VV0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | N1 | sing | 1.46Å | 1.41Å | |
| C8 | C10 | sing | 1.53Å | 1.51Å | |
| O | C7 | doub | 1.22Å | 1.20Å | |
| N1 | C7 | sing | 1.35Å | 1.31Å | |
| C7 | C3 | sing | 1.48Å | 1.43Å | |
| C2 | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.47Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N | sing | 1.39Å | 1.37Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N1 | 102.5° | 109.5° |
| C9 | C8 | C10 | 109.5° | 109.4° |
| C9 | C8 | H2 | 111.8° | 109.5° |
| C8 | C9 | H3 | 109.5° | 109.5° |
| C8 | C9 | H4 | 109.5° | 109.4° |
| C8 | C9 | H5 | 109.4° | 109.5° |
| N1 | C8 | C10 | 107.7° | 109.5° |
| C8 | N1 | C7 | 119.5° | 120.0° |
| C8 | N1 | H1 | 120.2° | 120.0° |
| N1 | C8 | H2 | 113.3° | 109.5° |
| C10 | C8 | H2 | 111.6° | 109.5° |
| C8 | C10 | H9 | 109.5° | 109.5° |
| C8 | C10 | H10 | 109.5° | 109.5° |
| C8 | C10 | H11 | 109.4° | 109.4° |
| O | C7 | N1 | 121.4° | 120.0° |
| O | C7 | C3 | 124.9° | 120.0° |
| N1 | C7 | C3 | 113.6° | 120.0° |
| C7 | N1 | H1 | 120.2° | 120.0° |
| C7 | C3 | C2 | 120.7° | 120.1° |
| C7 | C3 | C4 | 117.7° | 120.1° |
| C3 | C2 | C1 | 120.2° | 119.9° |
| C2 | C3 | C4 | 121.6° | 119.9° |
| C3 | C2 | H8 | 119.9° | 120.1° |
| C2 | C1 | C | 119.6° | 119.9° |
| C2 | C1 | C6 | 119.5° | 120.1° |
| C1 | C2 | H8 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.8° | 119.9° |
| C3 | C4 | H7 | 120.1° | 120.0° |
| C | C1 | C6 | 120.9° | 120.0° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.4° |
| C1 | C6 | C5 | 119.2° | 120.1° |
| C1 | C6 | N | 121.0° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.1° |
| C4 | C5 | H6 | 120.2° | 119.9° |
| C5 | C4 | H7 | 120.1° | 120.1° |
| C5 | C6 | N | 119.8° | 119.9° |
| C6 | C5 | H6 | 120.2° | 120.0° |
| C6 | N | H12 | 109.5° | 120.0° |
| C6 | N | H13 | 109.4° | 120.0° |
| H3 | C9 | H4 | 109.5° | 109.5° |
| H3 | C9 | H5 | 109.4° | 109.5° |
| H4 | C9 | H5 | 109.5° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.6° |
| H9 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.4° |
| H12 | N | H13 | 109.5° | 120.0° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.5° | 109.4° |
| H15 | C | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N1 | C10 | 115.5° | 120.0° |
| C9 | C8 | N1 | H2 | 120.6° | 120.1° |
| C9 | C8 | C10 | H2 | 124.3° | 120.1° |
| C9 | C8 | N1 | C7 | 98.8° | 85.1° |
| C9 | C8 | N1 | H1 | 81.2° | 94.7° |
| C8 | C9 | H3 | H4 | 120.0° | 119.9° |
| C8 | C9 | H3 | H5 | 120.0° | 120.1° |
| C8 | C9 | H4 | H5 | 120.0° | 120.0° |
| C9 | C8 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C10 | H10 | 60.0° | 60.0° |
| C9 | C8 | C10 | H11 | 60.0° | 60.0° |
| N1 | C8 | C10 | H2 | 124.9° | 120.0° |
| C8 | N1 | C7 | O | 0.3° | 0.2° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C3 | 179.8° | 179.8° |
| N1 | C8 | C9 | H3 | 180.0° | 180.0° |
| N1 | C8 | C9 | H4 | 60.0° | 60.0° |
| N1 | C8 | C9 | H5 | 60.0° | 59.9° |
| N1 | C8 | C10 | H9 | 69.2° | 60.0° |
| N1 | C8 | C10 | H10 | 170.8° | 179.9° |
| N1 | C8 | C10 | H11 | 50.8° | 60.0° |
| C10 | C8 | N1 | C7 | 145.7° | 155.0° |
| C10 | C8 | N1 | H1 | 34.3° | 25.3° |
| C10 | C8 | C9 | H3 | 65.8° | 60.0° |
| C10 | C8 | C9 | H4 | 174.2° | 180.0° |
| C10 | C8 | C9 | H5 | 54.2° | 60.0° |
| C8 | C10 | H9 | H10 | 120.0° | 120.0° |
| C8 | C10 | H9 | H11 | 120.0° | 120.0° |
| C8 | C10 | H10 | H11 | 120.0° | 119.9° |
| O | C7 | N1 | C3 | 180.0° | 180.0° |
| O | C7 | C3 | C2 | 24.4° | 0.0° |
| O | C7 | C3 | C4 | 154.5° | 180.0° |
| O | C7 | N1 | H1 | 179.8° | 180.0° |
| N1 | C7 | C3 | C2 | 155.7° | 180.0° |
| N1 | C7 | C3 | C4 | 25.5° | 0.0° |
| C7 | N1 | C8 | H2 | 21.8° | 35.0° |
| C7 | C3 | C2 | C4 | 178.8° | 180.0° |
| C7 | C3 | C2 | C1 | 177.4° | 180.0° |
| C7 | C3 | C4 | C5 | 178.5° | 180.0° |
| C3 | C7 | N1 | H1 | 0.2° | 0.0° |
| C7 | C3 | C4 | H7 | 1.5° | 0.1° |
| C7 | C3 | C2 | H8 | 2.6° | 0.0° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 176.1° | 179.7° |
| C3 | C2 | C1 | C6 | 1.4° | 0.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | H7 | 179.6° | 179.9° |
| C1 | C2 | C3 | C4 | 1.4° | 0.0° |
| C2 | C1 | C | C6 | 177.4° | 179.7° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | N | 178.8° | 180.0° |
| C2 | C1 | C | H14 | 88.8° | 90.3° |
| C2 | C1 | C | H15 | 151.2° | 29.7° |
| C2 | C1 | C | H16 | 31.3° | 149.7° |
| C3 | C4 | C5 | H7 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.0° |
| C3 | C4 | C5 | H6 | 179.3° | 179.9° |
| C4 | C3 | C2 | H8 | 178.6° | 180.0° |
| C | C1 | C6 | C5 | 177.1° | 179.7° |
| C | C1 | C6 | N | 1.3° | 0.3° |
| C | C1 | C2 | H8 | 3.9° | 0.3° |
| C1 | C | H14 | H15 | 120.0° | 120.1° |
| C1 | C | H14 | H16 | 120.0° | 119.9° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | N | 178.5° | 180.0° |
| C1 | C6 | C5 | H6 | 179.3° | 179.9° |
| C6 | C1 | C2 | H8 | 178.6° | 180.0° |
| C1 | C6 | N | H12 | 180.0° | 0.0° |
| C1 | C6 | N | H13 | 60.0° | 180.0° |
| C6 | C1 | C | H14 | 88.7° | 89.9° |
| C6 | C1 | C | H15 | 31.3° | 150.0° |
| C6 | C1 | C | H16 | 151.3° | 30.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C4 | C5 | C6 | N | 177.8° | 180.0° |
| C6 | C5 | C4 | H7 | 179.3° | 179.9° |
| C5 | C6 | N | H12 | 1.6° | 180.0° |
| C5 | C6 | N | H13 | 121.6° | 0.0° |
| N | C6 | C5 | H6 | 2.2° | 0.1° |
| C6 | N | H12 | H13 | 120.0° | 180.0° |
| H1 | N1 | C8 | H2 | 158.2° | 145.3° |
| H2 | C8 | C9 | H3 | 58.4° | 60.0° |
| H2 | C8 | C9 | H4 | 61.6° | 60.0° |
| H2 | C8 | C9 | H5 | 178.4° | 179.9° |
| H2 | C8 | C10 | H9 | 55.7° | 60.0° |
| H2 | C8 | C10 | H10 | 64.3° | 60.1° |
| H2 | C8 | C10 | H11 | 175.7° | 180.0° |
| H3 | C9 | H4 | H5 | 120.0° | 120.0° |
| H6 | C5 | C4 | H7 | 0.7° | 0.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H14 | C | H15 | H16 | 120.0° | 119.9° |
