F32

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.55Å	1.51Å
C1	S5	sing	1.84Å	1.79Å
C1	C11	sing	1.51Å	1.54Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.50Å	1.52Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C3	N4	sing	1.34Å	1.33Å
C3	O9	doub	1.21Å	1.22Å
N4	S5	sing	1.67Å	1.79Å
N4	H4	sing	0.97Å	1.00Å
S5	O6	doub	1.42Å	1.66Å
S5	O7	doub	1.42Å	1.69Å
C11	C12	doub	1.38Å	1.47Å	Aromatic
C11	C16	sing	1.38Å	1.47Å	Aromatic
C12	C13	sing	1.38Å	1.47Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
C13	C14	doub	1.38Å	1.47Å	Aromatic
C13	H13	sing	1.08Å	1.08Å
C14	C15	sing	1.38Å	1.46Å	Aromatic
C14	C21	sing	1.51Å	1.51Å
C15	C16	doub	1.38Å	1.46Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C21	C22	sing	1.53Å	1.53Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C22	N45	sing	1.47Å	1.46Å
C22	C25	sing	1.51Å	1.53Å
C22	H22	sing	1.09Å	1.10Å
N45	C10	sing	1.38Å	1.41Å
N45	H45	sing	0.97Å	1.00Å
C17	C19	doub	1.38Å	1.49Å	Aromatic
C17	C6	sing	1.39Å	1.49Å	Aromatic
C17	H17	sing	1.08Å	1.08Å
C19	C23	sing	1.39Å	1.47Å	Aromatic
C19	H19	sing	1.08Å	1.08Å
C23	C4	doub	1.40Å	1.44Å	Aromatic
C23	N11	sing	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.47Å	Aromatic
C4	N13	sing	1.36Å	1.41Å	Aromatic
C5	C6	doub	1.37Å	1.49Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
N11	C25	sing	1.36Å	1.42Å	Aromatic
N11	H11	sing	0.97Å	1.00Å
C25	N13	doub	1.30Å	1.42Å	Aromatic
C7	C8	doub	1.38Å	1.48Å	Aromatic
C7	C24	sing	1.39Å	1.48Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.37Å	1.48Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C18	doub	1.41Å	1.47Å	Aromatic
C9	S1	sing	1.78Å	1.80Å	Aromatic
C18	C20	sing	1.41Å	1.47Å	Aromatic
C18	N1	sing	1.35Å	1.42Å	Aromatic
C20	C24	doub	1.37Å	1.48Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
S1	C10	sing	1.79Å	1.80Å	Aromatic
C10	N1	doub	1.31Å	1.41Å	Aromatic

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	S5	103.0°	99.1°
C2	C1	C11	117.8°	111.5°
C2	C1	H1	109.8°	111.5°
C1	C2	C3	108.9°	108.6°
C1	C2	H2C1	109.8°	109.7°
C1	C2	H2C2	109.7°	109.7°
S5	C1	C11	113.2°	111.5°
S5	C1	H1	114.7°	111.5°
C1	S5	N4	93.0°	99.7°
C1	S5	O6	112.1°	112.1°
C1	S5	O7	113.0°	112.1°
C11	C1	H1	98.9°	111.3°
C1	C11	C12	120.2°	120.0°
C1	C11	C16	119.7°	120.0°
C3	C2	H2C1	109.8°	109.7°
C3	C2	H2C2	109.6°	109.6°
C2	C3	N4	114.3°	118.5°
C2	C3	O9	125.5°	120.7°
H2C1	C2	H2C2	109.0°	109.6°
N4	C3	O9	120.2°	120.7°
C3	N4	S5	109.6°	107.9°
C3	N4	H4	125.2°	126.1°
S5	N4	H4	125.2°	126.0°
N4	S5	O6	111.7°	103.5°
N4	S5	O7	110.8°	103.2°
O6	S5	O7	114.3°	122.6°
C12	C11	C16	120.1°	120.0°
C11	C12	C13	119.5°	120.0°
C11	C12	H12	120.3°	120.0°
C11	C16	C15	120.6°	120.0°
C11	C16	H16	119.7°	120.0°
C13	C12	H12	120.2°	120.0°
C12	C13	C14	119.8°	120.0°
C12	C13	H13	120.1°	120.0°
C14	C13	H13	120.1°	119.9°
C13	C14	C15	120.4°	120.0°
C13	C14	C21	119.8°	120.0°
C15	C14	C21	119.7°	120.0°
C14	C15	C16	119.5°	120.0°
C14	C15	H15	120.2°	120.0°
C14	C21	C22	112.5°	109.5°
C14	C21	H211	107.8°	109.5°
C14	C21	H212	108.4°	109.5°
C16	C15	H15	120.2°	120.0°
C15	C16	H16	119.7°	120.0°
C22	C21	H211	107.8°	109.4°
C22	C21	H212	108.5°	109.5°
C21	C22	N45	107.7°	109.4°
C21	C22	C25	109.8°	109.5°
C21	C22	H22	110.9°	109.5°
H211	C21	H212	111.9°	109.5°
N45	C22	C25	110.7°	109.5°
N45	C22	H22	110.0°	109.4°
C22	N45	C10	121.9°	120.0°
C22	N45	H45	119.0°	120.0°
C25	C22	H22	107.8°	109.5°
C22	C25	N11	119.6°	124.9°
C22	C25	N13	118.1°	125.0°
C10	N45	H45	119.1°	120.0°
N45	C10	S1	117.4°	128.9°
N45	C10	N1	126.6°	128.8°
C19	C17	C6	120.2°	120.5°
C19	C17	H17	119.9°	119.8°
C17	C19	C23	118.0°	119.7°
C17	C19	H19	121.0°	120.2°
C6	C17	H17	119.9°	119.8°
C17	C6	C5	120.4°	120.7°
C17	C6	H6	119.8°	119.6°
C23	C19	H19	121.0°	120.2°
C19	C23	C4	121.8°	119.8°
C19	C23	N11	126.3°	134.1°
C4	C23	N11	111.9°	106.1°
C23	C4	C5	121.8°	119.5°
C23	C4	N13	112.0°	106.9°
C23	N11	C25	96.9°	107.3°
C23	N11	H11	131.6°	126.3°
C5	C4	N13	126.2°	133.6°
C4	C5	C6	117.8°	119.8°
C4	C5	H5	121.1°	120.0°
C4	N13	C25	96.8°	109.7°
C6	C5	H5	121.1°	120.1°
C5	C6	H6	119.8°	119.7°
C25	N11	H11	131.5°	126.4°
N11	C25	N13	122.4°	110.1°
C8	C7	C24	119.8°	119.3°
C8	C7	H7	120.1°	120.4°
C7	C8	C9	119.6°	119.6°
C7	C8	H8	120.2°	120.2°
C24	C7	H7	120.1°	120.3°
C7	C24	C20	120.2°	121.5°
C7	C24	H24	119.9°	119.3°
C9	C8	H8	120.2°	120.2°
C8	C9	C18	120.4°	122.7°
C8	C9	S1	132.0°	135.0°
C18	C9	S1	107.7°	102.3°
C9	C18	C20	120.0°	116.2°
C9	C18	N1	118.3°	115.7°
C9	S1	C10	90.3°	97.2°
C20	C18	N1	121.7°	128.1°
C18	C20	C24	120.0°	120.7°
C18	C20	H20	120.0°	119.6°
C18	N1	C10	107.8°	122.5°
C24	C20	H20	120.0°	119.7°
C20	C24	H24	119.9°	119.2°
S1	C10	N1	115.9°	102.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	S5	C11	128.3°	117.5°
C2	C1	S5	H1	119.3°	117.5°
C2	C1	C11	H1	118.0°	125.1°
C1	C2	C3	H2C1	120.2°	119.8°
C1	C2	C3	H2C2	120.0°	119.8°
C1	C2	H2C1	H2C2	120.2°	120.4°
C1	C2	C3	N4	17.9°	19.4°
C1	C2	C3	O9	163.3°	160.9°
C2	C1	S5	N4	30.3°	21.7°
C2	C1	S5	O6	145.2°	130.6°
C2	C1	S5	O7	83.9°	87.0°
C2	C1	C11	C12	36.3°	120.0°
C2	C1	C11	C16	144.4°	59.7°
S5	C1	C11	H1	121.8°	125.2°
S5	C1	C2	C3	31.6°	23.9°
S5	C1	C2	H2C1	151.8°	143.7°
S5	C1	C2	H2C2	88.4°	95.8°
C1	S5	N4	C3	22.0°	12.7°
C1	S5	N4	O6	115.3°	115.7°
C1	S5	N4	O7	116.0°	115.6°
C1	S5	N4	H4	158.0°	167.0°
C1	S5	O6	O7	130.3°	137.8°
S5	C1	C11	C12	83.8°	130.3°
S5	C1	C11	C16	95.4°	50.0°
C11	C1	C2	C3	156.9°	141.4°
C11	C1	C2	H2C1	82.8°	98.8°
C11	C1	C2	H2C2	37.0°	21.7°
C11	C1	S5	N4	158.5°	139.1°
C11	C1	S5	O6	86.5°	111.9°
C11	C1	S5	O7	44.4°	30.5°
C1	C11	C12	C16	179.2°	179.7°
C1	C11	C12	C13	179.2°	180.0°
C1	C11	C12	H12	0.8°	0.0°
C1	C11	C16	C15	179.2°	179.8°
C1	C11	C16	H16	0.8°	0.2°
H1	C1	C2	C3	91.1°	93.6°
H1	C1	C2	H2C1	29.2°	26.2°
H1	C1	C2	H2C2	149.0°	146.7°
H1	C1	S5	N4	89.0°	95.8°
H1	C1	S5	O6	25.9°	13.1°
H1	C1	S5	O7	156.9°	155.5°
H1	C1	C11	C12	154.3°	5.1°
H1	C1	C11	C16	26.4°	175.1°
C3	C2	H2C1	H2C2	120.1°	120.4°
C2	C3	N4	O9	178.9°	179.7°
C2	C3	N4	S5	5.6°	2.1°
C2	C3	N4	H4	174.4°	178.2°
H2C1	C2	C3	N4	138.1°	139.2°
H2C1	C2	C3	O9	43.1°	41.1°
H2C2	C2	C3	N4	102.1°	100.4°
H2C2	C2	C3	O9	76.7°	79.3°
C3	N4	S5	H4	180.0°	179.7°
C3	N4	S5	O6	137.3°	128.3°
C3	N4	S5	O7	94.0°	102.9°
O9	C3	N4	S5	173.3°	178.1°
O9	C3	N4	H4	6.7°	1.5°
N4	S5	O6	O7	126.8°	115.7°
H4	N4	S5	O6	42.7°	51.3°
H4	N4	S5	O7	86.0°	77.4°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	0.0°	0.0°
C11	C12	C13	H13	180.0°	180.0°
C12	C11	C16	C15	0.1°	0.5°
C12	C11	C16	H16	179.9°	179.9°
C16	C11	C12	C13	0.1°	0.3°
C16	C11	C12	H12	179.9°	179.7°
C11	C16	C15	C14	0.0°	0.4°
C11	C16	C15	H16	180.0°	179.6°
C11	C16	C15	H15	179.9°	179.8°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	C21	179.9°	180.0°
H12	C12	C13	C14	180.0°	180.0°
H12	C12	C13	H13	0.0°	0.0°
C13	C14	C15	C21	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.2°
C13	C14	C15	H15	179.8°	180.0°
C13	C14	C21	C22	122.1°	90.0°
C13	C14	C21	H211	119.3°	150.0°
C13	C14	C21	H212	2.1°	30.0°
H13	C13	C14	C15	179.9°	180.0°
H13	C13	C14	C21	0.1°	0.0°
C14	C15	C16	H15	180.0°	179.8°
C14	C15	C16	H16	180.0°	180.0°
C15	C14	C21	C22	57.9°	90.0°
C15	C14	C21	H211	60.8°	30.0°
C15	C14	C21	H212	177.9°	150.0°
C21	C14	C15	C16	179.9°	179.8°
C21	C14	C15	H15	0.1°	0.0°
C14	C21	C22	H211	118.7°	120.0°
C14	C21	C22	H212	120.0°	120.1°
C14	C21	H211	H212	119.1°	120.1°
C14	C21	C22	N45	165.2°	65.0°
C14	C21	C22	C25	74.1°	175.0°
C14	C21	C22	H22	44.9°	54.9°
H15	C15	C16	H16	0.1°	0.2°
C22	C21	H211	H212	119.2°	120.0°
C21	C22	N45	C25	120.1°	120.0°
C21	C22	N45	H22	120.9°	120.0°
C21	C22	C25	H22	120.9°	120.1°
C21	C22	N45	C10	136.4°	155.0°
C21	C22	N45	H45	43.6°	25.1°
C21	C22	C25	N11	106.8°	125.0°
C21	C22	C25	N13	70.9°	55.3°
H211	C21	C22	N45	46.6°	175.0°
H211	C21	C22	C25	167.2°	55.0°
H211	C21	C22	H22	73.8°	65.0°
H212	C21	C22	N45	74.8°	55.1°
H212	C21	C22	C25	45.9°	64.9°
H212	C21	C22	H22	164.9°	175.0°
N45	C22	C25	H22	120.3°	120.0°
C22	N45	C10	H45	180.0°	179.9°
N45	C22	C25	N11	134.4°	5.0°
N45	C22	C25	N13	47.9°	175.3°
C22	N45	C10	S1	174.8°	180.0°
C22	N45	C10	N1	4.4°	0.3°
C25	C22	N45	C10	103.5°	85.0°
C25	C22	N45	H45	76.5°	94.9°
C22	C25	N11	C23	177.2°	180.0°
C22	C25	N13	C4	177.1°	179.9°
C22	C25	N11	N13	177.6°	179.7°
C22	C25	N11	H11	2.8°	0.0°
H22	C22	N45	C10	15.5°	35.0°
H22	C22	N45	H45	164.5°	145.1°
H22	C22	C25	N11	14.1°	115.0°
H22	C22	C25	N13	168.2°	64.7°
N45	C10	S1	C9	179.2°	180.0°
N45	C10	N1	C18	179.1°	179.8°
N45	C10	S1	N1	179.3°	179.8°
H45	N45	C10	S1	5.2°	0.0°
H45	N45	C10	N1	175.6°	179.8°
C19	C17	C6	H17	180.0°	180.0°
C17	C19	C23	H19	180.0°	179.9°
C17	C19	C23	C4	0.0°	0.0°
C17	C19	C23	N11	179.0°	180.0°
C19	C17	C6	C5	0.0°	0.0°
C19	C17	C6	H6	180.0°	180.0°
C6	C17	C19	C23	0.1°	0.1°
C6	C17	C19	H19	179.9°	180.0°
C17	C6	C5	C4	0.2°	0.1°
C17	C6	C5	H6	180.0°	180.0°
C17	C6	C5	H5	179.8°	179.9°
H17	C17	C19	C23	179.9°	180.0°
H17	C17	C19	H19	0.1°	0.1°
H17	C17	C6	C5	180.0°	180.0°
H17	C17	C6	H6	0.0°	0.0°
C19	C23	C4	N11	179.1°	180.0°
C19	C23	C4	C5	0.2°	0.0°
C19	C23	C4	N13	179.3°	179.8°
C19	C23	N11	C25	178.9°	180.0°
C19	C23	N11	H11	1.1°	0.1°
H19	C19	C23	C4	180.0°	179.9°
H19	C19	C23	N11	1.0°	0.1°
C23	C4	C5	N13	179.3°	179.8°
C23	C4	C5	C6	0.2°	0.1°
C23	C4	C5	H5	179.8°	179.9°
C4	C23	N11	C25	0.2°	0.0°
C4	C23	N11	H11	179.8°	180.0°
C23	C4	N13	C25	0.3°	0.4°
N11	C23	C4	C5	179.3°	179.9°
N11	C23	C4	N13	0.1°	0.2°
C23	N11	C25	H11	180.0°	180.0°
C23	N11	C25	N13	0.4°	0.3°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	H6	179.8°	180.0°
C5	C4	N13	C25	179.1°	179.8°
N13	C4	C5	C6	179.1°	179.7°
N13	C4	C5	H5	0.9°	0.3°
C4	N13	C25	N11	0.5°	0.4°
H5	C5	C6	H6	0.2°	0.1°
H11	N11	C25	N13	179.5°	179.7°
C8	C7	C24	H7	180.0°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C18	0.0°	0.0°
C7	C8	C9	S1	179.9°	180.0°
C8	C7	C24	C20	0.0°	0.0°
C8	C7	C24	H24	180.0°	180.0°
C24	C7	C8	C9	0.1°	0.0°
C24	C7	C8	H8	179.9°	180.0°
C7	C24	C20	C18	0.0°	0.0°
C7	C24	C20	H24	180.0°	180.0°
C7	C24	C20	H20	180.0°	180.0°
H7	C7	C8	C9	180.0°	180.0°
H7	C7	C8	H8	0.1°	0.0°
H7	C7	C24	C20	180.0°	180.0°
H7	C7	C24	H24	0.0°	0.0°
C8	C9	C18	S1	179.9°	180.0°
C8	C9	C18	C20	0.0°	0.0°
C8	C9	C18	N1	180.0°	179.8°
C8	C9	S1	C10	179.9°	180.0°
H8	C8	C9	C18	180.0°	180.0°
H8	C8	C9	S1	0.1°	0.0°
C9	C18	C20	N1	180.0°	179.7°
C9	C18	C20	C24	0.0°	0.0°
C9	C18	C20	H20	179.9°	180.0°
C18	C9	S1	C10	0.0°	0.0°
C9	C18	N1	C10	0.1°	0.5°
S1	C9	C18	C20	179.8°	180.0°
S1	C9	C18	N1	0.1°	0.2°
C9	S1	C10	N1	0.0°	0.2°
C18	C20	C24	H20	180.0°	180.0°
C18	C20	C24	H24	180.0°	180.0°
C20	C18	N1	C10	179.8°	179.8°
N1	C18	C20	C24	180.0°	179.7°
N1	C18	C20	H20	0.0°	0.3°
C18	N1	C10	S1	0.1°	0.4°
H20	C20	C24	H24	0.1°	0.0°

Definition date:	2006-05-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI