V9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.49Å | 1.49Å | |
| C7 | O8 | doub | 1.22Å | 1.23Å | |
| C7 | N9 | sing | 1.34Å | 1.38Å | |
| N9 | C10 | doub | 1.32Å | 1.34Å | |
| C10 | N11 | sing | 1.36Å | 1.34Å | |
| C2 | CL12 | sing | 1.74Å | 1.74Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.48Å | 1.48Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N11 | H11B | sing | 0.97Å | 1.00Å | |
| N11 | H11A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.0° | 120.3° |
| C1 | C2 | CL12 | 118.9° | 119.8° |
| C2 | C1 | C6 | 117.5° | 119.7° |
| C2 | C1 | H1 | 121.3° | 120.2° |
| C2 | C3 | C4 | 119.3° | 120.4° |
| C3 | C2 | CL12 | 119.1° | 119.9° |
| C2 | C3 | H3 | 120.3° | 119.8° |
| C3 | C4 | C5 | 119.2° | 119.7° |
| C3 | C4 | H4 | 120.4° | 120.1° |
| C4 | C3 | H3 | 120.4° | 119.8° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C4 | C5 | C10 | 134.6° | 134.4° |
| C5 | C4 | H4 | 120.4° | 120.1° |
| C5 | C6 | C7 | 107.4° | 105.3° |
| C5 | C6 | C1 | 121.6° | 120.0° |
| C6 | C5 | C10 | 105.0° | 105.7° |
| C6 | C7 | O8 | 125.0° | 125.8° |
| C6 | C7 | N9 | 108.8° | 108.3° |
| C7 | C6 | C1 | 131.0° | 134.7° |
| O8 | C7 | N9 | 126.2° | 125.8° |
| C7 | N9 | C10 | 106.9° | 111.6° |
| N9 | C10 | N11 | 123.6° | 125.4° |
| N9 | C10 | C5 | 111.9° | 109.1° |
| N11 | C10 | C5 | 124.4° | 125.5° |
| C10 | N11 | H11B | 120.0° | 120.0° |
| C10 | N11 | H11A | 120.0° | 120.0° |
| C6 | C1 | H1 | 121.2° | 120.1° |
| H11B | N11 | H11A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | CL12 | 178.2° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.7° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.8° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | CL12 | 178.1° | 180.0° |
| C3 | C4 | C5 | C10 | 179.7° | 179.7° |
| C4 | C5 | C6 | C10 | 179.8° | 179.8° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C10 | N9 | 179.6° | 179.8° |
| C4 | C5 | C10 | N11 | 1.0° | 0.3° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C5 | C6 | C7 | C1 | 179.8° | 180.0° |
| C5 | C6 | C7 | O8 | 178.0° | 180.0° |
| C5 | C6 | C7 | N9 | 0.2° | 0.0° |
| C6 | C5 | C10 | N9 | 0.1° | 0.4° |
| C6 | C5 | C10 | N11 | 179.3° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 180.0° |
| C6 | C7 | O8 | N9 | 177.9° | 180.0° |
| C6 | C7 | N9 | C10 | 0.3° | 0.3° |
| C7 | C6 | C5 | C10 | 0.0° | 0.2° |
| C7 | C6 | C1 | H1 | 0.3° | 0.0° |
| O8 | C7 | N9 | C10 | 177.9° | 179.7° |
| O8 | C7 | C6 | C1 | 2.1° | 0.0° |
| C7 | N9 | C10 | N11 | 179.2° | 180.0° |
| N9 | C7 | C6 | C1 | 179.7° | 180.0° |
| C7 | N9 | C10 | C5 | 0.3° | 0.4° |
| N9 | C10 | N11 | C5 | 179.4° | 179.5° |
| N9 | C10 | N11 | H11B | 0.0° | 179.5° |
| N9 | C10 | N11 | H11A | 180.0° | 0.5° |
| C10 | N11 | H11B | H11A | 180.0° | 179.9° |
| CL12 | C2 | C1 | C6 | 178.0° | 180.0° |
| CL12 | C2 | C1 | H1 | 2.0° | 0.1° |
| CL12 | C2 | C3 | H3 | 1.9° | 0.1° |
| C1 | C6 | C5 | C10 | 179.8° | 179.8° |
| C10 | C5 | C4 | H4 | 0.3° | 0.3° |
| C5 | C10 | N11 | H11B | 179.4° | 0.0° |
| C5 | C10 | N11 | H11A | 0.6° | 180.0° |
| H4 | C4 | C3 | H3 | 0.0° | 0.0° |
