V73
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 | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| C3 | O1 | doub | 1.21Å | 1.21Å | |
| C3 | N | sing | 1.35Å | 1.39Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| O | C2 | sing | 1.43Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.2° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H2 | 119.9° | 120.0° |
| C8 | C9 | H3 | 120.0° | 120.0° |
| C8 | C7 | C6 | 119.8° | 120.0° |
| C8 | C7 | H1 | 120.1° | 120.0° |
| C7 | C8 | H2 | 119.9° | 120.0° |
| C9 | C10 | C5 | 119.4° | 120.0° |
| C10 | C9 | H3 | 120.0° | 120.0° |
| C9 | C10 | H15 | 120.3° | 120.0° |
| C7 | C6 | C5 | 119.9° | 120.0° |
| C6 | C7 | H1 | 120.1° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C10 | C5 | C6 | 120.6° | 120.1° |
| C10 | C5 | C4 | 120.1° | 120.0° |
| C5 | C10 | H15 | 120.3° | 120.0° |
| C6 | C5 | C4 | 119.2° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C5 | C4 | C3 | 109.5° | 109.4° |
| C5 | C4 | H7 | 109.5° | 109.4° |
| C5 | C4 | H8 | 109.5° | 109.5° |
| C4 | C3 | O1 | 120.7° | 120.0° |
| C4 | C3 | N | 119.5° | 120.0° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C | N | C3 | 122.0° | 120.0° |
| C | N | C1 | 115.1° | 120.0° |
| N | C | H12 | 109.5° | 109.5° |
| N | C | H13 | 109.4° | 109.4° |
| N | C | H14 | 109.4° | 109.4° |
| O1 | C3 | N | 119.8° | 120.1° |
| C3 | N | C1 | 119.4° | 120.0° |
| N | C1 | C2 | 111.6° | 109.5° |
| N | C1 | H4 | 108.9° | 109.4° |
| N | C1 | H5 | 108.9° | 109.4° |
| O | C2 | C1 | 109.1° | 109.5° |
| O | C2 | H9 | 109.6° | 109.4° |
| O | C2 | H10 | 109.6° | 109.5° |
| C2 | O | H11 | 109.5° | 114.1° |
| C2 | C1 | H4 | 108.9° | 109.5° |
| C2 | C1 | H5 | 108.9° | 109.5° |
| C1 | C2 | H9 | 109.6° | 109.5° |
| C1 | C2 | H10 | 109.6° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C8 | C9 | C10 | C5 | 0.0° | 0.3° |
| C9 | C8 | C7 | H1 | 179.6° | 179.7° |
| C8 | C9 | C10 | H15 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.0° |
| C8 | C7 | C6 | H1 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 0.4° | 0.3° |
| C7 | C8 | C9 | H3 | 179.4° | 179.9° |
| C8 | C7 | C6 | H6 | 179.7° | 179.7° |
| C9 | C10 | C5 | H15 | 180.0° | 179.7° |
| C9 | C10 | C5 | C6 | 0.8° | 0.6° |
| C9 | C10 | C5 | C4 | 178.1° | 180.0° |
| C10 | C9 | C8 | H2 | 179.4° | 180.0° |
| C7 | C6 | C5 | C10 | 1.0° | 0.6° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 177.9° | 180.0° |
| C6 | C7 | C8 | H2 | 179.6° | 180.0° |
| C10 | C5 | C6 | C4 | 178.9° | 179.4° |
| C10 | C5 | C4 | C3 | 135.5° | 90.6° |
| C5 | C10 | C9 | H3 | 180.0° | 179.6° |
| C10 | C5 | C6 | H6 | 179.0° | 179.5° |
| C10 | C5 | C4 | H7 | 104.4° | 29.4° |
| C10 | C5 | C4 | H8 | 15.5° | 149.4° |
| C6 | C5 | C4 | C3 | 45.5° | 90.0° |
| C5 | C6 | C7 | H1 | 179.6° | 180.0° |
| C6 | C5 | C4 | H7 | 74.5° | 150.0° |
| C6 | C5 | C4 | H8 | 165.5° | 29.9° |
| C6 | C5 | C10 | H15 | 179.2° | 179.7° |
| C5 | C4 | C3 | H7 | 120.0° | 119.9° |
| C5 | C4 | C3 | H8 | 120.0° | 120.0° |
| C5 | C4 | C3 | O1 | 113.6° | 0.0° |
| C5 | C4 | C3 | N | 66.6° | 180.0° |
| C4 | C5 | C6 | H6 | 2.0° | 0.1° |
| C5 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | C10 | H15 | 1.9° | 0.4° |
| C4 | C3 | N | C | 32.3° | 0.0° |
| C4 | C3 | O1 | N | 179.9° | 180.0° |
| C4 | C3 | N | C1 | 170.1° | 180.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C | N | C3 | O1 | 147.9° | 180.0° |
| C | N | C3 | C1 | 157.7° | 180.0° |
| C | N | C1 | C2 | 41.6° | 90.0° |
| C | N | C1 | H4 | 162.0° | 150.0° |
| C | N | C1 | H5 | 78.7° | 30.0° |
| N | C | H12 | H13 | 120.0° | 120.0° |
| N | C | H12 | H14 | 120.0° | 120.0° |
| N | C | H13 | H14 | 120.0° | 119.9° |
| O1 | C3 | N | C1 | 9.8° | 0.0° |
| O1 | C3 | C4 | H7 | 6.5° | 119.9° |
| O1 | C3 | C4 | H8 | 126.4° | 120.0° |
| C3 | N | C1 | C2 | 117.5° | 90.0° |
| C3 | N | C1 | H4 | 2.8° | 30.0° |
| C3 | N | C1 | H5 | 122.1° | 150.0° |
| N | C3 | C4 | H7 | 173.4° | 60.1° |
| N | C3 | C4 | H8 | 53.4° | 60.0° |
| C3 | N | C | H12 | 180.0° | 90.0° |
| C3 | N | C | H13 | 60.0° | 150.0° |
| C3 | N | C | H14 | 60.0° | 30.0° |
| N | C1 | C2 | O | 95.9° | 65.0° |
| N | C1 | C2 | H4 | 120.3° | 120.0° |
| N | C1 | C2 | H5 | 120.3° | 119.9° |
| N | C1 | H4 | H5 | 119.0° | 119.9° |
| N | C1 | C2 | H9 | 24.1° | 175.0° |
| N | C1 | C2 | H10 | 144.2° | 55.0° |
| C1 | N | C | H12 | 21.4° | 90.0° |
| C1 | N | C | H13 | 141.4° | 30.0° |
| C1 | N | C | H14 | 98.6° | 150.0° |
| O | C2 | C1 | H9 | 119.9° | 120.0° |
| O | C2 | C1 | H10 | 119.9° | 120.0° |
| O | C2 | C1 | H4 | 24.5° | 175.0° |
| O | C2 | C1 | H5 | 143.8° | 54.9° |
| O | C2 | H9 | H10 | 120.2° | 120.0° |
| C2 | C1 | H4 | H5 | 119.0° | 120.1° |
| C1 | C2 | H9 | H10 | 120.2° | 120.0° |
| C1 | C2 | O | H11 | 180.0° | 180.0° |
| H1 | C7 | C8 | H2 | 0.4° | 0.3° |
| H1 | C7 | C6 | H6 | 0.4° | 0.1° |
| H2 | C8 | C9 | H3 | 0.6° | 0.1° |
| H3 | C9 | C10 | H15 | 0.0° | 0.0° |
| H4 | C1 | C2 | H9 | 144.4° | 55.0° |
| H4 | C1 | C2 | H10 | 95.5° | 65.0° |
| H5 | C1 | C2 | H9 | 96.3° | 65.0° |
| H5 | C1 | C2 | H10 | 23.9° | 174.9° |
| H9 | C2 | O | H11 | 60.1° | 60.0° |
| H10 | C2 | O | H11 | 60.1° | 59.9° |
| H12 | C | H13 | H14 | 120.0° | 120.1° |
