FGS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	P15	sing	1.61Å	1.65Å
P15	O16	sing	1.61Å	1.67Å
P15	O17	doub	1.48Å	1.46Å
P15	O12	sing	1.61Å	1.65Å
O12	C10	sing	1.43Å	1.40Å
C10	C7	sing	1.53Å	1.56Å
C7	O4	sing	1.43Å	1.41Å
C7	C1	sing	1.53Å	1.54Å
C1	O6	sing	1.43Å	1.41Å
C1	C2	sing	1.53Å	1.56Å
C2	O8	sing	1.43Å	1.41Å
C2	C3	sing	1.53Å	1.56Å
C3	C19	sing	1.53Å	1.56Å
C3	N19	sing	1.46Å	1.47Å
C19	O20	sing	1.43Å	1.41Å
N19	C21	sing	1.35Å	1.47Å
C21	O22	doub	1.21Å	1.19Å
C21	C23	sing	1.51Å	1.55Å
O18	H18	sing	0.97Å	0.95Å
O16	H16	sing	0.97Å	0.95Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O4	H4	sing	0.97Å	0.95Å
C1	H1	sing	1.09Å	1.10Å
O6	H6	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O8	H8	sing	0.97Å	0.95Å
C3	H3	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
N19	H19	sing	0.97Å	1.00Å
O20	H20	sing	0.97Å	0.95Å
C23	H231	sing	1.09Å	1.10Å
C23	H232	sing	1.09Å	1.10Å
C23	H233	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	P15	O16	110.7°	109.4°
O18	P15	O17	110.5°	109.5°
O18	P15	O12	108.0°	109.5°
P15	O18	H18	109.5°	114.0°
O16	P15	O17	107.2°	109.5°
O16	P15	O12	111.0°	109.5°
P15	O16	H16	109.5°	114.0°
O17	P15	O12	109.5°	109.5°
P15	O12	C10	117.5°	123.0°
O12	C10	C7	114.7°	109.4°
O12	C10	H101	107.8°	109.4°
O12	C10	H102	106.6°	109.5°
C10	C7	O4	111.0°	109.5°
C10	C7	C1	111.5°	109.5°
C7	C10	H101	107.7°	109.5°
C7	C10	H102	106.5°	109.5°
C10	C7	H7	108.3°	109.5°
O4	C7	C1	113.0°	109.5°
O4	C7	H7	106.6°	109.5°
C7	O4	H4	109.5°	114.0°
C7	C1	O6	113.0°	109.4°
C7	C1	C2	114.8°	109.4°
C1	C7	H7	106.1°	109.4°
C7	C1	H1	104.6°	109.5°
O6	C1	C2	114.0°	109.5°
O6	C1	H1	105.6°	109.5°
C1	O6	H6	109.5°	114.0°
C1	C2	O8	112.0°	109.5°
C1	C2	C3	114.9°	109.5°
C2	C1	H1	103.3°	109.5°
C1	C2	H2	104.5°	109.5°
O8	C2	C3	111.9°	109.4°
O8	C2	H2	108.0°	109.5°
C2	O8	H8	109.5°	113.9°
C2	C3	C19	116.9°	109.5°
C2	C3	N19	109.7°	109.5°
C3	C2	H2	104.6°	109.4°
C2	C3	H3	105.9°	109.5°
C19	C3	N19	114.5°	109.5°
C3	C19	O20	119.4°	109.4°
C19	C3	H3	99.9°	109.4°
C3	C19	H191	106.3°	109.5°
C3	C19	H192	104.0°	109.5°
C3	N19	C21	121.1°	120.1°
N19	C3	H3	108.8°	109.4°
C3	N19	H19	119.5°	120.0°
O20	C19	H191	106.3°	109.5°
O20	C19	H192	104.0°	109.4°
C19	O20	H20	109.5°	114.0°
N19	C21	O22	119.9°	119.9°
N19	C21	C23	117.5°	120.0°
C21	N19	H19	119.5°	120.0°
O22	C21	C23	120.1°	120.0°
C21	C23	H231	109.5°	109.4°
C21	C23	H232	109.5°	109.5°
C21	C23	H233	109.4°	109.5°
H101	C10	H102	113.7°	109.5°
H191	C19	H192	117.6°	109.5°
H231	C23	H232	109.5°	109.5°
H231	C23	H233	109.4°	109.4°
H232	C23	H233	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	P15	O16	O17	120.6°	120.0°
O18	P15	O16	O12	119.9°	120.0°
O18	P15	O17	O12	118.8°	120.0°
O18	P15	O12	C10	16.1°	65.0°
O18	P15	O16	H16	168.8°	60.0°
O16	P15	O17	O12	120.4°	120.0°
O16	P15	O12	C10	105.4°	175.0°
O16	P15	O18	H18	17.4°	60.0°
O17	P15	O12	C10	136.5°	55.0°
O17	P15	O18	H18	101.2°	180.0°
O17	P15	O16	H16	70.6°	60.0°
P15	O12	C10	C7	140.7°	180.0°
O12	P15	O18	H18	139.0°	60.0°
O12	P15	O16	H16	49.0°	180.0°
P15	O12	C10	H101	99.3°	60.1°
P15	O12	C10	H102	23.0°	60.0°
O12	C10	C7	H101	120.0°	119.9°
O12	C10	C7	H102	117.7°	120.0°
O12	C10	C7	O4	43.8°	65.0°
O12	C10	C7	C1	83.3°	175.0°
O12	C10	H101	H102	117.9°	120.0°
O12	C10	C7	H7	160.4°	55.0°
C10	C7	O4	C1	126.2°	120.0°
C10	C7	O4	H7	117.7°	120.0°
C10	C7	C1	H7	117.7°	120.0°
C10	C7	C1	O6	137.5°	55.0°
C10	C7	C1	C2	89.3°	175.0°
C7	C10	H101	H102	117.8°	120.1°
C10	C7	O4	H4	88.0°	60.0°
C10	C7	C1	H1	23.2°	65.0°
O4	C7	C1	H7	116.4°	120.0°
O4	C7	C1	O6	11.6°	65.0°
O4	C7	C1	C2	144.8°	54.9°
O4	C7	C10	H101	76.3°	175.0°
O4	C7	C10	H102	161.4°	55.0°
O4	C7	C1	H1	102.7°	175.0°
C7	C1	O6	C2	133.6°	120.0°
C7	C1	O6	H1	113.7°	120.0°
C7	C1	C2	H1	113.2°	120.0°
C7	C1	C2	O8	170.5°	55.0°
C7	C1	C2	C3	60.2°	175.0°
C1	C7	C10	H101	156.7°	55.0°
C1	C7	C10	H102	34.4°	65.0°
C1	C7	O4	H4	145.8°	60.0°
C7	C1	O6	H6	127.1°	60.0°
C7	C1	C2	H2	53.8°	65.1°
O6	C1	C2	H1	114.1°	120.0°
O6	C1	C2	O8	37.8°	65.0°
O6	C1	C2	C3	167.0°	55.0°
O6	C1	C7	H7	104.8°	175.0°
O6	C1	C2	H2	78.9°	175.0°
C1	C2	O8	C3	130.8°	120.0°
C1	C2	O8	H2	114.6°	120.0°
C1	C2	C3	H2	114.0°	120.0°
C1	C2	C3	C19	131.2°	180.0°
C1	C2	C3	N19	96.3°	60.0°
C2	C1	C7	H7	28.4°	65.0°
C2	C1	O6	H6	6.4°	59.9°
C1	C2	O8	H8	29.7°	60.0°
C1	C2	C3	H3	20.9°	60.0°
O8	C2	C3	H2	116.7°	120.0°
O8	C2	C3	C19	99.6°	60.0°
O8	C2	C3	N19	33.0°	60.1°
O8	C2	C1	H1	76.3°	175.0°
O8	C2	C3	H3	150.2°	180.0°
C2	C3	C19	N19	130.3°	120.1°
C2	C3	C19	H3	113.6°	120.0°
C2	C3	N19	H3	115.4°	120.0°
C2	C3	C19	O20	34.6°	55.0°
C2	C3	N19	C21	114.5°	155.0°
C3	C2	C1	H1	53.0°	65.0°
C3	C2	O8	H8	160.5°	60.1°
C2	C3	C19	H191	85.4°	65.0°
C2	C3	C19	H192	149.8°	175.0°
C2	C3	N19	H19	65.5°	25.0°
C19	C3	N19	H3	110.8°	119.9°
C3	C19	O20	H191	120.0°	120.0°
C3	C19	O20	H192	115.2°	120.0°
C19	C3	N19	C21	111.8°	84.9°
C19	C3	C2	H2	17.1°	60.0°
C3	C19	H191	H192	115.9°	120.0°
C19	C3	N19	H19	68.2°	95.0°
C3	C19	O20	H20	135.1°	180.0°
N19	C3	C19	O20	95.7°	65.0°
C3	N19	C21	H19	180.0°	180.0°
C3	N19	C21	O22	40.7°	0.1°
C3	N19	C21	C23	157.3°	180.0°
N19	C3	C2	H2	149.7°	180.0°
N19	C3	C19	H191	144.3°	175.0°
N19	C3	C19	H192	19.5°	54.9°
O20	C19	C3	H3	148.2°	175.0°
O20	C19	H191	H192	115.9°	120.0°
N19	C21	O22	C23	161.5°	179.9°
C21	N19	C3	H3	1.0°	35.0°
N19	C21	C23	H231	84.1°	0.0°
N19	C21	C23	H232	35.9°	120.0°
N19	C21	C23	H233	155.9°	119.9°
O22	C21	N19	H19	139.3°	180.0°
O22	C21	C23	H231	114.0°	180.0°
O22	C21	C23	H232	126.0°	60.1°
O22	C21	C23	H233	6.0°	60.0°
C23	C21	N19	H19	22.7°	0.0°
C21	C23	H231	H232	120.0°	120.0°
C21	C23	H231	H233	120.0°	120.0°
C21	C23	H232	H233	120.0°	120.0°
H101	C10	C7	H7	40.4°	64.9°
H102	C10	C7	H7	81.9°	175.0°
H7	C7	O4	H4	29.7°	180.0°
H7	C7	C1	H1	140.9°	55.0°
H1	C1	O6	H6	119.2°	180.0°
H1	C1	C2	H2	167.0°	55.0°
H2	C2	O8	H8	84.9°	180.0°
H2	C2	C3	H3	93.1°	60.0°
H3	C3	C19	H191	28.2°	55.0°
H3	C3	C19	H192	96.5°	65.0°
H3	C3	N19	H19	179.1°	145.0°
H191	C19	O20	H20	104.9°	60.0°
H192	C19	O20	H20	19.9°	60.1°
H231	C23	H232	H233	120.0°	120.0°

Definition date:	2009-09-25
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2WU1