ZVB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| N2 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.4° | 119.7° |
| C8 | C9 | C10 | 116.5° | 118.3° |
| C9 | C8 | H3 | 119.8° | 120.2° |
| C8 | C9 | H11 | 121.7° | 120.9° |
| C8 | C7 | N1 | 123.9° | 121.3° |
| C8 | C7 | H2 | 118.0° | 119.3° |
| C7 | C8 | H3 | 119.8° | 120.1° |
| C9 | C10 | N2 | 132.7° | 133.7° |
| C9 | C10 | C6 | 120.3° | 118.9° |
| C10 | C9 | H11 | 121.7° | 120.8° |
| C7 | N1 | C6 | 115.9° | 121.4° |
| N1 | C7 | H2 | 118.1° | 119.4° |
| N2 | C10 | C6 | 106.9° | 107.3° |
| C10 | N2 | C4 | 108.8° | 109.8° |
| C10 | N2 | H12 | 125.6° | 125.1° |
| C10 | C6 | N1 | 122.9° | 120.4° |
| C10 | C6 | C5 | 107.6° | 105.8° |
| N2 | C4 | C5 | 108.3° | 109.9° |
| N2 | C4 | C2 | 122.1° | 125.1° |
| C4 | N2 | H12 | 125.6° | 125.1° |
| N1 | C6 | C5 | 129.4° | 133.8° |
| C6 | C5 | C4 | 108.2° | 107.1° |
| C6 | C5 | H1 | 125.9° | 126.4° |
| C5 | C4 | C2 | 129.5° | 125.0° |
| C4 | C5 | H1 | 125.9° | 126.4° |
| C4 | C2 | C3 | 112.1° | 109.5° |
| C4 | C2 | C1 | 111.5° | 109.5° |
| C4 | C2 | H7 | 107.8° | 109.4° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C3 | C2 | H7 | 107.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.4° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C1 | C2 | H7 | 107.6° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H8 | C3 | H10 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C9 | C8 | C7 | N1 | 0.9° | 0.1° |
| C8 | C9 | C10 | N2 | 179.8° | 179.9° |
| C8 | C9 | C10 | C6 | 2.9° | 0.0° |
| C9 | C8 | C7 | H2 | 179.1° | 180.0° |
| C7 | C8 | C9 | C10 | 2.7° | 0.0° |
| C8 | C7 | N1 | H2 | 180.0° | 179.9° |
| C8 | C7 | N1 | C6 | 0.9° | 0.1° |
| C7 | C8 | C9 | H11 | 177.3° | 180.0° |
| C9 | C10 | N2 | C6 | 177.2° | 179.9° |
| C9 | C10 | N2 | C4 | 179.6° | 179.9° |
| C9 | C10 | C6 | N1 | 1.2° | 0.1° |
| C9 | C10 | C6 | C5 | 179.3° | 180.0° |
| C10 | C9 | C8 | H3 | 177.3° | 180.0° |
| C9 | C10 | N2 | H12 | 0.4° | 0.2° |
| C7 | N1 | C6 | C10 | 0.7° | 0.1° |
| C7 | N1 | C6 | C5 | 177.0° | 179.9° |
| N1 | C7 | C8 | H3 | 179.1° | 180.0° |
| C10 | N2 | C4 | H12 | 180.0° | 179.9° |
| N2 | C10 | C6 | N1 | 178.8° | 180.0° |
| N2 | C10 | C6 | C5 | 3.0° | 0.0° |
| C10 | N2 | C4 | C5 | 0.7° | 0.0° |
| C10 | N2 | C4 | C2 | 177.6° | 180.0° |
| N2 | C10 | C9 | H11 | 0.2° | 0.1° |
| C6 | C10 | N2 | C4 | 2.3° | 0.0° |
| C10 | C6 | N1 | C5 | 177.7° | 180.0° |
| C10 | C6 | C5 | C4 | 2.6° | 0.0° |
| C10 | C6 | C5 | H1 | 177.4° | 180.0° |
| C6 | C10 | C9 | H11 | 177.1° | 180.0° |
| C6 | C10 | N2 | H12 | 177.7° | 179.9° |
| N2 | C4 | C5 | C6 | 1.2° | 0.0° |
| N2 | C4 | C5 | C2 | 178.2° | 180.0° |
| N2 | C4 | C2 | C3 | 73.8° | 94.9° |
| N2 | C4 | C2 | C1 | 162.1° | 145.0° |
| N2 | C4 | C5 | H1 | 178.8° | 179.9° |
| N2 | C4 | C2 | H7 | 44.3° | 25.0° |
| N1 | C6 | C5 | C4 | 179.4° | 180.0° |
| N1 | C6 | C5 | H1 | 0.6° | 0.1° |
| C6 | N1 | C7 | H2 | 179.2° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C2 | 179.4° | 180.0° |
| C5 | C4 | C2 | C3 | 104.1° | 85.0° |
| C5 | C4 | C2 | C1 | 19.9° | 35.0° |
| C5 | C4 | C2 | H7 | 137.8° | 155.0° |
| C5 | C4 | N2 | H12 | 179.3° | 179.9° |
| C4 | C2 | C3 | C1 | 124.8° | 120.1° |
| C4 | C2 | C3 | H7 | 118.3° | 119.9° |
| C4 | C2 | C1 | H7 | 118.0° | 120.0° |
| C2 | C4 | C5 | H1 | 0.6° | 0.0° |
| C4 | C2 | C1 | H4 | 180.0° | 60.0° |
| C4 | C2 | C1 | H5 | 60.0° | 180.0° |
| C4 | C2 | C1 | H6 | 60.0° | 60.0° |
| C4 | C2 | C3 | H8 | 180.0° | 60.1° |
| C4 | C2 | C3 | H9 | 60.0° | 59.9° |
| C4 | C2 | C3 | H10 | 60.0° | 180.0° |
| C2 | C4 | N2 | H12 | 2.4° | 0.1° |
| C3 | C2 | C1 | H7 | 116.9° | 120.0° |
| C3 | C2 | C1 | H4 | 54.8° | 60.0° |
| C3 | C2 | C1 | H5 | 174.9° | 59.9° |
| C3 | C2 | C1 | H6 | 65.2° | 180.0° |
| C2 | C3 | H8 | H9 | 120.0° | 120.0° |
| C2 | C3 | H8 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 55.2° | 60.0° |
| C1 | C2 | C3 | H9 | 64.8° | 180.0° |
| C1 | C2 | C3 | H10 | 175.2° | 60.0° |
| H2 | C7 | C8 | H3 | 0.9° | 0.0° |
| H3 | C8 | C9 | H11 | 2.7° | 0.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H4 | C1 | C2 | H7 | 62.0° | 180.0° |
| H5 | C1 | C2 | H7 | 58.0° | 60.1° |
| H6 | C1 | C2 | H7 | 178.0° | 60.0° |
| H7 | C2 | C3 | H8 | 61.7° | 180.0° |
| H7 | C2 | C3 | H9 | 178.3° | 60.0° |
| H7 | C2 | C3 | H10 | 58.3° | 60.0° |
| H8 | C3 | H9 | H10 | 120.0° | 120.0° |
