TSD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O12	sing	0.00Å	1.25Å
C1	O13	doub	0.00Å	1.25Å
C1	C2	sing	0.00Å	1.53Å
C2	C3	sing	0.00Å	1.56Å
C2	D21	sing	0.00Å	1.08Å
C2	D22	sing	0.00Å	1.08Å
C3	SI4	sing	0.00Å	1.82Å
C3	D31	sing	0.00Å	1.08Å
C3	D32	sing	0.00Å	1.08Å
SI4	C4	sing	0.00Å	1.80Å
SI4	C5	sing	0.00Å	1.80Å
SI4	C6	sing	0.00Å	1.80Å
C4	H41	sing	0.00Å	1.08Å
C4	H42	sing	0.00Å	1.08Å
C4	H43	sing	0.00Å	1.08Å
C5	H51	sing	0.00Å	1.08Å
C5	H52	sing	0.00Å	1.08Å
C5	H53	sing	0.00Å	1.08Å
C6	H61	sing	0.00Å	1.08Å
C6	H62	sing	0.00Å	1.08Å
C6	H63	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C1	O13	121.6°	90.0°
O12	C1	C2	119.2°	90.0°
O13	C1	C2	119.2°	90.0°
C1	C2	C3	112.7°	90.0°
C1	C2	D21	108.6°	90.0°
C1	C2	D22	108.6°	90.0°
C3	C2	D21	108.8°	90.0°
C3	C2	D22	108.7°	90.0°
C2	C3	SI4	116.2°	90.0°
C2	C3	D31	107.7°	90.0°
C2	C3	D32	107.6°	90.0°
D21	C2	D22	109.5°	90.0°
SI4	C3	D31	108.4°	90.0°
SI4	C3	D32	108.4°	90.0°
C3	SI4	C4	108.8°	90.0°
C3	SI4	C5	108.6°	90.0°
C3	SI4	C6	108.9°	90.0°
D31	C3	D32	108.4°	90.0°
C4	SI4	C5	110.1°	90.0°
C4	SI4	C6	110.1°	90.0°
SI4	C4	H41	110.8°	90.0°
SI4	C4	H42	110.9°	90.0°
SI4	C4	H43	110.9°	90.0°
C5	SI4	C6	110.2°	90.0°
SI4	C5	H51	110.8°	90.0°
SI4	C5	H52	110.9°	90.0°
SI4	C5	H53	110.8°	90.0°
SI4	C6	H61	110.9°	90.0°
SI4	C6	H62	110.8°	90.0°
SI4	C6	H63	110.8°	90.0°
H41	C4	H42	108.0°	90.0°
H41	C4	H43	108.0°	90.0°
H42	C4	H43	108.1°	90.0°
H51	C5	H52	108.1°	90.0°
H51	C5	H53	108.1°	90.0°
H52	C5	H53	108.1°	90.0°
H61	C6	H62	108.1°	90.0°
H61	C6	H63	108.0°	90.0°
H62	C6	H63	108.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C1	O13	C2	179.2°	90.0°
O12	C1	C2	C3	91.0°	90.0°
O12	C1	C2	D21	148.4°	90.0°
O12	C1	C2	D22	29.5°	90.0°
O13	C1	C2	C3	89.8°	90.0°
O13	C1	C2	D21	30.8°	90.0°
O13	C1	C2	D22	149.8°	90.0°
C1	C2	C3	D21	120.5°	90.0°
C1	C2	C3	D22	120.4°	90.0°
C1	C2	D21	D22	118.4°	90.0°
C1	C2	C3	SI4	176.3°	90.0°
C1	C2	C3	D31	61.9°	90.0°
C1	C2	C3	D32	54.7°	90.0°
C3	C2	D21	D22	118.6°	90.0°
C2	C3	SI4	D31	121.4°	90.0°
C2	C3	SI4	D32	121.2°	90.0°
C2	C3	D31	D32	116.1°	90.0°
C2	C3	SI4	C4	58.5°	90.0°
C2	C3	SI4	C5	178.4°	90.0°
C2	C3	SI4	C6	61.6°	90.0°
D21	C2	C3	SI4	63.2°	90.0°
D21	C2	C3	D31	58.5°	90.0°
D21	C2	C3	D32	175.2°	90.0°
D22	C2	C3	SI4	55.9°	90.0°
D22	C2	C3	D31	177.6°	90.0°
D22	C2	C3	D32	65.7°	90.0°
SI4	C3	D31	D32	117.4°	90.0°
C3	SI4	C4	C5	119.0°	90.0°
C3	SI4	C4	C6	119.3°	90.0°
C3	SI4	C5	C6	119.2°	90.0°
C3	SI4	C4	H41	112.7°	90.0°
C3	SI4	C4	H42	7.3°	90.0°
C3	SI4	C4	H43	127.4°	90.0°
C3	SI4	C5	H51	165.7°	90.0°
C3	SI4	C5	H52	74.2°	90.0°
C3	SI4	C5	H53	45.8°	90.0°
C3	SI4	C6	H61	179.2°	90.0°
C3	SI4	C6	H62	59.2°	90.0°
C3	SI4	C6	H63	60.9°	90.0°
D31	C3	SI4	C4	179.9°	90.0°
D31	C3	SI4	C5	60.2°	90.0°
D31	C3	SI4	C6	59.8°	90.0°
D32	C3	SI4	C4	62.7°	90.0°
D32	C3	SI4	C5	57.2°	90.0°
D32	C3	SI4	C6	177.2°	90.0°
C4	SI4	C5	C6	121.7°	90.0°
SI4	C4	H41	H42	121.7°	90.0°
SI4	C4	H41	H43	121.7°	90.0°
SI4	C4	H42	H43	121.8°	90.0°
C4	SI4	C5	H51	46.6°	90.0°
C4	SI4	C5	H52	166.7°	90.0°
C4	SI4	C5	H53	73.3°	90.0°
C4	SI4	C6	H61	59.9°	90.0°
C4	SI4	C6	H62	60.1°	90.0°
C4	SI4	C6	H63	179.8°	90.0°
C5	SI4	C4	H41	6.3°	90.0°
C5	SI4	C4	H42	126.3°	90.0°
C5	SI4	C4	H43	113.6°	90.0°
SI4	C5	H51	H52	121.7°	90.0°
SI4	C5	H51	H53	121.5°	90.0°
SI4	C5	H52	H53	121.6°	90.0°
C5	SI4	C6	H61	61.7°	90.0°
C5	SI4	C6	H62	178.2°	90.0°
C5	SI4	C6	H63	58.2°	90.0°
C6	SI4	C4	H41	128.0°	90.0°
C6	SI4	C4	H42	112.0°	90.0°
C6	SI4	C4	H43	8.1°	90.0°
C6	SI4	C5	H51	75.0°	90.0°
C6	SI4	C5	H52	45.0°	90.0°
C6	SI4	C5	H53	165.0°	90.0°
SI4	C6	H61	H62	121.6°	90.0°
SI4	C6	H61	H63	121.5°	90.0°
SI4	C6	H62	H63	121.6°	90.0°
H41	C4	H42	H43	116.6°	90.0°
H51	C5	H52	H53	116.8°	90.0°
H61	C6	H62	H63	116.7°	90.0°

Definition date:	2004-07-06
Last modified:	2011-06-08
Release status:	REL
Processing site:	EBI
Derived from:	1TUJ