O04

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	sing	1.53Å	1.53Å
C9	C8	sing	1.53Å	1.53Å
C10	C11	sing	1.53Å	1.53Å
C8	O2	sing	1.43Å	1.44Å
C11	C7	sing	1.53Å	1.53Å
O2	C7	sing	1.43Å	1.44Å
C7	O1	sing	1.43Å	1.44Å
O1	N2	sing	1.42Å	1.36Å
N2	C6	doub	1.29Å	1.26Å
C6	C5	sing	1.48Å	1.48Å
C5	C12	doub	1.40Å	1.39Å	Aromatic
C5	C4	sing	1.40Å	1.40Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.38Å	1.40Å	Aromatic
C13	C2	doub	1.40Å	1.39Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.48Å	1.50Å
C1	N1	sing	1.38Å	1.34Å
C1	N3	doub	1.30Å	1.26Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C3	H3	sing	1.08Å	1.08Å
N3	HN3	sing	0.97Å	1.00Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H8A	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	112.6°	109.2°
C9	C10	C11	113.2°	109.1°
C10	C9	H9	108.5°	109.5°
C10	C9	H9A	108.4°	109.5°
C9	C10	H10	108.3°	109.6°
C9	C10	H10A	108.3°	109.5°
C9	C8	O2	111.9°	109.5°
C9	C8	H8	108.7°	109.5°
C9	C8	H8A	108.7°	109.5°
C8	C9	H9	108.4°	109.5°
C8	C9	H9A	108.5°	109.6°
C10	C11	C7	111.5°	109.1°
C11	C10	H10	108.2°	109.5°
C11	C10	H10A	108.2°	109.5°
C10	C11	H11	108.8°	109.6°
C10	C11	H11A	108.8°	109.5°
C8	O2	C7	115.0°	114.0°
O2	C8	H8	108.7°	109.5°
O2	C8	H8A	108.7°	109.5°
C11	C7	O2	111.1°	109.5°
C11	C7	O1	109.1°	109.5°
C11	C7	H7	109.2°	109.5°
C7	C11	H11	108.8°	109.6°
C7	C11	H11A	108.8°	109.5°
O2	C7	O1	111.2°	109.5°
O2	C7	H7	107.0°	109.5°
C7	O1	N2	117.1°	114.0°
O1	C7	H7	109.1°	109.4°
O1	N2	C6	120.3°	120.0°
N2	C6	C5	120.9°	120.0°
N2	C6	H6	119.5°	120.0°
C6	C5	C12	118.5°	120.0°
C6	C5	C4	121.6°	120.0°
C5	C6	H6	119.5°	120.0°
C12	C5	C4	119.9°	120.0°
C5	C12	C13	119.9°	120.0°
C5	C12	H12	120.1°	120.0°
C5	C4	C3	120.3°	120.0°
C5	C4	H4	119.8°	120.1°
C12	C13	C2	120.8°	120.0°
C13	C12	H12	120.1°	120.0°
C12	C13	H13	119.6°	120.0°
C4	C3	C2	119.5°	120.0°
C4	C3	H3	120.2°	120.0°
C3	C4	H4	119.8°	120.0°
C13	C2	C3	119.6°	120.0°
C13	C2	C1	118.7°	120.0°
C2	C13	H13	119.6°	120.0°
C3	C2	C1	121.8°	120.0°
C2	C3	H3	120.3°	120.0°
C2	C1	N1	119.5°	120.0°
C2	C1	N3	120.6°	120.0°
N1	C1	N3	119.9°	120.0°
C1	N1	HN1	120.0°	120.0°
C1	N1	HN1A	120.0°	120.0°
C1	N3	HN3	112.0°	119.9°
HN1	N1	HN1A	120.0°	120.0°
H8	C8	H8A	110.2°	109.5°
H9	C9	H9A	110.5°	109.6°
H10	C10	H10A	110.7°	109.6°
H11	C11	H11A	110.1°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H9	120.0°	119.9°
C10	C9	C8	H9A	120.0°	119.9°
C9	C10	C11	H10	120.0°	120.0°
C9	C10	C11	H10A	120.0°	119.8°
C10	C9	C8	O2	19.5°	57.6°
C9	C10	C11	C7	27.9°	56.9°
C10	C9	C8	H8	100.5°	177.6°
C10	C9	C8	H8A	139.5°	62.4°
C10	C9	H9	H9A	118.7°	120.2°
C9	C10	H10	H10A	118.5°	120.2°
C9	C10	C11	H11	92.1°	176.9°
C9	C10	C11	H11A	147.9°	62.9°
C8	C9	C10	C11	53.5°	56.9°
C9	C8	O2	H8	120.0°	120.0°
C9	C8	O2	H8A	120.0°	120.0°
C9	C8	O2	C7	39.7°	61.1°
C9	C8	H8	H8A	119.0°	120.0°
C8	C9	H9	H9A	118.7°	120.2°
C8	C9	C10	H10	173.4°	176.8°
C8	C9	C10	H10A	66.5°	62.9°
C10	C11	C7	H11	120.0°	120.0°
C10	C11	C7	H11A	120.0°	119.8°
C10	C11	C7	O2	28.3°	57.6°
C10	C11	C7	O1	94.7°	177.6°
C10	C11	C7	H7	146.1°	62.5°
C11	C10	C9	H9	173.4°	62.9°
C11	C10	C9	H9A	66.5°	176.9°
C11	C10	H10	H10A	118.4°	120.1°
C10	C11	H11	H11A	119.1°	120.2°
C8	O2	C7	C11	66.6°	61.1°
C8	O2	C7	O1	55.1°	178.9°
C8	O2	C7	H7	174.2°	58.9°
O2	C8	H8	H8A	119.0°	120.0°
O2	C8	C9	H9	139.5°	62.3°
O2	C8	C9	H9A	100.5°	177.5°
C11	C7	O2	O1	121.7°	120.0°
C11	C7	O2	H7	119.2°	120.0°
C11	C7	O1	H7	119.3°	120.0°
C11	C7	O1	N2	111.8°	150.0°
C7	C11	C10	H10	147.9°	176.9°
C7	C11	C10	H10A	92.1°	62.9°
C7	C11	H11	H11A	119.2°	120.1°
O2	C7	O1	H7	117.8°	120.0°
O2	C7	O1	N2	125.3°	90.0°
C7	O2	C8	H8	159.7°	178.9°
C7	O2	C8	H8A	80.3°	58.9°
O2	C7	C11	H11	148.2°	177.6°
O2	C7	C11	H11A	91.7°	62.2°
C7	O1	N2	C6	153.6°	180.0°
O1	C7	C11	H11	25.3°	62.4°
O1	C7	C11	H11A	145.3°	57.8°
O1	N2	C6	C5	180.0°	180.0°
O1	N2	C6	H6	0.0°	0.0°
N2	O1	C7	H7	7.5°	30.1°
N2	C6	C5	H6	180.0°	180.0°
N2	C6	C5	C12	164.1°	180.0°
N2	C6	C5	C4	15.8°	0.3°
C6	C5	C12	C4	179.8°	179.7°
C6	C5	C12	C13	179.9°	180.0°
C6	C5	C4	C3	179.8°	179.8°
C6	C5	C4	H4	0.2°	0.3°
C6	C5	C12	H12	0.1°	0.3°
C5	C12	C13	H12	180.0°	179.7°
C12	C5	C4	C3	0.0°	0.1°
C5	C12	C13	C2	0.3°	0.5°
C12	C5	C4	H4	179.9°	180.0°
C12	C5	C6	H6	16.0°	0.0°
C5	C12	C13	H13	179.7°	180.0°
C4	C5	C12	C13	0.1°	0.3°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C2	0.6°	0.1°
C5	C4	C3	H3	179.4°	180.0°
C4	C5	C6	H6	164.2°	179.7°
C4	C5	C12	H12	179.9°	180.0°
C12	C13	C2	H13	180.0°	179.5°
C12	C13	C2	C3	0.8°	0.5°
C12	C13	C2	C1	179.8°	179.8°
C4	C3	C2	C13	0.9°	0.3°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	179.7°	180.0°
C13	C2	C3	C1	179.4°	179.7°
C13	C2	C1	N1	5.0°	0.3°
C13	C2	C1	N3	175.0°	180.0°
C13	C2	C3	H3	179.0°	179.8°
C2	C13	C12	H12	179.7°	179.8°
C3	C2	C1	N1	174.4°	180.0°
C3	C2	C1	N3	5.6°	0.3°
C2	C3	C4	H4	179.4°	180.0°
C3	C2	C13	H13	179.1°	180.0°
C2	C1	N1	N3	180.0°	179.7°
C2	C1	N1	HN1	180.0°	179.7°
C2	C1	N1	HN1A	0.0°	0.3°
C1	C2	C3	H3	0.4°	0.0°
C2	C1	N3	HN3	180.0°	179.8°
C1	C2	C13	H13	0.3°	0.3°
C1	N1	HN1	HN1A	180.0°	180.0°
N1	C1	N3	HN3	0.0°	0.1°
N3	C1	N1	HN1	0.0°	0.0°
N3	C1	N1	HN1A	180.0°	180.0°
H3	C3	C4	H4	0.6°	0.0°
H7	C7	C11	H11	94.0°	57.5°
H7	C7	C11	H11A	26.1°	177.7°
H8	C8	C9	H9	19.5°	57.7°
H8	C8	C9	H9A	139.5°	62.5°
H8A	C8	C9	H9	100.5°	177.7°
H8A	C8	C9	H9A	19.6°	57.5°
H9	C9	C10	H10	66.6°	57.0°
H9	C9	C10	H10A	53.5°	177.2°
H9A	C9	C10	H10	53.5°	63.2°
H9A	C9	C10	H10A	173.5°	57.1°
H10	C10	C11	H11	27.9°	63.2°
H10	C10	C11	H11A	92.1°	57.0°
H10A	C10	C11	H11	147.9°	57.0°
H10A	C10	C11	H11A	27.9°	177.3°
H12	C12	C13	H13	0.3°	0.3°

Definition date:	2009-10-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3A7W