I28

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	C29	sing	1.53Å	1.53Å
C28	O27	sing	1.45Å	1.46Å
O27	C2	sing	1.35Å	1.36Å
C2	O1	doub	1.22Å	1.21Å
C2	C3	sing	1.47Å	1.47Å
C18	N19	sing	1.47Å	1.49Å
C18	C17	sing	1.51Å	1.51Å
C7	C8	doub	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C20	C21	sing	1.53Å	1.53Å
C20	N19	sing	1.47Å	1.47Å
C8	C9	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.40Å	1.40Å	Aromatic
C3	C4	doub	1.39Å	1.39Å	Aromatic
C3	C26	sing	1.48Å	1.49Å	Aromatic
C9	C10	doub	1.38Å	1.38Å	Aromatic
C5	C10	sing	1.40Å	1.40Å	Aromatic
C5	C4	sing	1.47Å	1.48Å
C21	C22	sing	1.53Å	1.53Å
N19	C25	sing	1.47Å	1.47Å
C4	O11	sing	1.34Å	1.33Å	Aromatic
C17	C26	doub	1.39Å	1.40Å	Aromatic
C17	C15	sing	1.38Å	1.39Å	Aromatic
C26	C12	sing	1.40Å	1.40Å	Aromatic
O16	C15	sing	1.36Å	1.35Å
C15	C14	doub	1.39Å	1.38Å	Aromatic
O11	C12	sing	1.35Å	1.34Å	Aromatic
C12	C13	doub	1.39Å	1.39Å	Aromatic
C22	C23	sing	1.53Å	1.54Å
C22	C24	sing	1.53Å	1.54Å
C25	C24	sing	1.53Å	1.54Å
C14	C13	sing	1.38Å	1.37Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
O16	H8	sing	0.97Å	0.95Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C20	H12	sing	1.09Å	1.10Å
C20	H13	sing	1.09Å	1.10Å
C21	H14	sing	1.09Å	1.10Å
C21	H15	sing	1.09Å	1.10Å
C22	H16	sing	1.09Å	1.10Å
C23	H17	sing	1.09Å	1.10Å
C23	H18	sing	1.09Å	1.10Å
C23	H19	sing	1.09Å	1.10Å
C24	H20	sing	1.09Å	1.10Å
C24	H21	sing	1.09Å	1.10Å
C25	H22	sing	1.09Å	1.10Å
C25	H23	sing	1.09Å	1.10Å
C28	H24	sing	1.09Å	1.10Å
C28	H25	sing	1.09Å	1.10Å
C29	H26	sing	1.09Å	1.10Å
C29	H27	sing	1.09Å	1.10Å
C29	H28	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C29	C28	O27	109.5°	109.4°
C29	C28	H24	109.5°	109.5°
C29	C28	H25	109.4°	109.5°
C28	C29	H26	109.5°	109.5°
C28	C29	H27	109.4°	109.5°
C28	C29	H28	109.5°	109.4°
C28	O27	C2	117.8°	117.0°
O27	C28	H24	109.4°	109.5°
O27	C28	H25	109.5°	109.4°
O27	C2	O1	118.9°	120.0°
O27	C2	C3	119.9°	120.0°
O1	C2	C3	121.1°	120.0°
C2	C3	C4	125.6°	127.3°
C2	C3	C26	129.1°	127.3°
N19	C18	C17	117.5°	109.5°
C18	N19	C20	113.4°	111.0°
C18	N19	C25	119.2°	111.0°
N19	C18	H9	107.4°	109.5°
N19	C18	H10	107.4°	109.5°
C18	C17	C26	121.6°	120.2°
C18	C17	C15	118.8°	120.2°
C17	C18	H9	107.4°	109.4°
C17	C18	H10	107.4°	109.5°
C8	C7	C6	119.7°	120.2°
C7	C8	C9	120.7°	120.3°
C8	C7	H2	120.2°	119.9°
C7	C8	H3	119.7°	119.9°
C7	C6	C5	120.3°	119.9°
C7	C6	H1	119.8°	120.1°
C6	C7	H2	120.1°	119.9°
C21	C20	N19	109.5°	109.5°
C20	C21	C22	108.3°	109.2°
C21	C20	H12	109.5°	109.5°
C21	C20	H13	109.5°	109.5°
C20	C21	H14	109.8°	109.5°
C20	C21	H15	109.8°	109.5°
C20	N19	C25	113.9°	111.1°
N19	C20	H12	109.5°	109.5°
N19	C20	H13	109.5°	109.4°
C8	C9	C10	120.2°	120.2°
C9	C8	H3	119.7°	119.8°
C8	C9	H4	119.9°	119.9°
C6	C5	C10	119.2°	119.6°
C6	C5	C4	123.4°	120.2°
C5	C6	H1	119.9°	120.1°
C4	C3	C26	105.2°	105.5°
C3	C4	C5	129.4°	125.3°
C3	C4	O11	109.1°	109.3°
C3	C26	C17	136.7°	133.9°
C3	C26	C12	105.1°	105.7°
C9	C10	C5	119.9°	119.8°
C10	C9	H4	119.9°	119.9°
C9	C10	H5	120.0°	120.1°
C10	C5	C4	117.4°	120.2°
C5	C10	H5	120.1°	120.1°
C5	C4	O11	121.5°	125.4°
C21	C22	C23	110.0°	109.5°
C21	C22	C24	110.7°	109.2°
C22	C21	H14	109.8°	109.6°
C22	C21	H15	109.8°	109.5°
C21	C22	H16	108.1°	109.5°
N19	C25	C24	113.3°	109.5°
N19	C25	H22	108.5°	109.4°
N19	C25	H23	108.5°	109.5°
C4	O11	C12	112.2°	111.5°
C26	C17	C15	119.5°	119.6°
C17	C26	C12	118.3°	120.4°
C17	C15	O16	120.0°	120.0°
C17	C15	C14	121.3°	120.0°
C26	C12	O11	108.4°	108.1°
C26	C12	C13	121.0°	119.2°
O16	C15	C14	118.7°	120.0°
C15	O16	H8	109.5°	114.0°
C15	C14	C13	119.4°	120.6°
C15	C14	H7	120.3°	119.6°
O11	C12	C13	130.6°	132.7°
C12	C13	C14	120.5°	120.1°
C12	C13	H6	119.7°	119.9°
C23	C22	C24	112.0°	109.5°
C23	C22	H16	108.0°	109.5°
C22	C23	H17	109.5°	109.5°
C22	C23	H18	109.5°	109.5°
C22	C23	H19	109.5°	109.5°
C22	C24	C25	112.0°	109.2°
C24	C22	H16	107.9°	109.6°
C22	C24	H20	108.8°	109.5°
C22	C24	H21	108.8°	109.5°
C25	C24	H20	108.8°	109.6°
C25	C24	H21	108.9°	109.6°
C24	C25	H22	108.5°	109.4°
C24	C25	H23	108.5°	109.5°
C14	C13	H6	119.7°	119.9°
C13	C14	H7	120.3°	119.7°
H9	C18	H10	109.5°	109.5°
H12	C20	H13	109.5°	109.4°
H14	C21	H15	109.4°	109.5°
H17	C23	H18	109.5°	109.4°
H17	C23	H19	109.4°	109.5°
H18	C23	H19	109.5°	109.5°
H20	C24	H21	109.5°	109.5°
H22	C25	H23	109.5°	109.5°
H24	C28	H25	109.5°	109.5°
H26	C29	H27	109.5°	109.5°
H26	C29	H28	109.4°	109.5°
H27	C29	H28	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C29	C28	O27	H24	120.0°	120.0°
C29	C28	O27	H25	120.0°	120.0°
C29	C28	O27	C2	95.1°	180.0°
C29	C28	H24	H25	120.0°	120.0°
C28	C29	H26	H27	120.0°	120.0°
C28	C29	H26	H28	120.0°	120.0°
C28	C29	H27	H28	120.0°	120.0°
C28	O27	C2	O1	13.6°	0.0°
C28	O27	C2	C3	163.5°	179.7°
O27	C28	H24	H25	120.0°	120.0°
O27	C28	C29	H26	180.0°	60.0°
O27	C28	C29	H27	60.0°	60.0°
O27	C28	C29	H28	60.0°	180.0°
O27	C2	O1	C3	177.1°	179.7°
O27	C2	C3	C4	45.9°	84.2°
O27	C2	C3	C26	132.2°	95.5°
C2	O27	C28	H24	24.9°	60.0°
C2	O27	C28	H25	144.9°	60.0°
O1	C2	C3	C4	137.0°	95.5°
O1	C2	C3	C26	44.8°	84.8°
C2	C3	C4	C26	178.5°	179.7°
C2	C3	C4	C5	1.4°	0.0°
C2	C3	C4	O11	178.9°	180.0°
C2	C3	C26	C17	2.5°	0.7°
C2	C3	C26	C12	178.7°	179.9°
N19	C18	C17	H9	121.2°	120.0°
N19	C18	C17	H10	121.1°	120.0°
C18	N19	C20	C21	160.4°	174.2°
C18	N19	C20	C25	140.5°	124.0°
N19	C18	C17	C26	108.8°	83.9°
N19	C18	C17	C15	73.4°	96.6°
C18	N19	C25	C24	171.4°	174.1°
N19	C18	H9	H10	116.4°	120.1°
C18	N19	C20	H12	40.4°	65.8°
C18	N19	C20	H13	79.7°	54.2°
C18	N19	C25	H22	50.9°	54.2°
C18	N19	C25	H23	68.0°	65.8°
C17	C18	N19	C20	135.3°	65.5°
C18	C17	C26	C3	2.1°	0.1°
C17	C18	N19	C25	3.0°	170.3°
C18	C17	C26	C15	177.8°	179.5°
C18	C17	C26	C12	179.2°	179.0°
C18	C17	C15	O16	0.9°	0.8°
C18	C17	C15	C14	179.7°	179.3°
C17	C18	H9	H10	116.4°	119.9°
C8	C7	C6	H2	180.0°	179.9°
C7	C8	C9	H3	180.0°	179.9°
C8	C7	C6	C5	1.0°	0.1°
C7	C8	C9	C10	0.7°	0.1°
C8	C7	C6	H1	179.0°	180.0°
C7	C8	C9	H4	179.3°	179.9°
C6	C7	C8	C9	0.2°	0.1°
C7	C6	C5	H1	180.0°	180.0°
C7	C6	C5	C10	1.6°	0.0°
C7	C6	C5	C4	179.8°	179.7°
C6	C7	C8	H3	179.8°	180.0°
C21	C20	N19	H12	120.0°	120.1°
C21	C20	N19	H13	120.0°	120.0°
C20	C21	C22	H14	119.8°	119.9°
C20	C21	C22	H15	119.8°	119.9°
C21	C20	N19	C25	59.1°	61.8°
C20	C21	C22	C23	176.5°	177.6°
C20	C21	C22	C24	59.2°	57.6°
C21	C20	H12	H13	120.0°	120.0°
C20	C21	H14	H15	120.5°	120.1°
C20	C21	C22	H16	58.8°	62.4°
N19	C20	C21	C22	62.7°	59.2°
C20	N19	C25	C24	50.5°	61.8°
C20	N19	C18	H9	103.6°	174.5°
C20	N19	C18	H10	14.1°	54.5°
N19	C20	H12	H13	120.0°	119.9°
N19	C20	C21	H14	177.4°	179.2°
N19	C20	C21	H15	57.1°	60.7°
C20	N19	C25	H22	171.1°	178.3°
C20	N19	C25	H23	70.1°	58.3°
C8	C9	C10	H4	180.0°	180.0°
C8	C9	C10	C5	0.1°	0.0°
C9	C8	C7	H2	179.8°	180.0°
C8	C9	C10	H5	179.9°	179.6°
C6	C5	C4	C3	28.5°	0.3°
C6	C5	C10	C9	1.0°	0.0°
C6	C5	C10	C4	178.3°	179.7°
C6	C5	C4	O11	151.3°	179.7°
C5	C6	C7	H2	179.0°	180.0°
C6	C5	C10	H5	179.0°	179.7°
C3	C4	C5	C10	153.3°	180.0°
C3	C4	C5	O11	179.7°	180.0°
C4	C3	C26	C17	179.1°	179.5°
C4	C3	C26	C12	0.3°	0.4°
C3	C4	O11	C12	0.4°	0.0°
C26	C3	C4	C5	179.8°	179.8°
C26	C3	C4	O11	0.4°	0.2°
C3	C26	C17	C12	178.7°	179.0°
C3	C26	C17	C15	179.9°	179.5°
C3	C26	C12	O11	0.1°	0.4°
C3	C26	C12	C13	179.4°	179.8°
C9	C10	C5	H5	180.0°	179.7°
C9	C10	C5	C4	179.3°	179.7°
C10	C9	C8	H3	179.3°	179.9°
C10	C5	C4	O11	27.0°	0.0°
C10	C5	C6	H1	178.4°	180.0°
C5	C10	C9	H4	179.9°	180.0°
C5	C4	O11	C12	179.8°	180.0°
C4	C5	C6	H1	0.2°	0.3°
C4	C5	C10	H5	0.6°	0.1°
C21	C22	C23	C24	123.6°	119.7°
C21	C22	C23	H16	117.8°	120.1°
C21	C22	C24	H16	118.1°	120.0°
C21	C22	C24	C25	50.8°	57.7°
C22	C21	C20	H12	177.3°	60.9°
C22	C21	C20	H13	57.3°	179.2°
C22	C21	H14	H15	120.5°	120.2°
C21	C22	C23	H17	180.0°	60.1°
C21	C22	C23	H18	60.0°	180.0°
C21	C22	C23	H19	60.0°	60.0°
C21	C22	C24	H20	171.2°	177.6°
C21	C22	C24	H21	69.6°	62.3°
N19	C25	C24	C22	45.5°	59.2°
N19	C25	C24	H22	120.6°	120.0°
N19	C25	C24	H23	120.6°	120.1°
C25	N19	C18	H9	118.1°	50.4°
C25	N19	C18	H10	124.1°	69.7°
C25	N19	C20	H12	179.1°	58.3°
C25	N19	C20	H13	60.9°	178.2°
N19	C25	C24	H20	165.9°	179.1°
N19	C25	C24	H21	74.8°	60.7°
N19	C25	H22	H23	118.3°	120.0°
C4	O11	C12	C26	0.2°	0.3°
C4	O11	C12	C13	179.6°	180.0°
C26	C17	C15	O16	178.7°	179.7°
C26	C17	C15	C14	1.8°	0.2°
C17	C26	C12	O11	179.2°	179.7°
C17	C26	C12	C13	0.3°	0.6°
C26	C17	C18	H9	130.0°	36.1°
C26	C17	C18	H10	12.3°	156.0°
C15	C17	C26	C12	1.4°	0.5°
C17	C15	O16	C14	179.4°	179.9°
C17	C15	C14	C13	1.1°	0.0°
C17	C15	C14	H7	178.9°	180.0°
C17	C15	O16	H8	180.0°	90.0°
C15	C17	C18	H9	47.7°	143.4°
C15	C17	C18	H10	165.4°	23.4°
C26	C12	O11	C13	179.4°	179.7°
C26	C12	C13	C14	0.4°	0.3°
C26	C12	C13	H6	179.6°	179.7°
O16	C15	C14	C13	179.5°	180.0°
O16	C15	C14	H7	0.5°	0.1°
C15	C14	C13	C12	0.0°	0.0°
C15	C14	C13	H7	180.0°	179.9°
C15	C14	C13	H6	180.0°	180.0°
C14	C15	O16	H8	0.6°	90.0°
O11	C12	C13	C14	179.7°	180.0°
O11	C12	C13	H6	0.3°	0.0°
C12	C13	C14	H6	180.0°	180.0°
C12	C13	C14	H7	180.0°	179.9°
C23	C22	C24	H16	118.7°	120.1°
C23	C22	C24	C25	174.0°	177.6°
C23	C22	C21	H14	56.6°	62.5°
C23	C22	C21	H15	63.7°	57.7°
C22	C23	H17	H18	120.0°	120.0°
C22	C23	H17	H19	120.0°	120.1°
C22	C23	H18	H19	120.0°	120.1°
C23	C22	C24	H20	65.6°	62.5°
C23	C22	C24	H21	53.6°	57.6°
C22	C24	C25	H20	120.4°	119.9°
C22	C24	C25	H21	120.4°	119.9°
C24	C22	C21	H14	179.1°	177.6°
C24	C22	C21	H15	60.6°	62.2°
C24	C22	C23	H17	56.4°	59.7°
C24	C22	C23	H18	176.5°	60.3°
C24	C22	C23	H19	63.6°	179.7°
C22	C24	H20	H21	118.8°	120.0°
C22	C24	C25	H22	166.1°	179.2°
C22	C24	C25	H23	75.0°	60.9°
C25	C24	C22	H16	67.3°	62.3°
C25	C24	H20	H21	118.9°	120.2°
C24	C25	H22	H23	118.2°	120.0°
H1	C6	C7	H2	1.0°	0.1°
H2	C7	C8	H3	0.2°	0.1°
H3	C8	C9	H4	0.7°	0.1°
H4	C9	C10	H5	0.1°	0.4°
H6	C13	C14	H7	0.0°	0.0°
H12	C20	C21	H14	57.4°	59.1°
H12	C20	C21	H15	62.9°	179.2°
H13	C20	C21	H14	62.6°	60.8°
H13	C20	C21	H15	177.1°	59.3°
H14	C21	C22	H16	61.1°	57.5°
H15	C21	C22	H16	178.6°	177.7°
H16	C22	C23	H17	62.2°	179.8°
H16	C22	C23	H18	57.8°	59.9°
H16	C22	C23	H19	177.7°	60.1°
H16	C22	C24	H20	53.1°	57.6°
H16	C22	C24	H21	172.3°	177.7°
H17	C23	H18	H19	120.0°	120.0°
H20	C24	C25	H22	73.5°	60.9°
H20	C24	C25	H23	45.3°	59.0°
H21	C24	C25	H22	45.7°	59.2°
H21	C24	C25	H23	164.6°	179.2°
H24	C28	C29	H26	60.0°	180.0°
H24	C28	C29	H27	60.0°	60.0°
H24	C28	C29	H28	180.0°	60.0°
H25	C28	C29	H26	60.0°	60.0°
H25	C28	C29	H27	180.0°	180.0°
H25	C28	C29	H28	60.0°	60.0°
H26	C29	H27	H28	119.9°	120.0°

Release date:	2017-07-05
Definition date:	2014-01-17
Last modified:	2017-06-30
Release status:	REL
Processing site:	RCSB
Derived from:	4O9N