CAH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.54Å	1.52Å
C1	C6	sing	1.56Å	1.54Å
C1	C7	sing	1.57Å	1.54Å
C1	C10	sing	1.53Å	1.53Å
C2	O2	doub	1.21Å	1.23Å
C2	C3	sing	1.52Å	1.49Å
C3	C4	sing	1.56Å	1.54Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.56Å	1.56Å
C4	C7	sing	1.57Å	1.53Å
C4	H4	sing	1.09Å	1.12Å
C5	O5	sing	1.43Å	1.43Å
C5	C6	sing	1.56Å	1.56Å
C5	H5	sing	1.09Å	1.12Å
O5	HO5	sing	0.97Å	0.95Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.53Å
C7	C9	sing	1.53Å	1.54Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å
C10	H101	sing	1.09Å	1.11Å
C10	H102	sing	1.09Å	1.11Å
C10	H103	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	107.3°	104.6°
C2	C1	C7	95.9°	100.7°
C2	C1	C10	112.3°	115.8°
C1	C2	O2	123.2°	127.3°
C1	C2	C3	113.1°	105.4°
C6	C1	C7	102.4°	100.7°
C6	C1	C10	121.0°	116.5°
C1	C6	C5	99.7°	104.6°
C1	C6	H61	116.0°	110.5°
C1	C6	H62	115.9°	110.4°
C7	C1	C10	114.7°	116.2°
C1	C7	C4	96.0°	95.8°
C1	C7	C8	113.0°	112.1°
C1	C7	C9	110.9°	112.1°
C1	C10	H101	112.3°	109.5°
C1	C10	H102	111.1°	109.5°
C1	C10	H103	111.1°	109.4°
O2	C2	C3	123.6°	127.3°
C2	C3	C4	96.9°	104.9°
C2	C3	H31	117.1°	110.4°
C2	C3	H32	117.1°	110.4°
C4	C3	H31	117.1°	110.3°
C4	C3	H32	117.1°	110.3°
C3	C4	C5	104.9°	105.0°
C3	C4	C7	102.2°	100.2°
C3	C4	H4	114.2°	116.1°
H31	C3	H32	93.2°	110.4°
C5	C4	C7	101.2°	100.6°
C5	C4	H4	115.1°	116.1°
C4	C5	O5	109.2°	111.6°
C4	C5	C6	106.9°	103.9°
C4	C5	H5	111.5°	110.0°
C7	C4	H4	117.4°	116.4°
C4	C7	C8	110.9°	112.1°
C4	C7	C9	111.6°	112.1°
O5	C5	C6	110.0°	110.4°
O5	C5	H5	108.5°	110.3°
C5	O5	HO5	109.2°	106.8°
C6	C5	H5	110.8°	110.4°
C5	C6	H61	115.9°	110.8°
C5	C6	H62	116.0°	109.9°
H61	C6	H62	94.5°	110.5°
C8	C7	C9	113.3°	111.7°
C7	C8	H81	113.0°	109.5°
C7	C8	H82	111.0°	109.5°
C7	C8	H83	110.9°	109.5°
C7	C9	H91	110.8°	109.5°
C7	C9	H92	111.7°	109.5°
C7	C9	H93	111.7°	109.5°
H81	C8	H82	110.9°	109.5°
H81	C8	H83	110.9°	109.5°
H82	C8	H83	99.4°	109.5°
H91	C9	H92	111.7°	109.4°
H91	C9	H93	111.7°	109.5°
H92	C9	H93	98.7°	109.5°
H101	C10	H102	111.2°	109.5°
H101	C10	H103	111.2°	109.5°
H102	C10	H103	99.2°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	100.3°	104.2°
C2	C1	C6	C10	130.6°	129.1°
C2	C1	C7	C10	117.9°	126.0°
C1	C2	O2	C3	176.2°	179.9°
C1	C2	C3	C4	4.1°	0.3°
C1	C2	C3	H31	121.2°	118.5°
C1	C2	C3	H32	129.4°	119.1°
C2	C1	C7	C4	51.3°	53.4°
C2	C1	C6	C5	58.9°	71.0°
C2	C1	C6	H61	66.3°	48.2°
C2	C1	C6	H62	175.8°	170.8°
C2	C1	C7	C8	64.4°	63.3°
C2	C1	C7	C9	167.2°	170.1°
C2	C1	C10	H101	180.0°	61.0°
C2	C1	C10	H102	54.7°	59.0°
C2	C1	C10	H103	54.7°	179.0°
C6	C1	C7	C10	132.9°	126.8°
C6	C1	C2	O2	109.2°	109.9°
C6	C1	C2	C3	74.2°	70.2°
C1	C6	C5	C4	9.5°	1.2°
C6	C1	C7	C4	57.8°	53.9°
C1	C6	C5	O5	127.9°	118.5°
C1	C6	C5	H61	125.3°	119.0°
C1	C6	C5	H62	125.2°	118.5°
C1	C6	C5	H5	112.2°	119.2°
C1	C6	H61	H62	121.8°	122.5°
C6	C1	C7	C8	173.5°	170.6°
C6	C1	C7	C9	58.1°	62.8°
C6	C1	C10	H101	51.7°	62.5°
C6	C1	C10	H102	73.6°	177.5°
C6	C1	C10	H103	176.9°	57.5°
C7	C1	C2	O2	145.9°	145.9°
C7	C1	C2	C3	30.7°	34.0°
C1	C7	C4	C3	58.9°	52.8°
C1	C7	C4	C5	49.3°	54.8°
C1	C7	C4	C8	117.4°	116.7°
C1	C7	C4	C9	115.3°	116.7°
C1	C7	C4	H4	175.4°	178.9°
C7	C1	C6	C5	41.4°	33.2°
C7	C1	C6	H61	166.6°	152.4°
C7	C1	C6	H62	83.9°	85.0°
C1	C7	C8	C9	127.1°	126.8°
C1	C7	C8	H81	180.0°	173.9°
C1	C7	C8	H82	54.7°	66.1°
C1	C7	C8	H83	54.7°	53.9°
C1	C7	C9	H91	180.0°	173.9°
C1	C7	C9	H92	54.8°	53.9°
C1	C7	C9	H93	54.7°	66.1°
C7	C1	C10	H101	71.8°	179.0°
C7	C1	C10	H102	162.9°	59.0°
C7	C1	C10	H103	53.4°	61.0°
C10	C1	C2	O2	26.1°	19.7°
C10	C1	C2	C3	150.5°	160.3°
C10	C1	C7	C4	169.3°	179.3°
C10	C1	C6	C5	170.5°	159.8°
C10	C1	C6	H61	64.3°	80.9°
C10	C1	C6	H62	45.3°	41.7°
C10	C1	C7	C8	53.6°	62.6°
C10	C1	C7	C9	74.9°	64.0°
C1	C10	H101	H102	125.3°	120.0°
C1	C10	H101	H103	125.2°	119.9°
C1	C10	H102	H103	117.0°	119.9°
O2	C2	C3	C4	179.3°	179.6°
O2	C2	C3	H31	55.4°	61.5°
O2	C2	C3	H32	54.0°	60.8°
C2	C3	C4	H31	125.3°	118.9°
C2	C3	C4	H32	125.3°	118.8°
C2	C3	H31	H32	122.8°	122.3°
C2	C3	C4	C5	66.9°	70.6°
C2	C3	C4	C7	38.3°	33.4°
C2	C3	C4	H4	166.1°	159.7°
C4	C3	H31	H32	122.8°	122.2°
C3	C4	C5	C7	106.0°	103.7°
C3	C4	C5	H4	126.4°	129.7°
C3	C4	C7	H4	125.7°	126.1°
C3	C4	C5	O5	160.5°	172.5°
C3	C4	C5	C6	80.6°	68.5°
C3	C4	C5	H5	40.6°	49.6°
C3	C4	C7	C8	58.5°	63.9°
C3	C4	C7	C9	174.1°	169.5°
H31	C3	C4	C5	167.8°	48.3°
H31	C3	C4	C7	87.0°	152.3°
H31	C3	C4	H4	40.8°	81.4°
H32	C3	C4	C5	58.3°	170.6°
H32	C3	C4	C7	163.6°	85.4°
H32	C3	C4	H4	68.6°	40.9°
C5	C4	C7	H4	126.1°	126.3°
C4	C5	O5	C6	117.0°	115.0°
C4	C5	O5	H5	121.7°	122.7°
C4	C5	C6	H5	121.6°	117.9°
C4	C5	O5	HO5	179.9°	176.4°
C4	C5	C6	H61	134.7°	117.8°
C4	C5	C6	H62	115.8°	119.8°
C5	C4	C7	C8	166.7°	171.5°
C5	C4	C7	C9	66.0°	61.9°
C7	C4	C5	O5	93.5°	83.8°
C7	C4	C5	C6	25.5°	35.2°
C7	C4	C5	H5	146.7°	153.4°
C4	C7	C8	C9	126.4°	126.8°
C4	C7	C8	H81	73.5°	67.5°
C4	C7	C8	H82	161.2°	172.5°
C4	C7	C8	H83	51.7°	52.5°
C4	C7	C9	H91	74.3°	67.5°
C4	C7	C9	H92	51.0°	52.5°
C4	C7	C9	H93	160.5°	172.5°
H4	C4	C5	O5	34.1°	42.8°
H4	C4	C5	C6	153.1°	161.8°
H4	C4	C5	H5	85.7°	80.1°
H4	C4	C7	C8	67.2°	62.1°
H4	C4	C7	C9	60.1°	64.4°
O5	C5	C6	H5	119.9°	122.3°
O5	C5	C6	H61	106.9°	122.4°
O5	C5	C6	H62	2.6°	0.0°
C6	C5	O5	HO5	63.1°	61.4°
C5	C6	H61	H62	121.8°	122.0°
H5	C5	O5	HO5	58.3°	60.9°
H5	C5	C6	H61	13.1°	0.1°
H5	C5	C6	H62	122.6°	122.3°
C7	C8	H81	H82	125.3°	120.0°
C7	C8	H81	H83	125.3°	120.0°
C7	C8	H82	H83	116.8°	120.0°
C8	C7	C9	H91	51.8°	59.3°
C8	C7	C9	H92	177.0°	179.3°
C8	C7	C9	H93	73.5°	60.7°
C9	C7	C8	H81	52.9°	59.3°
C9	C7	C8	H82	72.4°	60.7°
C9	C7	C8	H83	178.1°	179.3°
C7	C9	H91	H92	125.3°	120.0°
C7	C9	H91	H93	125.3°	120.0°
C7	C9	H92	H93	117.6°	120.0°
H81	C8	H82	H83	116.7°	120.0°
H91	C9	H92	H93	117.6°	120.0°
H101	C10	H102	H103	117.1°	120.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NOO