VU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.34Å | |
| N | C7 | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C6 | N1 | sing | 1.47Å | 1.45Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C9 | 119.7° | 120.1° |
| C | C1 | C2 | 120.6° | 120.1° |
| C1 | C | H | 120.2° | 119.9° |
| C | C1 | H1 | 119.7° | 119.9° |
| C | C9 | C8 | 120.5° | 120.1° |
| C | C9 | H13 | 119.7° | 119.9° |
| C9 | C | H | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.1° | 119.9° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C9 | C8 | C3 | 119.7° | 119.9° |
| C8 | C9 | H13 | 119.7° | 120.0° |
| C9 | C8 | H12 | 120.1° | 120.0° |
| C2 | C3 | C8 | 119.4° | 119.9° |
| C2 | C3 | N | 119.9° | 120.1° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C8 | C3 | N | 120.6° | 120.1° |
| C3 | C8 | H12 | 120.1° | 120.1° |
| C3 | N | C7 | 118.9° | 111.0° |
| C3 | N | C4 | 118.7° | 111.0° |
| C7 | N | C4 | 113.4° | 110.9° |
| N | C7 | C6 | 110.0° | 109.4° |
| N | C7 | H10 | 109.3° | 109.4° |
| N | C7 | H11 | 109.4° | 109.5° |
| N | C4 | C5 | 110.5° | 109.4° |
| N | C4 | H3 | 109.2° | 109.5° |
| N | C4 | H4 | 109.2° | 109.5° |
| C7 | C6 | N1 | 109.9° | 109.4° |
| C7 | C6 | H8 | 109.4° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C6 | C7 | H10 | 109.3° | 109.4° |
| C6 | C7 | H11 | 109.3° | 109.5° |
| C4 | C5 | N1 | 110.6° | 109.4° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C4 | C5 | H6 | 109.2° | 109.5° |
| C6 | N1 | C5 | 109.9° | 110.9° |
| C6 | N1 | H7 | 109.4° | 111.0° |
| N1 | C6 | H8 | 109.4° | 109.5° |
| N1 | C6 | H9 | 109.4° | 109.5° |
| C5 | N1 | H7 | 109.3° | 111.0° |
| N1 | C5 | H5 | 109.2° | 109.5° |
| N1 | C5 | H6 | 109.2° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C9 | H | 180.0° | 180.0° |
| C | C1 | C2 | H1 | 180.0° | 180.0° |
| C1 | C | C9 | C8 | 0.7° | 0.3° |
| C | C1 | C2 | C3 | 0.5° | 0.0° |
| C | C1 | C2 | H2 | 179.5° | 179.7° |
| C1 | C | C9 | H13 | 179.3° | 179.7° |
| C9 | C | C1 | C2 | 0.8° | 0.0° |
| C | C9 | C8 | H13 | 180.0° | 179.4° |
| C | C9 | C8 | C3 | 0.6° | 0.6° |
| C | C9 | C8 | H12 | 179.4° | 180.0° |
| C9 | C | C1 | H1 | 179.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.6° |
| C1 | C2 | C3 | C8 | 1.8° | 0.3° |
| C1 | C2 | C3 | N | 176.2° | 179.7° |
| C2 | C1 | C | H | 179.2° | 180.0° |
| C9 | C8 | C3 | C2 | 1.8° | 0.6° |
| C9 | C8 | C3 | H12 | 180.0° | 179.4° |
| C9 | C8 | C3 | N | 176.1° | 179.5° |
| C8 | C9 | C | H | 179.3° | 179.7° |
| C2 | C3 | C8 | N | 177.9° | 180.0° |
| C2 | C3 | N | C7 | 131.2° | 180.0° |
| C2 | C3 | N | C4 | 83.7° | 56.2° |
| C2 | C3 | C8 | H12 | 178.2° | 180.0° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C8 | C3 | N | C7 | 46.7° | 0.1° |
| C8 | C3 | N | C4 | 98.4° | 123.8° |
| C8 | C3 | C2 | H2 | 178.2° | 180.0° |
| C3 | C8 | C9 | H13 | 179.4° | 180.0° |
| C3 | N | C7 | C4 | 146.8° | 123.9° |
| C3 | N | C7 | C6 | 159.9° | 176.8° |
| C3 | N | C4 | C5 | 160.8° | 176.8° |
| N | C3 | C2 | H2 | 3.9° | 0.1° |
| C3 | N | C4 | H3 | 79.0° | 56.9° |
| C3 | N | C4 | H4 | 40.7° | 63.2° |
| N | C3 | C8 | H12 | 3.9° | 0.0° |
| C3 | N | C7 | H10 | 39.8° | 63.3° |
| C3 | N | C7 | H11 | 80.0° | 56.8° |
| N | C7 | C6 | H10 | 120.1° | 119.9° |
| N | C7 | C6 | H11 | 120.1° | 120.0° |
| C7 | N | C4 | C5 | 52.3° | 59.3° |
| N | C7 | C6 | N1 | 57.2° | 58.4° |
| C7 | N | C4 | H3 | 67.9° | 179.2° |
| C7 | N | C4 | H4 | 172.4° | 60.7° |
| N | C7 | C6 | H8 | 62.9° | 178.4° |
| N | C7 | C6 | H9 | 177.3° | 61.6° |
| N | C7 | H10 | H11 | 119.8° | 120.1° |
| C4 | N | C7 | C6 | 53.3° | 59.3° |
| N | C4 | C5 | H3 | 120.1° | 119.9° |
| N | C4 | C5 | H4 | 120.2° | 120.0° |
| N | C4 | C5 | N1 | 55.0° | 58.4° |
| N | C4 | H3 | H4 | 119.5° | 120.0° |
| N | C4 | C5 | H5 | 175.2° | 61.6° |
| N | C4 | C5 | H6 | 65.2° | 178.4° |
| C4 | N | C7 | H10 | 173.4° | 60.6° |
| C4 | N | C7 | H11 | 66.7° | 179.3° |
| C7 | C6 | N1 | H8 | 120.1° | 120.0° |
| C7 | C6 | N1 | H9 | 120.1° | 120.0° |
| C7 | C6 | N1 | C5 | 61.5° | 59.3° |
| C7 | C6 | N1 | H7 | 178.4° | 176.8° |
| C7 | C6 | H8 | H9 | 119.8° | 120.1° |
| C6 | C7 | H10 | H11 | 119.7° | 120.0° |
| C4 | C5 | N1 | C6 | 60.5° | 59.3° |
| C4 | C5 | N1 | H5 | 120.2° | 120.0° |
| C4 | C5 | N1 | H6 | 120.2° | 119.9° |
| C4 | C5 | N1 | H7 | 179.4° | 176.8° |
| C5 | C4 | H3 | H4 | 119.5° | 120.1° |
| C4 | C5 | H5 | H6 | 119.5° | 120.1° |
| C6 | N1 | C5 | H7 | 120.1° | 123.9° |
| C6 | N1 | C5 | H5 | 179.3° | 60.7° |
| C6 | N1 | C5 | H6 | 59.7° | 179.3° |
| N1 | C6 | H8 | H9 | 119.8° | 120.0° |
| N1 | C6 | C7 | H10 | 177.3° | 61.5° |
| N1 | C6 | C7 | H11 | 62.9° | 178.4° |
| N1 | C5 | C4 | H3 | 65.2° | 178.3° |
| N1 | C5 | C4 | H4 | 175.1° | 61.5° |
| N1 | C5 | H5 | H6 | 119.5° | 120.0° |
| C5 | N1 | C6 | H8 | 58.6° | 179.3° |
| C5 | N1 | C6 | H9 | 178.4° | 60.7° |
| H7 | N1 | C5 | H5 | 59.3° | 63.2° |
| H7 | N1 | C5 | H6 | 60.4° | 56.8° |
| H7 | N1 | C6 | H8 | 61.5° | 56.8° |
| H7 | N1 | C6 | H9 | 58.4° | 63.1° |
| H2 | C2 | C1 | H1 | 0.5° | 0.4° |
| H3 | C4 | C5 | H5 | 55.0° | 58.3° |
| H3 | C4 | C5 | H6 | 174.7° | 61.7° |
| H4 | C4 | C5 | H5 | 64.7° | 178.5° |
| H4 | C4 | C5 | H6 | 55.0° | 58.4° |
| H8 | C6 | C7 | H10 | 57.2° | 58.5° |
| H8 | C6 | C7 | H11 | 177.0° | 61.6° |
| H9 | C6 | C7 | H10 | 62.7° | 178.5° |
| H9 | C6 | C7 | H11 | 57.2° | 58.4° |
| H13 | C9 | C | H | 0.7° | 0.3° |
| H13 | C9 | C8 | H12 | 0.6° | 0.6° |
| H | C | C1 | H1 | 0.8° | 0.0° |
