N87

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	O1	doub	1.21Å	1.23Å
C4	C2	sing	1.51Å	1.51Å
C2	O3	sing	1.34Å	1.25Å
O3	HO3	sing	0.97Å	0.95Å
C12	C4	sing	1.53Å	1.52Å
C6	C4	sing	1.50Å	1.51Å
O5	C4	sing	1.43Å	1.43Å
O5	HO5	sing	0.97Å	0.95Å
C7	C6	doub	1.31Å	1.33Å
C6	H6	sing	1.08Å	1.08Å
C8	C7	sing	1.50Å	1.50Å
C13	C7	sing	1.48Å	1.49Å
O9	C8	sing	1.43Å	1.43Å
C8	C10	sing	1.53Å	1.51Å
C8	H8	sing	1.09Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
O11	C10	sing	1.43Å	1.42Å
C10	C12	sing	1.53Å	1.53Å
C10	H10	sing	1.09Å	1.10Å
O11	HO11	sing	0.97Å	0.95Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C14	C13	doub	1.39Å	1.40Å	Aromatic
C13	C25	sing	1.40Å	1.40Å	Aromatic
C15	C14	sing	1.39Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C16	C15	sing	1.48Å	1.50Å
C15	C23	doub	1.40Å	1.38Å	Aromatic
O26	C16	doub	1.22Å	1.21Å
C16	C17	sing	1.48Å	1.49Å
C18	C17	doub	1.40Å	1.40Å	Aromatic
C17	C22	sing	1.40Å	1.40Å	Aromatic
C18	C19	sing	1.38Å	1.40Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	C20	doub	1.38Å	1.40Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C20	C21	sing	1.38Å	1.41Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C22	C21	doub	1.38Å	1.39Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	H22	sing	1.08Å	1.08Å
C23	C24	sing	1.38Å	1.40Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C24	C25	doub	1.38Å	1.40Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C25	H25	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	C4	122.0°	120.0°
O1	C2	O3	120.2°	120.0°
C4	C2	O3	117.8°	120.0°
C2	C4	C12	118.2°	109.4°
C2	C4	C6	104.3°	109.3°
C2	C4	O5	109.9°	109.4°
C2	O3	HO3	109.5°	117.0°
C12	C4	C6	108.6°	110.1°
C12	C4	O5	106.9°	109.4°
C4	C12	C10	107.2°	108.5°
C4	C12	H12	110.3°	109.4°
C4	C12	H12A	110.2°	109.7°
C6	C4	O5	108.7°	109.3°
C4	C6	C7	123.5°	123.8°
C4	C6	H6	118.2°	118.1°
C4	O5	HO5	109.5°	114.0°
C7	C6	H6	118.2°	118.1°
C6	C7	C8	122.5°	123.9°
C6	C7	C13	114.8°	118.0°
C8	C7	C13	122.6°	118.1°
C7	C8	O9	109.1°	109.4°
C7	C8	C10	112.6°	110.1°
C7	C8	H8	107.2°	109.4°
C7	C13	C14	118.5°	120.1°
C7	C13	C25	121.2°	120.1°
O9	C8	C10	108.2°	109.3°
O9	C8	H8	111.7°	109.3°
C8	O9	HO9	109.5°	114.0°
C10	C8	H8	108.1°	109.3°
C8	C10	O11	107.9°	109.6°
C8	C10	C12	112.8°	108.4°
C8	C10	H10	109.0°	109.6°
O11	C10	C12	111.5°	109.7°
O11	C10	H10	110.4°	109.8°
C10	O11	HO11	109.5°	114.0°
C12	C10	H10	105.2°	109.7°
C10	C12	H12	110.2°	109.7°
C10	C12	H12A	110.2°	109.6°
H12	C12	H12A	108.7°	109.8°
C14	C13	C25	120.2°	119.8°
C13	C14	C15	121.0°	119.7°
C13	C14	H14	119.5°	120.1°
C13	C25	C24	117.8°	120.2°
C13	C25	H25	121.1°	119.9°
C15	C14	H14	119.5°	120.1°
C14	C15	C16	116.5°	120.1°
C14	C15	C23	119.9°	119.8°
C16	C15	C23	123.6°	120.1°
C15	C16	O26	118.5°	120.0°
C15	C16	C17	123.1°	120.0°
C15	C23	C24	119.3°	120.1°
C15	C23	H23	120.4°	120.0°
O26	C16	C17	118.2°	120.0°
C16	C17	C18	118.9°	120.2°
C16	C17	C22	120.7°	120.1°
C18	C17	C22	120.3°	119.7°
C17	C18	C19	120.4°	119.9°
C17	C18	H18	119.8°	120.1°
C17	C22	C21	120.6°	119.8°
C17	C22	H22	119.6°	120.1°
C19	C18	H18	119.8°	120.1°
C18	C19	C20	118.2°	120.1°
C18	C19	H19	120.9°	119.9°
C20	C19	H19	120.9°	119.9°
C19	C20	C21	122.3°	120.4°
C19	C20	H20	118.8°	119.8°
C21	C20	H20	118.9°	119.8°
C20	C21	C22	118.1°	120.1°
C20	C21	H21	120.9°	119.9°
C22	C21	H21	120.9°	119.9°
C21	C22	H22	119.7°	120.1°
C24	C23	H23	120.4°	119.9°
C23	C24	C25	121.8°	120.3°
C23	C24	H24	119.1°	119.9°
C25	C24	H24	119.1°	119.8°
C24	C25	H25	121.1°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	C4	O3	178.4°	179.7°
O1	C2	O3	HO3	0.0°	0.1°
O1	C2	C4	C12	22.6°	25.2°
O1	C2	C4	C6	98.1°	95.3°
O1	C2	C4	O5	145.6°	145.0°
C4	C2	O3	HO3	178.5°	179.7°
C2	C4	C12	C6	118.5°	120.1°
C2	C4	C12	O5	124.5°	119.7°
C2	C4	C6	O5	117.2°	119.7°
C2	C4	O5	HO5	180.0°	59.9°
C2	C4	C6	C7	156.2°	137.3°
C2	C4	C6	H6	23.8°	42.5°
C2	C4	C12	C10	175.2°	170.0°
C2	C4	C12	H12	64.8°	70.4°
C2	C4	C12	H12A	55.3°	50.2°
O3	C2	C4	C12	159.0°	154.4°
O3	C2	C4	C6	80.4°	85.0°
O3	C2	C4	O5	36.0°	34.7°
C12	C4	C6	O5	115.9°	120.2°
C12	C4	O5	HO5	50.6°	179.7°
C12	C4	C6	C7	29.3°	17.2°
C12	C4	C6	H6	150.7°	162.7°
C4	C12	C10	C8	63.6°	68.1°
C4	C12	C10	O11	174.7°	172.3°
C4	C12	C10	H12	120.0°	119.5°
C4	C12	C10	H12A	120.0°	119.8°
C4	C12	C10	H10	55.0°	51.6°
C4	C12	H12	H12A	121.0°	120.5°
C6	C4	O5	HO5	66.4°	59.7°
C4	C6	C7	H6	180.0°	179.9°
C4	C6	C7	C8	2.8°	0.4°
C4	C6	C7	C13	179.8°	179.6°
C6	C4	C12	C10	56.8°	49.8°
C6	C4	C12	H12	176.8°	169.5°
C6	C4	C12	H12A	63.2°	69.9°
O5	C4	C6	C7	86.6°	103.0°
O5	C4	C6	H6	93.4°	77.1°
O5	C4	C12	C10	60.3°	70.3°
O5	C4	C12	H12	59.7°	49.4°
O5	C4	C12	H12A	179.7°	169.9°
C6	C7	C8	C13	176.7°	180.0°
C6	C7	C8	O9	126.3°	137.3°
C6	C7	C8	C10	6.1°	17.2°
C6	C7	C8	H8	112.7°	103.0°
C6	C7	C13	C14	127.5°	64.8°
C6	C7	C13	C25	48.9°	115.0°
H6	C6	C7	C8	177.2°	179.5°
H6	C6	C7	C13	0.3°	0.5°
C7	C8	O9	C10	122.9°	120.7°
C7	C8	O9	H8	118.3°	119.7°
C7	C8	C10	H8	118.2°	120.2°
C7	C8	O9	HO9	180.0°	60.0°
C7	C8	C10	O11	160.5°	169.4°
C7	C8	C10	C12	36.9°	49.7°
C7	C8	C10	H10	79.6°	70.0°
C8	C7	C13	C14	49.5°	115.2°
C8	C7	C13	C25	134.1°	65.0°
C13	C7	C8	O9	57.0°	42.6°
C13	C7	C8	C10	177.2°	162.8°
C13	C7	C8	H8	64.1°	77.0°
C7	C13	C14	C25	176.5°	179.8°
C7	C13	C14	C15	177.6°	179.9°
C7	C13	C14	H14	2.4°	0.0°
C7	C13	C25	C24	177.9°	179.7°
C7	C13	C25	H25	2.1°	0.0°
O9	C8	C10	H8	121.1°	119.6°
O9	C8	C10	O11	78.8°	70.4°
O9	C8	C10	C12	157.6°	169.9°
O9	C8	C10	H10	41.1°	50.2°
C10	C8	O9	HO9	57.1°	179.3°
C8	C10	O11	C12	124.4°	118.9°
C8	C10	O11	H10	119.0°	120.5°
C8	C10	C12	H10	118.7°	119.7°
C8	C10	O11	HO11	180.0°	60.0°
C8	C10	C12	H12	176.3°	172.4°
C8	C10	C12	H12A	56.4°	51.8°
H8	C8	O9	HO9	61.7°	59.7°
H8	C8	C10	O11	42.3°	49.2°
H8	C8	C10	C12	81.3°	70.5°
H8	C8	C10	H10	162.2°	169.8°
O11	C10	C12	H10	119.7°	120.7°
O11	C10	C12	H12	54.7°	52.8°
O11	C10	C12	H12A	65.3°	67.9°
C12	C10	O11	HO11	55.6°	178.9°
C10	C12	H12	H12A	120.9°	120.6°
H10	C10	O11	HO11	61.0°	60.5°
H10	C10	C12	H12	65.0°	67.9°
H10	C10	C12	H12A	175.0°	171.4°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	C16	179.5°	180.0°
C13	C14	C15	C23	0.6°	0.0°
C14	C13	C25	C24	1.5°	0.6°
C14	C13	C25	H25	178.5°	179.7°
C25	C13	C14	C15	1.1°	0.3°
C25	C13	C14	H14	178.9°	179.8°
C13	C25	C24	C23	1.4°	0.6°
C13	C25	C24	H25	180.0°	179.7°
C13	C25	C24	H24	178.6°	179.7°
C14	C15	C16	C23	178.9°	179.9°
C14	C15	C16	O26	35.5°	7.5°
C14	C15	C16	C17	139.8°	172.5°
C14	C15	C23	C24	0.4°	0.1°
C14	C15	C23	H23	179.5°	180.0°
H14	C14	C15	C16	0.5°	0.1°
H14	C14	C15	C23	179.4°	180.0°
C15	C16	O26	C17	175.6°	180.0°
C15	C16	C17	C18	176.4°	34.2°
C15	C16	C17	C22	5.1°	146.1°
C16	C15	C23	C24	179.3°	180.0°
C16	C15	C23	H23	0.7°	0.1°
C23	C15	C16	O26	145.6°	172.4°
C23	C15	C16	C17	39.1°	7.6°
C15	C23	C24	H23	180.0°	179.9°
C15	C23	C24	C25	0.9°	0.3°
C15	C23	C24	H24	179.1°	180.0°
O26	C16	C17	C18	8.3°	145.8°
O26	C16	C17	C22	170.2°	33.9°
C16	C17	C18	C22	178.5°	179.7°
C16	C17	C18	C19	178.9°	180.0°
C16	C17	C18	H18	1.1°	0.0°
C16	C17	C22	C21	178.8°	179.8°
C16	C17	C22	H22	1.2°	0.0°
C17	C18	C19	H18	180.0°	180.0°
C17	C18	C19	C20	0.2°	0.0°
C17	C18	C19	H19	179.8°	180.0°
C18	C17	C22	C21	0.3°	0.5°
C18	C17	C22	H22	179.7°	179.7°
C22	C17	C18	C19	0.3°	0.2°
C22	C17	C18	H18	179.7°	179.7°
C17	C22	C21	C20	0.2°	0.4°
C17	C22	C21	H22	180.0°	179.8°
C17	C22	C21	H21	179.8°	179.7°
C18	C19	C20	H19	180.0°	179.9°
C18	C19	C20	C21	0.1°	0.1°
C18	C19	C20	H20	179.9°	180.0°
H18	C18	C19	C20	179.8°	180.0°
H18	C18	C19	H19	0.2°	0.1°
C19	C20	C21	H20	180.0°	179.9°
C19	C20	C21	C22	0.1°	0.2°
C19	C20	C21	H21	179.9°	180.0°
H19	C19	C20	C21	179.9°	180.0°
H19	C19	C20	H20	0.1°	0.0°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	H22	179.8°	179.8°
H20	C20	C21	C22	179.9°	179.8°
H20	C20	C21	H21	0.1°	0.1°
H21	C21	C22	H22	0.2°	0.1°
C23	C24	C25	H24	180.0°	179.7°
C23	C24	C25	H25	178.6°	179.7°
H23	C23	C24	C25	179.1°	179.8°
H23	C23	C24	H24	0.9°	0.0°
H24	C24	C25	H25	1.4°	0.0°

Definition date:	2010-06-03
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3N87