TFC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	H11	sing	1.09Å	1.10Å
C1	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C2	C3	sing	1.53Å	1.53Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.53Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.53Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.53Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.53Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	S1	sing	1.81Å	1.83Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
S1	C9	sing	1.81Å	1.83Å
C9	C10	sing	1.51Å	1.53Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	O1	doub	1.21Å	1.43Å
C10	C11	sing	1.51Å	1.53Å
C11	F1	sing	1.40Å	1.33Å
C11	F2	sing	1.40Å	1.33Å
C11	F3	sing	1.40Å	1.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H11	109.5°	109.5°
C2	C1	H12	109.4°	109.5°
C2	C1	H13	109.4°	109.5°
C1	C2	C3	110.6°	109.5°
C1	C2	H21	109.1°	109.5°
C1	C2	H22	108.9°	109.4°
H11	C1	H12	109.4°	109.4°
H11	C1	H13	109.5°	109.5°
H12	C1	H13	109.6°	109.5°
C3	C2	H21	109.1°	109.5°
C3	C2	H22	108.9°	109.5°
C2	C3	C4	111.9°	109.5°
C2	C3	H31	108.7°	109.4°
C2	C3	H32	108.1°	109.5°
H21	C2	H22	110.3°	109.5°
C4	C3	H31	108.7°	109.5°
C4	C3	H32	108.2°	109.5°
C3	C4	C5	110.8°	109.4°
C3	C4	H41	109.0°	109.5°
C3	C4	H42	108.7°	109.5°
H31	C3	H32	111.4°	109.4°
C5	C4	H41	109.0°	109.4°
C5	C4	H42	108.7°	109.5°
C4	C5	C6	110.0°	109.4°
C4	C5	H51	109.3°	109.5°
C4	C5	H52	109.1°	109.5°
H41	C4	H42	110.5°	109.5°
C6	C5	H51	109.3°	109.5°
C6	C5	H52	109.2°	109.4°
C5	C6	C7	113.3°	109.5°
C5	C6	H61	108.2°	109.5°
C5	C6	H62	107.4°	109.5°
H51	C5	H52	109.9°	109.5°
C7	C6	H61	108.2°	109.4°
C7	C6	H62	107.4°	109.5°
C6	C7	C8	113.6°	109.5°
C6	C7	H71	108.1°	109.5°
C6	C7	H72	107.2°	109.5°
H61	C6	H62	112.5°	109.4°
C8	C7	H71	108.1°	109.4°
C8	C7	H72	107.2°	109.5°
C7	C8	S1	110.6°	109.5°
C7	C8	H81	109.1°	109.4°
C7	C8	H82	108.8°	109.5°
H71	C7	H72	112.8°	109.5°
S1	C8	H81	109.1°	109.5°
S1	C8	H82	108.8°	109.5°
C8	S1	C9	101.1°	100.0°
H81	C8	H82	110.4°	109.5°
S1	C9	C10	113.2°	109.5°
S1	C9	H91	108.2°	109.5°
S1	C9	H92	107.4°	109.5°
C10	C9	H91	108.2°	109.4°
C10	C9	H92	107.4°	109.4°
C9	C10	O1	108.3°	120.0°
C9	C10	C11	115.2°	120.0°
H91	C9	H92	112.5°	109.5°
O1	C10	C11	109.8°	120.0°
C10	C11	F1	109.2°	109.5°
C10	C11	F2	110.9°	109.5°
C10	C11	F3	112.0°	109.5°
F1	C11	F2	107.2°	109.5°
F1	C11	F3	108.7°	109.4°
F2	C11	F3	108.7°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H11	H12	120.0°	120.0°
C2	C1	H11	H13	120.0°	120.0°
C2	C1	H12	H13	120.0°	120.0°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	119.6°	120.0°
C1	C2	H21	H22	119.5°	119.9°
C1	C2	C3	C4	174.9°	180.0°
C1	C2	C3	H31	65.2°	60.0°
C1	C2	C3	H32	55.9°	60.0°
H11	C1	H12	H13	120.0°	120.0°
H11	C1	C2	C3	36.9°	60.0°
H11	C1	C2	H21	156.9°	60.0°
H11	C1	C2	H22	82.7°	180.0°
H12	C1	C2	C3	156.8°	60.0°
H12	C1	C2	H21	83.2°	180.0°
H12	C1	C2	H22	37.3°	60.0°
H13	C1	C2	C3	83.1°	180.0°
H13	C1	C2	H21	36.9°	60.0°
H13	C1	C2	H22	157.3°	60.0°
C3	C2	H21	H22	119.6°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	119.0°	120.0°
C2	C3	H31	H32	119.0°	119.9°
C2	C3	C4	C5	178.8°	180.0°
C2	C3	C4	H41	58.8°	60.1°
C2	C3	C4	H42	61.7°	60.0°
H21	C2	C3	C4	54.8°	60.0°
H21	C2	C3	H31	174.8°	180.0°
H21	C2	C3	H32	64.1°	60.1°
H22	C2	C3	C4	65.6°	60.0°
H22	C2	C3	H31	54.4°	60.0°
H22	C2	C3	H32	175.4°	179.9°
C4	C3	H31	H32	119.1°	120.1°
C3	C4	C5	H41	120.0°	119.9°
C3	C4	C5	H42	119.4°	120.0°
C3	C4	H41	H42	119.4°	120.1°
C3	C4	C5	C6	67.0°	180.0°
C3	C4	C5	H51	53.0°	60.1°
C3	C4	C5	H52	173.2°	60.0°
H31	C3	C4	C5	61.2°	60.0°
H31	C3	C4	H41	178.8°	179.9°
H31	C3	C4	H42	58.2°	60.0°
H32	C3	C4	C5	59.9°	60.0°
H32	C3	C4	H41	60.2°	59.9°
H32	C3	C4	H42	179.3°	180.0°
C5	C4	H41	H42	119.5°	120.0°
C4	C5	C6	H51	120.0°	120.0°
C4	C5	C6	H52	119.7°	120.0°
C4	C5	H51	H52	119.7°	120.1°
C4	C5	C6	C7	167.8°	180.0°
C4	C5	C6	H61	72.2°	60.0°
C4	C5	C6	H62	49.5°	60.0°
H41	C4	C5	C6	173.0°	60.0°
H41	C4	C5	H51	67.0°	180.0°
H41	C4	C5	H52	53.2°	59.9°
H42	C4	C5	C6	52.4°	60.0°
H42	C4	C5	H51	172.4°	60.0°
H42	C4	C5	H52	67.4°	179.9°
C6	C5	H51	H52	119.8°	120.0°
C5	C6	C7	H61	120.0°	120.0°
C5	C6	C7	H62	118.4°	120.0°
C5	C6	H61	H62	118.5°	120.1°
C5	C6	C7	C8	64.7°	180.0°
C5	C6	C7	H71	175.3°	60.0°
C5	C6	C7	H72	53.5°	60.0°
H51	C5	C6	C7	47.8°	60.0°
H51	C5	C6	H61	167.8°	180.0°
H51	C5	C6	H62	70.5°	60.0°
H52	C5	C6	C7	72.4°	60.0°
H52	C5	C6	H61	47.6°	60.0°
H52	C5	C6	H62	169.2°	180.0°
C7	C6	H61	H62	118.4°	119.9°
C6	C7	C8	H71	120.0°	120.0°
C6	C7	C8	H72	118.2°	120.1°
C6	C7	H71	H72	118.3°	120.0°
C6	C7	C8	S1	167.0°	180.0°
C6	C7	C8	H81	73.0°	60.0°
C6	C7	C8	H82	47.5°	59.9°
H61	C6	C7	C8	55.3°	60.0°
H61	C6	C7	H71	64.7°	179.9°
H61	C6	C7	H72	173.4°	60.1°
H62	C6	C7	C8	176.9°	59.9°
H62	C6	C7	H71	56.9°	60.0°
H62	C6	C7	H72	64.9°	180.0°
C8	C7	H71	H72	118.3°	120.0°
C7	C8	S1	H81	120.0°	120.0°
C7	C8	S1	H82	119.5°	120.0°
C7	C8	H81	H82	119.5°	119.9°
C7	C8	S1	C9	155.7°	180.0°
H71	C7	C8	S1	47.1°	60.0°
H71	C7	C8	H81	167.1°	180.0°
H71	C7	C8	H82	72.5°	60.0°
H72	C7	C8	S1	74.8°	59.9°
H72	C7	C8	H81	45.2°	60.1°
H72	C7	C8	H82	165.7°	180.0°
S1	C8	H81	H82	119.5°	120.0°
C8	S1	C9	C10	142.7°	180.0°
C8	S1	C9	H91	22.7°	60.0°
C8	S1	C9	H92	99.0°	60.0°
H81	C8	S1	C9	35.7°	60.0°
H82	C8	S1	C9	84.7°	60.0°
S1	C9	C10	H91	120.0°	120.0°
S1	C9	C10	H92	118.4°	120.0°
S1	C9	H91	H92	118.5°	120.0°
S1	C9	C10	O1	52.2°	0.0°
S1	C9	C10	C11	71.1°	180.0°
C10	C9	H91	H92	118.5°	120.0°
C9	C10	O1	C11	126.6°	180.0°
C9	C10	C11	F1	176.2°	120.0°
C9	C10	C11	F2	58.3°	0.0°
C9	C10	C11	F3	63.3°	120.0°
H91	C9	C10	O1	172.2°	120.0°
H91	C9	C10	C11	48.8°	60.0°
H92	C9	C10	O1	66.2°	120.0°
H92	C9	C10	C11	170.5°	60.0°
O1	C10	C11	F1	61.2°	60.0°
O1	C10	C11	F2	179.2°	180.0°
O1	C10	C11	F3	59.2°	60.0°
C10	C11	F1	F2	120.3°	120.0°
C10	C11	F1	F3	122.4°	120.0°
C10	C11	F2	F3	123.5°	120.0°
F1	C11	F2	F3	117.3°	120.0°

Definition date:	2006-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2FJ0