5KX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N06 | C05 | sing | 1.34Å | 1.34Å | Aromatic |
N06 | C02 | doub | 1.31Å | 1.35Å | Aromatic |
C05 | C04 | doub | 1.35Å | 1.37Å | Aromatic |
C02 | CL1 | sing | 1.74Å | 1.74Å | |
C02 | N03 | sing | 1.35Å | 1.36Å | Aromatic |
C04 | N03 | sing | 1.37Å | 1.35Å | Aromatic |
N03 | H1 | sing | 0.97Å | 1.00Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C05 | N06 | C02 | 108.9° | 109.3° |
N06 | C05 | C04 | 107.7° | 108.0° |
N06 | C05 | H3 | 126.2° | 125.9° |
N06 | C02 | CL1 | 126.3° | 125.7° |
N06 | C02 | N03 | 107.6° | 108.7° |
C05 | C04 | N03 | 107.7° | 106.9° |
C05 | C04 | H2 | 126.1° | 126.6° |
C04 | C05 | H3 | 126.2° | 126.0° |
CL1 | C02 | N03 | 126.1° | 125.7° |
C02 | N03 | C04 | 108.1° | 107.2° |
C02 | N03 | H1 | 125.9° | 126.4° |
C04 | N03 | H1 | 126.0° | 126.5° |
N03 | C04 | H2 | 126.1° | 126.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N06 | C05 | C04 | H3 | 180.0° | 179.8° |
C05 | N06 | C02 | CL1 | 179.7° | 179.9° |
C05 | N06 | C02 | N03 | 0.4° | 0.4° |
N06 | C05 | C04 | N03 | 0.5° | 0.2° |
N06 | C05 | C04 | H2 | 179.5° | 179.7° |
C02 | N06 | C05 | C04 | 0.0° | 0.4° |
N06 | C02 | CL1 | N03 | 179.2° | 179.6° |
N06 | C02 | N03 | C04 | 0.8° | 0.3° |
N06 | C02 | N03 | H1 | 179.2° | 179.8° |
C02 | N06 | C05 | H3 | 180.0° | 179.8° |
C05 | C04 | N03 | C02 | 0.8° | 0.0° |
C05 | C04 | N03 | H2 | 180.0° | 180.0° |
C05 | C04 | N03 | H1 | 179.2° | 180.0° |
CL1 | C02 | N03 | C04 | 179.9° | 180.0° |
CL1 | C02 | N03 | H1 | 0.1° | 0.1° |
C02 | N03 | C04 | H1 | 180.0° | 179.9° |
C02 | N03 | C04 | H2 | 179.2° | 180.0° |
N03 | C04 | C05 | H3 | 179.5° | 179.9° |
H1 | N03 | C04 | H2 | 0.8° | 0.1° |
H2 | C04 | C05 | H3 | 0.5° | 0.1° |