1MJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C10 | doub | 1.21Å | 1.20Å | |
C10 | C08 | sing | 1.47Å | 1.48Å | |
C07 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
C07 | N06 | sing | 1.31Å | 1.34Å | Aromatic |
C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
N06 | C05 | doub | 1.33Å | 1.34Å | Aromatic |
C09 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
C05 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
C05 | C01 | sing | 1.42Å | 1.40Å | Aromatic |
C04 | N03 | sing | 1.38Å | 1.32Å | Aromatic |
C01 | C02 | doub | 1.35Å | 1.38Å | Aromatic |
N03 | C02 | sing | 1.36Å | 1.35Å | Aromatic |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C02 | H2 | sing | 1.08Å | 1.08Å | |
N03 | H3 | sing | 0.97Å | 1.00Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C10 | C08 | 119.2° | 120.0° |
O11 | C10 | H7 | 120.4° | 120.0° |
C10 | C08 | C07 | 122.0° | 120.4° |
C10 | C08 | C09 | 120.2° | 120.4° |
C08 | C10 | H7 | 120.4° | 120.0° |
C08 | C07 | N06 | 121.6° | 121.1° |
C07 | C08 | C09 | 117.7° | 119.2° |
C08 | C07 | H4 | 119.2° | 119.5° |
C07 | N06 | C05 | 120.5° | 121.7° |
N06 | C07 | H4 | 119.2° | 119.4° |
C08 | C09 | C04 | 120.5° | 118.2° |
C08 | C09 | H5 | 119.8° | 120.9° |
N06 | C05 | C04 | 121.7° | 120.5° |
N06 | C05 | C01 | 132.4° | 133.1° |
C09 | C04 | C05 | 118.0° | 119.3° |
C09 | C04 | N03 | 132.4° | 133.6° |
C04 | C09 | H5 | 119.7° | 120.9° |
C04 | C05 | C01 | 105.9° | 106.3° |
C05 | C04 | N03 | 109.7° | 107.1° |
C05 | C01 | C02 | 106.4° | 108.0° |
C05 | C01 | H1 | 126.8° | 126.0° |
C04 | N03 | C02 | 108.5° | 108.8° |
C04 | N03 | H3 | 125.7° | 125.6° |
C01 | C02 | N03 | 109.5° | 109.7° |
C02 | C01 | H1 | 126.8° | 126.0° |
C01 | C02 | H2 | 125.2° | 125.1° |
N03 | C02 | H2 | 125.3° | 125.2° |
C02 | N03 | H3 | 125.7° | 125.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C10 | C08 | H7 | 180.0° | 180.0° |
O11 | C10 | C08 | C07 | 57.5° | 180.0° |
O11 | C10 | C08 | C09 | 123.7° | 0.2° |
C10 | C08 | C07 | C09 | 178.9° | 179.9° |
C10 | C08 | C07 | N06 | 179.1° | 180.0° |
C10 | C08 | C09 | C04 | 179.2° | 179.9° |
C10 | C08 | C07 | H4 | 0.9° | 0.2° |
C10 | C08 | C09 | H5 | 0.8° | 0.2° |
C08 | C07 | N06 | H4 | 180.0° | 179.8° |
C08 | C07 | N06 | C05 | 0.0° | 0.0° |
C07 | C08 | C09 | C04 | 0.3° | 0.3° |
C07 | C08 | C09 | H5 | 179.7° | 180.0° |
C07 | C08 | C10 | H7 | 122.5° | 0.0° |
N06 | C07 | C08 | C09 | 0.2° | 0.1° |
C07 | N06 | C05 | C04 | 0.1° | 0.0° |
C07 | N06 | C05 | C01 | 179.8° | 179.6° |
C08 | C09 | C04 | H5 | 180.0° | 179.7° |
C08 | C09 | C04 | C05 | 0.1° | 0.3° |
C08 | C09 | C04 | N03 | 180.0° | 180.0° |
C09 | C08 | C07 | H4 | 179.8° | 180.0° |
C09 | C08 | C10 | H7 | 56.4° | 179.9° |
N06 | C05 | C04 | C09 | 0.1° | 0.1° |
N06 | C05 | C04 | C01 | 179.7° | 179.7° |
N06 | C05 | C04 | N03 | 179.9° | 180.0° |
N06 | C05 | C01 | C02 | 179.9° | 180.0° |
N06 | C05 | C01 | H1 | 0.1° | 0.3° |
C05 | N06 | C07 | H4 | 180.0° | 179.8° |
C09 | C04 | C05 | N03 | 179.9° | 179.8° |
C09 | C04 | C05 | C01 | 179.8° | 179.8° |
C09 | C04 | N03 | C02 | 180.0° | 180.0° |
C09 | C04 | N03 | H3 | 0.0° | 0.0° |
C04 | C05 | C01 | C02 | 0.2° | 0.4° |
C05 | C04 | N03 | C02 | 0.0° | 0.2° |
C04 | C05 | C01 | H1 | 179.8° | 179.9° |
C05 | C04 | N03 | H3 | 180.0° | 179.8° |
C05 | C04 | C09 | H5 | 179.9° | 180.0° |
C01 | C05 | C04 | N03 | 0.1° | 0.4° |
C05 | C01 | C02 | H1 | 180.0° | 179.7° |
C05 | C01 | C02 | N03 | 0.3° | 0.2° |
C05 | C01 | C02 | H2 | 179.8° | 179.8° |
C04 | N03 | C02 | C01 | 0.2° | 0.0° |
C04 | N03 | C02 | H3 | 180.0° | 179.9° |
C04 | N03 | C02 | H2 | 179.8° | 180.0° |
N03 | C04 | C09 | H5 | 0.0° | 0.2° |
C01 | C02 | N03 | H2 | 180.0° | 180.0° |
C01 | C02 | N03 | H3 | 179.8° | 179.9° |
N03 | C02 | C01 | H1 | 179.7° | 179.9° |
H1 | C01 | C02 | H2 | 0.2° | 0.1° |
H2 | C02 | N03 | H3 | 0.2° | 0.1° |