J9W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.43Å | Aromatic |
C09 | C04 | sing | 1.40Å | 1.36Å | Aromatic |
C09 | C10 | sing | 1.48Å | 1.42Å | |
C04 | O03 | sing | 1.35Å | 1.39Å | |
O11 | C10 | doub | 1.22Å | 1.22Å | |
C10 | N12 | sing | 1.35Å | 1.35Å | |
O03 | C02 | sing | 1.34Å | 1.37Å | |
N12 | C02 | sing | 1.34Å | 1.36Å | |
C02 | O01 | doub | 1.22Å | 1.22Å | |
N12 | H1 | sing | 0.97Å | 1.00Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C06 | C07 | C08 | 121.2° | 120.3° |
C07 | C06 | C05 | 118.6° | 120.6° |
C07 | C06 | H3 | 120.7° | 119.7° |
C06 | C07 | H4 | 119.4° | 119.9° |
C07 | C08 | C09 | 119.7° | 119.5° |
C08 | C07 | H4 | 119.4° | 119.8° |
C07 | C08 | H5 | 120.1° | 120.2° |
C06 | C05 | C04 | 120.9° | 119.8° |
C06 | C05 | H2 | 119.5° | 120.1° |
C05 | C06 | H3 | 120.7° | 119.7° |
C08 | C09 | C04 | 119.6° | 120.2° |
C08 | C09 | C10 | 120.5° | 121.6° |
C09 | C08 | H5 | 120.1° | 120.3° |
C05 | C04 | C09 | 120.0° | 119.6° |
C05 | C04 | O03 | 121.3° | 121.4° |
C04 | C05 | H2 | 119.6° | 120.1° |
C04 | C09 | C10 | 119.9° | 118.2° |
C09 | C04 | O03 | 118.6° | 119.1° |
C09 | C10 | O11 | 120.2° | 121.0° |
C09 | C10 | N12 | 119.5° | 117.9° |
C04 | O03 | C02 | 121.2° | 121.2° |
O11 | C10 | N12 | 120.3° | 121.1° |
C10 | N12 | C02 | 121.0° | 120.7° |
C10 | N12 | H1 | 119.5° | 119.6° |
O03 | C02 | N12 | 119.7° | 122.9° |
O03 | C02 | O01 | 119.7° | 118.6° |
N12 | C02 | O01 | 120.6° | 118.5° |
C02 | N12 | H1 | 119.5° | 119.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C06 | C07 | C08 | H4 | 180.0° | 180.0° |
C07 | C06 | C05 | H3 | 180.0° | 179.9° |
C06 | C07 | C08 | C09 | 0.9° | 0.1° |
C07 | C06 | C05 | C04 | 0.4° | 0.1° |
C07 | C06 | C05 | H2 | 179.5° | 180.0° |
C06 | C07 | C08 | H5 | 179.2° | 180.0° |
C08 | C07 | C06 | C05 | 0.9° | 0.1° |
C07 | C08 | C09 | H5 | 180.0° | 179.9° |
C07 | C08 | C09 | C04 | 0.3° | 0.1° |
C07 | C08 | C09 | C10 | 179.5° | 180.0° |
C08 | C07 | C06 | H3 | 179.1° | 180.0° |
C06 | C05 | C04 | H2 | 180.0° | 179.9° |
C06 | C05 | C04 | C09 | 0.1° | 0.1° |
C06 | C05 | C04 | O03 | 179.7° | 180.0° |
C05 | C06 | C07 | H4 | 179.1° | 179.9° |
C08 | C09 | C04 | C05 | 0.2° | 0.1° |
C08 | C09 | C04 | C10 | 179.2° | 179.9° |
C08 | C09 | C04 | O03 | 179.8° | 180.0° |
C08 | C09 | C10 | O11 | 0.1° | 0.2° |
C08 | C09 | C10 | N12 | 178.3° | 180.0° |
C09 | C08 | C07 | H4 | 179.1° | 179.9° |
C05 | C04 | C09 | O03 | 179.6° | 179.9° |
C05 | C04 | C09 | C10 | 179.0° | 180.0° |
C05 | C04 | O03 | C02 | 177.6° | 180.0° |
C04 | C05 | C06 | H3 | 179.6° | 180.0° |
C04 | C09 | C10 | O11 | 179.3° | 179.7° |
C04 | C09 | C10 | N12 | 0.9° | 0.1° |
C09 | C04 | O03 | C02 | 2.0° | 0.0° |
C09 | C04 | C05 | H2 | 179.9° | 180.0° |
C04 | C09 | C08 | H5 | 179.7° | 180.0° |
C10 | C09 | C04 | O03 | 0.7° | 0.1° |
C09 | C10 | O11 | N12 | 178.4° | 179.8° |
C09 | C10 | N12 | C02 | 1.1° | 0.0° |
C09 | C10 | N12 | H1 | 178.9° | 179.9° |
C10 | C09 | C08 | H5 | 0.6° | 0.1° |
C04 | O03 | C02 | N12 | 1.8° | 0.0° |
C04 | O03 | C02 | O01 | 178.3° | 180.0° |
O03 | C04 | C05 | H2 | 0.3° | 0.1° |
O11 | C10 | N12 | C02 | 179.5° | 179.7° |
O11 | C10 | N12 | H1 | 0.5° | 0.3° |
C10 | N12 | C02 | O03 | 0.2° | 0.0° |
C10 | N12 | C02 | H1 | 180.0° | 180.0° |
C10 | N12 | C02 | O01 | 179.9° | 180.0° |
O03 | C02 | N12 | O01 | 179.8° | 180.0° |
O03 | C02 | N12 | H1 | 179.7° | 180.0° |
O01 | C02 | N12 | H1 | 0.1° | 0.0° |
H2 | C05 | C06 | H3 | 0.4° | 0.1° |
H3 | C06 | C07 | H4 | 0.9° | 0.0° |
H4 | C07 | C08 | H5 | 0.8° | 0.1° |