
C17	C18	C19	HC81	180.0°	179.9°
C17	C18	C19	O1	179.9°	179.9°
HC71	C17	C18	C19	179.9°	180.0°
HC71	C17	C18	HC81	0.1°	0.1°
HC81	C18	C19	O1	0.1°	0.1°

Definition date:	2001-03-28
Last modified:	2011-11-03
Release status:	OBS
Processing site:	EBI
Replaced by:	SWF