ADO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.52Å	1.56Å
C1	C8	sing	1.53Å	1.64Å
C1	C9	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C2	C3	sing	1.52Å	1.58Å
C2	O2	doub	1.21Å	1.20Å
C3	C4	sing	1.53Å	1.61Å
C3	C10	sing	1.54Å	1.53Å
C3	H3	sing	1.09Å	1.10Å
C4	C5	sing	1.53Å	1.55Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C5	C6	sing	1.53Å	1.61Å
C5	C9	sing	1.53Å	1.58Å
C5	H5	sing	1.09Å	1.10Å
C6	C7	sing	1.53Å	1.58Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.57Å
C7	C10	sing	1.53Å	1.60Å
C7	H7	sing	1.09Å	1.10Å
C8	H81	sing	1.09Å	1.10Å
C8	H82	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C8	107.1°	107.4°
C2	C1	C9	109.1°	107.3°
C2	C1	H1	111.0°	110.8°
C1	C2	C3	112.1°	114.9°
C1	C2	O2	127.0°	122.6°
C8	C1	C9	108.8°	109.0°
C8	C1	H1	111.3°	111.3°
C1	C8	C7	108.3°	109.9°
C1	C8	H81	110.1°	109.4°
C1	C8	H82	109.9°	109.4°
C9	C1	H1	109.3°	110.8°
C1	C9	C5	112.9°	109.9°
C1	C9	H91	107.6°	109.4°
C1	C9	H92	108.3°	109.4°
C3	C2	O2	120.4°	122.5°
C2	C3	C4	108.4°	107.6°
C2	C3	C10	106.2°	107.1°
C2	C3	H3	112.9°	110.8°
C4	C3	C10	111.1°	109.2°
C4	C3	H3	108.1°	111.4°
C3	C4	C5	110.9°	109.9°
C3	C4	H41	108.6°	109.4°
C3	C4	H42	109.0°	109.5°
C10	C3	H3	110.2°	110.8°
C3	C10	C7	109.9°	109.8°
C3	C10	H101	109.2°	109.5°
C3	C10	H102	109.3°	109.3°
C5	C4	H41	108.7°	109.4°
C5	C4	H42	109.0°	109.3°
C4	C5	C6	107.7°	109.4°
C4	C5	C9	109.3°	110.8°
C4	C5	H5	110.7°	108.6°
H41	C4	H42	110.6°	109.3°
C6	C5	C9	109.6°	109.5°
C6	C5	H5	110.6°	109.3°
C5	C6	C7	107.6°	108.7°
C5	C6	H61	110.5°	109.6°
C5	C6	H62	110.1°	109.5°
C9	C5	H5	108.9°	109.3°
C5	C9	H91	107.6°	109.4°
C5	C9	H92	108.4°	109.4°
C7	C6	H61	110.5°	109.6°
C7	C6	H62	110.1°	109.7°
C6	C7	C8	111.0°	109.5°
C6	C7	C10	113.2°	109.5°
C6	C7	H7	104.9°	109.2°
H61	C6	H62	108.0°	109.7°
C8	C7	C10	106.7°	110.8°
C8	C7	H7	111.7°	109.2°
C7	C8	H81	110.2°	109.4°
C7	C8	H82	109.9°	109.4°
C10	C7	H7	109.4°	108.6°
C7	C10	H101	109.2°	109.4°
C7	C10	H102	109.3°	109.4°
H81	C8	H82	108.5°	109.3°
H91	C9	H92	112.2°	109.3°
H101	C10	H102	109.8°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C8	C9	117.9°	116.0°
C2	C1	C8	H1	121.5°	121.5°
C2	C1	C9	H1	121.6°	121.1°
C1	C2	C3	O2	172.6°	179.8°
C1	C2	C3	C4	57.0°	58.4°
C1	C2	C3	C10	62.4°	58.8°
C1	C2	C3	H3	176.7°	179.7°
C2	C1	C9	C5	58.1°	56.9°
C2	C1	C8	C7	59.4°	56.9°
C2	C1	C8	H81	61.1°	63.2°
C2	C1	C8	H82	179.4°	177.0°
C2	C1	C9	H91	176.7°	177.1°
C2	C1	C9	H92	61.9°	63.2°
C8	C1	C9	H1	121.8°	122.9°
C8	C1	C2	C3	59.5°	58.8°
C8	C1	C2	O2	112.5°	121.5°
C8	C1	C9	C5	58.4°	59.1°
C1	C8	C7	C6	61.5°	60.5°
C1	C8	C7	H81	120.5°	120.2°
C1	C8	C7	H82	120.0°	120.1°
C1	C8	C7	C10	62.3°	60.4°
C1	C8	C7	H7	178.2°	180.0°
C1	C8	H81	H82	120.4°	119.8°
C8	C1	C9	H91	60.1°	61.0°
C8	C1	C9	H92	178.4°	179.2°
C9	C1	C2	C3	58.1°	58.3°
C9	C1	C2	O2	129.9°	121.4°
C1	C9	C5	C4	58.6°	60.4°
C1	C9	C5	C6	59.2°	60.4°
C1	C9	C5	H91	118.5°	120.1°
C1	C9	C5	H92	120.0°	120.2°
C1	C9	C5	H5	179.8°	180.0°
C9	C1	C8	C7	58.4°	59.1°
C9	C1	C8	H81	178.9°	179.2°
C9	C1	C8	H82	61.6°	61.0°
C1	C9	H91	H92	119.0°	119.8°
H1	C1	C2	C3	178.7°	179.4°
H1	C1	C2	O2	9.3°	0.3°
H1	C1	C9	C5	179.7°	178.1°
H1	C1	C8	C7	179.0°	178.4°
H1	C1	C8	H81	60.5°	58.2°
H1	C1	C8	H82	59.0°	61.5°
H1	C1	C9	H91	61.7°	61.8°
H1	C1	C9	H92	59.7°	57.9°
C2	C3	C4	C10	116.2°	115.9°
C2	C3	C4	H3	122.7°	121.5°
C2	C3	C10	H3	122.6°	120.9°
C2	C3	C4	C5	56.6°	56.8°
C2	C3	C4	H41	62.8°	176.9°
C2	C3	C4	H42	176.6°	63.3°
C2	C3	C10	C7	64.5°	57.2°
C2	C3	C10	H101	175.7°	63.0°
C2	C3	C10	H102	55.6°	177.2°
O2	C2	C3	C4	130.5°	121.4°
O2	C2	C3	C10	110.2°	121.4°
O2	C2	C3	H3	10.7°	0.5°
C4	C3	C10	H3	119.8°	123.0°
C3	C4	C5	H41	119.4°	120.1°
C3	C4	C5	H42	120.0°	120.2°
C3	C4	H41	H42	119.6°	119.9°
C3	C4	C5	C6	62.3°	60.5°
C3	C4	C5	C9	56.7°	60.4°
C3	C4	C5	H5	176.7°	179.7°
C4	C3	C10	C7	53.1°	59.0°
C4	C3	C10	H101	66.7°	179.2°
C4	C3	C10	H102	173.1°	61.0°
C10	C3	C4	C5	59.6°	59.1°
C10	C3	C4	H41	179.0°	61.1°
C10	C3	C4	H42	60.4°	179.2°
C3	C10	C7	C6	55.3°	60.3°
C3	C10	C7	C8	67.1°	60.6°
C3	C10	C7	H101	119.8°	120.2°
C3	C10	C7	H102	120.0°	120.0°
C3	C10	C7	H7	171.9°	179.4°
C3	C10	H101	H102	119.8°	119.8°
H3	C3	C4	C5	179.3°	178.3°
H3	C3	C4	H41	59.9°	61.5°
H3	C3	C4	H42	60.7°	58.2°
H3	C3	C10	C7	172.9°	178.0°
H3	C3	C10	H101	53.1°	57.9°
H3	C3	C10	H102	67.0°	61.9°
C5	C4	H41	H42	119.6°	119.7°
C4	C5	C6	C9	118.8°	121.6°
C4	C5	C6	H5	121.1°	118.8°
C4	C5	C9	H5	121.2°	119.6°
C4	C5	C6	C7	61.2°	60.9°
C4	C5	C6	H61	178.1°	179.4°
C4	C5	C6	H62	58.8°	58.9°
C4	C5	C9	H91	177.2°	179.5°
C4	C5	C9	H92	61.4°	59.7°
H41	C4	C5	C6	178.3°	59.7°
H41	C4	C5	C9	62.7°	179.5°
H41	C4	C5	H5	57.4°	59.5°
H42	C4	C5	C6	57.7°	179.3°
H42	C4	C5	C9	176.7°	59.8°
H42	C4	C5	H5	63.3°	60.1°
C6	C5	C9	H5	121.0°	119.7°
C5	C6	C7	H61	120.7°	119.8°
C5	C6	C7	H62	120.0°	119.7°
C5	C6	H61	H62	120.5°	120.3°
C5	C6	C7	C8	61.4°	60.7°
C5	C6	C7	C10	58.5°	60.9°
C5	C6	C7	H7	177.8°	179.7°
C6	C5	C9	H91	59.4°	59.8°
C6	C5	C9	H92	179.2°	179.5°
C9	C5	C6	C7	57.7°	60.7°
C9	C5	C6	H61	63.0°	59.1°
C9	C5	C6	H62	177.7°	179.5°
C5	C9	H91	H92	119.1°	119.7°
H5	C5	C6	C7	177.7°	179.6°
H5	C5	C6	H61	57.0°	60.6°
H5	C5	C6	H62	62.3°	59.8°
H5	C5	C9	H91	61.7°	59.9°
H5	C5	C9	H92	59.8°	59.8°
C7	C6	H61	H62	120.5°	120.5°
C6	C7	C8	C10	123.8°	120.9°
C6	C7	C8	H7	116.7°	119.6°
C6	C7	C10	H7	116.6°	119.1°
C6	C7	C8	H81	178.0°	179.4°
C6	C7	C8	H82	58.5°	59.7°
C6	C7	C10	H101	64.5°	179.4°
C6	C7	C10	H102	175.3°	59.7°
H61	C6	C7	C8	59.3°	59.0°
H61	C6	C7	C10	179.3°	179.3°
H61	C6	C7	H7	61.5°	60.6°
H62	C6	C7	C8	178.5°	179.5°
H62	C6	C7	C10	61.5°	58.8°
H62	C6	C7	H7	57.7°	60.0°
C8	C7	C10	H7	121.0°	120.0°
C7	C8	H81	H82	120.3°	119.8°
C8	C7	C10	H101	173.1°	59.6°
C8	C7	C10	H102	52.9°	179.4°
C10	C7	C8	H81	58.2°	59.7°
C10	C7	C8	H82	177.7°	179.4°
C7	C10	H101	H102	119.9°	119.8°
H7	C7	C8	H81	61.3°	59.8°
H7	C7	C8	H82	58.2°	59.9°
H7	C7	C10	H101	52.2°	60.3°
H7	C7	C10	H102	68.0°	59.5°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	5CPP