VZ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N1 | sing | 1.47Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.36Å | Aromatic |
| N1 | C11 | sing | 1.47Å | 1.53Å | |
| N1 | C9 | sing | 1.47Å | 1.54Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C6 | N | sing | 1.47Å | 1.49Å | |
| C7 | N | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C12 | O | sing | 1.43Å | 1.37Å | |
| C10 | N | sing | 1.47Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | F | sing | 1.35Å | 1.30Å | |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| O | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C8 | C7 | 110.6° | 109.4° |
| C8 | N1 | C11 | 111.1° | 111.0° |
| C8 | N1 | C9 | 110.0° | 110.9° |
| N1 | C8 | H4 | 109.2° | 109.5° |
| N1 | C8 | H5 | 109.2° | 109.4° |
| C8 | C7 | N | 109.2° | 109.4° |
| C8 | C7 | H2 | 109.6° | 109.5° |
| C8 | C7 | H3 | 109.6° | 109.5° |
| C7 | C8 | H4 | 109.2° | 109.5° |
| C7 | C8 | H5 | 109.2° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.0° |
| C4 | C3 | C2 | 119.3° | 120.0° |
| C3 | C4 | H11 | 119.5° | 120.0° |
| C4 | C3 | H12 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | C | 119.1° | 120.0° |
| C5 | C4 | H11 | 119.5° | 120.0° |
| C11 | N1 | C9 | 113.1° | 111.0° |
| N1 | C11 | C12 | 109.6° | 109.5° |
| N1 | C11 | H17 | 109.4° | 109.5° |
| N1 | C11 | H18 | 109.5° | 109.4° |
| N1 | C9 | C10 | 106.1° | 109.4° |
| N1 | C9 | H6 | 110.3° | 109.5° |
| N1 | C9 | H7 | 110.3° | 109.5° |
| C5 | C6 | N | 106.5° | 109.4° |
| C6 | C5 | C | 120.6° | 120.0° |
| C5 | C6 | H9 | 110.2° | 109.5° |
| C5 | C6 | H10 | 110.2° | 109.5° |
| C6 | N | C7 | 115.1° | 111.0° |
| C6 | N | C10 | 113.7° | 111.0° |
| N | C6 | H9 | 110.2° | 109.5° |
| N | C6 | H10 | 110.2° | 109.5° |
| C7 | N | C10 | 112.8° | 110.8° |
| N | C7 | H2 | 109.5° | 109.5° |
| N | C7 | H3 | 109.5° | 109.5° |
| C3 | C2 | F | 117.6° | 120.0° |
| C3 | C2 | C1 | 121.5° | 119.9° |
| C2 | C3 | H12 | 120.3° | 120.0° |
| C11 | C12 | O | 107.1° | 109.5° |
| C12 | C11 | H17 | 109.4° | 109.5° |
| C12 | C11 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 110.1° | 109.4° |
| C11 | C12 | H20 | 110.0° | 109.5° |
| O | C12 | H19 | 110.1° | 109.5° |
| O | C12 | H20 | 110.1° | 109.5° |
| C12 | O | H21 | 109.5° | 114.0° |
| N | C10 | C9 | 107.2° | 109.3° |
| N | C10 | H15 | 110.1° | 109.5° |
| N | C10 | H16 | 110.1° | 109.4° |
| C10 | C9 | H6 | 110.3° | 109.4° |
| C10 | C9 | H7 | 110.3° | 109.5° |
| C9 | C10 | H15 | 110.0° | 109.5° |
| C9 | C10 | H16 | 110.0° | 109.5° |
| C5 | C | C1 | 121.0° | 120.0° |
| C5 | C | H13 | 119.5° | 120.0° |
| F | C2 | C1 | 120.8° | 120.1° |
| C2 | C1 | C | 118.0° | 120.0° |
| C2 | C1 | H8 | 121.0° | 119.9° |
| C | C1 | H8 | 121.0° | 120.1° |
| C1 | C | H13 | 119.5° | 120.0° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | C7 | H4 | 120.2° | 120.0° |
| N1 | C8 | C7 | H5 | 120.2° | 119.9° |
| C8 | N1 | C11 | C9 | 124.3° | 123.8° |
| N1 | C8 | C7 | N | 65.7° | 58.4° |
| C8 | N1 | C11 | C12 | 150.9° | 160.5° |
| C8 | N1 | C9 | C10 | 36.6° | 59.3° |
| N1 | C8 | C7 | H2 | 54.3° | 178.4° |
| N1 | C8 | C7 | H3 | 174.4° | 61.6° |
| N1 | C8 | H4 | H5 | 119.5° | 120.0° |
| C8 | N1 | C9 | H6 | 156.1° | 179.3° |
| C8 | N1 | C9 | H7 | 82.8° | 60.7° |
| C8 | N1 | C11 | H17 | 30.9° | 40.4° |
| C8 | N1 | C11 | H18 | 89.1° | 79.5° |
| C7 | C8 | N1 | C11 | 97.1° | 176.8° |
| C7 | C8 | N1 | C9 | 29.0° | 59.3° |
| C8 | C7 | N | C6 | 104.4° | 176.8° |
| C8 | C7 | N | H2 | 120.0° | 120.0° |
| C8 | C7 | N | H3 | 120.0° | 120.0° |
| C8 | C7 | N | C10 | 28.3° | 59.4° |
| C8 | C7 | H2 | H3 | 120.2° | 120.1° |
| C7 | C8 | H4 | H5 | 119.5° | 120.1° |
| C3 | C4 | C5 | H11 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 179.3° | 179.8° |
| C4 | C3 | C2 | H12 | 180.0° | 179.8° |
| C3 | C4 | C5 | C | 0.5° | 0.3° |
| C4 | C3 | C2 | F | 172.6° | 180.0° |
| C4 | C3 | C2 | C1 | 2.8° | 0.0° |
| C4 | C5 | C6 | C | 179.8° | 180.0° |
| C4 | C5 | C6 | N | 111.1° | 90.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.2° |
| C4 | C5 | C | C1 | 1.8° | 0.0° |
| C4 | C5 | C6 | H9 | 8.4° | 30.0° |
| C4 | C5 | C6 | H10 | 129.3° | 150.0° |
| C5 | C4 | C3 | H12 | 178.2° | 180.0° |
| C4 | C5 | C | H13 | 178.2° | 180.0° |
| N1 | C11 | C12 | H17 | 120.0° | 120.0° |
| N1 | C11 | C12 | H18 | 120.0° | 120.0° |
| N1 | C11 | C12 | O | 179.0° | 64.8° |
| C11 | N1 | C9 | C10 | 161.6° | 176.8° |
| C11 | N1 | C8 | H4 | 23.1° | 63.2° |
| C11 | N1 | C8 | H5 | 142.7° | 56.8° |
| C11 | N1 | C9 | H6 | 79.0° | 56.8° |
| C11 | N1 | C9 | H7 | 42.1° | 63.2° |
| N1 | C11 | H17 | H18 | 120.0° | 119.9° |
| N1 | C11 | C12 | H19 | 59.4° | 175.2° |
| N1 | C11 | C12 | H20 | 61.3° | 55.3° |
| C9 | N1 | C11 | C12 | 84.8° | 75.7° |
| N1 | C9 | C10 | N | 74.3° | 58.4° |
| N1 | C9 | C10 | H6 | 119.5° | 120.0° |
| N1 | C9 | C10 | H7 | 119.5° | 120.0° |
| C9 | N1 | C8 | H4 | 149.2° | 60.7° |
| C9 | N1 | C8 | H5 | 91.2° | 179.3° |
| N1 | C9 | H6 | H7 | 121.6° | 120.1° |
| N1 | C9 | C10 | H15 | 166.1° | 61.6° |
| N1 | C9 | C10 | H16 | 45.4° | 178.3° |
| C9 | N1 | C11 | H17 | 155.2° | 164.3° |
| C9 | N1 | C11 | H18 | 35.2° | 44.3° |
| C5 | C6 | N | H9 | 119.5° | 120.0° |
| C5 | C6 | N | H10 | 119.6° | 120.0° |
| C5 | C6 | N | C7 | 173.9° | 170.0° |
| C5 | C6 | N | C10 | 53.8° | 66.3° |
| C6 | C5 | C | C1 | 178.0° | 180.0° |
| C5 | C6 | H9 | H10 | 121.4° | 120.0° |
| C6 | C5 | C4 | H11 | 0.7° | 0.0° |
| C6 | C5 | C | H13 | 2.0° | 0.1° |
| C6 | N | C7 | C10 | 132.7° | 123.8° |
| C6 | N | C10 | C9 | 172.0° | 176.8° |
| N | C6 | C5 | C | 68.7° | 90.0° |
| C6 | N | C7 | H2 | 135.6° | 56.8° |
| C6 | N | C7 | H3 | 15.5° | 63.2° |
| N | C6 | H9 | H10 | 121.3° | 120.1° |
| C6 | N | C10 | H15 | 68.4° | 63.2° |
| C6 | N | C10 | H16 | 52.3° | 56.9° |
| C7 | N | C10 | C9 | 38.6° | 59.3° |
| N | C7 | H2 | H3 | 120.1° | 120.0° |
| N | C7 | C8 | H4 | 174.2° | 61.6° |
| N | C7 | C8 | H5 | 54.5° | 178.4° |
| C7 | N | C6 | H9 | 66.5° | 70.0° |
| C7 | N | C6 | H10 | 54.3° | 50.0° |
| C7 | N | C10 | H15 | 158.2° | 60.6° |
| C7 | N | C10 | H16 | 81.1° | 179.2° |
| C3 | C2 | F | C1 | 175.4° | 179.9° |
| C3 | C2 | C1 | C | 1.5° | 0.3° |
| C3 | C2 | C1 | H8 | 178.5° | 180.0° |
| C2 | C3 | C4 | H11 | 178.2° | 180.0° |
| C11 | C12 | O | H19 | 119.6° | 120.0° |
| C11 | C12 | O | H20 | 119.6° | 120.0° |
| C12 | C11 | H17 | H18 | 120.0° | 120.0° |
| C11 | C12 | H19 | H20 | 121.1° | 120.0° |
| C11 | C12 | O | H21 | 180.0° | 180.0° |
| O | C12 | C11 | H17 | 61.0° | 55.3° |
| O | C12 | C11 | H18 | 59.0° | 175.3° |
| O | C12 | H19 | H20 | 121.1° | 120.0° |
| N | C10 | C9 | H15 | 119.7° | 120.0° |
| N | C10 | C9 | H16 | 119.7° | 119.9° |
| C10 | N | C7 | H2 | 91.7° | 179.4° |
| C10 | N | C7 | H3 | 148.2° | 60.7° |
| N | C10 | C9 | H6 | 166.3° | 178.4° |
| N | C10 | C9 | H7 | 45.2° | 61.6° |
| C10 | N | C6 | H9 | 65.8° | 53.7° |
| C10 | N | C6 | H10 | 173.4° | 173.8° |
| N | C10 | H15 | H16 | 121.1° | 120.1° |
| C10 | C9 | H6 | H7 | 121.5° | 120.0° |
| C9 | C10 | H15 | H16 | 121.0° | 120.1° |
| C5 | C | C1 | C2 | 0.8° | 0.3° |
| C5 | C | C1 | H13 | 180.0° | 180.0° |
| C5 | C | C1 | H8 | 179.2° | 180.0° |
| C | C5 | C6 | H9 | 171.7° | 150.0° |
| C | C5 | C6 | H10 | 50.8° | 30.0° |
| C | C5 | C4 | H11 | 179.5° | 180.0° |
| F | C2 | C1 | C | 173.7° | 179.8° |
| F | C2 | C1 | H8 | 6.3° | 0.1° |
| F | C2 | C3 | H12 | 7.4° | 0.2° |
| C2 | C1 | C | H8 | 180.0° | 179.7° |
| C1 | C2 | C3 | H12 | 177.2° | 179.7° |
| C2 | C1 | C | H13 | 179.2° | 179.7° |
| H2 | C7 | C8 | H4 | 65.9° | 58.4° |
| H2 | C7 | C8 | H5 | 174.5° | 61.7° |
| H3 | C7 | C8 | H4 | 54.3° | 178.4° |
| H3 | C7 | C8 | H5 | 65.4° | 58.3° |
| H6 | C9 | C10 | H15 | 46.6° | 58.4° |
| H6 | C9 | C10 | H16 | 74.1° | 61.7° |
| H7 | C9 | C10 | H15 | 74.5° | 178.4° |
| H7 | C9 | C10 | H16 | 164.9° | 58.3° |
| H8 | C1 | C | H13 | 0.8° | 0.0° |
| H11 | C4 | C3 | H12 | 1.8° | 0.2° |
| H17 | C11 | C12 | H19 | 179.4° | 64.7° |
| H17 | C11 | C12 | H20 | 58.7° | 175.3° |
| H18 | C11 | C12 | H19 | 60.7° | 55.3° |
| H18 | C11 | C12 | H20 | 178.6° | 64.7° |
| H19 | C12 | O | H21 | 60.3° | 60.0° |
| H20 | C12 | O | H21 | 60.4° | 60.0° |
