HJZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C2	sing	1.76Å	1.71Å	Aromatic
S1	C5	sing	1.76Å	1.71Å	Aromatic
C6	C2	sing	1.48Å	1.42Å	Aromatic
C2	C3	doub	1.36Å	1.37Å	Aromatic
C3	C4	sing	1.38Å	1.31Å	Aromatic
C3	H3	sing	1.08Å	1.08Å
C5	C4	doub	1.38Å	1.33Å	Aromatic
C4	C8	sing	1.48Å	1.46Å	Aromatic
C7	C5	sing	1.42Å	1.43Å
C20	C6	doub	1.40Å	1.50Å	Aromatic
C6	C16	sing	1.40Å	1.45Å	Aromatic
O9	C7	doub	1.22Å	1.24Å
C7	O10	sing	1.35Å	1.19Å
C8	C11	doub	1.39Å	1.38Å	Aromatic
C8	C15	sing	1.40Å	1.49Å	Aromatic
O10	HO10	sing	0.97Å	0.95Å
C21	C11	sing	1.51Å	1.52Å
C11	C14	sing	1.38Å	1.46Å	Aromatic
C14	C12	doub	1.38Å	1.45Å	Aromatic
C13	C12	sing	1.38Å	1.46Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C15	C13	doub	1.38Å	1.44Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C19	C16	doub	1.38Å	1.43Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C18	C17	doub	1.38Å	1.41Å	Aromatic
C17	C19	sing	1.38Å	1.46Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C18	C20	sing	1.38Å	1.42Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C22	C21	sing	1.53Å	1.50Å
C21	C26	sing	1.53Å	1.62Å
C21	H21	sing	1.09Å	1.10Å
C23	C22	sing	1.53Å	1.59Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C23	C24	sing	1.53Å	1.53Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C27	C24	sing	1.53Å	1.55Å
C24	C25	sing	1.53Å	1.57Å
C24	H24	sing	1.09Å	1.10Å
C25	C26	sing	1.53Å	1.55Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C27	H27B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	S1	C5	91.4°	91.4°
S1	C2	C6	116.8°	125.0°
S1	C2	C3	109.5°	110.0°
S1	C5	C4	109.0°	109.6°
S1	C5	C7	119.1°	125.2°
C6	C2	C3	133.7°	125.0°
C2	C6	C20	124.6°	120.1°
C2	C6	C16	114.3°	120.2°
C2	C3	C4	112.9°	114.8°
C2	C3	H3	123.5°	122.6°
C4	C3	H3	123.5°	122.6°
C3	C4	C5	117.2°	114.2°
C3	C4	C8	120.1°	122.9°
C5	C4	C8	122.7°	122.9°
C4	C5	C7	131.9°	125.2°
C4	C8	C11	125.7°	120.2°
C4	C8	C15	113.2°	120.1°
C5	C7	O9	117.4°	120.0°
C5	C7	O10	131.6°	120.1°
C20	C6	C16	121.1°	119.7°
C6	C20	C18	120.9°	119.8°
C6	C20	H20	119.5°	120.1°
C6	C16	C19	116.0°	119.9°
C6	C16	H16	122.0°	120.1°
O9	C7	O10	111.0°	120.0°
C7	O10	HO10	109.5°	114.1°
C11	C8	C15	121.1°	119.7°
C8	C11	C21	120.0°	120.1°
C8	C11	C14	120.4°	119.9°
C8	C15	C13	118.8°	119.9°
C8	C15	H15	120.6°	120.1°
C21	C11	C14	119.6°	120.0°
C11	C21	C22	115.4°	109.4°
C11	C21	C26	101.5°	109.5°
C11	C21	H21	112.7°	109.4°
C11	C14	C12	120.2°	120.1°
C11	C14	H14	119.9°	120.0°
C14	C12	C13	119.5°	120.3°
C14	C12	H12	120.2°	119.8°
C12	C14	H14	119.9°	120.0°
C13	C12	H12	120.2°	119.9°
C12	C13	C15	119.9°	120.1°
C12	C13	H13	120.0°	119.9°
C15	C13	H13	120.0°	119.9°
C13	C15	H15	120.6°	120.1°
C19	C16	H16	122.0°	120.0°
C16	C19	C17	122.1°	120.1°
C16	C19	H19	118.9°	120.0°
C18	C17	C19	122.3°	120.3°
C18	C17	H17	118.9°	119.9°
C17	C18	C20	117.6°	120.2°
C17	C18	H18	121.2°	119.9°
C19	C17	H17	118.8°	119.8°
C17	C19	H19	118.9°	119.9°
C20	C18	H18	121.2°	119.9°
C18	C20	H20	119.6°	120.1°
C22	C21	C26	114.0°	109.5°
C22	C21	H21	99.8°	109.5°
C21	C22	C23	107.8°	109.5°
C21	C22	H22	110.0°	109.5°
C21	C22	H22A	110.0°	109.5°
C26	C21	H21	114.1°	109.5°
C21	C26	C25	109.4°	109.5°
C21	C26	H26	109.5°	109.5°
C21	C26	H26A	109.5°	109.5°
C23	C22	H22	110.0°	109.5°
C23	C22	H22A	110.0°	109.5°
C22	C23	C24	114.5°	109.5°
C22	C23	H23	107.8°	109.5°
C22	C23	H23A	107.8°	109.5°
H22	C22	H22A	108.9°	109.5°
C24	C23	H23	107.9°	109.5°
C24	C23	H23A	107.9°	109.5°
C23	C24	C27	112.4°	109.5°
C23	C24	C25	115.6°	109.5°
C23	C24	H24	102.9°	109.5°
H23	C23	H23A	111.0°	109.5°
C27	C24	C25	109.7°	109.5°
C27	C24	H24	109.7°	109.5°
C24	C27	H27	109.5°	109.5°
C24	C27	H27A	109.5°	109.5°
C24	C27	H27B	109.5°	109.5°
C25	C24	H24	106.1°	109.5°
C24	C25	C26	109.1°	109.5°
C24	C25	H25	109.6°	109.5°
C24	C25	H25A	109.6°	109.5°
C26	C25	H25	109.6°	109.5°
C26	C25	H25A	109.6°	109.5°
C25	C26	H26	109.5°	109.5°
C25	C26	H26A	109.5°	109.5°
H25	C25	H25A	109.3°	109.4°
H26	C26	H26A	109.5°	109.4°
H27	C27	H27A	109.5°	109.5°
H27	C27	H27B	109.5°	109.5°
H27A	C27	H27B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C2	C6	C3	178.1°	179.9°
S1	C2	C3	C4	1.2°	0.1°
S1	C2	C3	H3	178.8°	179.9°
C2	S1	C5	C4	0.1°	0.0°
C2	S1	C5	C7	178.6°	179.9°
S1	C2	C6	C20	22.9°	179.8°
S1	C2	C6	C16	153.9°	0.0°
C5	S1	C2	C6	177.8°	180.0°
C5	S1	C2	C3	0.7°	0.0°
S1	C5	C4	C3	0.6°	0.1°
S1	C5	C4	C7	178.5°	179.9°
S1	C5	C4	C8	179.0°	180.0°
S1	C5	C7	O9	3.9°	174.5°
S1	C5	C7	O10	175.8°	5.4°
C6	C2	C3	C4	177.0°	180.0°
C6	C2	C3	H3	3.0°	0.1°
C2	C6	C20	C16	176.5°	179.8°
C2	C6	C16	C19	177.8°	180.0°
C2	C6	C16	H16	2.2°	0.0°
C2	C6	C20	C18	178.5°	179.9°
C2	C6	C20	H20	1.4°	0.1°
C2	C3	C4	H3	180.0°	179.8°
C2	C3	C4	C5	1.2°	0.1°
C2	C3	C4	C8	179.6°	180.0°
C3	C2	C6	C20	159.0°	0.2°
C3	C2	C6	C16	24.2°	179.9°
C3	C4	C5	C8	178.4°	179.8°
C3	C4	C5	C7	179.1°	180.0°
C3	C4	C8	C11	89.7°	76.2°
C3	C4	C8	C15	90.7°	104.1°
H3	C3	C4	C5	178.8°	180.0°
H3	C3	C4	C8	0.4°	0.2°
C4	C5	C7	O9	177.7°	5.6°
C4	C5	C7	O10	2.6°	174.5°
C5	C4	C8	C11	91.9°	103.6°
C5	C4	C8	C15	87.6°	76.1°
C8	C4	C5	C7	2.5°	0.2°
C4	C8	C11	C15	179.5°	179.7°
C4	C8	C11	C21	1.8°	0.1°
C4	C8	C11	C14	179.4°	180.0°
C4	C8	C15	C13	179.5°	180.0°
C4	C8	C15	H15	0.4°	0.0°
C5	C7	O9	O10	179.8°	179.9°
C5	C7	O10	HO10	179.8°	179.9°
C20	C6	C16	C19	0.9°	0.3°
C20	C6	C16	H16	179.1°	179.8°
C6	C20	C18	C17	1.6°	0.0°
C6	C20	C18	H20	180.0°	180.0°
C6	C20	C18	H18	178.4°	179.8°
C6	C16	C19	H16	180.0°	180.0°
C6	C16	C19	C17	0.4°	0.0°
C16	C6	C20	C18	2.0°	0.3°
C6	C16	C19	H19	179.6°	180.0°
C16	C6	C20	H20	178.0°	179.7°
O9	C7	O10	HO10	0.0°	0.0°
C8	C11	C21	C14	178.8°	179.9°
C8	C11	C14	C12	0.4°	0.0°
C11	C8	C15	C13	0.0°	0.3°
C8	C11	C14	H14	179.5°	180.0°
C11	C8	C15	H15	180.0°	179.7°
C8	C11	C21	C22	132.5°	124.8°
C8	C11	C21	C26	103.7°	115.1°
C8	C11	C21	H21	18.7°	4.9°
C15	C8	C11	C21	178.7°	179.8°
C15	C8	C11	C14	0.1°	0.3°
C8	C15	C13	C12	0.3°	0.1°
C8	C15	C13	H15	180.0°	180.0°
C8	C15	C13	H13	179.7°	180.0°
C21	C11	C14	C12	178.4°	179.9°
C21	C11	C14	H14	1.6°	0.0°
C11	C21	C22	C26	117.0°	120.1°
C11	C21	C22	H21	121.0°	119.9°
C11	C21	C26	H21	121.5°	120.0°
C11	C21	C22	C23	173.4°	180.0°
C11	C21	C22	H22	66.6°	60.0°
C11	C21	C22	H22A	53.4°	60.1°
C11	C21	C26	C25	173.7°	180.0°
C11	C21	C26	H26	66.2°	60.0°
C11	C21	C26	H26A	53.8°	60.0°
C11	C14	C12	H14	180.0°	179.9°
C11	C14	C12	C13	0.7°	0.4°
C11	C14	C12	H12	179.3°	180.0°
C14	C11	C21	C22	48.7°	55.3°
C14	C11	C21	C26	75.1°	64.8°
C14	C11	C21	H21	162.4°	175.2°
C14	C12	C13	H12	180.0°	179.6°
C14	C12	C13	C15	0.6°	0.4°
C14	C12	C13	H13	179.4°	179.7°
C12	C13	C15	H13	180.0°	179.9°
C13	C12	C14	H14	179.3°	179.7°
C12	C13	C15	H15	179.7°	179.9°
H12	C12	C13	C15	179.4°	180.0°
H12	C12	C13	H13	0.6°	0.1°
H12	C12	C14	H14	0.7°	0.1°
H13	C13	C15	H15	0.2°	0.0°
C16	C19	C17	C18	0.8°	0.3°
C16	C19	C17	H19	180.0°	180.0°
C16	C19	C17	H17	179.2°	180.0°
H16	C16	C19	C17	179.6°	179.9°
H16	C16	C19	H19	0.4°	0.0°
C18	C17	C19	H17	180.0°	179.7°
C17	C18	C20	H18	180.0°	179.8°
C18	C17	C19	H19	179.2°	179.8°
C17	C18	C20	H20	178.3°	179.9°
C19	C17	C18	C20	0.3°	0.3°
C19	C17	C18	H18	179.7°	180.0°
H17	C17	C18	C20	179.7°	180.0°
H17	C17	C18	H18	0.3°	0.3°
H17	C17	C19	H19	0.8°	0.0°
H18	C18	C20	H20	1.7°	0.3°
C22	C21	C26	H21	113.8°	120.0°
C21	C22	C23	H22	120.0°	120.0°
C21	C22	C23	H22A	120.0°	120.0°
C21	C22	H22	H22A	120.7°	120.0°
C21	C22	C23	C24	50.3°	60.0°
C21	C22	C23	H23	69.7°	60.0°
C21	C22	C23	H23A	170.4°	180.0°
C22	C21	C26	C25	61.5°	60.0°
C22	C21	C26	H26	58.5°	60.0°
C22	C21	C26	H26A	178.5°	180.0°
C26	C21	C22	C23	56.4°	60.0°
C26	C21	C22	H22	176.4°	180.0°
C26	C21	C22	H22A	63.6°	60.0°
C21	C26	C25	C24	53.7°	60.0°
C21	C26	C25	H26	120.0°	120.0°
C21	C26	C25	H26A	120.0°	120.0°
C21	C26	C25	H25	66.3°	60.0°
C21	C26	C25	H25A	173.7°	180.0°
C21	C26	H26	H26A	120.0°	120.0°
H21	C21	C22	C23	65.6°	60.0°
H21	C21	C22	H22	54.4°	60.0°
H21	C21	C22	H22A	174.4°	180.0°
H21	C21	C26	C25	52.3°	60.0°
H21	C21	C26	H26	172.3°	180.0°
H21	C21	C26	H26A	67.7°	60.0°
C23	C22	H22	H22A	120.7°	120.0°
C22	C23	C24	H23	120.0°	120.0°
C22	C23	C24	H23A	120.0°	120.0°
C22	C23	H23	H23A	117.9°	120.0°
C22	C23	C24	C27	176.4°	180.0°
C22	C23	C24	C25	49.5°	60.0°
C22	C23	C24	H24	65.6°	60.0°
H22	C22	C23	C24	170.3°	180.0°
H22	C22	C23	H23	50.3°	60.0°
H22	C22	C23	H23A	69.7°	60.0°
H22A	C22	C23	C24	69.7°	60.0°
H22A	C22	C23	H23	170.3°	180.0°
H22A	C22	C23	H23A	50.3°	60.0°
C24	C23	H23	H23A	118.0°	120.0°
C23	C24	C27	C25	130.0°	120.0°
C23	C24	C27	H24	113.8°	120.0°
C23	C24	C25	H24	113.3°	120.0°
C23	C24	C25	C26	51.1°	60.0°
C23	C24	C25	H25	68.9°	60.0°
C23	C24	C25	H25A	171.1°	179.9°
C23	C24	C27	H27	180.0°	60.0°
C23	C24	C27	H27A	60.0°	180.0°
C23	C24	C27	H27B	60.0°	60.0°
H23	C23	C24	C27	56.5°	60.0°
H23	C23	C24	C25	70.5°	60.0°
H23	C23	C24	H24	174.4°	180.0°
H23A	C23	C24	C27	63.5°	60.0°
H23A	C23	C24	C25	169.5°	180.0°
H23A	C23	C24	H24	54.4°	60.0°
C27	C24	C25	H24	118.4°	120.0°
C27	C24	C25	C26	179.4°	180.0°
C27	C24	C25	H25	59.4°	59.9°
C27	C24	C25	H25A	60.6°	60.0°
C24	C27	H27	H27A	120.0°	120.1°
C24	C27	H27	H27B	120.0°	120.0°
C24	C27	H27A	H27B	120.0°	120.0°
C24	C25	C26	H25	120.0°	120.1°
C24	C25	C26	H25A	120.0°	120.0°
C24	C25	H25	H25A	120.2°	119.9°
C24	C25	C26	H26	66.3°	60.0°
C24	C25	C26	H26A	173.7°	180.0°
C25	C24	C27	H27	50.0°	180.0°
C25	C24	C27	H27A	70.0°	60.0°
C25	C24	C27	H27B	170.0°	60.0°
H24	C24	C25	C26	62.2°	60.0°
H24	C24	C25	H25	177.8°	179.9°
H24	C24	C25	H25A	57.8°	60.0°
H24	C24	C27	H27	66.2°	60.0°
H24	C24	C27	H27A	173.9°	60.0°
H24	C24	C27	H27B	53.8°	180.0°
C26	C25	H25	H25A	120.1°	120.0°
C25	C26	H26	H26A	120.0°	120.0°
H25	C25	C26	H26	173.7°	180.0°
H25	C25	C26	H26A	53.7°	60.0°
H25A	C25	C26	H26	53.7°	60.0°
H25A	C25	C26	H26A	66.3°	60.0°
H27	C27	H27A	H27B	120.0°	120.0°

Definition date:	2010-04-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3MF5