FB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O12	C12	doub	1.21Å	1.27Å
C12	C5A	sing	1.46Å	1.24Å
C12	H12	sing	1.08Å	1.10Å
C5A	C5	doub	1.33Å	1.26Å
C5A	H5A	sing	1.08Å	1.10Å
C5	C6	sing	1.49Å	1.51Å
C5	C4	sing	1.50Å	1.54Å
C6	O6	sing	1.43Å	1.44Å
C6	N10	sing	1.48Å	1.45Å
C6	C7	sing	1.50Å	1.51Å
O6	HO6	sing	0.97Å	0.95Å
N10	C9	sing	1.35Å	1.32Å
N10	H10	sing	0.97Å	1.02Å
C9	O9	doub	1.21Å	1.22Å
C9	C1	sing	1.47Å	1.52Å
C4	C3	sing	1.53Å	1.55Å
C4	H41	sing	1.09Å	1.12Å
C4	H42	sing	1.09Å	1.11Å
C3	O2	sing	1.49Å	1.46Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
O2	C1	sing	1.41Å	1.44Å
C1	N8	sing	1.47Å	1.45Å
C1	C1A	sing	1.53Å	1.54Å
N8	C7	sing	1.36Å	1.32Å
N8	HN8	sing	0.97Å	1.02Å
C7	O7	doub	1.21Å	1.22Å
C1A	O1A	sing	1.43Å	1.43Å
C1A	C2A	sing	1.53Å	1.54Å
C1A	H1A	sing	1.09Å	1.11Å
O1A	H1O	sing	0.97Å	0.95Å
C2A	C2B	sing	1.53Å	1.52Å
C2A	O2A	sing	1.43Å	1.43Å
C2A	C3A	sing	1.53Å	1.52Å
C2B	HB1	sing	1.09Å	1.11Å
C2B	HB2	sing	1.09Å	1.11Å
C2B	HB3	sing	1.09Å	1.12Å
O2A	H2O	sing	0.97Å	0.95Å
C3A	O3A	sing	1.43Å	1.42Å
C3A	HA1	sing	1.09Å	1.12Å
C3A	HA2	sing	1.09Å	1.11Å
O3A	H3O	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O12	C12	C5A	149.8°	120.0°
O12	C12	H12	107.6°	120.0°
C5A	C12	H12	102.6°	120.0°
C12	C5A	C5	162.6°	120.0°
C12	C5A	H5A	96.5°	120.0°
C5	C5A	H5A	101.0°	120.0°
C5A	C5	C6	115.7°	118.1°
C5A	C5	C4	124.6°	118.2°
C6	C5	C4	119.6°	123.7°
C5	C6	O6	111.6°	110.1°
C5	C6	N10	102.3°	105.4°
C5	C6	C7	97.4°	112.2°
C5	C4	C3	111.8°	109.1°
C5	C4	H41	111.3°	109.6°
C5	C4	H42	111.3°	109.6°
O6	C6	N10	113.3°	110.1°
O6	C6	C7	112.2°	110.0°
C6	O6	HO6	111.6°	106.8°
N10	C6	C7	118.2°	108.8°
C6	N10	C9	123.7°	115.8°
C6	N10	H10	123.1°	121.9°
C6	C7	N8	117.0°	120.7°
C6	C7	O7	120.4°	119.6°
C9	N10	H10	113.2°	122.3°
N10	C9	O9	120.2°	119.8°
N10	C9	C1	117.6°	120.8°
O9	C9	C1	121.8°	119.4°
C9	C1	O2	99.9°	119.9°
C9	C1	N8	117.1°	113.6°
C9	C1	C1A	117.4°	103.9°
C3	C4	H41	111.4°	109.5°
C3	C4	H42	111.3°	109.5°
C4	C3	O2	117.9°	110.0°
C4	C3	H31	109.2°	109.2°
C4	C3	H32	109.2°	109.2°
H41	C4	H42	99.0°	109.6°
O2	C3	H31	109.2°	109.2°
O2	C3	H32	109.2°	110.0°
C3	O2	C1	115.3°	108.5°
H31	C3	H32	100.9°	109.2°
O2	C1	N8	101.4°	110.3°
O2	C1	C1A	113.5°	103.7°
N8	C1	C1A	106.4°	103.1°
C1	N8	C7	124.8°	116.6°
C1	N8	HN8	122.8°	121.7°
C1	C1A	O1A	107.8°	109.5°
C1	C1A	C2A	118.2°	109.4°
C1	C1A	H1A	104.7°	109.4°
C7	N8	HN8	112.4°	121.6°
N8	C7	O7	122.0°	119.6°
O1A	C1A	C2A	110.0°	109.5°
O1A	C1A	H1A	113.8°	109.5°
C1A	O1A	H1O	107.8°	106.8°
C2A	C1A	H1A	102.3°	109.5°
C1A	C2A	C2B	110.8°	109.5°
C1A	C2A	O2A	112.3°	109.5°
C1A	C2A	C3A	109.9°	109.5°
C2B	C2A	O2A	105.4°	109.5°
C2B	C2A	C3A	109.3°	109.4°
C2A	C2B	HB1	111.7°	109.5°
C2A	C2B	HB2	110.8°	109.5°
C2A	C2B	HB3	111.7°	109.5°
O2A	C2A	C3A	109.0°	109.5°
C2A	O2A	H2O	112.2°	106.8°
C2A	C3A	O3A	110.3°	109.5°
C2A	C3A	HA1	111.9°	109.5°
C2A	C3A	HA2	111.9°	109.5°
HB1	C2B	HB2	111.7°	109.5°
HB1	C2B	HB3	98.7°	109.5°
HB2	C2B	HB3	111.7°	109.5°
O3A	C3A	HA1	111.9°	109.5°
O3A	C3A	HA2	111.9°	109.5°
C3A	O3A	H3O	110.3°	106.8°
HA1	C3A	HA2	98.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O12	C12	C5A	H12	180.0°	180.0°
O12	C12	C5A	C5	32.9°	175.2°
O12	C12	C5A	H5A	147.1°	4.8°
C12	C5A	C5	H5A	180.0°	180.0°
C12	C5A	C5	C6	20.7°	18.1°
C12	C5A	C5	C4	162.1°	161.8°
H12	C12	C5A	C5	147.1°	4.8°
H12	C12	C5A	H5A	32.9°	175.2°
C5A	C5	C6	C4	177.3°	179.9°
C5A	C5	C6	O6	20.8°	14.5°
C5A	C5	C6	N10	142.3°	133.2°
C5A	C5	C6	C7	96.7°	108.4°
C5A	C5	C4	C3	118.9°	113.8°
C5A	C5	C4	H41	115.8°	6.1°
C5A	C5	C4	H42	6.3°	126.3°
H5A	C5A	C5	C6	159.3°	161.9°
H5A	C5A	C5	C4	17.9°	18.2°
C5	C6	O6	N10	114.9°	115.8°
C5	C6	O6	C7	108.2°	124.2°
C5	C6	N10	C7	105.5°	120.6°
C5	C6	O6	HO6	180.0°	175.8°
C5	C6	N10	C9	94.2°	73.0°
C5	C6	N10	H10	85.8°	106.3°
C6	C5	C4	C3	58.1°	66.1°
C6	C5	C4	H41	67.2°	174.0°
C6	C5	C4	H42	176.6°	53.8°
C5	C6	C7	N8	96.9°	77.9°
C5	C6	C7	O7	74.6°	102.0°
C4	C5	C6	O6	161.9°	165.6°
C4	C5	C6	N10	40.4°	46.9°
C4	C5	C6	C7	80.7°	71.4°
C5	C4	C3	H41	125.3°	119.9°
C5	C4	C3	H42	125.3°	119.9°
C5	C4	H41	H42	117.2°	120.2°
C5	C4	C3	O2	92.8°	103.8°
C5	C4	C3	H31	142.0°	16.1°
C5	C4	C3	H32	32.5°	135.4°
O6	C6	N10	C7	134.2°	120.7°
O6	C6	N10	C9	145.5°	168.2°
O6	C6	N10	H10	34.5°	12.4°
O6	C6	C7	N8	146.1°	159.1°
O6	C6	C7	O7	42.4°	20.9°
N10	C6	O6	HO6	65.1°	59.9°
C6	N10	C9	H10	180.0°	179.4°
C6	N10	C9	O9	171.8°	163.0°
C6	N10	C9	C1	1.0°	18.2°
N10	C6	C7	N8	11.5°	38.4°
N10	C6	C7	O7	177.1°	141.7°
C7	C6	O6	HO6	71.8°	60.0°
C7	C6	N10	C9	11.3°	47.6°
C7	C6	N10	H10	168.7°	133.1°
C6	C7	N8	C1	1.6°	1.4°
C6	C7	N8	O7	171.3°	180.0°
C6	C7	N8	HN8	178.4°	178.7°
N10	C9	O9	C1	172.5°	178.8°
N10	C9	C1	O2	99.5°	110.2°
N10	C9	C1	N8	8.8°	23.3°
N10	C9	C1	C1A	137.3°	134.7°
H10	N10	C9	O9	8.2°	16.4°
H10	N10	C9	C1	179.0°	162.4°
O9	C9	C1	O2	73.2°	71.0°
O9	C9	C1	N8	178.4°	155.5°
O9	C9	C1	C1A	49.9°	44.1°
C9	C1	O2	C3	85.0°	77.3°
C9	C1	O2	N8	120.5°	134.9°
C9	C1	O2	C1A	125.8°	115.2°
C9	C1	N8	C1A	133.6°	111.8°
C9	C1	N8	C7	8.6°	32.9°
C9	C1	N8	HN8	171.5°	147.1°
C9	C1	C1A	O1A	176.0°	77.0°
C9	C1	C1A	C2A	58.5°	163.0°
C9	C1	C1A	H1A	54.5°	43.0°
C3	C4	H41	H42	117.2°	120.2°
C4	C3	O2	H31	125.3°	119.8°
C4	C3	O2	H32	125.3°	120.3°
C4	C3	H31	H32	114.9°	119.3°
C4	C3	O2	C1	71.3°	62.0°
H41	C4	C3	O2	32.5°	136.3°
H41	C4	C3	H31	92.8°	103.8°
H41	C4	C3	H32	157.8°	15.5°
H42	C4	C3	O2	142.0°	16.1°
H42	C4	C3	H31	16.7°	136.0°
H42	C4	C3	H32	92.8°	104.7°
O2	C3	H31	H32	114.9°	120.3°
C3	O2	C1	N8	35.5°	57.5°
C3	O2	C1	C1A	149.1°	167.4°
H31	C3	O2	C1	163.4°	57.8°
H32	C3	O2	C1	54.0°	177.6°
O2	C1	N8	C1A	118.9°	110.3°
O2	C1	N8	C7	99.0°	105.0°
O2	C1	N8	HN8	81.0°	75.0°
O2	C1	C1A	O1A	68.1°	156.9°
O2	C1	C1A	C2A	57.4°	36.9°
O2	C1	C1A	H1A	170.4°	83.1°
C1	N8	C7	HN8	180.0°	179.9°
C1	N8	C7	O7	172.9°	178.6°
N8	C1	C1A	O1A	42.6°	41.8°
N8	C1	C1A	C2A	168.0°	78.2°
N8	C1	C1A	H1A	79.0°	161.8°
C1A	C1	N8	C7	142.1°	144.8°
C1A	C1	N8	HN8	37.9°	35.3°
C1	C1A	O1A	C2A	130.2°	120.0°
C1	C1A	O1A	H1A	115.7°	120.0°
C1	C1A	C2A	H1A	114.3°	119.9°
C1	C1A	O1A	H1O	180.0°	73.8°
C1	C1A	C2A	C2B	125.9°	50.6°
C1	C1A	C2A	O2A	8.3°	69.4°
C1	C1A	C2A	C3A	113.2°	170.6°
HN8	N8	C7	O7	7.1°	1.4°
O1A	C1A	C2A	H1A	121.3°	120.1°
O1A	C1A	C2A	C2B	1.5°	69.4°
O1A	C1A	C2A	O2A	116.1°	170.6°
O1A	C1A	C2A	C3A	122.4°	50.6°
C2A	C1A	O1A	H1O	49.8°	46.2°
C1A	C2A	C2B	O2A	121.7°	120.0°
C1A	C2A	C2B	C3A	121.2°	120.0°
C1A	C2A	O2A	C3A	121.9°	120.0°
C1A	C2A	C2B	HB1	54.7°	174.4°
C1A	C2A	C2B	HB2	180.0°	65.6°
C1A	C2A	C2B	HB3	54.7°	54.4°
C1A	C2A	O2A	H2O	180.0°	60.0°
C1A	C2A	C3A	O3A	77.3°	180.0°
C1A	C2A	C3A	HA1	48.0°	60.0°
C1A	C2A	C3A	HA2	157.5°	60.0°
H1A	C1A	O1A	H1O	64.3°	166.2°
H1A	C1A	C2A	C2B	119.8°	170.6°
H1A	C1A	C2A	O2A	122.6°	50.6°
H1A	C1A	C2A	C3A	1.1°	69.4°
C2B	C2A	O2A	C3A	117.3°	120.0°
C2A	C2B	HB1	HB2	124.8°	120.0°
C2A	C2B	HB1	HB3	117.6°	120.0°
C2A	C2B	HB2	HB3	125.3°	120.0°
C2B	C2A	O2A	H2O	59.2°	180.0°
C2B	C2A	C3A	O3A	44.5°	60.0°
C2B	C2A	C3A	HA1	169.8°	180.0°
C2B	C2A	C3A	HA2	80.7°	60.0°
O2A	C2A	C2B	HB1	67.0°	54.4°
O2A	C2A	C2B	HB2	58.3°	174.4°
O2A	C2A	C2B	HB3	176.4°	65.6°
O2A	C2A	C3A	O3A	159.3°	59.9°
O2A	C2A	C3A	HA1	75.4°	60.1°
O2A	C2A	C3A	HA2	34.1°	180.0°
C3A	C2A	C2B	HB1	176.0°	65.6°
C3A	C2A	C2B	HB2	58.7°	54.4°
C3A	C2A	C2B	HB3	66.5°	174.4°
C3A	C2A	O2A	H2O	58.0°	60.0°
C2A	C3A	O3A	HA1	125.3°	120.0°
C2A	C3A	O3A	HA2	125.3°	120.0°
C2A	C3A	HA1	HA2	117.8°	120.0°
C2A	C3A	O3A	H3O	180.0°	180.0°
HB1	C2B	HB2	HB3	109.4°	120.0°
O3A	C3A	HA1	HA2	117.8°	120.0°
HA1	C3A	O3A	H3O	54.8°	60.0°
HA2	C3A	O3A	H3O	54.7°	59.9°

Definition date:	2004-10-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1XPR