EAA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O2	sing	0.00Å	1.39Å
C1	C2	doub	0.00Å	1.42Å	Aromatic
C1	C6	sing	0.00Å	1.41Å	Aromatic
O2	C12	sing	0.00Å	1.46Å
C2	CL1	sing	0.00Å	1.78Å
C2	C3	sing	0.00Å	1.41Å	Aromatic
C3	CL2	sing	0.00Å	1.77Å
C3	C4	doub	0.00Å	1.43Å	Aromatic
C4	C5	sing	0.00Å	1.42Å	Aromatic
C4	C7	sing	0.00Å	1.53Å
C5	C6	doub	0.00Å	1.39Å	Aromatic
C5	H5	sing	0.00Å	1.10Å
C6	H6	sing	0.00Å	1.10Å
C7	O1	doub	0.00Å	1.23Å
C7	C8	sing	0.00Å	1.57Å
C8	C9	sing	0.00Å	1.55Å
C8	C11	doub	0.00Å	1.55Å
C9	C10	sing	0.00Å	1.53Å
C9	H91	sing	0.00Å	1.12Å
C9	H92	sing	0.00Å	1.11Å
C10	H101	sing	0.00Å	1.12Å
C10	H102	sing	0.00Å	1.11Å
C10	H103	sing	0.00Å	1.12Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.10Å
C12	C13	sing	0.00Å	1.53Å
C12	H121	sing	0.00Å	1.11Å
C12	H122	sing	0.00Å	1.12Å
C13	O	doub	0.00Å	1.25Å
C13	OXT	sing	0.00Å	1.26Å
OXT	HXT	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C1	C2	117.4°	90.0°
O2	C1	C6	123.4°	90.0°
C1	O2	C12	123.9°	90.0°
C2	C1	C6	119.2°	90.0°
C1	C2	CL1	120.2°	90.0°
C1	C2	C3	120.2°	90.0°
C1	C6	C5	120.9°	90.0°
C1	C6	H6	120.1°	90.0°
O2	C12	C13	113.9°	90.0°
O2	C12	H121	110.6°	90.0°
O2	C12	H122	110.6°	90.0°
CL1	C2	C3	119.6°	90.0°
C2	C3	CL2	118.0°	90.0°
C2	C3	C4	120.2°	90.0°
CL2	C3	C4	121.8°	90.0°
C3	C4	C5	118.3°	90.0°
C3	C4	C7	122.8°	90.0°
C5	C4	C7	118.9°	90.0°
C4	C5	C6	121.2°	90.0°
C4	C5	H5	120.3°	90.0°
C4	C7	O1	122.5°	90.0°
C4	C7	C8	123.2°	90.0°
C6	C5	H5	118.4°	90.0°
C5	C6	H6	119.0°	90.0°
O1	C7	C8	114.2°	90.0°
C7	C8	C9	113.2°	90.0°
C7	C8	C11	114.5°	90.0°
C9	C8	C11	113.6°	90.0°
C8	C9	C10	118.4°	90.0°
C8	C9	H91	109.0°	90.0°
C8	C9	H92	108.9°	90.0°
C8	C11	H111	113.6°	90.0°
C8	C11	H112	114.5°	90.0°
C10	C9	H91	109.0°	90.0°
C10	C9	H92	109.0°	90.0°
C9	C10	H101	118.4°	90.0°
C9	C10	H102	109.0°	90.0°
C9	C10	H103	109.0°	90.0°
H91	C9	H92	101.1°	90.0°
H101	C10	H102	109.1°	90.0°
H101	C10	H103	108.9°	90.0°
H102	C10	H103	101.1°	90.0°
H111	C11	H112	113.2°	90.0°
C13	C12	H121	110.6°	90.0°
C13	C12	H122	110.6°	90.0°
C12	C13	O	118.7°	90.0°
C12	C13	OXT	118.9°	90.0°
H121	C12	H122	99.7°	90.0°
O	C13	OXT	122.3°	90.0°
C13	OXT	HXT	118.9°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C1	C2	C6	179.0°	90.0°
O2	C1	C2	CL1	0.1°	90.0°
O2	C1	C2	C3	179.5°	90.0°
O2	C1	C6	C5	179.2°	90.0°
O2	C1	C6	H6	0.8°	90.0°
C1	O2	C12	C13	137.7°	90.0°
C1	O2	C12	H121	12.4°	90.0°
C1	O2	C12	H122	97.1°	90.0°
C2	C1	O2	C12	105.9°	90.0°
C1	C2	CL1	C3	179.4°	90.0°
C1	C2	C3	CL2	179.0°	90.0°
C1	C2	C3	C4	0.7°	90.0°
C2	C1	C6	C5	0.2°	90.0°
C2	C1	C6	H6	179.8°	90.0°
C6	C1	O2	C12	73.1°	90.0°
C6	C1	C2	CL1	179.0°	90.0°
C6	C1	C2	C3	0.4°	90.0°
C1	C6	C5	C4	0.3°	90.0°
C1	C6	C5	H6	180.0°	90.0°
C1	C6	C5	H5	179.6°	90.0°
O2	C12	C13	H121	125.3°	90.0°
O2	C12	C13	H122	125.3°	90.0°
O2	C12	H121	H122	116.5°	90.0°
O2	C12	C13	O	148.3°	90.0°
O2	C12	C13	OXT	29.1°	90.0°
CL1	C2	C3	CL2	1.6°	90.0°
CL1	C2	C3	C4	178.7°	90.0°
C2	C3	CL2	C4	179.7°	90.0°
C2	C3	C4	C5	0.8°	90.0°
C2	C3	C4	C7	176.6°	90.0°
CL2	C3	C4	C5	178.9°	90.0°
CL2	C3	C4	C7	3.8°	90.0°
C3	C4	C5	C7	177.4°	90.0°
C3	C4	C5	C6	0.6°	90.0°
C3	C4	C5	H5	179.4°	90.0°
C3	C4	C7	O1	27.9°	90.0°
C3	C4	C7	C8	152.1°	90.0°
C4	C5	C6	H5	180.0°	90.0°
C4	C5	C6	H6	179.7°	90.0°
C5	C4	C7	O1	149.4°	90.0°
C5	C4	C7	C8	30.6°	90.0°
C7	C4	C5	C6	176.8°	90.0°
C7	C4	C5	H5	3.2°	90.0°
C4	C7	O1	C8	180.0°	90.0°
C4	C7	C8	C9	84.4°	90.0°
C4	C7	C8	C11	143.1°	90.0°
H5	C5	C6	H6	0.3°	90.0°
O1	C7	C8	C9	95.5°	90.0°
O1	C7	C8	C11	36.9°	90.0°
C7	C8	C9	C11	132.8°	90.0°
C7	C8	C9	C10	173.6°	90.0°
C7	C8	C9	H91	61.2°	90.0°
C7	C8	C9	H92	48.3°	90.0°
C7	C8	C11	H111	47.9°	90.0°
C7	C8	C11	H112	180.0°	90.0°
C8	C9	C10	H91	125.2°	90.0°
C8	C9	C10	H92	125.3°	90.0°
C8	C9	H91	H92	114.7°	90.0°
C8	C9	C10	H101	179.9°	90.0°
C8	C9	C10	H102	54.7°	90.0°
C8	C9	C10	H103	54.8°	90.0°
C9	C8	C11	H111	179.9°	90.0°
C9	C8	C11	H112	47.8°	90.0°
C11	C8	C9	C10	40.8°	90.0°
C11	C8	C9	H91	166.0°	90.0°
C11	C8	C9	H92	84.5°	90.0°
C8	C11	H111	H112	132.8°	90.0°
C10	C9	H91	H92	114.7°	90.0°
C9	C10	H101	H102	125.3°	90.0°
C9	C10	H101	H103	125.2°	90.0°
C9	C10	H102	H103	114.7°	90.0°
H91	C9	C10	H101	54.7°	90.0°
H91	C9	C10	H102	180.0°	90.0°
H91	C9	C10	H103	70.4°	90.0°
H92	C9	C10	H101	54.8°	90.0°
H92	C9	C10	H102	70.5°	90.0°
H92	C9	C10	H103	179.9°	90.0°
H101	C10	H102	H103	114.7°	90.0°
C13	C12	H121	H122	116.4°	90.0°
C12	C13	O	OXT	177.3°	90.0°
C12	C13	OXT	HXT	179.9°	90.0°
H121	C12	C13	O	86.4°	90.0°
H121	C12	C13	OXT	96.2°	90.0°
H122	C12	C13	O	23.0°	90.0°
H122	C12	C13	OXT	154.4°	90.0°
O	C13	OXT	HXT	2.6°	90.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3GSS