T7O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | O1 | sing | 1.45Å | 1.45Å | |
| O | C1 | doub | 1.21Å | 1.20Å | |
| C8 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.34Å | 1.34Å | |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.48Å | |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.51Å | |
| C15 | O3 | doub | 1.21Å | 1.25Å | |
| C15 | O2 | sing | 1.35Å | 1.26Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O1 | 107.2° | 109.5° |
| C2 | C3 | C8 | 121.4° | 119.9° |
| C2 | C3 | C4 | 119.9° | 119.9° |
| C3 | C2 | H4 | 110.1° | 109.5° |
| C3 | C2 | H3 | 110.1° | 109.5° |
| C2 | O1 | C1 | 116.9° | 117.0° |
| O1 | C2 | H4 | 110.0° | 109.5° |
| O1 | C2 | H3 | 110.0° | 109.5° |
| O | C1 | O1 | 123.0° | 120.0° |
| O | C1 | C | 125.7° | 120.1° |
| C3 | C8 | C7 | 120.6° | 120.2° |
| C8 | C3 | C4 | 118.7° | 120.1° |
| C3 | C8 | H8 | 119.7° | 119.9° |
| C8 | C7 | C6 | 120.2° | 120.1° |
| C8 | C7 | H7 | 119.9° | 119.9° |
| C7 | C8 | H8 | 119.7° | 119.9° |
| C3 | C4 | C5 | 121.7° | 119.9° |
| C3 | C4 | H5 | 119.1° | 120.1° |
| O1 | C1 | C | 111.3° | 119.9° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| C7 | C6 | C5 | 120.5° | 119.9° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C4 | C5 | C6 | 118.2° | 119.8° |
| C4 | C5 | C9 | 120.4° | 120.2° |
| C5 | C4 | H5 | 119.1° | 120.0° |
| C6 | C5 | C9 | 121.3° | 120.1° |
| C5 | C6 | H6 | 119.7° | 120.1° |
| C5 | C9 | C10 | 120.8° | 120.0° |
| C5 | C9 | C13 | 120.8° | 120.1° |
| C9 | C10 | C11 | 120.8° | 120.2° |
| C10 | C9 | C13 | 118.4° | 119.9° |
| C9 | C10 | H9 | 119.6° | 119.9° |
| C10 | C11 | C12 | 120.2° | 120.3° |
| C11 | C10 | H9 | 119.6° | 119.9° |
| C10 | C11 | H10 | 119.9° | 119.9° |
| C9 | C13 | C14 | 121.0° | 119.7° |
| C9 | C13 | H12 | 119.5° | 120.1° |
| C11 | C12 | C14 | 120.2° | 120.1° |
| C12 | C11 | H10 | 119.9° | 119.8° |
| C11 | C12 | H11 | 119.9° | 119.9° |
| C13 | C14 | C12 | 119.4° | 119.8° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H12 | 119.5° | 120.1° |
| C12 | C14 | C15 | 120.5° | 120.1° |
| C14 | C12 | H11 | 119.9° | 120.0° |
| C14 | C15 | O3 | 117.6° | 120.0° |
| C14 | C15 | O2 | 117.8° | 119.9° |
| O3 | C15 | O2 | 124.6° | 120.1° |
| C15 | O2 | H13 | 109.5° | 117.0° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.4° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H4 | C2 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O1 | H4 | 119.6° | 120.1° |
| C3 | C2 | O1 | H3 | 119.7° | 120.0° |
| C2 | C3 | C8 | C4 | 178.1° | 179.8° |
| C2 | C3 | C8 | C7 | 177.4° | 179.7° |
| C3 | C2 | O1 | C1 | 102.1° | 180.0° |
| C2 | C3 | C4 | C5 | 177.9° | 180.0° |
| C3 | C2 | H4 | H3 | 121.1° | 120.0° |
| C2 | C3 | C4 | H5 | 2.1° | 0.0° |
| C2 | C3 | C8 | H8 | 2.6° | 0.0° |
| C2 | O1 | C1 | O | 11.3° | 0.0° |
| O1 | C2 | C3 | C8 | 122.9° | 90.3° |
| O1 | C2 | C3 | C4 | 55.2° | 90.0° |
| C2 | O1 | C1 | C | 167.3° | 180.0° |
| O1 | C2 | H4 | H3 | 121.1° | 120.0° |
| O | C1 | O1 | C | 178.6° | 180.0° |
| O | C1 | C | H2 | 0.0° | 90.0° |
| O | C1 | C | H1 | 120.0° | 150.0° |
| O | C1 | C | H | 120.0° | 30.0° |
| C3 | C8 | C7 | H8 | 180.0° | 179.7° |
| C3 | C8 | C7 | C6 | 0.3° | 0.6° |
| C8 | C3 | C4 | C5 | 0.3° | 0.3° |
| C8 | C3 | C2 | H4 | 3.3° | 29.8° |
| C8 | C3 | C2 | H3 | 117.4° | 149.7° |
| C8 | C3 | C4 | H5 | 179.7° | 179.7° |
| C3 | C8 | C7 | H7 | 179.7° | 179.7° |
| C7 | C8 | C3 | C4 | 0.8° | 0.6° |
| C8 | C7 | C6 | H7 | 180.0° | 179.7° |
| C8 | C7 | C6 | C5 | 0.6° | 0.3° |
| C8 | C7 | C6 | H6 | 179.4° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C3 | C4 | C5 | C9 | 176.8° | 180.0° |
| C4 | C3 | C2 | H4 | 174.8° | 150.0° |
| C4 | C3 | C2 | H3 | 64.4° | 30.0° |
| C4 | C3 | C8 | H8 | 179.2° | 179.8° |
| O1 | C1 | C | H2 | 178.5° | 90.1° |
| O1 | C1 | C | H1 | 61.4° | 30.0° |
| O1 | C1 | C | H | 58.5° | 150.0° |
| C1 | O1 | C2 | H4 | 17.5° | 60.0° |
| C1 | O1 | C2 | H3 | 138.2° | 60.0° |
| C1 | C | H2 | H1 | 120.0° | 120.1° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 1.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C9 | 176.4° | 180.0° |
| C6 | C7 | C8 | H8 | 179.7° | 179.7° |
| C4 | C5 | C6 | C9 | 177.4° | 180.0° |
| C4 | C5 | C9 | C10 | 63.1° | 0.0° |
| C4 | C5 | C9 | C13 | 116.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.0° | 180.0° |
| C6 | C5 | C9 | C10 | 114.3° | 180.0° |
| C6 | C5 | C9 | C13 | 65.9° | 0.0° |
| C6 | C5 | C4 | H5 | 179.4° | 180.0° |
| C5 | C6 | C7 | H7 | 179.4° | 180.0° |
| C5 | C9 | C10 | C13 | 179.8° | 180.0° |
| C5 | C9 | C10 | C11 | 179.9° | 180.0° |
| C5 | C9 | C13 | C14 | 180.0° | 180.0° |
| C5 | C9 | C10 | H9 | 0.1° | 0.3° |
| C5 | C9 | C13 | H12 | 0.0° | 0.0° |
| C9 | C5 | C4 | H5 | 3.1° | 0.0° |
| C9 | C5 | C6 | H6 | 3.6° | 0.0° |
| C9 | C10 | C11 | H9 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C13 | C14 | 0.1° | 0.0° |
| C9 | C10 | C11 | H10 | 179.9° | 179.9° |
| C10 | C9 | C13 | H12 | 179.9° | 179.9° |
| C11 | C10 | C9 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | H11 | 179.8° | 180.0° |
| C9 | C13 | C14 | H12 | 180.0° | 179.9° |
| C9 | C13 | C14 | C12 | 0.2° | 0.0° |
| C9 | C13 | C14 | C15 | 179.2° | 179.9° |
| C13 | C9 | C10 | H9 | 179.7° | 179.7° |
| C11 | C12 | C14 | C13 | 0.4° | 0.0° |
| C11 | C12 | C14 | H11 | 180.0° | 180.0° |
| C11 | C12 | C14 | C15 | 179.0° | 179.9° |
| C12 | C11 | C10 | H9 | 179.9° | 179.7° |
| C13 | C14 | C12 | C15 | 179.4° | 179.9° |
| C13 | C14 | C15 | O3 | 11.3° | 0.1° |
| C13 | C14 | C15 | O2 | 168.6° | 180.0° |
| C13 | C14 | C12 | H11 | 179.6° | 180.0° |
| C12 | C14 | C15 | O3 | 169.3° | 180.0° |
| C12 | C14 | C15 | O2 | 10.8° | 0.1° |
| C14 | C12 | C11 | H10 | 179.8° | 180.0° |
| C12 | C14 | C13 | H12 | 179.8° | 179.9° |
| C14 | C15 | O3 | O2 | 179.9° | 179.9° |
| C15 | C14 | C12 | H11 | 1.0° | 0.1° |
| C15 | C14 | C13 | H12 | 0.8° | 0.0° |
| C14 | C15 | O2 | H13 | 179.9° | 180.0° |
| O3 | C15 | O2 | H13 | 0.0° | 0.1° |
| H2 | C | H1 | H | 120.0° | 120.0° |
| H9 | C10 | C11 | H10 | 0.1° | 0.2° |
| H10 | C11 | C12 | H11 | 0.3° | 0.0° |
| H6 | C6 | C7 | H7 | 0.6° | 0.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.0° |
