CBH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C12	sing	1.34Å	1.25Å
O11	H11	sing	0.97Å	0.95Å
C12	O13	doub	1.21Å	1.25Å
C12	C14	sing	1.51Å	1.54Å
C14	N15	sing	1.47Å	1.47Å
C14	C16	sing	1.53Å	1.54Å
C14	H14	sing	1.09Å	1.12Å
N15	H151	sing	1.01Å	1.02Å
N15	H152	sing	1.01Å	1.02Å
C16	C17	sing	1.53Å	1.53Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.11Å
C17	S18	sing	1.81Å	1.83Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.11Å
S18	C19	sing	1.81Å	1.83Å
C19	C20	sing	1.53Å	1.52Å
C19	H191	sing	1.09Å	1.11Å
C19	H192	sing	1.09Å	1.11Å
C20	C21	sing	1.53Å	1.52Å
C20	H201	sing	1.09Å	1.12Å
C20	H102	sing	1.09Å	1.12Å
C21	C22	sing	1.53Å	1.52Å
C21	H211	sing	1.09Å	1.11Å
C21	H212	sing	1.09Å	1.11Å
C22	C23	sing	1.51Å	1.52Å
C22	H221	sing	1.09Å	1.11Å
C22	H222	sing	1.09Å	1.11Å
C23	O25	doub	1.21Å	1.25Å
C23	O24	sing	1.34Å	1.25Å
O24	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	O11	H11	125.7°	120.0°
O11	C12	O13	125.6°	120.0°
O11	C12	C14	117.1°	120.0°
O13	C12	C14	117.3°	120.1°
C12	C14	N15	109.5°	109.4°
C12	C14	C16	110.9°	109.5°
C12	C14	H14	108.4°	109.4°
N15	C14	C16	109.2°	109.5°
N15	C14	H14	110.1°	109.5°
C14	N15	H151	112.2°	106.7°
C14	N15	H152	109.5°	106.7°
C16	C14	H14	108.7°	109.5°
C14	C16	C17	111.0°	109.5°
C14	C16	H161	111.7°	109.5°
C14	C16	H162	111.6°	109.5°
H151	N15	H152	112.2°	106.8°
C17	C16	H161	111.6°	109.4°
C17	C16	H162	111.6°	109.5°
C16	C17	S18	114.6°	109.5°
C16	C17	H171	110.3°	109.5°
C16	C17	H172	110.3°	109.5°
H161	C16	H162	98.7°	109.5°
S18	C17	H171	110.4°	109.4°
S18	C17	H172	110.3°	109.5°
C17	S18	C19	97.0°	100.1°
H171	C17	H172	99.9°	109.4°
S18	C19	C20	113.9°	109.6°
S18	C19	H191	110.6°	109.5°
S18	C19	H192	110.6°	109.5°
C20	C19	H191	110.5°	109.4°
C20	C19	H192	110.6°	109.5°
C19	C20	C21	109.6°	109.6°
C19	C20	H201	112.2°	109.4°
C19	C20	H102	112.2°	109.5°
H191	C19	H192	99.7°	109.4°
C21	C20	H201	112.2°	109.4°
C21	C20	H102	112.2°	109.5°
C20	C21	C22	111.1°	109.5°
C20	C21	H211	111.6°	109.4°
C20	C21	H212	111.6°	109.5°
H201	C20	H102	98.2°	109.4°
C22	C21	H211	111.6°	109.4°
C22	C21	H212	111.6°	109.5°
C21	C22	C23	109.9°	109.5°
C21	C22	H221	112.1°	109.4°
C21	C22	H222	112.1°	109.5°
H211	C21	H212	98.8°	109.4°
C23	C22	H221	112.0°	109.5°
C23	C22	H222	112.1°	109.5°
C22	C23	O25	116.8°	120.0°
C22	C23	O24	117.2°	120.1°
H221	C22	H222	98.3°	109.4°
O25	C23	O24	126.1°	120.0°
C23	O24	H24	117.2°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C12	O13	C14	179.5°	179.8°
O11	C12	C14	N15	1.9°	150.0°
O11	C12	C14	C16	118.7°	89.9°
O11	C12	C14	H14	122.1°	30.1°
H11	O11	C12	O13	180.0°	0.1°
H11	O11	C12	C14	0.5°	179.9°
O13	C12	C14	N15	177.6°	30.1°
O13	C12	C14	C16	61.8°	89.9°
O13	C12	C14	H14	57.5°	150.1°
C12	C14	N15	C16	121.6°	120.0°
C12	C14	N15	H14	119.1°	119.9°
C12	C14	C16	H14	119.0°	120.0°
C12	C14	N15	H151	54.7°	60.0°
C12	C14	N15	H152	180.0°	173.9°
C12	C14	C16	C17	65.1°	180.0°
C12	C14	C16	H161	60.1°	60.0°
C12	C14	C16	H162	169.6°	60.0°
N15	C14	C16	H14	120.2°	120.0°
C14	N15	H151	H152	123.7°	113.8°
N15	C14	C16	C17	174.1°	60.0°
N15	C14	C16	H161	60.7°	60.0°
N15	C14	C16	H162	48.8°	180.0°
C16	C14	N15	H151	66.9°	60.1°
C16	C14	N15	H152	58.3°	53.8°
C14	C16	C17	H161	125.3°	120.0°
C14	C16	C17	H162	125.3°	120.1°
C14	C16	H161	H162	117.5°	120.1°
C14	C16	C17	S18	179.3°	180.0°
C14	C16	C17	H171	55.4°	60.0°
C14	C16	C17	H172	54.1°	59.9°
H14	C14	N15	H151	173.8°	179.9°
H14	C14	N15	H152	60.9°	66.2°
H14	C14	C16	C17	53.9°	60.1°
H14	C14	C16	H161	179.2°	180.0°
H14	C14	C16	H162	71.4°	60.0°
C17	C16	H161	H162	117.5°	120.0°
C16	C17	S18	H171	125.3°	120.0°
C16	C17	S18	H172	125.2°	120.1°
C16	C17	H171	H172	116.1°	120.0°
C16	C17	S18	C19	171.9°	180.0°
H161	C16	C17	S18	54.1°	60.0°
H161	C16	C17	H171	179.3°	180.0°
H161	C16	C17	H172	71.2°	60.1°
H162	C16	C17	S18	55.4°	59.9°
H162	C16	C17	H171	69.9°	60.0°
H162	C16	C17	H172	179.4°	180.0°
S18	C17	H171	H172	116.2°	120.0°
C17	S18	C19	C20	165.2°	180.0°
C17	S18	C19	H191	39.9°	60.0°
C17	S18	C19	H192	69.6°	59.9°
H171	C17	S18	C19	62.8°	60.0°
H172	C17	S18	C19	46.7°	59.9°
S18	C19	C20	H191	125.3°	120.0°
S18	C19	C20	H192	125.3°	120.1°
S18	C19	H191	H192	116.5°	120.0°
S18	C19	C20	C21	167.5°	180.0°
S18	C19	C20	H201	67.2°	60.0°
S18	C19	C20	H102	42.2°	59.9°
C20	C19	H191	H192	116.4°	120.0°
C19	C20	C21	H201	125.3°	120.0°
C19	C20	C21	H102	125.3°	120.2°
C19	C20	H201	H102	118.1°	120.0°
C19	C20	C21	C22	173.4°	180.0°
C19	C20	C21	H211	48.1°	60.0°
C19	C20	C21	H212	61.4°	59.9°
H191	C19	C20	C21	42.2°	60.0°
H191	C19	C20	H201	167.5°	180.0°
H191	C19	C20	H102	83.1°	60.1°
H192	C19	C20	C21	67.3°	59.9°
H192	C19	C20	H201	58.0°	60.1°
H192	C19	C20	H102	167.5°	180.0°
C21	C20	H201	H102	118.1°	120.0°
C20	C21	C22	H211	125.2°	120.0°
C20	C21	C22	H212	125.3°	120.1°
C20	C21	H211	H212	117.5°	120.0°
C20	C21	C22	C23	166.1°	180.0°
C20	C21	C22	H221	68.7°	60.0°
C20	C21	C22	H222	40.8°	59.9°
H201	C20	C21	C22	61.4°	60.0°
H201	C20	C21	H211	173.4°	180.0°
H201	C20	C21	H212	63.9°	60.0°
H102	C20	C21	C22	48.1°	59.9°
H102	C20	C21	H211	77.2°	60.1°
H102	C20	C21	H212	173.4°	179.9°
C22	C21	H211	H212	117.5°	120.0°
C21	C22	C23	H221	125.3°	120.0°
C21	C22	C23	H222	125.3°	120.1°
C21	C22	H221	H222	118.0°	120.0°
C21	C22	C23	O25	77.9°	0.1°
C21	C22	C23	O24	101.5°	180.0°
H211	C21	C22	C23	40.9°	60.0°
H211	C21	C22	H221	166.1°	180.0°
H211	C21	C22	H222	84.5°	60.1°
H212	C21	C22	C23	68.6°	59.9°
H212	C21	C22	H221	56.6°	60.1°
H212	C21	C22	H222	166.1°	180.0°
C23	C22	H221	H222	118.0°	120.0°
C22	C23	O25	O24	179.3°	179.9°
C22	C23	O24	H24	180.0°	180.0°
H221	C22	C23	O25	156.8°	120.1°
H221	C22	C23	O24	23.8°	60.0°
H222	C22	C23	O25	47.4°	120.0°
H222	C22	C23	O24	133.2°	59.9°
O25	C23	O24	H24	0.7°	0.0°

Definition date:	2002-06-05
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB