W72

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	sing	1.43Å	1.40Å
C1	C2	sing	1.54Å	1.53Å
C1	C5	sing	1.54Å	1.49Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C2	O2	sing	1.43Å	1.36Å
C2	C3	sing	1.54Å	1.50Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C3	N4	sing	1.49Å	1.50Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
N4	C5	sing	1.48Å	1.43Å
N4	C7	sing	1.47Å	1.41Å
C5	C6	sing	1.53Å	1.56Å
C5	H5	sing	1.09Å	1.10Å
C6	O6	sing	1.43Å	1.38Å
C6	H61	sing	1.09Å	1.10Å
C6	H62	sing	1.09Å	1.10Å
O6	HO6	sing	0.97Å	0.95Å
C7	C8	sing	1.53Å	1.50Å
C7	H71	sing	1.09Å	1.10Å
C7	H72	sing	1.09Å	1.10Å
C8	O8	sing	1.43Å	1.42Å
C8	C9	sing	1.53Å	1.51Å
C8	H8	sing	1.09Å	1.10Å
O8	HO8	sing	0.97Å	0.95Å
C9	O9	sing	1.43Å	1.43Å
C9	C10	sing	1.53Å	1.57Å
C9	H9	sing	1.09Å	1.10Å
O9	HO9	sing	0.97Å	0.95Å
C10	O10	sing	1.43Å	1.42Å
C10	C11	sing	1.53Å	1.53Å
C10	H10	sing	1.09Å	1.10Å
O10	HO10	sing	0.97Å	0.95Å
C11	O11	sing	1.43Å	1.45Å
C11	C12	sing	1.51Å	1.56Å
C11	H11	sing	1.09Å	1.10Å
O11	HO11	sing	0.97Å	0.95Å
C12	O12	sing	1.34Å	1.33Å
C12	O13	doub	1.21Å	1.22Å
O12	HO12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	112.7°	110.4°
O1	C1	C5	114.9°	110.3°
O1	C1	H1	100.7°	110.3°
C1	O1	HO1	109.5°	106.7°
C2	C1	C5	98.8°	105.0°
C2	C1	H1	116.3°	110.3°
C1	C2	O2	116.4°	110.3°
C1	C2	C3	102.8°	105.1°
C1	C2	H2	110.6°	110.3°
C5	C1	H1	114.2°	110.4°
C1	C5	N4	107.8°	104.7°
C1	C5	C6	113.4°	110.4°
C1	C5	H5	110.4°	110.4°
O2	C2	C3	112.5°	110.4°
O2	C2	H2	100.5°	110.3°
C2	O2	HO2	109.5°	106.8°
C3	C2	H2	114.6°	110.3°
C2	C3	N4	110.1°	104.7°
C2	C3	H31	109.1°	110.4°
C2	C3	H32	109.3°	110.4°
N4	C3	H31	109.1°	110.5°
N4	C3	H32	109.3°	110.2°
C3	N4	C5	96.2°	104.2°
C3	N4	C7	109.0°	106.7°
H31	C3	H32	109.9°	110.5°
C5	N4	C7	115.2°	106.9°
N4	C5	C6	115.7°	110.4°
N4	C5	H5	107.7°	110.4°
N4	C7	C8	112.0°	109.5°
N4	C7	H71	108.1°	109.5°
N4	C7	H72	108.7°	109.5°
C6	C5	H5	101.4°	110.4°
C5	C6	O6	128.9°	109.5°
C5	C6	H61	98.9°	109.5°
C5	C6	H62	103.4°	109.4°
O6	C6	H61	98.9°	109.5°
O6	C6	H62	103.4°	109.5°
C6	O6	HO6	109.5°	106.8°
H61	C6	H62	126.4°	109.5°
C8	C7	H71	108.1°	109.5°
C8	C7	H72	108.6°	109.4°
C7	C8	O8	105.7°	109.5°
C7	C8	C9	118.0°	109.5°
C7	C8	H8	105.5°	109.4°
H71	C7	H72	111.4°	109.5°
O8	C8	C9	106.7°	109.5°
O8	C8	H8	117.0°	109.5°
C8	O8	HO8	109.5°	106.8°
C9	C8	H8	104.5°	109.5°
C8	C9	O9	103.3°	109.5°
C8	C9	C10	103.4°	109.5°
C8	C9	H9	119.8°	109.5°
O9	C9	C10	116.9°	109.5°
O9	C9	H9	107.0°	109.5°
C9	O9	HO9	109.5°	106.8°
C10	C9	H9	107.0°	109.4°
C9	C10	O10	102.8°	109.5°
C9	C10	C11	120.3°	109.4°
C9	C10	H10	105.2°	109.5°
O10	C10	C11	103.3°	109.5°
O10	C10	H10	121.8°	109.5°
C10	O10	HO10	109.5°	106.8°
C11	C10	H10	104.7°	109.4°
C10	C11	O11	110.9°	109.5°
C10	C11	C12	118.5°	109.5°
C10	C11	H11	101.7°	109.5°
O11	C11	C12	109.0°	109.4°
O11	C11	H11	112.6°	109.5°
C11	O11	HO11	109.5°	106.8°
C12	C11	H11	103.9°	109.5°
C11	C12	O12	123.9°	120.0°
C11	C12	O13	109.3°	120.0°
O12	C12	O13	126.8°	120.0°
C12	O12	HO12	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C5	121.8°	118.9°
O1	C1	C2	H1	115.6°	122.2°
O1	C1	C5	H1	115.7°	122.1°
O1	C1	C2	O2	90.1°	122.1°
O1	C1	C2	C3	146.5°	118.9°
O1	C1	C2	H2	23.7°	0.0°
O1	C1	C5	N4	168.3°	142.8°
O1	C1	C5	C6	62.2°	98.4°
O1	C1	C5	H5	50.8°	23.9°
C2	C1	C5	H1	124.1°	118.9°
C2	C1	O1	HO1	52.4°	64.3°
C1	C2	O2	C3	118.2°	115.7°
C1	C2	O2	H2	119.4°	122.1°
C1	C2	C3	H2	120.0°	118.8°
C1	C2	O2	HO2	20.2°	180.0°
C1	C2	C3	N4	2.7°	23.7°
C1	C2	C3	H31	117.0°	142.6°
C1	C2	C3	H32	122.7°	94.9°
C2	C1	C5	N4	48.1°	23.8°
C2	C1	C5	C6	177.6°	142.6°
C2	C1	C5	H5	69.4°	95.0°
C5	C1	O1	HO1	59.8°	180.0°
C5	C1	C2	O2	148.1°	119.0°
C5	C1	C2	C3	24.7°	0.0°
C5	C1	C2	H2	98.1°	118.9°
C1	C5	N4	C3	48.2°	39.3°
C1	C5	N4	C6	128.2°	118.8°
C1	C5	N4	H5	119.2°	118.8°
C1	C5	N4	C7	162.7°	152.1°
C1	C5	C6	H5	118.4°	122.3°
C1	C5	C6	O6	179.1°	52.0°
C1	C5	C6	H61	71.8°	68.1°
C1	C5	C6	H62	59.1°	172.0°
H1	C1	O1	HO1	177.0°	57.9°
H1	C1	C2	O2	25.5°	0.1°
H1	C1	C2	C3	97.9°	118.9°
H1	C1	C2	H2	139.3°	122.2°
H1	C1	C5	N4	76.1°	95.1°
H1	C1	C5	C6	53.5°	23.7°
H1	C1	C5	H5	166.5°	146.0°
O2	C2	C3	H2	114.0°	122.2°
O2	C2	C3	N4	123.3°	95.2°
O2	C2	C3	H31	117.0°	23.7°
O2	C2	C3	H32	3.3°	146.2°
C3	C2	O2	HO2	138.5°	64.3°
C2	C3	N4	H31	119.8°	118.8°
C2	C3	N4	H32	120.0°	118.8°
C2	C3	H31	H32	119.9°	122.5°
C2	C3	N4	C5	29.9°	39.3°
C2	C3	N4	C7	149.3°	152.2°
H2	C2	O2	HO2	99.1°	57.9°
H2	C2	C3	N4	122.7°	142.6°
H2	C2	C3	H31	3.0°	98.5°
H2	C2	C3	H32	117.3°	24.0°
N4	C3	H31	H32	119.8°	122.3°
C3	N4	C5	C7	114.5°	112.7°
C3	N4	C5	C6	176.4°	158.1°
C3	N4	C5	H5	71.0°	79.5°
C3	N4	C7	C8	83.9°	74.7°
C3	N4	C7	H71	157.2°	45.3°
C3	N4	C7	H72	36.1°	165.3°
H31	C3	N4	C5	89.9°	158.1°
H31	C3	N4	C7	29.5°	89.0°
H32	C3	N4	C5	149.9°	79.5°
H32	C3	N4	C7	90.7°	33.4°
N4	C5	C6	H5	116.2°	122.4°
N4	C5	C6	O6	55.5°	63.3°
N4	C5	C6	H61	53.6°	176.6°
N4	C5	C6	H62	175.5°	56.7°
C5	N4	C7	C8	169.3°	174.3°
C5	N4	C7	H71	50.4°	65.7°
C5	N4	C7	H72	70.7°	54.3°
C7	N4	C5	C6	69.1°	89.1°
C7	N4	C5	H5	43.5°	33.2°
N4	C7	C8	H71	118.9°	120.0°
N4	C7	C8	H72	120.0°	120.0°
N4	C7	H71	H72	119.3°	120.0°
N4	C7	C8	O8	58.5°	60.0°
N4	C7	C8	C9	177.7°	180.0°
N4	C7	C8	H8	66.1°	60.0°
C5	C6	O6	H61	109.1°	120.0°
C5	C6	O6	H62	120.0°	120.0°
C5	C6	H61	H62	114.0°	119.9°
C5	C6	O6	HO6	7.2°	180.0°
H5	C5	C6	O6	60.7°	174.3°
H5	C5	C6	H61	169.8°	54.3°
H5	C5	C6	H62	59.3°	65.7°
O6	C6	H61	H62	114.1°	120.0°
H61	C6	O6	HO6	101.9°	60.0°
H62	C6	O6	HO6	127.2°	60.0°
C8	C7	H71	H72	119.3°	120.0°
C7	C8	O8	C9	126.4°	120.0°
C7	C8	O8	H8	117.1°	120.0°
C7	C8	C9	H8	116.8°	120.0°
C7	C8	O8	HO8	9.2°	60.0°
C7	C8	C9	O9	62.7°	55.0°
C7	C8	C9	C10	59.7°	175.0°
C7	C8	C9	H9	178.5°	65.0°
H71	C7	C8	O8	60.4°	180.0°
H71	C7	C8	C9	58.8°	60.0°
H71	C7	C8	H8	175.0°	60.0°
H72	C7	C8	O8	178.5°	60.0°
H72	C7	C8	C9	62.3°	60.0°
H72	C7	C8	H8	53.9°	180.0°
O8	C8	C9	H8	124.5°	120.0°
O8	C8	C9	O9	178.6°	65.0°
O8	C8	C9	C10	59.0°	55.0°
O8	C8	C9	H9	59.8°	175.0°
C9	C8	O8	HO8	135.6°	60.0°
C8	C9	O9	C10	112.8°	120.0°
C8	C9	O9	H9	127.4°	120.0°
C8	C9	C10	H9	127.4°	120.0°
C8	C9	O9	HO9	135.7°	60.0°
C8	C9	C10	O10	110.4°	55.0°
C8	C9	C10	C11	135.7°	175.0°
C8	C9	C10	H10	18.0°	65.0°
H8	C8	O8	HO8	107.9°	180.0°
H8	C8	C9	O9	54.1°	175.0°
H8	C8	C9	C10	176.4°	65.0°
H8	C8	C9	H9	64.8°	55.0°
O9	C9	C10	H9	119.9°	120.0°
O9	C9	C10	O10	2.3°	65.0°
O9	C9	C10	C11	111.6°	55.0°
O9	C9	C10	H10	130.7°	174.9°
C10	C9	O9	HO9	111.5°	60.0°
C9	C10	O10	C11	125.8°	120.0°
C9	C10	O10	H10	117.2°	120.1°
C9	C10	C11	H10	117.9°	120.0°
C9	C10	O10	HO10	68.1°	59.9°
C9	C10	C11	O11	97.4°	55.0°
C9	C10	C11	C12	29.8°	175.0°
C9	C10	C11	H11	142.7°	65.0°
H9	C9	O9	HO9	8.3°	180.0°
H9	C9	C10	O10	122.2°	175.0°
H9	C9	C10	C11	8.3°	65.0°
H9	C9	C10	H10	109.4°	54.9°
O10	C10	C11	H10	128.4°	120.0°
O10	C10	C11	O11	149.0°	65.0°
O10	C10	C11	C12	83.8°	55.0°
O10	C10	C11	H11	29.1°	175.0°
C11	C10	O10	HO10	57.7°	60.0°
C10	C11	O11	C12	132.2°	120.0°
C10	C11	O11	H11	113.1°	120.0°
C10	C11	C12	H11	111.7°	120.0°
C10	C11	O11	HO11	46.3°	60.0°
C10	C11	C12	O12	16.0°	65.0°
C10	C11	C12	O13	166.3°	115.0°
H10	C10	O10	HO10	174.7°	180.0°
H10	C10	C11	O11	20.6°	175.0°
H10	C10	C11	C12	147.7°	65.0°
H10	C10	C11	H11	99.3°	55.0°
O11	C11	C12	H11	120.2°	120.0°
O11	C11	C12	O12	144.1°	175.0°
O11	C11	C12	O13	38.3°	5.0°
C12	C11	O11	HO11	178.5°	60.0°
C11	C12	O12	O13	177.2°	180.0°
C11	C12	O12	HO12	177.2°	180.0°
H11	C11	O11	HO11	66.8°	179.9°
H11	C11	C12	O12	95.7°	55.0°
H11	C11	C12	O13	81.9°	125.0°
O13	C12	O12	HO12	0.0°	0.0°

Definition date:	2006-03-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB