9UU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C7 | doub | 1.34Å | 1.32Å | |
| C11 | C3 | sing | 1.48Å | 1.48Å | |
| C7 | C4 | sing | 1.48Å | 1.48Å | |
| C3 | O1 | doub | 1.21Å | 1.20Å | |
| C3 | N2 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.21Å | 1.20Å | |
| C4 | N2 | sing | 1.35Å | 1.40Å | |
| N2 | C2 | sing | 1.40Å | 1.43Å | |
| C2 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O2 | sing | 1.36Å | 1.36Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C11 | C3 | 108.4° | 106.8° |
| C11 | C7 | C4 | 109.2° | 106.8° |
| C11 | C7 | H3 | 125.4° | 126.6° |
| C7 | C11 | H7 | 125.8° | 126.6° |
| C11 | C3 | O1 | 128.9° | 125.8° |
| C11 | C3 | N2 | 106.3° | 108.4° |
| C3 | C11 | H7 | 125.8° | 126.6° |
| C7 | C4 | O4 | 129.1° | 125.8° |
| C7 | C4 | N2 | 105.5° | 108.4° |
| C4 | C7 | H3 | 125.4° | 126.6° |
| O1 | C3 | N2 | 124.8° | 125.8° |
| C3 | N2 | C4 | 109.5° | 109.5° |
| C3 | N2 | C2 | 124.5° | 125.2° |
| O4 | C4 | N2 | 125.4° | 125.7° |
| C4 | N2 | C2 | 126.0° | 125.2° |
| N2 | C2 | C6 | 120.6° | 120.0° |
| N2 | C2 | C5 | 118.9° | 120.0° |
| C6 | C2 | C5 | 120.5° | 119.9° |
| C2 | C6 | C9 | 119.6° | 120.0° |
| C2 | C6 | H2 | 120.2° | 120.0° |
| C2 | C5 | C8 | 120.1° | 120.0° |
| C2 | C5 | H1 | 119.9° | 120.0° |
| C6 | C9 | C10 | 120.0° | 120.0° |
| C9 | C6 | H2 | 120.2° | 120.0° |
| C6 | C9 | H5 | 120.0° | 119.9° |
| C5 | C8 | C10 | 119.7° | 120.0° |
| C8 | C5 | H1 | 119.9° | 120.0° |
| C5 | C8 | H4 | 120.1° | 120.0° |
| C9 | C10 | C8 | 120.1° | 120.0° |
| C9 | C10 | O2 | 120.3° | 120.0° |
| C10 | C9 | H5 | 120.0° | 120.0° |
| C8 | C10 | O2 | 119.5° | 120.0° |
| C10 | C8 | H4 | 120.2° | 120.0° |
| C10 | O2 | H6 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C11 | C3 | H7 | 180.0° | 179.9° |
| C11 | C7 | C4 | H3 | 180.0° | 179.8° |
| C7 | C11 | C3 | O1 | 176.4° | 179.9° |
| C7 | C11 | C3 | N2 | 3.6° | 0.2° |
| C11 | C7 | C4 | O4 | 170.7° | 179.9° |
| C11 | C7 | C4 | N2 | 11.2° | 0.0° |
| C3 | C11 | C7 | C4 | 9.0° | 0.2° |
| C11 | C3 | O1 | N2 | 179.9° | 179.7° |
| C11 | C3 | N2 | C4 | 3.6° | 0.2° |
| C11 | C3 | N2 | C2 | 173.5° | 179.7° |
| C3 | C11 | C7 | H3 | 170.9° | 180.0° |
| C7 | C4 | N2 | C3 | 8.7° | 0.1° |
| C7 | C4 | O4 | N2 | 177.7° | 179.9° |
| C7 | C4 | N2 | C2 | 168.4° | 179.8° |
| C4 | C7 | C11 | H7 | 171.0° | 179.9° |
| O1 | C3 | N2 | C4 | 176.3° | 179.9° |
| O1 | C3 | N2 | C2 | 6.5° | 0.0° |
| O1 | C3 | C11 | H7 | 3.6° | 0.1° |
| C3 | N2 | C4 | O4 | 173.2° | 180.0° |
| C3 | N2 | C4 | C2 | 177.1° | 180.0° |
| C3 | N2 | C2 | C6 | 102.5° | 180.0° |
| C3 | N2 | C2 | C5 | 76.0° | 0.3° |
| N2 | C3 | C11 | H7 | 176.4° | 179.8° |
| O4 | C4 | N2 | C2 | 9.7° | 0.1° |
| O4 | C4 | C7 | H3 | 9.3° | 0.1° |
| C4 | N2 | C2 | C6 | 80.8° | 0.0° |
| C4 | N2 | C2 | C5 | 100.7° | 179.8° |
| N2 | C4 | C7 | H3 | 168.8° | 179.8° |
| N2 | C2 | C6 | C5 | 178.4° | 179.8° |
| N2 | C2 | C6 | C9 | 179.7° | 179.7° |
| N2 | C2 | C5 | C8 | 179.4° | 179.7° |
| N2 | C2 | C5 | H1 | 0.6° | 0.2° |
| N2 | C2 | C6 | H2 | 0.4° | 0.2° |
| C2 | C6 | C9 | H2 | 180.0° | 180.0° |
| C6 | C2 | C5 | C8 | 1.0° | 0.0° |
| C2 | C6 | C9 | C10 | 0.9° | 0.0° |
| C6 | C2 | C5 | H1 | 179.0° | 180.0° |
| C2 | C6 | C9 | H5 | 179.1° | 180.0° |
| C5 | C2 | C6 | C9 | 1.3° | 0.0° |
| C2 | C5 | C8 | H1 | 180.0° | 180.0° |
| C2 | C5 | C8 | C10 | 0.4° | 0.0° |
| C5 | C2 | C6 | H2 | 178.8° | 180.0° |
| C2 | C5 | C8 | H4 | 179.6° | 179.9° |
| C6 | C9 | C10 | H5 | 180.0° | 180.0° |
| C6 | C9 | C10 | C8 | 0.3° | 0.0° |
| C6 | C9 | C10 | O2 | 177.2° | 179.9° |
| C5 | C8 | C10 | C9 | 0.0° | 0.0° |
| C5 | C8 | C10 | H4 | 180.0° | 180.0° |
| C5 | C8 | C10 | O2 | 177.5° | 179.9° |
| C9 | C10 | C8 | O2 | 177.5° | 180.0° |
| C10 | C9 | C6 | H2 | 179.1° | 180.0° |
| C9 | C10 | C8 | H4 | 180.0° | 179.9° |
| C9 | C10 | O2 | H6 | 180.0° | 90.0° |
| C10 | C8 | C5 | H1 | 179.6° | 180.0° |
| C8 | C10 | C9 | H5 | 179.7° | 180.0° |
| C8 | C10 | O2 | H6 | 2.6° | 90.0° |
| O2 | C10 | C8 | H4 | 2.5° | 0.1° |
| O2 | C10 | C9 | H5 | 2.8° | 0.0° |
| H1 | C5 | C8 | H4 | 0.4° | 0.0° |
| H2 | C6 | C9 | H5 | 0.9° | 0.0° |
| H3 | C7 | C11 | H7 | 9.1° | 0.1° |
