F19

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.36Å	1.40Å	Aromatic
C1	C6	sing	1.40Å	1.45Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	sing	1.39Å	1.45Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.36Å	1.41Å	Aromatic
C3	S11	sing	1.76Å	1.80Å
C4	C5	sing	1.41Å	1.45Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	doub	1.42Å	1.46Å	Aromatic
C5	C10	sing	1.41Å	1.45Å	Aromatic
C6	C7	sing	1.41Å	1.43Å	Aromatic
C7	C8	doub	1.36Å	1.57Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.39Å	1.44Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C9	C10	doub	1.36Å	1.46Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
S11	O12	doub	1.42Å	1.46Å
S11	O13	doub	1.42Å	1.44Å
S11	N1	sing	1.66Å	1.70Å
C16	O17	sing	1.43Å	1.42Å
C16	C18	sing	1.53Å	1.51Å
C16	H161	sing	1.09Å	1.10Å
C16	H162	sing	1.09Å	1.10Å
O17	P	sing	1.61Å	1.63Å
C18	N1	sing	1.47Å	1.46Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
N1	HA	sing	0.97Å	1.00Å
O20	P	doub	1.61Å	1.41Å
O21	P	sing	1.61Å	1.51Å
O21	H21	sing	0.97Å	0.95Å
P	O22	sing	1.48Å	1.46Å
O22	H22	sing	5.26Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	120.5°	119.7°
C2	C1	H1	119.8°	120.2°
C1	C2	C3	121.2°	121.0°
C1	C2	H2	119.4°	119.5°
C6	C1	H1	119.7°	120.2°
C1	C6	C5	119.0°	119.3°
C1	C6	C7	120.2°	121.3°
C3	C2	H2	119.4°	119.5°
C2	C3	C4	117.4°	121.0°
C2	C3	S11	120.4°	119.5°
C4	C3	S11	122.2°	119.5°
C3	C4	C5	121.6°	119.7°
C3	C4	H4	119.2°	120.1°
C3	S11	O12	107.0°	105.8°
C3	S11	O13	107.9°	105.8°
C3	S11	N1	111.7°	107.4°
C5	C4	H4	119.2°	120.2°
C4	C5	C6	118.2°	119.4°
C4	C5	C10	122.0°	121.3°
C6	C5	C10	119.8°	119.4°
C5	C6	C7	120.8°	119.3°
C5	C10	C9	123.1°	119.7°
C5	C10	H10	118.4°	120.2°
C6	C7	C8	115.4°	119.7°
C6	C7	H7	122.3°	120.1°
C8	C7	H7	122.3°	120.2°
C7	C8	C9	124.4°	121.0°
C7	C8	H8	117.8°	119.5°
C9	C8	H8	117.8°	119.5°
C8	C9	C10	112.8°	121.0°
C8	C9	H9	123.6°	119.5°
C10	C9	H9	123.6°	119.5°
C9	C10	H10	118.4°	120.1°
O12	S11	O13	113.1°	125.4°
O12	S11	N1	112.0°	105.8°
O13	S11	N1	105.2°	105.8°
S11	N1	C18	119.3°	120.0°
S11	N1	HA	106.3°	120.0°
O17	C16	C18	109.5°	109.5°
O17	C16	H161	109.5°	109.5°
O17	C16	H162	109.5°	109.5°
C16	O17	P	117.7°	106.8°
C18	C16	H161	109.5°	109.4°
C18	C16	H162	109.5°	109.4°
C16	C18	N1	109.2°	109.5°
C16	C18	H181	109.6°	109.5°
C16	C18	H182	109.6°	109.5°
H161	C16	H162	109.5°	109.5°
O17	P	O20	121.8°	109.5°
O17	P	O21	103.0°	109.5°
O17	P	O22	106.8°	109.5°
N1	C18	H181	109.6°	109.4°
N1	C18	H182	109.6°	109.5°
C18	N1	HA	106.3°	120.0°
H181	C18	H182	109.3°	109.5°
O20	P	O21	106.0°	109.5°
O20	P	O22	108.8°	109.4°
P	O21	H21	109.5°	106.8°
O21	P	O22	110.1°	109.5°
P	O22	H22	109.5°	58.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	15.7°	0.3°
C1	C2	C3	S11	165.1°	180.0°
C2	C1	C6	C5	0.5°	0.1°
C2	C1	C6	C7	179.4°	180.0°
C6	C1	C2	C3	7.7°	0.0°
C6	C1	C2	H2	172.3°	180.0°
C1	C6	C5	C4	1.5°	0.3°
C1	C6	C5	C7	179.9°	180.0°
C1	C6	C5	C10	177.7°	180.0°
C1	C6	C7	C8	175.0°	180.0°
C1	C6	C7	H7	5.0°	0.0°
H1	C1	C2	C3	172.2°	180.0°
H1	C1	C2	H2	7.8°	0.0°
H1	C1	C6	C5	179.5°	179.9°
H1	C1	C6	C7	0.6°	0.0°
C2	C3	C4	S11	179.2°	179.7°
C2	C3	C4	C5	16.8°	0.5°
C2	C3	C4	H4	163.2°	179.7°
C2	C3	S11	O12	157.5°	157.4°
C2	C3	S11	O13	80.5°	22.6°
C2	C3	S11	N1	34.6°	90.0°
H2	C2	C3	C4	164.3°	179.8°
H2	C2	C3	S11	15.0°	0.0°
C3	C4	C5	H4	180.0°	179.8°
C3	C4	C5	C6	10.0°	0.5°
C3	C4	C5	C10	169.1°	179.8°
C4	C3	S11	O12	23.3°	22.4°
C4	C3	S11	O13	98.7°	157.2°
C4	C3	S11	N1	146.2°	90.3°
S11	C3	C4	C5	164.0°	179.7°
S11	C3	C4	H4	16.0°	0.0°
C3	S11	O12	O13	118.6°	123.1°
C3	S11	O12	N1	122.7°	113.7°
C3	S11	O13	N1	119.3°	113.7°
C3	S11	N1	C18	43.7°	65.0°
C3	S11	N1	HA	163.7°	115.1°
C4	C5	C6	C10	179.2°	179.7°
C4	C5	C6	C7	178.5°	179.7°
C4	C5	C10	C9	162.7°	179.7°
C4	C5	C10	H10	17.3°	0.3°
H4	C4	C5	C6	170.0°	179.7°
H4	C4	C5	C10	10.9°	0.0°
C5	C6	C7	C8	4.9°	0.0°
C5	C6	C7	H7	175.1°	180.0°
C6	C5	C10	C9	18.1°	0.0°
C6	C5	C10	H10	161.9°	180.0°
C10	C5	C6	C7	2.4°	0.0°
C5	C10	C9	C8	23.7°	0.0°
C5	C10	C9	H10	180.0°	180.0°
C5	C10	C9	H9	156.3°	180.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	2.3°	0.0°
C6	C7	C8	H8	177.7°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	15.6°	0.0°
C7	C8	C9	H9	164.3°	180.0°
H7	C7	C8	C9	177.7°	180.0°
H7	C7	C8	H8	2.3°	0.0°
C8	C9	C10	H9	180.0°	180.0°
C8	C9	C10	H10	156.3°	180.0°
H8	C8	C9	C10	164.4°	180.0°
H8	C8	C9	H9	15.6°	0.0°
H9	C9	C10	H10	23.7°	0.0°
O12	S11	O13	N1	122.6°	123.2°
O12	S11	N1	C18	76.2°	47.6°
O12	S11	N1	HA	43.8°	132.3°
O13	S11	N1	C18	160.5°	177.6°
O13	S11	N1	HA	79.5°	2.5°
S11	N1	C18	C16	128.5°	165.0°
S11	N1	C18	HA	120.0°	179.9°
S11	N1	C18	H181	111.5°	45.0°
S11	N1	C18	H182	8.5°	75.1°
O17	C16	C18	H161	120.0°	120.0°
O17	C16	C18	H162	120.0°	120.1°
O17	C16	H161	H162	120.0°	120.1°
O17	C16	C18	N1	158.4°	65.0°
O17	C16	C18	H181	81.5°	175.1°
O17	C16	C18	H182	38.4°	55.0°
C16	O17	P	O20	58.4°	175.0°
C16	O17	P	O21	60.0°	65.0°
C16	O17	P	O22	176.0°	55.0°
C18	C16	H161	H162	120.0°	120.0°
C18	C16	O17	P	149.7°	180.0°
C16	C18	N1	H181	120.1°	120.0°
C16	C18	N1	H182	120.0°	120.0°
C16	C18	H181	H182	120.1°	120.0°
C16	C18	N1	HA	8.5°	14.9°
H161	C16	O17	P	90.3°	60.0°
H161	C16	C18	N1	38.4°	55.0°
H161	C16	C18	H181	158.5°	64.9°
H161	C16	C18	H182	81.6°	175.0°
H162	C16	O17	P	29.7°	60.0°
H162	C16	C18	N1	81.6°	175.0°
H162	C16	C18	H181	38.5°	55.0°
H162	C16	C18	H182	158.4°	65.1°
O17	P	O20	O21	116.9°	120.0°
O17	P	O20	O22	124.7°	120.0°
O17	P	O21	O22	113.6°	120.0°
O17	P	O21	H21	141.3°	60.0°
O17	P	O22	H22	173.5°	2.4°
N1	C18	H181	H182	120.1°	120.0°
H181	C18	N1	HA	128.6°	134.9°
H182	C18	N1	HA	111.5°	105.0°
O20	P	O21	O22	117.5°	120.0°
O20	P	O21	H21	89.8°	60.0°
O20	P	O22	H22	53.4°	122.4°
O21	P	O22	H22	62.3°	117.6°
H21	O21	P	O22	27.7°	180.0°

Definition date:	2006-04-27
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB