V2L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C5 | doub | 1.38Å | 1.30Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.31Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.33Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.27Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.49Å | |
| C6 | N | sing | 1.46Å | 1.41Å | |
| N | C7 | sing | 1.37Å | 1.30Å | Aromatic |
| N | C9 | sing | 1.35Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.33Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.43Å | |
| C9 | N1 | doub | 1.31Å | 1.29Å | Aromatic |
| C8 | N1 | sing | 1.34Å | 1.31Å | Aromatic |
| C10 | N2 | sing | 1.47Å | 1.52Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| N2 | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C | C1 | 118.6° | 120.0° |
| C | C5 | C4 | 120.0° | 120.0° |
| C | C5 | H7 | 120.0° | 120.0° |
| C5 | C | H14 | 120.7° | 120.0° |
| C | C1 | C2 | 121.3° | 120.0° |
| C | C1 | H6 | 119.4° | 120.0° |
| C1 | C | H14 | 120.7° | 120.0° |
| C5 | C4 | C3 | 118.1° | 120.0° |
| C4 | C5 | H7 | 120.0° | 120.0° |
| C5 | C4 | H10 | 121.0° | 120.0° |
| C1 | C2 | C3 | 121.1° | 120.0° |
| C2 | C1 | H6 | 119.4° | 120.1° |
| C1 | C2 | H11 | 119.4° | 119.9° |
| C4 | C3 | C2 | 120.8° | 120.0° |
| C4 | C3 | C6 | 120.7° | 120.0° |
| C3 | C4 | H10 | 120.9° | 120.0° |
| C2 | C3 | C6 | 117.8° | 120.0° |
| C3 | C2 | H11 | 119.5° | 120.0° |
| C3 | C6 | N | 112.7° | 109.5° |
| C3 | C6 | H8 | 108.6° | 109.5° |
| C3 | C6 | H9 | 108.6° | 109.4° |
| C6 | N | C7 | 123.0° | 126.4° |
| C6 | N | C9 | 130.5° | 126.4° |
| N | C6 | H8 | 108.6° | 109.5° |
| N | C6 | H9 | 108.6° | 109.5° |
| C7 | N | C9 | 106.5° | 107.2° |
| N | C7 | C8 | 107.3° | 106.8° |
| N | C7 | H1 | 126.4° | 126.5° |
| N | C9 | C10 | 129.7° | 125.7° |
| N | C9 | N1 | 110.2° | 108.7° |
| C7 | C8 | N1 | 110.2° | 108.0° |
| C8 | C7 | H1 | 126.4° | 126.6° |
| C7 | C8 | H2 | 124.9° | 126.0° |
| C10 | C9 | N1 | 120.0° | 125.6° |
| C9 | C10 | N2 | 107.4° | 109.5° |
| C9 | C10 | H12 | 110.0° | 109.4° |
| C9 | C10 | H13 | 110.0° | 109.4° |
| C9 | N1 | C8 | 105.8° | 109.2° |
| N1 | C8 | H2 | 124.9° | 126.0° |
| C10 | N2 | H3 | 109.5° | 111.0° |
| C10 | N2 | H4 | 109.5° | 111.0° |
| N2 | C10 | H12 | 110.0° | 109.5° |
| N2 | C10 | H13 | 110.0° | 109.5° |
| H3 | N2 | H4 | 109.5° | 111.0° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C | C1 | H14 | 180.0° | 179.9° |
| C | C5 | C4 | H7 | 180.0° | 179.7° |
| C5 | C | C1 | C2 | 1.4° | 0.0° |
| C | C5 | C4 | C3 | 0.3° | 0.3° |
| C5 | C | C1 | H6 | 178.6° | 179.7° |
| C | C5 | C4 | H10 | 179.7° | 179.7° |
| C1 | C | C5 | C4 | 1.6° | 0.0° |
| C | C1 | C2 | H6 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.9° | 0.3° |
| C1 | C | C5 | H7 | 178.4° | 179.7° |
| C | C1 | C2 | H11 | 179.1° | 179.7° |
| C5 | C4 | C3 | H10 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.7° | 0.6° |
| C5 | C4 | C3 | C6 | 167.8° | 180.0° |
| C4 | C5 | C | H14 | 178.3° | 179.9° |
| C1 | C2 | C3 | C4 | 3.0° | 0.6° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | C6 | 167.7° | 180.0° |
| C2 | C1 | C | H14 | 178.6° | 179.9° |
| C4 | C3 | C2 | C6 | 170.7° | 179.4° |
| C4 | C3 | C6 | N | 171.6° | 90.0° |
| C3 | C4 | C5 | H7 | 179.6° | 180.0° |
| C4 | C3 | C6 | H8 | 68.0° | 149.9° |
| C4 | C3 | C6 | H9 | 51.1° | 30.0° |
| C4 | C3 | C2 | H11 | 177.0° | 179.4° |
| C2 | C3 | C6 | N | 0.8° | 90.6° |
| C3 | C2 | C1 | H6 | 179.1° | 180.0° |
| C2 | C3 | C6 | H8 | 121.3° | 29.5° |
| C2 | C3 | C6 | H9 | 119.7° | 149.4° |
| C2 | C3 | C4 | H10 | 177.3° | 179.4° |
| C3 | C6 | N | H8 | 120.5° | 120.0° |
| C3 | C6 | N | H9 | 120.5° | 120.0° |
| C3 | C6 | N | C7 | 84.4° | 95.0° |
| C3 | C6 | N | C9 | 94.0° | 85.0° |
| C3 | C6 | H8 | H9 | 118.5° | 119.9° |
| C6 | C3 | C4 | H10 | 12.2° | 0.0° |
| C6 | C3 | C2 | H11 | 12.3° | 0.0° |
| C6 | N | C7 | C9 | 178.7° | 180.0° |
| C6 | N | C7 | C8 | 178.2° | 180.0° |
| C6 | N | C9 | C10 | 5.2° | 0.0° |
| C6 | N | C9 | N1 | 177.5° | 180.0° |
| C6 | N | C7 | H1 | 1.8° | 0.0° |
| N | C6 | H8 | H9 | 118.5° | 120.0° |
| N | C7 | C8 | H1 | 180.0° | 180.0° |
| C7 | N | C9 | C10 | 176.2° | 180.0° |
| C7 | N | C9 | N1 | 1.1° | 0.0° |
| N | C7 | C8 | N1 | 0.2° | 0.0° |
| N | C7 | C8 | H2 | 179.9° | 180.0° |
| C7 | N | C6 | H8 | 36.1° | 145.0° |
| C7 | N | C6 | H9 | 155.1° | 25.0° |
| C9 | N | C7 | C8 | 0.6° | 0.0° |
| N | C9 | C10 | N1 | 177.1° | 179.9° |
| N | C9 | N1 | C8 | 1.2° | 0.0° |
| N | C9 | C10 | N2 | 29.6° | 90.0° |
| C9 | N | C7 | H1 | 179.4° | 180.0° |
| C9 | N | C6 | H8 | 145.5° | 35.0° |
| C9 | N | C6 | H9 | 26.5° | 155.0° |
| N | C9 | C10 | H12 | 90.0° | 150.0° |
| N | C9 | C10 | H13 | 149.3° | 30.1° |
| C7 | C8 | N1 | C9 | 0.8° | 0.0° |
| C7 | C8 | N1 | H2 | 180.0° | 180.0° |
| C10 | C9 | N1 | C8 | 176.5° | 180.0° |
| C9 | C10 | N2 | H12 | 119.7° | 120.0° |
| C9 | C10 | N2 | H13 | 119.7° | 120.0° |
| C9 | C10 | N2 | H3 | 180.0° | 56.0° |
| C9 | C10 | N2 | H4 | 60.0° | 180.0° |
| C9 | C10 | H12 | H13 | 121.0° | 120.0° |
| N1 | C9 | C10 | N2 | 147.5° | 90.0° |
| C9 | N1 | C8 | H2 | 179.2° | 180.0° |
| N1 | C9 | C10 | H12 | 92.9° | 30.0° |
| N1 | C9 | C10 | H13 | 27.8° | 150.0° |
| N1 | C8 | C7 | H1 | 179.8° | 180.0° |
| C10 | N2 | H3 | H4 | 120.0° | 123.9° |
| N2 | C10 | H12 | H13 | 121.0° | 120.1° |
| H1 | C7 | C8 | H2 | 0.1° | 0.0° |
| H3 | N2 | C10 | H12 | 60.3° | 176.0° |
| H3 | N2 | C10 | H13 | 60.3° | 63.9° |
| H4 | N2 | C10 | H12 | 179.6° | 60.1° |
| H4 | N2 | C10 | H13 | 59.7° | 60.0° |
| H6 | C1 | C2 | H11 | 0.9° | 0.0° |
| H6 | C1 | C | H14 | 1.4° | 0.2° |
| H7 | C5 | C4 | H10 | 0.4° | 0.0° |
| H7 | C5 | C | H14 | 1.6° | 0.2° |
