FC1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C2	sing	1.35Å	1.40Å
O6	C11	sing	1.43Å	1.43Å
S7	C3	sing	1.77Å	1.77Å	Aromatic
S7	C10	sing	1.79Å	1.77Å	Aromatic
C8	C3	doub	1.38Å	1.42Å	Aromatic
C8	C12	sing	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C4	sing	1.36Å	1.42Å	Aromatic
C9	C12	doub	1.39Å	1.42Å	Aromatic
C9	H9	sing	1.08Å	1.10Å
C5	C2	doub	1.34Å	1.36Å	Aromatic
C5	C10	sing	1.41Å	1.49Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C1	C2	sing	1.45Å	1.50Å	Aromatic
C1	C3	sing	1.41Å	1.43Å	Aromatic
C1	C4	doub	1.40Å	1.43Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C10	O13	doub	1.22Å	1.24Å
C17	N16	sing	1.47Å	1.48Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.12Å
C17	H173	sing	1.09Å	1.12Å
C18	N16	sing	1.47Å	1.47Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.12Å
C18	H183	sing	1.09Å	1.11Å
N16	C15	sing	1.47Å	1.49Å
C11	C14	sing	1.53Å	1.52Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	H12	sing	1.08Å	1.10Å
C14	C15	sing	1.53Å	1.54Å
C14	H141	sing	1.09Å	1.12Å
C14	H142	sing	1.09Å	1.11Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	O6	C11	122.2°	106.8°
O6	C2	C5	119.1°	114.6°
O6	C2	C1	116.4°	114.5°
O6	C11	C14	107.5°	109.5°
O6	C11	H111	113.0°	109.4°
O6	C11	H112	112.9°	109.4°
C3	S7	C10	111.3°	112.8°
S7	C3	C8	123.0°	122.6°
S7	C3	C1	116.9°	115.6°
S7	C10	C5	116.5°	114.3°
S7	C10	O13	121.7°	122.9°
C3	C8	C12	120.3°	119.0°
C3	C8	H8	119.8°	120.4°
C8	C3	C1	120.1°	121.8°
C12	C8	H8	119.8°	120.5°
C8	C12	C9	119.7°	120.0°
C8	C12	H12	120.1°	120.0°
C4	C9	C12	120.3°	121.4°
C4	C9	H9	119.8°	119.3°
C9	C4	C1	120.1°	120.1°
C9	C4	H4	120.0°	119.9°
C12	C9	H9	119.9°	119.3°
C9	C12	H12	120.1°	120.0°
C2	C5	C10	125.6°	124.9°
C2	C5	H5	117.2°	117.6°
C5	C2	C1	124.5°	130.9°
C10	C5	H5	117.2°	117.5°
C5	C10	O13	121.8°	122.9°
C2	C1	C3	125.3°	121.6°
C2	C1	C4	115.3°	120.8°
C3	C1	C4	119.4°	117.7°
C1	C4	H4	120.0°	120.0°
N16	C17	H171	108.4°	109.4°
N16	C17	H172	112.6°	109.4°
N16	C17	H173	112.6°	109.4°
C17	N16	C18	108.3°	106.6°
C17	N16	C15	112.3°	106.7°
H171	C17	H172	112.6°	109.5°
H171	C17	H173	112.7°	109.5°
H172	C17	H173	97.8°	109.5°
N16	C18	H181	108.3°	109.4°
N16	C18	H182	112.6°	109.5°
N16	C18	H183	112.6°	109.5°
C18	N16	C15	107.6°	106.7°
H181	C18	H182	112.6°	109.5°
H181	C18	H183	112.6°	109.4°
H182	C18	H183	97.8°	109.5°
N16	C15	C14	113.9°	109.5°
N16	C15	H151	110.6°	109.5°
N16	C15	H152	110.6°	109.5°
C14	C11	H111	112.9°	109.4°
C14	C11	H112	113.0°	109.5°
C11	C14	C15	111.9°	109.5°
C11	C14	H141	111.3°	109.4°
C11	C14	H142	111.3°	109.5°
H111	C11	H112	97.5°	109.5°
C15	C14	H141	111.3°	109.5°
C15	C14	H142	111.3°	109.5°
C14	C15	H151	110.6°	109.4°
C14	C15	H152	110.6°	109.4°
H141	C14	H142	99.0°	109.4°
H151	C15	H152	99.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C2	C5	C1	179.3°	179.7°
O6	C2	C5	C10	179.6°	179.9°
O6	C2	C5	H5	0.4°	0.0°
O6	C2	C1	C3	179.8°	179.8°
O6	C2	C1	C4	0.5°	0.4°
C2	O6	C11	C14	135.1°	174.7°
C2	O6	C11	H111	99.6°	54.7°
C2	O6	C11	H112	9.8°	65.3°
C11	O6	C2	C5	25.5°	107.3°
C11	O6	C2	C1	155.1°	72.9°
O6	C11	C14	H111	125.3°	120.0°
O6	C11	C14	H112	125.3°	120.0°
O6	C11	H111	H112	118.9°	120.0°
O6	C11	C14	C15	106.7°	180.0°
O6	C11	C14	H141	128.1°	60.0°
O6	C11	C14	H142	18.6°	59.9°
S7	C3	C8	C1	179.5°	179.8°
S7	C3	C8	C12	179.6°	180.0°
S7	C3	C8	H8	0.4°	0.1°
C3	S7	C10	C5	0.1°	0.1°
S7	C3	C1	C2	0.5°	0.4°
S7	C3	C1	C4	179.8°	179.8°
C3	S7	C10	O13	179.9°	180.0°
C10	S7	C3	C8	179.9°	179.9°
S7	C10	C5	C2	0.1°	0.1°
S7	C10	C5	O13	179.9°	179.9°
S7	C10	C5	H5	179.9°	180.0°
C10	S7	C3	C1	0.3°	0.1°
C3	C8	C12	H8	180.0°	179.9°
C3	C8	C12	C9	0.0°	0.0°
C8	C3	C1	C2	179.9°	179.8°
C8	C3	C1	C4	0.2°	0.4°
C3	C8	C12	H12	180.0°	180.0°
C8	C12	C9	C4	0.2°	0.0°
C8	C12	C9	H12	180.0°	180.0°
C8	C12	C9	H9	179.8°	180.0°
C12	C8	C3	C1	0.1°	0.2°
H8	C8	C12	C9	180.0°	179.9°
H8	C8	C3	C1	179.9°	179.9°
H8	C8	C12	H12	0.0°	0.0°
C4	C9	C12	H9	180.0°	180.0°
C9	C4	C1	C2	179.9°	179.8°
C9	C4	C1	C3	0.4°	0.4°
C9	C4	C1	H4	180.0°	179.7°
C4	C9	C12	H12	179.8°	180.0°
C12	C9	C4	C1	0.3°	0.2°
C12	C9	C4	H4	179.6°	179.9°
H9	C9	C4	C1	179.6°	179.8°
H9	C9	C4	H4	0.4°	0.0°
H9	C9	C12	H12	0.2°	0.0°
C2	C5	C10	H5	180.0°	179.9°
C5	C2	C1	C3	0.5°	0.5°
C5	C2	C1	C4	179.8°	179.9°
C2	C5	C10	O13	180.0°	180.0°
C10	C5	C2	C1	0.2°	0.2°
H5	C5	C2	C1	179.8°	179.7°
H5	C5	C10	O13	0.0°	0.1°
C2	C1	C3	C4	179.7°	179.4°
C2	C1	C4	H4	0.1°	0.5°
C3	C1	C4	H4	179.6°	179.9°
N16	C17	H171	H172	125.3°	119.9°
N16	C17	H171	H173	125.3°	120.0°
N16	C17	H172	H173	118.5°	119.9°
C17	N16	C18	C15	121.6°	113.7°
C17	N16	C18	H181	180.0°	180.0°
C17	N16	C18	H182	54.7°	60.0°
C17	N16	C18	H183	54.7°	60.0°
C17	N16	C15	C14	60.8°	180.0°
C17	N16	C15	H151	64.5°	60.0°
C17	N16	C15	H152	173.9°	60.1°
H171	C17	H172	H173	118.6°	120.1°
H171	C17	N16	C18	180.0°	66.2°
H171	C17	N16	C15	61.3°	180.0°
H172	C17	N16	C18	54.7°	173.8°
H172	C17	N16	C15	173.4°	60.0°
H173	C17	N16	C18	54.7°	53.8°
H173	C17	N16	C15	64.0°	59.9°
N16	C18	H181	H182	125.3°	120.0°
N16	C18	H181	H183	125.3°	120.0°
N16	C18	H182	H183	118.6°	120.1°
C18	N16	C15	C14	179.9°	66.3°
C18	N16	C15	H151	54.6°	53.7°
C18	N16	C15	H152	54.8°	173.8°
H181	C18	H182	H183	118.6°	120.0°
H181	C18	N16	C15	58.4°	66.2°
H182	C18	N16	C15	66.9°	173.8°
H183	C18	N16	C15	176.3°	53.7°
N16	C15	C14	C11	50.8°	180.0°
N16	C15	C14	H151	125.3°	120.0°
N16	C15	C14	H152	125.3°	120.0°
N16	C15	C14	H141	176.1°	60.0°
N16	C15	C14	H142	74.5°	60.0°
N16	C15	H151	H152	116.4°	120.1°
C14	C11	H111	H112	118.9°	120.0°
C11	C14	C15	H141	125.3°	120.0°
C11	C14	C15	H142	125.3°	120.1°
C11	C14	H141	H142	117.2°	120.0°
C11	C14	C15	H151	176.1°	60.0°
C11	C14	C15	H152	74.5°	60.0°
H111	C11	C14	C15	18.6°	60.0°
H111	C11	C14	H141	106.7°	180.0°
H111	C11	C14	H142	143.9°	60.0°
H112	C11	C14	C15	128.1°	60.0°
H112	C11	C14	H141	2.8°	60.0°
H112	C11	C14	H142	106.7°	179.9°
C15	C14	H141	H142	117.2°	120.0°
C14	C15	H151	H152	116.5°	119.9°
H141	C14	C15	H151	58.7°	180.0°
H141	C14	C15	H152	50.8°	60.0°
H142	C14	C15	H151	50.8°	60.1°
H142	C14	C15	H152	160.3°	179.9°

Definition date:	2005-01-12
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2BHJ