L92

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C1	sing	1.34Å	1.25Å
O2	HO2	sing	0.97Å	0.95Å
C1	C2	sing	1.51Å	1.50Å
C1	O1	doub	1.21Å	1.25Å
C2	C3	sing	1.53Å	1.54Å
C2	N1	sing	1.46Å	1.49Å
C2	H2	sing	1.09Å	1.10Å
N1	C13	sing	1.36Å	1.34Å	Aromatic
N1	C10	sing	1.36Å	1.34Å	Aromatic
C13	C12	doub	1.35Å	1.37Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C12	C11	sing	1.41Å	1.37Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C11	C10	doub	1.35Å	1.38Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C3	C4	sing	1.51Å	1.52Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C9	doub	1.38Å	1.40Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.40Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C8	C7	doub	1.38Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C7	C14	sing	1.51Å	1.52Å
C7	C6	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C14	C15	sing	1.53Å	1.52Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C15	C16	sing	1.53Å	1.50Å
C15	H151	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C16	C17	sing	1.51Å	1.49Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
C17	C19	doub	1.35Å	1.36Å	Aromatic
C17	N2	sing	1.34Å	1.35Å	Aromatic
C19	O3	sing	1.35Å	1.35Å	Aromatic
C19	C26	sing	1.51Å	1.48Å
C26	H261	sing	1.09Å	1.10Å
C26	H262	sing	1.09Å	1.10Å
C26	H263	sing	1.09Å	1.10Å
O3	C18	sing	1.35Å	1.38Å	Aromatic
C18	C20	sing	1.48Å	1.39Å	Aromatic
C18	N2	doub	1.31Å	1.38Å	Aromatic
C20	C21	sing	1.40Å	1.40Å	Aromatic
C20	C25	doub	1.40Å	1.39Å	Aromatic
C25	C24	sing	1.38Å	1.40Å	Aromatic
C25	H25	sing	1.08Å	1.08Å
C24	C23	doub	1.38Å	1.39Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C23	C22	sing	1.38Å	1.39Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C21	H21	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	O2	HO2	109.5°	116.9°
O2	C1	C2	117.9°	120.0°
O2	C1	O1	122.7°	120.0°
C2	C1	O1	119.3°	120.0°
C1	C2	C3	113.2°	109.5°
C1	C2	N1	108.1°	109.5°
C1	C2	H2	109.2°	109.4°
C3	C2	N1	113.1°	109.5°
C3	C2	H2	103.8°	109.4°
C2	C3	C4	107.5°	109.5°
C2	C3	H31	110.1°	109.5°
C2	C3	H32	110.5°	109.4°
N1	C2	H2	109.3°	109.5°
C2	N1	C13	128.6°	125.6°
C2	N1	C10	122.9°	125.6°
C13	N1	C10	108.4°	108.7°
N1	C13	C12	108.9°	108.3°
N1	C13	H13	125.5°	125.9°
N1	C10	C11	108.8°	108.3°
N1	C10	H10	125.6°	125.9°
C12	C13	H13	125.6°	125.9°
C13	C12	C11	106.9°	107.4°
C13	C12	H12	126.5°	126.3°
C11	C12	H12	126.5°	126.3°
C12	C11	C10	106.9°	107.4°
C12	C11	H11	126.6°	126.3°
C10	C11	H11	126.5°	126.3°
C11	C10	H10	125.6°	125.8°
C4	C3	H31	110.1°	109.5°
C4	C3	H32	110.6°	109.5°
C3	C4	C9	123.3°	120.0°
C3	C4	C5	117.7°	120.0°
H31	C3	H32	108.0°	109.5°
C9	C4	C5	119.0°	120.0°
C4	C9	C8	120.5°	120.0°
C4	C9	H9	119.7°	120.0°
C4	C5	C6	120.4°	120.0°
C4	C5	H5	119.8°	120.0°
C8	C9	H9	119.8°	120.0°
C9	C8	C7	120.0°	120.0°
C9	C8	H8	120.0°	120.0°
C7	C8	H8	120.0°	120.0°
C8	C7	C14	124.4°	120.0°
C8	C7	C6	118.8°	120.0°
C14	C7	C6	116.8°	120.0°
C7	C14	C15	117.2°	109.5°
C7	C14	H141	107.0°	109.5°
C7	C14	H142	105.2°	109.4°
C7	C6	C5	121.3°	120.0°
C7	C6	H6	119.4°	120.0°
C5	C6	H6	119.3°	120.0°
C6	C5	H5	119.8°	120.0°
C15	C14	H141	107.0°	109.5°
C15	C14	H142	105.2°	109.5°
C14	C15	C16	112.1°	109.5°
C14	C15	H151	108.6°	109.5°
C14	C15	H152	108.0°	109.5°
H141	C14	H142	115.7°	109.5°
C16	C15	H151	108.6°	109.5°
C16	C15	H152	108.1°	109.4°
C15	C16	C17	124.3°	109.5°
C15	C16	H161	104.8°	109.5°
C15	C16	H162	101.3°	109.4°
H151	C15	H152	111.5°	109.5°
C17	C16	H161	104.8°	109.5°
C17	C16	H162	101.3°	109.5°
C16	C17	C19	124.6°	126.0°
C16	C17	N2	126.4°	126.1°
H161	C16	H162	122.0°	109.5°
C19	C17	N2	109.0°	107.8°
C17	C19	O3	109.6°	107.3°
C17	C19	C26	129.0°	126.4°
C17	N2	C18	105.9°	108.7°
O3	C19	C26	121.4°	126.4°
C19	O3	C18	105.5°	107.7°
C19	C26	H261	109.5°	109.5°
C19	C26	H262	109.4°	109.5°
C19	C26	H263	109.4°	109.5°
H261	C26	H262	109.5°	109.4°
H261	C26	H263	109.4°	109.5°
H262	C26	H263	109.5°	109.5°
O3	C18	C20	121.7°	125.7°
O3	C18	N2	110.0°	108.5°
C20	C18	N2	128.4°	125.8°
C18	C20	C21	119.2°	120.1°
C18	C20	C25	121.3°	120.1°
C21	C20	C25	119.5°	119.7°
C20	C21	C22	120.5°	119.8°
C20	C21	H21	119.8°	120.1°
C20	C25	C24	120.1°	119.9°
C20	C25	H25	120.0°	120.1°
C24	C25	H25	119.9°	120.1°
C25	C24	C23	120.1°	120.1°
C25	C24	H24	119.9°	119.9°
C23	C24	H24	119.9°	119.9°
C24	C23	C22	119.9°	120.3°
C24	C23	H23	120.1°	119.8°
C22	C23	H23	120.0°	119.8°
C23	C22	C21	119.9°	120.1°
C23	C22	H22	120.1°	120.0°
C21	C22	H22	120.1°	119.9°
C22	C21	H21	119.7°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	C2	O1	178.8°	179.9°
O2	C1	C2	C3	130.8°	180.0°
O2	C1	C2	N1	103.0°	60.0°
O2	C1	C2	H2	15.8°	60.0°
HO2	O2	C1	C2	178.8°	180.0°
HO2	O2	C1	O1	0.0°	0.0°
C1	C2	C3	N1	123.4°	120.0°
C1	C2	C3	H2	118.3°	120.0°
C1	C2	N1	H2	118.8°	120.0°
C1	C2	N1	C13	115.8°	120.0°
C1	C2	N1	C10	65.0°	59.7°
C1	C2	C3	C4	162.1°	64.9°
C1	C2	C3	H31	77.9°	175.0°
C1	C2	C3	H32	41.3°	55.0°
O1	C1	C2	C3	50.4°	0.1°
O1	C1	C2	N1	75.8°	119.9°
O1	C1	C2	H2	165.4°	120.0°
C3	C2	N1	H2	115.0°	120.0°
C3	C2	N1	C13	10.4°	120.0°
C3	C2	N1	C10	168.8°	60.3°
C2	C3	C4	H31	120.0°	120.1°
C2	C3	C4	H32	120.7°	120.0°
C2	C3	H31	H32	120.8°	120.0°
C2	C3	C4	C9	107.7°	90.0°
C2	C3	C4	C5	71.3°	90.3°
C2	N1	C13	C10	179.3°	179.7°
C2	N1	C13	C12	179.5°	180.0°
C2	N1	C13	H13	0.5°	0.1°
C2	N1	C10	C11	179.6°	179.9°
C2	N1	C10	H10	0.4°	0.0°
N1	C2	C3	C4	74.5°	175.0°
N1	C2	C3	H31	45.6°	55.0°
N1	C2	C3	H32	164.8°	65.0°
H2	C2	N1	C13	125.4°	0.0°
H2	C2	N1	C10	53.8°	179.7°
H2	C2	C3	C4	43.8°	55.0°
H2	C2	C3	H31	163.8°	65.0°
H2	C2	C3	H32	76.9°	175.0°
N1	C13	C12	H13	180.0°	179.9°
N1	C13	C12	C11	0.2°	0.1°
N1	C13	C12	H12	179.8°	180.0°
C13	N1	C10	C11	0.2°	0.5°
C13	N1	C10	H10	179.8°	179.7°
C10	N1	C13	C12	0.3°	0.3°
C10	N1	C13	H13	179.8°	179.8°
N1	C10	C11	C12	0.1°	0.4°
N1	C10	C11	H10	180.0°	179.9°
N1	C10	C11	H11	179.9°	179.8°
C13	C12	C11	H12	180.0°	180.0°
C13	C12	C11	C10	0.0°	0.2°
C13	C12	C11	H11	179.9°	180.0°
H13	C13	C12	C11	179.8°	179.9°
H13	C13	C12	H12	0.1°	0.1°
C12	C11	C10	H11	180.0°	179.8°
C12	C11	C10	H10	179.9°	179.7°
H12	C12	C11	C10	180.0°	179.7°
H12	C12	C11	H11	0.1°	0.1°
H11	C11	C10	H10	0.1°	0.1°
C4	C3	H31	H32	120.8°	120.0°
C3	C4	C9	C5	179.0°	179.8°
C3	C4	C9	C8	179.0°	180.0°
C3	C4	C9	H9	1.0°	0.1°
C3	C4	C5	C6	178.8°	179.7°
C3	C4	C5	H5	1.1°	0.0°
H31	C3	C4	C9	12.3°	30.1°
H31	C3	C4	C5	168.7°	149.7°
H32	C3	C4	C9	131.5°	150.1°
H32	C3	C4	C5	49.5°	29.7°
C4	C9	C8	H9	180.0°	179.9°
C4	C9	C8	C7	0.4°	0.1°
C4	C9	C8	H8	179.6°	180.0°
C9	C4	C5	C6	0.2°	0.5°
C9	C4	C5	H5	179.8°	179.8°
C5	C4	C9	C8	0.0°	0.2°
C5	C4	C9	H9	179.9°	179.7°
C4	C5	C6	C7	0.8°	0.5°
C4	C5	C6	H5	180.0°	179.7°
C4	C5	C6	H6	179.3°	179.7°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C14	179.1°	180.0°
C9	C8	C7	C6	0.9°	0.1°
H9	C9	C8	C7	179.6°	180.0°
H9	C9	C8	H8	0.4°	0.1°
C8	C7	C14	C6	178.2°	180.0°
C8	C7	C6	C5	1.1°	0.2°
C8	C7	C6	H6	178.9°	180.0°
C8	C7	C14	C15	46.7°	89.9°
C8	C7	C14	H141	166.7°	150.0°
C8	C7	C14	H142	69.7°	30.1°
H8	C8	C7	C14	1.0°	0.0°
H8	C8	C7	C6	179.1°	180.0°
C14	C7	C6	C5	179.4°	179.7°
C14	C7	C6	H6	0.6°	0.0°
C7	C14	C15	H141	120.0°	120.0°
C7	C14	C15	H142	116.4°	120.0°
C7	C14	H141	H142	116.8°	119.9°
C7	C14	C15	C16	81.7°	180.0°
C7	C14	C15	H151	38.3°	60.0°
C7	C14	C15	H152	159.4°	60.0°
C7	C6	C5	H6	180.0°	179.8°
C7	C6	C5	H5	179.3°	179.8°
C6	C7	C14	C15	135.1°	90.0°
C6	C7	C14	H141	15.1°	30.0°
C6	C7	C14	H142	108.5°	150.0°
H6	C6	C5	H5	0.7°	0.0°
C15	C14	H141	H142	116.9°	120.0°
C14	C15	C16	H151	120.0°	120.0°
C14	C15	C16	H152	118.9°	120.0°
C14	C15	H151	H152	118.9°	120.0°
C14	C15	C16	C17	59.0°	180.0°
C14	C15	C16	H161	61.0°	60.0°
C14	C15	C16	H162	171.3°	60.0°
H141	C14	C15	C16	158.3°	60.0°
H141	C14	C15	H151	81.7°	180.0°
H141	C14	C15	H152	39.4°	60.0°
H142	C14	C15	C16	34.7°	60.0°
H142	C14	C15	H151	154.7°	60.0°
H142	C14	C15	H152	84.2°	180.0°
C16	C15	H151	H152	119.0°	120.0°
C15	C16	C17	H161	120.0°	120.0°
C15	C16	C17	H162	112.2°	120.0°
C15	C16	H161	H162	113.9°	120.0°
C15	C16	C17	C19	179.4°	90.1°
C15	C16	C17	N2	0.1°	90.3°
H151	C15	C16	C17	179.1°	60.0°
H151	C15	C16	H161	59.0°	180.0°
H151	C15	C16	H162	68.7°	60.0°
H152	C15	C16	C17	59.8°	60.0°
H152	C15	C16	H161	179.9°	60.0°
H152	C15	C16	H162	52.4°	180.0°
C17	C16	H161	H162	113.9°	120.0°
C16	C17	C19	N2	179.5°	179.7°
C16	C17	C19	O3	179.7°	180.0°
C16	C17	C19	C26	0.8°	0.0°
C16	C17	N2	C18	179.6°	179.8°
H161	C16	C17	C19	59.4°	30.0°
H161	C16	C17	N2	120.1°	149.7°
H162	C16	C17	C19	68.4°	150.0°
H162	C16	C17	N2	112.2°	29.7°
C17	C19	O3	C26	179.6°	180.0°
C17	C19	C26	H261	110.5°	90.0°
C17	C19	C26	H262	129.4°	150.0°
C17	C19	C26	H263	9.4°	30.0°
C17	C19	O3	C18	0.2°	0.0°
C19	C17	N2	C18	0.0°	0.5°
N2	C17	C19	O3	0.2°	0.3°
N2	C17	C19	C26	179.7°	179.7°
C17	N2	C18	O3	0.1°	0.5°
C17	N2	C18	C20	179.9°	179.8°
O3	C19	C26	H261	68.9°	90.0°
O3	C19	C26	H262	51.1°	30.0°
O3	C19	C26	H263	171.1°	150.0°
C19	O3	C18	C20	180.0°	180.0°
C19	O3	C18	N2	0.2°	0.3°
C19	C26	H261	H262	120.0°	120.0°
C19	C26	H261	H263	120.0°	120.0°
C19	C26	H262	H263	120.0°	120.0°
C26	C19	O3	C18	179.8°	180.0°
H261	C26	H262	H263	120.0°	120.0°
O3	C18	C20	N2	179.8°	179.7°
O3	C18	C20	C21	0.0°	0.0°
O3	C18	C20	C25	179.9°	179.7°
C18	C20	C21	C25	179.9°	179.7°
C18	C20	C25	C24	180.0°	180.0°
C18	C20	C25	H25	0.0°	0.1°
C18	C20	C21	C22	179.9°	179.8°
C18	C20	C21	H21	0.1°	0.0°
N2	C18	C20	C21	179.8°	179.7°
N2	C18	C20	C25	0.3°	0.6°
C21	C20	C25	C24	0.1°	0.3°
C21	C20	C25	H25	179.9°	179.8°
C20	C21	C22	C23	0.3°	0.5°
C20	C21	C22	H21	180.0°	179.8°
C20	C21	C22	H22	179.8°	179.7°
C20	C25	C24	H25	180.0°	179.9°
C20	C25	C24	C23	0.2°	0.1°
C20	C25	C24	H24	179.9°	180.0°
C25	C20	C21	C22	0.2°	0.5°
C25	C20	C21	H21	179.8°	179.7°
C25	C24	C23	H24	180.0°	180.0°
C25	C24	C23	C22	0.2°	0.1°
C25	C24	C23	H23	179.8°	180.0°
H25	C25	C24	C23	179.9°	180.0°
H25	C25	C24	H24	0.1°	0.1°
C24	C23	C22	H23	180.0°	179.9°
C24	C23	C22	C21	0.3°	0.3°
C24	C23	C22	H22	179.7°	180.0°
H24	C24	C23	C22	179.8°	180.0°
H24	C24	C23	H23	0.2°	0.1°
C23	C22	C21	H22	180.0°	179.7°
C23	C22	C21	H21	179.7°	179.7°
H23	C23	C22	C21	179.7°	179.8°
H23	C23	C22	H22	0.3°	0.1°
H22	C22	C21	H21	0.3°	0.0°

Definition date:	2007-06-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB