L5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.74Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C5 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C8 | sing | 1.48Å | 1.46Å | |
| C8 | N9 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | N12 | sing | 1.34Å | 1.34Å | Aromatic |
| N9 | N10 | sing | 1.40Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.31Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C3 | 119.2° | 120.0° |
| CL1 | C2 | N7 | 115.8° | 119.9° |
| C3 | C2 | N7 | 125.0° | 120.1° |
| C2 | C3 | N4 | 121.3° | 120.2° |
| C2 | C3 | H3 | 119.4° | 119.9° |
| C2 | N7 | C6 | 113.7° | 119.9° |
| C3 | N4 | C5 | 115.1° | 120.1° |
| N4 | C3 | H3 | 119.4° | 119.9° |
| N4 | C5 | C6 | 122.9° | 119.9° |
| N4 | C5 | H5 | 118.6° | 120.0° |
| C5 | C6 | N7 | 122.0° | 119.8° |
| C5 | C6 | C8 | 121.9° | 120.0° |
| C6 | C5 | H5 | 118.5° | 120.1° |
| N7 | C6 | C8 | 116.1° | 120.2° |
| C6 | C8 | N9 | 125.3° | 125.6° |
| C6 | C8 | N12 | 126.3° | 125.7° |
| N9 | C8 | N12 | 108.4° | 108.7° |
| C8 | N9 | N10 | 107.1° | 106.7° |
| C8 | N12 | C11 | 107.7° | 109.8° |
| N9 | N10 | C11 | 107.3° | 106.5° |
| N9 | N10 | H10 | 126.4° | 126.8° |
| N10 | C11 | N12 | 109.5° | 108.3° |
| C11 | N10 | H10 | 126.4° | 126.8° |
| N10 | C11 | H11 | 125.2° | 125.8° |
| N12 | C11 | H11 | 125.2° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C3 | N7 | 180.0° | 179.7° |
| CL1 | C2 | C3 | N4 | 180.0° | 180.0° |
| CL1 | C2 | N7 | C6 | 180.0° | 179.8° |
| CL1 | C2 | C3 | H3 | 0.0° | 0.0° |
| C2 | C3 | N4 | H3 | 180.0° | 180.0° |
| C2 | C3 | N4 | C5 | 0.1° | 0.0° |
| C3 | C2 | N7 | C6 | 0.0° | 0.6° |
| N7 | C2 | C3 | N4 | 0.0° | 0.3° |
| C2 | N7 | C6 | C5 | 0.1° | 0.6° |
| C2 | N7 | C6 | C8 | 179.9° | 179.7° |
| N7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C3 | N4 | C5 | C6 | 0.0° | 0.0° |
| C3 | N4 | C5 | H5 | 180.0° | 179.9° |
| N4 | C5 | C6 | H5 | 180.0° | 180.0° |
| N4 | C5 | C6 | N7 | 0.1° | 0.3° |
| N4 | C5 | C6 | C8 | 179.9° | 180.0° |
| C5 | N4 | C3 | H3 | 179.9° | 180.0° |
| C5 | C6 | N7 | C8 | 179.8° | 179.7° |
| C5 | C6 | C8 | N9 | 174.3° | 180.0° |
| C5 | C6 | C8 | N12 | 5.8° | 0.3° |
| N7 | C6 | C8 | N9 | 5.9° | 0.2° |
| N7 | C6 | C8 | N12 | 174.0° | 180.0° |
| N7 | C6 | C5 | H5 | 179.9° | 179.8° |
| C6 | C8 | N9 | N12 | 179.9° | 179.8° |
| C6 | C8 | N9 | N10 | 179.9° | 180.0° |
| C6 | C8 | N12 | C11 | 179.9° | 179.8° |
| C8 | C6 | C5 | H5 | 0.1° | 0.0° |
| C8 | N9 | N10 | C11 | 0.0° | 0.0° |
| N9 | C8 | N12 | C11 | 0.0° | 0.4° |
| C8 | N9 | N10 | H10 | 180.0° | 180.0° |
| N12 | C8 | N9 | N10 | 0.0° | 0.2° |
| C8 | N12 | C11 | N10 | 0.0° | 0.5° |
| C8 | N12 | C11 | H11 | 180.0° | 179.9° |
| N9 | N10 | C11 | H10 | 180.0° | 180.0° |
| N9 | N10 | C11 | N12 | 0.0° | 0.3° |
| N9 | N10 | C11 | H11 | 180.0° | 180.0° |
| N10 | C11 | N12 | H11 | 180.0° | 179.7° |
| N12 | C11 | N10 | H10 | 179.9° | 179.7° |
| H10 | N10 | C11 | H11 | 0.0° | 0.1° |
