AMI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.55Å	1.55Å
C1	C5	sing	1.55Å	1.54Å
C1	O7	sing	1.45Å	1.43Å
C1	H1	sing	1.09Å	1.11Å
C2	C3	sing	1.53Å	1.53Å
C2	N2	sing	1.47Å	1.41Å
C2	H2	sing	1.09Å	1.11Å
C3	C4	sing	1.54Å	1.53Å
C3	O3	sing	1.43Å	1.41Å
C3	H3	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.53Å
C4	O4	sing	1.43Å	1.43Å
C4	H4	sing	1.09Å	1.11Å
C5	C6	sing	1.53Å	1.54Å
C5	H5	sing	1.09Å	1.12Å
C6	O6	sing	1.43Å	1.41Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C7	N2	doub	1.30Å	1.36Å
C7	N7	sing	1.37Å	1.35Å
C7	O7	sing	1.35Å	1.35Å
C8	N7	sing	1.47Å	1.42Å
C8	H81	sing	1.09Å	1.12Å
C8	H82	sing	1.09Å	1.11Å
C8	H83	sing	1.09Å	1.12Å
C9	N7	sing	1.46Å	1.43Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.12Å
C9	H93	sing	1.09Å	1.11Å
O3	HO3	sing	0.97Å	0.95Å
O4	HO4	sing	0.97Å	0.95Å
O6	HO6	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	105.1°	104.8°
C2	C1	O7	103.8°	100.7°
C2	C1	H1	115.9°	114.1°
C1	C2	C3	104.4°	105.7°
C1	C2	N2	104.5°	101.9°
C1	C2	H2	116.1°	113.0°
C5	C1	O7	109.9°	108.9°
C5	C1	H1	110.3°	113.3°
C1	C5	C4	106.1°	107.8°
C1	C5	C6	112.9°	109.8°
C1	C5	H5	109.9°	109.8°
O7	C1	H1	111.5°	114.0°
C1	O7	C7	108.8°	107.5°
C3	C2	N2	110.7°	110.1°
C3	C2	H2	110.5°	112.6°
C2	C3	C4	104.0°	106.3°
C2	C3	O3	109.1°	110.1°
C2	C3	H3	113.5°	110.1°
N2	C2	H2	110.4°	112.8°
C2	N2	C7	108.7°	108.3°
C4	C3	O3	110.2°	110.1°
C4	C3	H3	112.4°	110.1°
C3	C4	C5	100.0°	107.2°
C3	C4	O4	112.6°	109.9°
C3	C4	H4	113.0°	109.9°
O3	C3	H3	107.6°	110.0°
C3	O3	HO3	109.0°	106.8°
C5	C4	O4	107.7°	110.0°
C5	C4	H4	117.6°	109.9°
C4	C5	C6	110.6°	109.8°
C4	C5	H5	112.2°	109.9°
O4	C4	H4	106.0°	109.9°
C4	O4	HO4	112.6°	106.8°
C6	C5	H5	105.3°	109.8°
C5	C6	O6	107.2°	109.5°
C5	C6	H61	113.0°	109.4°
C5	C6	H62	113.1°	109.5°
O6	C6	H61	113.0°	109.4°
O6	C6	H62	113.1°	109.5°
C6	O6	HO6	107.3°	106.9°
H61	C6	H62	97.4°	109.5°
N2	C7	N7	130.2°	123.1°
N2	C7	O7	113.1°	113.8°
N7	C7	O7	116.7°	123.1°
C7	N7	C8	117.7°	120.0°
C7	N7	C9	125.1°	120.0°
N7	C8	H81	117.7°	109.5°
N7	C8	H82	109.2°	109.4°
N7	C8	H83	109.2°	109.5°
C8	N7	C9	117.1°	120.0°
H81	C8	H82	109.3°	109.5°
H81	C8	H83	109.2°	109.5°
H82	C8	H83	100.9°	109.5°
N7	C9	H91	125.2°	109.5°
N7	C9	H92	106.7°	109.5°
N7	C9	H93	106.7°	109.4°
H91	C9	H92	106.6°	109.6°
H91	C9	H93	106.7°	109.4°
H92	C9	H93	102.9°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	O7	111.1°	107.0°
C2	C1	C5	H1	125.6°	125.0°
C2	C1	O7	H1	125.4°	122.6°
C1	C2	C3	N2	111.9°	109.3°
C1	C2	C3	H2	125.5°	123.9°
C1	C2	N2	H2	125.5°	121.4°
C1	C2	C3	C4	34.2°	28.2°
C1	C2	C3	O3	151.8°	91.1°
C1	C2	C3	H3	88.2°	147.4°
C2	C1	C5	C4	18.6°	16.6°
C2	C1	C5	C6	139.9°	136.2°
C2	C1	C5	H5	102.9°	103.0°
C1	C2	N2	C7	9.0°	16.2°
C2	C1	O7	C7	8.3°	26.9°
C5	C1	O7	H1	122.7°	127.6°
C5	C1	C2	C3	9.5°	27.5°
C5	C1	C2	N2	125.8°	87.6°
C5	C1	C2	H2	112.3°	151.1°
C1	C5	C4	C3	39.0°	0.5°
C1	C5	C4	C6	122.7°	119.6°
C1	C5	C4	H5	120.0°	119.6°
C1	C5	C4	O4	156.8°	119.0°
C1	C5	C4	H4	83.6°	119.9°
C1	C5	C6	H5	119.9°	120.8°
C1	C5	C6	O6	70.0°	179.7°
C1	C5	C6	H61	164.8°	59.8°
C1	C5	C6	H62	55.3°	60.2°
C5	C1	O7	C7	120.2°	82.9°
O7	C1	C2	C3	105.9°	140.4°
O7	C1	C2	N2	10.4°	25.4°
O7	C1	C2	H2	132.3°	95.9°
O7	C1	C5	C4	129.7°	123.6°
O7	C1	C5	C6	109.1°	116.8°
O7	C1	C5	H5	8.2°	4.0°
C1	O7	C7	N2	3.1°	18.8°
C1	O7	C7	N7	174.8°	161.6°
H1	C1	C2	C3	131.6°	97.0°
H1	C1	C2	N2	112.1°	147.9°
H1	C1	C2	H2	9.7°	26.6°
H1	C1	C5	C4	107.0°	108.4°
H1	C1	C5	C6	14.3°	11.2°
H1	C1	C5	H5	131.5°	132.0°
H1	C1	O7	C7	117.1°	149.5°
C3	C2	N2	H2	122.6°	126.7°
C2	C3	C4	O3	116.8°	119.3°
C2	C3	C4	H3	123.2°	119.2°
C2	C3	O3	H3	123.5°	121.5°
C2	C3	C4	C5	45.0°	17.8°
C2	C3	C4	O4	159.1°	101.7°
C2	C3	C4	H4	80.8°	137.2°
C3	C2	N2	C7	102.9°	128.1°
C2	C3	O3	HO3	180.0°	180.0°
N2	C2	C3	C4	146.1°	81.1°
N2	C2	C3	O3	96.3°	159.6°
N2	C2	C3	H3	23.7°	38.1°
C2	N2	C7	N7	178.2°	179.9°
C2	N2	C7	O7	4.2°	0.5°
H2	C2	C3	C4	91.3°	152.1°
H2	C2	C3	O3	26.3°	32.8°
H2	C2	C3	H3	146.3°	88.7°
H2	C2	N2	C7	134.5°	105.2°
C4	C3	O3	H3	122.9°	121.5°
C3	C4	C5	O4	117.8°	119.5°
C3	C4	C5	H4	122.7°	119.4°
C3	C4	O4	H4	124.0°	121.1°
C3	C4	C5	C6	161.8°	119.1°
C3	C4	C5	H5	81.0°	120.1°
C4	C3	O3	HO3	66.5°	63.1°
C3	C4	O4	HO4	180.0°	61.5°
O3	C3	C4	C5	161.8°	101.5°
O3	C3	C4	O4	84.2°	139.0°
O3	C3	C4	H4	35.9°	17.9°
H3	C3	C4	C5	78.2°	137.0°
H3	C3	C4	O4	35.9°	17.5°
H3	C3	C4	H4	156.0°	103.6°
H3	C3	O3	HO3	56.4°	58.5°
C5	C4	O4	H4	126.6°	121.1°
C4	C5	C6	H5	121.4°	120.9°
C4	C5	C6	O6	171.3°	61.4°
C4	C5	C6	H61	46.1°	58.5°
C4	C5	C6	H62	63.4°	178.5°
C5	C4	O4	HO4	70.7°	179.3°
O4	C4	C5	C6	80.4°	121.5°
O4	C4	C5	H5	36.8°	0.6°
H4	C4	C5	C6	39.1°	0.4°
H4	C4	C5	H5	156.4°	120.5°
H4	C4	O4	HO4	56.0°	59.6°
C5	C6	O6	H61	125.2°	120.0°
C5	C6	O6	H62	125.3°	120.0°
C5	C6	H61	H62	119.0°	120.0°
C5	C6	O6	HO6	180.0°	180.0°
H5	C5	C6	O6	49.9°	59.5°
H5	C5	C6	H61	75.4°	179.4°
H5	C5	C6	H62	175.2°	60.6°
O6	C6	H61	H62	119.0°	120.0°
H61	C6	O6	HO6	54.8°	60.0°
H62	C6	O6	HO6	54.7°	60.0°
N2	C7	N7	O7	177.5°	179.6°
N2	C7	N7	C8	3.9°	0.2°
N2	C7	N7	C9	176.2°	180.0°
C7	N7	C8	C9	179.9°	179.8°
C7	N7	C8	H81	180.0°	179.9°
C7	N7	C8	H82	54.7°	60.1°
C7	N7	C8	H83	54.8°	59.9°
C7	N7	C9	H91	180.0°	180.0°
C7	N7	C9	H92	54.8°	59.8°
C7	N7	C9	H93	54.7°	60.1°
O7	C7	N7	C8	178.5°	179.7°
O7	C7	N7	C9	1.4°	0.4°
N7	C8	H81	H82	125.3°	119.9°
N7	C8	H81	H83	125.2°	120.0°
N7	C8	H82	H83	115.0°	120.0°
C8	N7	C9	H91	0.1°	0.1°
C8	N7	C9	H92	125.1°	120.0°
C8	N7	C9	H93	125.4°	120.1°
H81	C8	H82	H83	115.0°	120.1°
H81	C8	N7	C9	0.1°	0.1°
H82	C8	N7	C9	125.4°	120.1°
H83	C8	N7	C9	125.1°	119.9°
N7	C9	H91	H92	125.2°	120.1°
N7	C9	H91	H93	125.3°	120.0°
N7	C9	H92	H93	112.1°	119.9°
H91	C9	H92	H93	112.1°	119.9°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1LLO