FMD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F17	C1	sing	1.35Å	1.35Å
C1	C2	doub	1.40Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.40Å	Aromatic
C2	C18	sing	1.43Å	1.41Å
C2	C3	sing	1.40Å	1.47Å	Aromatic
C18	C19	trip	1.17Å	1.20Å
C19	C20	sing	1.47Å	1.41Å
C20	O27	sing	1.43Å	1.43Å
C20	C23	sing	1.53Å	1.55Å
C20	H20	sing	1.09Å	1.11Å
O27	H27	sing	0.97Å	0.95Å
C23	N28	sing	1.47Å	1.47Å
C23	C24	sing	1.53Å	1.54Å
C23	H23	sing	1.09Å	1.11Å
N28	H281	sing	1.01Å	1.02Å
N28	H282	sing	1.01Å	1.02Å
C24	O26	sing	1.43Å	1.43Å
C24	C25	sing	1.53Å	1.55Å
C24	H24	sing	1.09Å	1.11Å
O26	H26	sing	0.97Å	0.95Å
C25	H251	sing	1.09Å	1.11Å
C25	H252	sing	1.09Å	1.12Å
C25	H253	sing	1.09Å	1.12Å
C3	C4	doub	1.40Å	1.43Å	Aromatic
C3	C7	sing	1.48Å	1.36Å
C4	N9	sing	1.39Å	1.38Å
C4	C5	sing	1.39Å	1.39Å	Aromatic
N9	C8	sing	1.34Å	1.41Å
N9	HN9	sing	0.97Å	1.02Å
C8	O10	doub	1.22Å	1.21Å
C8	C7	sing	1.42Å	1.50Å
C5	C6	doub	1.38Å	1.41Å	Aromatic
C5	HC5	sing	1.08Å	1.10Å
C6	HC6	sing	1.08Å	1.10Å
C7	C11	doub	1.39Å	1.47Å
C11	C12	sing	1.40Å	1.46Å
C11	H11	sing	1.08Å	1.10Å
C12	C13	doub	1.39Å	1.38Å	Aromatic
C12	N16	sing	1.38Å	1.38Å	Aromatic
C13	O21	sing	1.36Å	1.38Å
C13	C14	sing	1.40Å	1.46Å	Aromatic
O21	C22	sing	1.43Å	1.44Å
C22	H221	sing	1.09Å	1.12Å
C22	H222	sing	1.09Å	1.11Å
C22	H223	sing	1.09Å	1.12Å
C14	C15	doub	1.35Å	1.36Å	Aromatic
C14	H14	sing	1.08Å	1.10Å
C15	N16	sing	1.36Å	1.36Å	Aromatic
C15	H15	sing	1.08Å	1.10Å
N16	H16	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F17	C1	C2	117.3°	120.0°
F17	C1	C6	119.6°	120.0°
C2	C1	C6	123.1°	120.0°
C1	C2	C18	120.0°	120.3°
C1	C2	C3	115.8°	119.3°
C1	C6	C5	120.9°	120.8°
C1	C6	HC6	119.4°	119.6°
C18	C2	C3	124.1°	120.3°
C2	C18	C19	178.9°	180.0°
C2	C3	C4	119.7°	120.2°
C2	C3	C7	132.2°	133.6°
C18	C19	C20	177.7°	180.0°
C19	C20	O27	108.3°	109.5°
C19	C20	C23	114.7°	109.5°
C19	C20	H20	108.9°	109.5°
O27	C20	C23	115.0°	109.5°
O27	C20	H20	108.5°	109.5°
C20	O27	H27	108.3°	106.7°
C23	C20	H20	101.1°	109.4°
C20	C23	N28	113.1°	109.5°
C20	C23	C24	105.9°	109.5°
C20	C23	H23	109.4°	109.4°
N28	C23	C24	109.3°	109.5°
N28	C23	H23	106.0°	109.5°
C23	N28	H281	110.9°	106.7°
C23	N28	H282	113.1°	106.8°
C24	C23	H23	113.2°	109.5°
C23	C24	O26	112.6°	109.5°
C23	C24	C25	113.3°	109.4°
C23	C24	H24	104.4°	109.5°
H281	N28	H282	110.9°	106.6°
O26	C24	C25	109.0°	109.4°
O26	C24	H24	109.0°	109.5°
C24	O26	H26	112.6°	106.8°
C25	C24	H24	108.3°	109.4°
C24	C25	H251	110.8°	109.4°
C24	C25	H252	113.3°	109.5°
C24	C25	H253	110.8°	109.4°
H251	C25	H252	110.8°	109.5°
H251	C25	H253	99.5°	109.5°
H252	C25	H253	110.8°	109.5°
C4	C3	C7	108.2°	106.2°
C3	C4	N9	106.3°	108.3°
C3	C4	C5	121.9°	119.4°
C3	C7	C8	110.8°	105.7°
C3	C7	C11	126.1°	127.1°
N9	C4	C5	131.8°	132.4°
C4	N9	C8	114.1°	110.9°
C4	N9	HN9	122.1°	124.6°
C4	C5	C6	118.6°	120.4°
C4	C5	HC5	120.0°	119.8°
C8	N9	HN9	123.8°	124.5°
N9	C8	O10	123.9°	125.5°
N9	C8	C7	100.6°	108.9°
O10	C8	C7	135.5°	125.5°
C8	C7	C11	123.1°	127.2°
C6	C5	HC5	121.4°	119.8°
C5	C6	HC6	119.7°	119.6°
C7	C11	C12	133.4°	120.0°
C7	C11	H11	113.8°	120.0°
C12	C11	H11	112.8°	120.0°
C11	C12	C13	129.3°	126.4°
C11	C12	N16	121.8°	126.4°
C13	C12	N16	109.0°	107.1°
C12	C13	O21	126.1°	126.5°
C12	C13	C14	105.0°	107.0°
C12	N16	C15	109.3°	108.7°
C12	N16	H16	126.0°	125.7°
O21	C13	C14	128.9°	126.5°
C13	O21	C22	119.3°	106.8°
C13	C14	C15	107.8°	108.0°
C13	C14	H14	128.9°	126.0°
O21	C22	H221	108.7°	109.5°
O21	C22	H222	119.3°	109.5°
O21	C22	H223	108.7°	109.5°
H221	C22	H222	108.7°	109.5°
H221	C22	H223	101.3°	109.4°
H222	C22	H223	108.7°	109.5°
C15	C14	H14	123.3°	126.0°
C14	C15	N16	108.9°	109.2°
C14	C15	H15	125.6°	125.3°
N16	C15	H15	125.5°	125.4°
C15	N16	H16	124.7°	125.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F17	C1	C2	C6	179.7°	180.0°
F17	C1	C2	C18	1.0°	0.0°
F17	C1	C2	C3	179.5°	179.7°
F17	C1	C6	C5	179.5°	180.0°
F17	C1	C6	HC6	0.5°	0.0°
C1	C2	C18	C3	179.5°	179.7°
C1	C2	C18	C19	172.9°	162.6°
C1	C2	C3	C4	0.2°	0.6°
C1	C2	C3	C7	179.2°	179.6°
C2	C1	C6	C5	0.2°	0.1°
C2	C1	C6	HC6	179.8°	180.0°
C6	C1	C2	C18	179.3°	180.0°
C6	C1	C2	C3	0.2°	0.3°
C1	C6	C5	C4	0.3°	0.0°
C1	C6	C5	HC6	180.0°	179.9°
C1	C6	C5	HC5	179.7°	179.9°
C2	C18	C19	C20	38.0°	125.5°
C18	C2	C3	C4	179.7°	179.7°
C18	C2	C3	C7	1.4°	0.7°
C3	C2	C18	C19	7.6°	17.7°
C2	C3	C4	C7	179.2°	179.3°
C2	C3	C4	N9	179.6°	179.7°
C2	C3	C4	C5	0.7°	0.5°
C2	C3	C7	C8	179.7°	179.5°
C2	C3	C7	C11	0.9°	0.7°
C18	C19	C20	O27	105.6°	108.1°
C18	C19	C20	C23	124.5°	131.9°
C18	C19	C20	H20	12.2°	11.9°
C19	C20	O27	C23	129.7°	120.0°
C19	C20	O27	H20	118.0°	120.0°
C19	C20	C23	H20	116.9°	120.0°
C19	C20	O27	H27	180.0°	60.0°
C19	C20	C23	N28	23.6°	60.0°
C19	C20	C23	C24	143.2°	180.0°
C19	C20	C23	H23	94.4°	60.0°
O27	C20	C23	H20	116.7°	120.0°
O27	C20	C23	N28	150.0°	180.0°
O27	C20	C23	C24	90.3°	60.0°
O27	C20	C23	H23	32.1°	60.0°
C23	C20	O27	H27	50.3°	60.1°
C20	C23	N28	C24	117.7°	120.0°
C20	C23	N28	H23	119.9°	120.0°
C20	C23	C24	H23	119.9°	120.0°
C20	C23	N28	H281	54.7°	60.1°
C20	C23	N28	H282	180.0°	173.8°
C20	C23	C24	O26	153.2°	60.1°
C20	C23	C24	C25	28.8°	180.0°
C20	C23	C24	H24	88.7°	60.0°
H20	C20	O27	H27	62.0°	180.0°
H20	C20	C23	N28	93.3°	60.0°
H20	C20	C23	C24	26.3°	60.0°
H20	C20	C23	H23	148.7°	180.0°
N28	C23	C24	H23	118.0°	120.0°
C23	N28	H281	H282	126.5°	113.8°
N28	C23	C24	O26	84.7°	59.9°
N28	C23	C24	C25	151.0°	60.0°
N28	C23	C24	H24	33.4°	180.0°
C24	C23	N28	H281	63.0°	60.0°
C24	C23	N28	H282	62.3°	53.8°
C23	C24	O26	C25	126.6°	119.9°
C23	C24	O26	H24	115.3°	120.1°
C23	C24	C25	H24	115.3°	120.0°
C23	C24	O26	H26	180.0°	60.0°
C23	C24	C25	H251	54.7°	180.0°
C23	C24	C25	H252	180.0°	60.0°
C23	C24	C25	H253	54.7°	60.0°
H23	C23	N28	H281	174.6°	180.0°
H23	C23	N28	H282	60.1°	66.2°
H23	C23	C24	O26	33.3°	180.0°
H23	C23	C24	C25	91.1°	60.0°
H23	C23	C24	H24	151.3°	59.9°
O26	C24	C25	H24	118.5°	120.1°
O26	C24	C25	H251	71.6°	60.0°
O26	C24	C25	H252	53.7°	180.0°
O26	C24	C25	H253	179.0°	59.9°
C25	C24	O26	H26	53.4°	60.0°
C24	C25	H251	H252	126.7°	120.0°
C24	C25	H251	H253	116.7°	119.9°
C24	C25	H252	H253	125.3°	120.0°
H24	C24	O26	H26	64.7°	180.0°
H24	C24	C25	H251	170.0°	60.1°
H24	C24	C25	H252	64.7°	60.0°
H24	C24	C25	H253	60.5°	NaN°
H251	C25	H252	H253	109.5°	120.0°
C3	C4	N9	C5	178.7°	179.7°
C3	C4	N9	C8	1.4°	0.3°
C3	C4	N9	HN9	178.6°	179.8°
C4	C3	C7	C8	0.7°	0.4°
C3	C4	C5	C6	0.7°	0.3°
C3	C4	C5	HC5	179.2°	179.7°
C4	C3	C7	C11	179.9°	179.9°
C7	C3	C4	N9	1.2°	0.4°
C7	C3	C4	C5	179.9°	179.8°
C3	C7	C8	N9	0.1°	0.2°
C3	C7	C8	O10	179.7°	179.7°
C3	C7	C8	C11	179.4°	179.8°
C3	C7	C11	C12	176.3°	172.6°
C3	C7	C11	H11	3.6°	7.4°
C4	N9	C8	HN9	180.0°	179.9°
C4	N9	C8	O10	179.4°	180.0°
C4	N9	C8	C7	0.9°	0.1°
N9	C4	C5	C6	179.3°	180.0°
N9	C4	C5	HC5	0.7°	0.0°
C5	C4	N9	C8	179.9°	180.0°
C5	C4	N9	HN9	0.1°	0.0°
C4	C5	C6	HC5	180.0°	180.0°
C4	C5	C6	HC6	179.7°	180.0°
N9	C8	O10	C7	179.5°	179.9°
N9	C8	C7	C11	179.3°	180.0°
HN9	N9	C8	O10	0.6°	0.1°
HN9	N9	C8	C7	179.0°	180.0°
O10	C8	C7	C11	0.2°	0.0°
C8	C7	C11	C12	3.0°	7.7°
C8	C7	C11	H11	177.0°	172.4°
HC5	C5	C6	HC6	0.3°	0.0°
C7	C11	C12	H11	180.0°	180.0°
C7	C11	C12	C13	178.3°	145.7°
C7	C11	C12	N16	2.8°	34.9°
C11	C12	C13	N16	179.0°	179.5°
C11	C12	C13	O21	0.9°	0.3°
C11	C12	C13	C14	179.6°	180.0°
C11	C12	N16	C15	179.5°	180.0°
C11	C12	N16	H16	0.5°	0.2°
H11	C11	C12	C13	1.7°	34.3°
H11	C11	C12	N16	177.2°	145.1°
C12	C13	O21	C14	178.4°	179.6°
C12	C13	O21	C22	157.0°	179.6°
C12	C13	C14	C15	1.0°	0.4°
C12	C13	C14	H14	179.0°	179.8°
C13	C12	N16	C15	1.4°	0.4°
C13	C12	N16	H16	178.6°	179.8°
N16	C12	C13	O21	179.9°	179.9°
N16	C12	C13	C14	1.4°	0.5°
C12	N16	C15	C14	0.7°	0.2°
C12	N16	C15	H16	180.0°	179.8°
C12	N16	C15	H15	179.3°	179.7°
C13	O21	C22	H221	54.7°	180.0°
C13	O21	C22	H222	180.0°	60.0°
C13	O21	C22	H223	54.7°	60.0°
O21	C13	C14	C15	179.6°	180.0°
O21	C13	C14	H14	0.4°	0.1°
C14	C13	O21	C22	24.6°	0.1°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	N16	0.2°	0.1°
C13	C14	C15	H15	179.8°	180.0°
O21	C22	H221	H222	131.2°	120.0°
O21	C22	H221	H223	114.3°	120.0°
O21	C22	H222	H223	125.3°	120.0°
H221	C22	H222	H223	109.5°	120.0°
C14	C15	N16	H15	180.0°	179.9°
C14	C15	N16	H16	179.3°	180.0°
H14	C14	C15	N16	179.8°	180.0°
H14	C14	C15	H15	0.2°	0.1°
H15	C15	N16	H16	0.7°	0.1°

Definition date:	2003-10-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1R78