CNL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.58Å
C1	C6	sing	1.53Å	1.59Å
C1	C7	sing	1.53Å	1.53Å
C1	O	sing	1.42Å	1.51Å
C2	C3	sing	1.53Å	1.60Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.61Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C4	C5	sing	1.53Å	1.59Å
C4	C8	sing	1.53Å	1.61Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.61Å
C5	H51	sing	1.09Å	1.11Å
C5	H52	sing	1.09Å	1.12Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C7	H73	sing	1.09Å	1.11Å
C8	C9	sing	1.53Å	1.54Å
C8	C10	sing	1.53Å	1.53Å
C8	O	sing	1.40Å	1.49Å
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	1.12Å
C10	H102	sing	1.09Å	1.12Å
C10	H103	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	106.8°	110.0°
C2	C1	C7	110.8°	108.7°
C2	C1	O	107.4°	110.1°
C1	C2	C3	110.4°	108.7°
C1	C2	H21	111.8°	109.7°
C1	C2	H22	111.8°	109.6°
C6	C1	C7	111.4°	108.7°
C6	C1	O	108.0°	110.5°
C1	C6	C5	110.4°	108.6°
C1	C6	H61	111.9°	109.6°
C1	C6	H62	111.9°	109.6°
C7	C1	O	112.2°	108.8°
C1	C7	H71	110.8°	109.5°
C1	C7	H72	111.7°	109.4°
C1	C7	H73	111.7°	109.5°
C1	O	C8	118.1°	111.7°
C3	C2	H21	111.9°	109.6°
C3	C2	H22	111.8°	109.5°
C2	C3	C4	110.6°	107.9°
C2	C3	H31	111.8°	109.9°
C2	C3	H32	111.8°	109.8°
H21	C2	H22	98.6°	109.7°
C4	C3	H31	111.8°	109.8°
C4	C3	H32	111.8°	109.8°
C3	C4	C5	105.3°	108.7°
C3	C4	C8	108.1°	108.8°
C3	C4	H4	113.0°	110.0°
H31	C3	H32	98.6°	109.8°
C5	C4	C8	109.3°	108.8°
C5	C4	H4	111.8°	109.9°
C4	C5	C6	110.3°	107.9°
C4	C5	H51	111.9°	109.8°
C4	C5	H52	111.9°	109.8°
C8	C4	H4	109.2°	110.5°
C4	C8	C9	113.2°	109.0°
C4	C8	C10	115.3°	109.0°
C4	C8	O	108.4°	111.7°
C6	C5	H51	111.9°	109.7°
C6	C5	H52	111.9°	109.8°
C5	C6	H61	111.8°	109.7°
C5	C6	H62	111.9°	109.6°
H51	C5	H52	98.5°	109.8°
H61	C6	H62	98.5°	109.8°
H71	C7	H72	111.7°	109.5°
H71	C7	H73	111.7°	109.5°
H72	C7	H73	98.7°	109.4°
C9	C8	C10	102.2°	108.9°
C9	C8	O	109.0°	109.5°
C8	C9	H91	113.2°	109.5°
C8	C9	H92	110.8°	109.5°
C8	C9	H93	110.8°	109.5°
C10	C8	O	108.5°	108.7°
C8	C10	H101	115.3°	109.4°
C8	C10	H102	110.1°	109.5°
C8	C10	H103	110.1°	109.5°
H91	C9	H92	110.8°	109.5°
H91	C9	H93	110.9°	109.4°
H92	C9	H93	99.5°	109.5°
H101	C10	H102	110.0°	109.5°
H101	C10	H103	110.1°	109.4°
H102	C10	H103	100.1°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	121.1°	118.9°
C2	C1	C6	O	115.3°	121.8°
C2	C1	C7	O	120.1°	119.9°
C1	C2	C3	H21	125.2°	119.9°
C1	C2	C3	H22	125.2°	119.7°
C1	C2	H21	H22	117.8°	120.4°
C1	C2	C3	C4	0.9°	0.3°
C1	C2	C3	H31	124.3°	120.0°
C1	C2	C3	H32	126.1°	119.2°
C2	C1	C6	C5	59.8°	60.0°
C2	C1	C6	H61	174.9°	179.8°
C2	C1	C6	H62	65.5°	59.7°
C2	C1	C7	H71	180.0°	179.8°
C2	C1	C7	H72	54.8°	60.2°
C2	C1	C7	H73	54.8°	59.7°
C2	C1	O	C8	57.8°	62.0°
C6	C1	C7	O	121.2°	120.4°
C6	C1	C2	C3	59.7°	61.4°
C6	C1	C2	H21	65.6°	58.4°
C6	C1	C2	H22	175.1°	178.9°
C1	C6	C5	C4	1.1°	2.6°
C1	C6	C5	H61	125.2°	119.7°
C1	C6	C5	H62	125.3°	119.7°
C1	C6	C5	H51	124.2°	122.2°
C1	C6	C5	H52	126.3°	117.1°
C1	C6	H61	H62	117.8°	120.4°
C6	C1	C7	H71	61.2°	60.0°
C6	C1	C7	H72	173.5°	180.0°
C6	C1	C7	H73	64.0°	60.0°
C6	C1	O	C8	57.0°	59.7°
C7	C1	C2	C3	178.8°	179.6°
C7	C1	C2	H21	55.9°	60.5°
C7	C1	C2	H22	53.6°	60.0°
C7	C1	C6	C5	179.0°	179.0°
C7	C1	C6	H61	53.8°	61.2°
C7	C1	C6	H62	55.7°	59.3°
C1	C7	H71	H72	125.3°	119.9°
C1	C7	H71	H73	125.2°	120.0°
C1	C7	H72	H73	117.7°	120.0°
C7	C1	O	C8	179.8°	179.0°
O	C1	C2	C3	56.0°	60.6°
O	C1	C2	H21	178.8°	179.6°
O	C1	C2	H22	69.3°	59.1°
C1	O	C8	C4	0.1°	1.7°
O	C1	C6	C5	55.4°	61.7°
O	C1	C6	H61	69.8°	58.0°
O	C1	C6	H62	179.3°	178.6°
O	C1	C7	H71	59.9°	60.4°
O	C1	C7	H72	65.3°	59.6°
O	C1	C7	H73	174.8°	179.6°
C1	O	C8	C9	123.5°	119.2°
C1	O	C8	C10	125.9°	122.0°
C3	C2	H21	H22	117.8°	120.3°
C2	C3	C4	H31	125.2°	119.7°
C2	C3	C4	H32	125.2°	119.6°
C2	C3	H31	H32	117.7°	120.8°
C2	C3	C4	C5	61.1°	63.0°
C2	C3	C4	C8	55.7°	55.4°
C2	C3	C4	H4	176.6°	176.6°
H21	C2	C3	C4	126.1°	120.2°
H21	C2	C3	H31	0.9°	120.2°
H21	C2	C3	H32	108.6°	0.6°
H22	C2	C3	C4	124.3°	119.4°
H22	C2	C3	H31	110.5°	0.2°
H22	C2	C3	H32	0.9°	121.1°
C4	C3	H31	H32	117.7°	120.7°
C3	C4	C5	C8	115.9°	118.4°
C3	C4	C5	H4	123.1°	120.5°
C3	C4	C8	H4	123.3°	120.9°
C3	C4	C5	C6	60.7°	64.3°
C3	C4	C5	H51	64.6°	176.1°
C3	C4	C5	H52	174.0°	55.3°
C3	C4	C8	C9	63.9°	179.3°
C3	C4	C8	C10	178.9°	61.9°
C3	C4	C8	O	57.1°	58.2°
H31	C3	C4	C5	64.2°	177.3°
H31	C3	C4	C8	179.1°	64.3°
H31	C3	C4	H4	58.1°	56.9°
H32	C3	C4	C5	173.7°	56.6°
H32	C3	C4	C8	69.6°	175.0°
H32	C3	C4	H4	51.4°	63.9°
C5	C4	C8	H4	122.6°	120.8°
C4	C5	C6	H51	125.3°	119.6°
C4	C5	C6	H52	125.3°	119.6°
C4	C5	H51	H52	117.8°	120.8°
C4	C5	C6	H61	124.2°	117.1°
C4	C5	C6	H62	126.4°	122.3°
C5	C4	C8	C9	178.0°	61.0°
C5	C4	C8	C10	64.8°	179.8°
C5	C4	C8	O	57.0°	60.2°
C8	C4	C5	C6	55.2°	54.0°
C8	C4	C5	H51	179.5°	65.5°
C8	C4	C5	H52	70.1°	173.6°
C4	C8	C9	C10	124.6°	118.8°
C4	C8	C9	O	120.7°	122.5°
C4	C8	C10	O	121.7°	121.9°
C4	C8	C9	H91	180.0°	59.9°
C4	C8	C9	H92	54.8°	180.0°
C4	C8	C9	H93	54.8°	60.0°
C4	C8	C10	H101	180.0°	60.0°
C4	C8	C10	H102	54.7°	180.0°
C4	C8	C10	H103	54.7°	60.0°
H4	C4	C5	C6	176.2°	175.2°
H4	C4	C5	H51	58.5°	55.6°
H4	C4	C5	H52	51.0°	65.2°
H4	C4	C8	C9	59.4°	59.8°
H4	C4	C8	C10	57.8°	59.0°
H4	C4	C8	O	179.6°	179.0°
C6	C5	H51	H52	117.8°	120.7°
C5	C6	H61	H62	117.8°	120.5°
H51	C5	C6	H61	110.5°	2.5°
H51	C5	C6	H62	1.1°	118.1°
H52	C5	C6	H61	1.1°	123.2°
H52	C5	C6	H62	108.4°	2.7°
H71	C7	H72	H73	117.6°	120.1°
C9	C8	C10	O	115.1°	119.2°
C8	C9	H91	H92	125.2°	120.1°
C8	C9	H91	H93	125.3°	119.9°
C8	C9	H92	H93	116.7°	120.0°
C9	C8	C10	H101	56.8°	178.8°
C9	C8	C10	H102	178.0°	61.2°
C9	C8	C10	H103	68.5°	58.9°
C10	C8	C9	H91	55.3°	58.9°
C10	C8	C9	H92	69.8°	61.2°
C10	C8	C9	H93	179.4°	178.8°
C8	C10	H101	H102	125.3°	120.0°
C8	C10	H101	H103	125.3°	120.0°
C8	C10	H102	H103	115.9°	120.0°
O	C8	C9	H91	59.4°	177.6°
O	C8	C9	H92	175.5°	57.5°
O	C8	C9	H93	65.9°	62.5°
O	C8	C10	H101	58.3°	62.0°
O	C8	C10	H102	67.0°	58.0°
O	C8	C10	H103	176.4°	178.1°
H91	C9	H92	H93	116.8°	119.9°
H101	C10	H102	H103	115.9°	120.0°

Definition date:	2005-04-04
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1T2B