M83
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C10 | doub | 1.22Å | 1.25Å | |
C10 | O | sing | 1.35Å | 1.25Å | |
C10 | C9 | sing | 1.46Å | 1.46Å | |
C9 | C8 | doub | 1.38Å | 1.35Å | Aromatic |
C9 | O2 | sing | 1.35Å | 1.38Å | Aromatic |
C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
O2 | C6 | sing | 1.34Å | 1.38Å | Aromatic |
C7 | C6 | doub | 1.37Å | 1.36Å | Aromatic |
C6 | C5 | sing | 1.48Å | 1.46Å | |
C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
C5 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
C1 | C | sing | 1.43Å | 1.44Å | |
C | N | trip | 1.14Å | 1.14Å | |
O | H1 | sing | 0.97Å | 0.95Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C3 | H5 | sing | 1.08Å | 1.08Å | |
C2 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C10 | O | 125.7° | 120.0° |
O1 | C10 | C9 | 113.9° | 120.0° |
O | C10 | C9 | 120.4° | 120.0° |
C10 | O | H1 | 109.5° | 114.0° |
C10 | C9 | C8 | 128.2° | 125.9° |
C10 | C9 | O2 | 121.5° | 125.9° |
C8 | C9 | O2 | 110.3° | 108.1° |
C9 | C8 | C7 | 107.1° | 106.7° |
C9 | C8 | H2 | 126.5° | 126.7° |
C9 | O2 | C6 | 105.7° | 109.3° |
C8 | C7 | C6 | 107.2° | 107.1° |
C7 | C8 | H2 | 126.4° | 126.6° |
C8 | C7 | H3 | 126.4° | 126.5° |
O2 | C6 | C7 | 109.7° | 108.7° |
O2 | C6 | C5 | 117.6° | 125.6° |
C7 | C6 | C5 | 132.7° | 125.7° |
C6 | C7 | H3 | 126.4° | 126.4° |
C6 | C5 | C4 | 120.7° | 120.1° |
C6 | C5 | C11 | 119.9° | 120.1° |
C4 | C5 | C11 | 119.2° | 119.8° |
C5 | C4 | C3 | 120.4° | 120.1° |
C5 | C4 | H4 | 119.8° | 119.9° |
C5 | C11 | C1 | 120.3° | 119.7° |
C5 | C11 | H7 | 119.9° | 120.1° |
C4 | C3 | C2 | 120.3° | 120.3° |
C3 | C4 | H4 | 119.8° | 119.9° |
C4 | C3 | H5 | 119.9° | 119.8° |
C11 | C1 | C2 | 120.0° | 119.8° |
C11 | C1 | C | 119.5° | 120.0° |
C1 | C11 | H7 | 119.8° | 120.2° |
C3 | C2 | C1 | 119.8° | 120.2° |
C2 | C3 | H5 | 119.9° | 119.9° |
C3 | C2 | H6 | 120.1° | 119.9° |
C2 | C1 | C | 120.4° | 120.1° |
C1 | C2 | H6 | 120.1° | 119.9° |
C1 | C | N | 178.3° | 179.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C10 | O | C9 | 178.9° | 179.8° |
O1 | C10 | C9 | C8 | 8.0° | 0.1° |
O1 | C10 | C9 | O2 | 174.2° | 179.7° |
O1 | C10 | O | H1 | 0.0° | 0.0° |
O | C10 | C9 | C8 | 171.0° | 179.7° |
O | C10 | C9 | O2 | 6.8° | 0.6° |
C10 | C9 | C8 | O2 | 178.0° | 179.8° |
C10 | C9 | C8 | C7 | 177.5° | 180.0° |
C10 | C9 | O2 | C6 | 177.7° | 179.9° |
C9 | C10 | O | H1 | 178.9° | 179.8° |
C10 | C9 | C8 | H2 | 2.5° | 0.0° |
C9 | C8 | C7 | H2 | 180.0° | 180.0° |
C8 | C9 | O2 | C6 | 0.4° | 0.3° |
C9 | C8 | C7 | C6 | 0.4° | 0.0° |
C9 | C8 | C7 | H3 | 179.6° | 180.0° |
O2 | C9 | C8 | C7 | 0.5° | 0.2° |
C9 | O2 | C6 | C7 | 0.1° | 0.3° |
C9 | O2 | C6 | C5 | 178.4° | 179.8° |
O2 | C9 | C8 | H2 | 179.5° | 179.8° |
C8 | C7 | C6 | O2 | 0.2° | 0.2° |
C8 | C7 | C6 | H3 | 180.0° | 180.0° |
C8 | C7 | C6 | C5 | 177.7° | 180.0° |
O2 | C6 | C7 | C5 | 177.9° | 179.8° |
O2 | C6 | C5 | C4 | 3.1° | 179.8° |
O2 | C6 | C5 | C11 | 179.1° | 0.0° |
O2 | C6 | C7 | H3 | 179.8° | 179.8° |
C7 | C6 | C5 | C4 | 179.1° | 0.0° |
C7 | C6 | C5 | C11 | 3.1° | 179.8° |
C6 | C7 | C8 | H2 | 179.6° | 180.0° |
C6 | C5 | C4 | C11 | 176.0° | 179.8° |
C6 | C5 | C4 | C3 | 178.8° | 180.0° |
C6 | C5 | C11 | C1 | 178.3° | 179.7° |
C5 | C6 | C7 | H3 | 2.3° | 0.0° |
C6 | C5 | C4 | H4 | 1.2° | 0.1° |
C6 | C5 | C11 | H7 | 1.7° | 0.0° |
C5 | C4 | C3 | H4 | 180.0° | 179.9° |
C4 | C5 | C11 | C1 | 2.2° | 0.5° |
C5 | C4 | C3 | C2 | 2.2° | 0.0° |
C5 | C4 | C3 | H5 | 177.9° | 180.0° |
C4 | C5 | C11 | H7 | 177.8° | 179.8° |
C11 | C5 | C4 | C3 | 2.7° | 0.2° |
C5 | C11 | C1 | H7 | 180.0° | 179.7° |
C5 | C11 | C1 | C2 | 1.1° | 0.6° |
C5 | C11 | C1 | C | 179.4° | 180.0° |
C11 | C5 | C4 | H4 | 177.2° | 179.7° |
C4 | C3 | C2 | H5 | 180.0° | 180.0° |
C4 | C3 | C2 | C1 | 1.0° | 0.0° |
C4 | C3 | C2 | H6 | 179.0° | 180.0° |
C11 | C1 | C2 | C3 | 0.5° | 0.3° |
C11 | C1 | C2 | C | 178.2° | 179.4° |
C11 | C1 | C | N | 2.1° | 141.4° |
C11 | C1 | C2 | H6 | 179.5° | 179.7° |
C3 | C2 | C1 | H6 | 180.0° | 179.9° |
C3 | C2 | C1 | C | 178.7° | 179.7° |
C2 | C3 | C4 | H4 | 177.8° | 179.9° |
C2 | C1 | C | N | 179.7° | 39.2° |
C1 | C2 | C3 | H5 | 179.0° | 180.0° |
C2 | C1 | C11 | H7 | 178.9° | 179.7° |
C | C1 | C2 | H6 | 1.3° | 0.3° |
C | C1 | C11 | H7 | 0.6° | 0.3° |
H2 | C8 | C7 | H3 | 0.4° | 0.1° |
H4 | C4 | C3 | H5 | 2.2° | 0.1° |
H5 | C3 | C2 | H6 | 1.0° | 0.0° |