UH9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | F3 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| F1 | C10 | sing | 1.40Å | 1.36Å | |
| O3 | P1 | doub | 1.48Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | F2 | sing | 1.40Å | 1.36Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| O4 | P1 | sing | 1.61Å | 1.56Å | |
| P1 | O5 | sing | 1.61Å | 1.55Å | |
| P1 | C8 | sing | 1.81Å | 1.81Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.5° | 120.0° |
| C13 | C14 | C15 | 118.0° | 120.0° |
| C13 | C14 | H1 | 121.0° | 120.0° |
| C14 | C13 | H3 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.7° | 120.1° |
| C12 | C13 | H3 | 119.7° | 120.0° |
| C13 | C12 | H4 | 119.6° | 119.9° |
| C14 | C15 | F3 | 118.8° | 120.0° |
| C14 | C15 | C16 | 123.1° | 119.9° |
| C15 | C14 | H1 | 121.0° | 120.1° |
| C12 | C11 | C16 | 118.7° | 120.0° |
| C12 | C11 | C10 | 121.2° | 120.0° |
| C11 | C12 | H4 | 119.6° | 120.0° |
| F3 | C15 | C16 | 118.1° | 120.0° |
| C15 | C16 | C11 | 119.0° | 120.0° |
| C15 | C16 | H2 | 120.5° | 120.0° |
| C16 | C11 | C10 | 120.1° | 120.0° |
| C11 | C16 | H2 | 120.5° | 120.0° |
| C11 | C10 | F1 | 112.0° | 109.4° |
| C11 | C10 | C9 | 111.4° | 109.5° |
| C11 | C10 | F2 | 110.7° | 109.5° |
| F1 | C10 | C9 | 108.9° | 109.5° |
| F1 | C10 | F2 | 106.1° | 109.4° |
| O3 | P1 | O4 | 110.7° | 109.5° |
| O3 | P1 | O5 | 109.8° | 109.5° |
| O3 | P1 | C8 | 108.8° | 109.5° |
| C9 | C10 | F2 | 107.6° | 109.5° |
| C10 | C9 | N1 | 113.6° | 109.5° |
| C10 | C9 | H14 | 108.4° | 109.5° |
| C10 | C9 | H15 | 108.5° | 109.5° |
| C9 | N1 | C1 | 126.2° | 120.0° |
| C9 | N1 | H13 | 116.9° | 119.9° |
| N1 | C9 | H14 | 108.4° | 109.4° |
| N1 | C9 | H15 | 108.4° | 109.4° |
| O4 | P1 | O5 | 109.8° | 109.4° |
| O4 | P1 | C8 | 109.3° | 109.4° |
| P1 | O4 | H11 | 109.5° | 114.0° |
| O5 | P1 | C8 | 108.4° | 109.5° |
| P1 | O5 | H12 | 109.5° | 114.0° |
| P1 | C8 | C7 | 120.2° | 120.0° |
| P1 | C8 | C3 | 121.2° | 120.0° |
| N1 | C1 | O1 | 124.1° | 120.0° |
| N1 | C1 | C2 | 116.6° | 120.0° |
| C1 | N1 | H13 | 116.9° | 120.1° |
| C7 | C8 | C3 | 118.6° | 119.9° |
| C8 | C7 | C6 | 120.6° | 120.0° |
| C8 | C7 | H10 | 119.7° | 120.0° |
| C8 | C3 | O2 | 115.9° | 120.0° |
| C8 | C3 | C4 | 120.5° | 119.9° |
| C7 | C6 | C5 | 119.9° | 120.1° |
| C7 | C6 | H9 | 120.1° | 119.9° |
| C6 | C7 | H10 | 119.7° | 120.0° |
| O1 | C1 | C2 | 119.2° | 120.0° |
| C1 | C2 | O2 | 114.2° | 109.5° |
| C1 | C2 | H7 | 108.3° | 109.5° |
| C1 | C2 | H8 | 108.3° | 109.5° |
| C3 | O2 | C2 | 117.1° | 117.0° |
| O2 | C3 | C4 | 123.6° | 120.1° |
| O2 | C2 | H7 | 108.3° | 109.5° |
| O2 | C2 | H8 | 108.3° | 109.4° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H5 | 120.1° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C6 | C5 | H6 | 119.7° | 120.0° |
| C5 | C6 | H9 | 120.0° | 120.0° |
| C5 | C4 | H5 | 120.1° | 120.0° |
| C4 | C5 | H6 | 119.6° | 120.0° |
| H7 | C2 | H8 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.5° |
| C13 | C14 | C15 | F3 | 179.9° | 179.7° |
| C13 | C14 | C15 | C16 | 0.7° | 0.3° |
| C14 | C13 | C12 | H4 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C12 | C11 | H4 | 180.0° | 179.5° |
| C13 | C12 | C11 | C16 | 0.2° | 0.8° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C12 | C13 | C14 | H1 | 179.7° | 179.7° |
| C14 | C15 | F3 | C16 | 179.3° | 179.9° |
| C14 | C15 | C16 | C11 | 0.7° | 0.0° |
| C14 | C15 | C16 | H2 | 179.3° | 180.0° |
| C15 | C14 | C13 | H3 | 179.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.5° |
| C12 | C11 | C16 | C10 | 179.3° | 179.2° |
| C12 | C11 | C10 | F1 | 40.6° | 150.0° |
| C12 | C11 | C10 | C9 | 81.7° | 90.0° |
| C12 | C11 | C10 | F2 | 158.7° | 30.0° |
| C12 | C11 | C16 | H2 | 179.7° | 179.4° |
| C11 | C12 | C13 | H3 | 179.8° | 179.4° |
| F3 | C15 | C16 | C11 | 180.0° | 180.0° |
| F3 | C15 | C14 | H1 | 0.0° | 0.1° |
| F3 | C15 | C16 | H2 | 0.0° | 0.0° |
| C15 | C16 | C11 | H2 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 179.0° | 179.7° |
| C16 | C15 | C14 | H1 | 179.3° | 180.0° |
| C16 | C11 | C10 | F1 | 138.7° | 29.2° |
| C16 | C11 | C10 | C9 | 99.0° | 90.8° |
| C16 | C11 | C10 | F2 | 20.6° | 149.1° |
| C16 | C11 | C12 | H4 | 179.9° | 179.7° |
| C11 | C10 | F1 | C9 | 123.7° | 120.0° |
| C11 | C10 | F1 | F2 | 120.8° | 120.0° |
| C11 | C10 | C9 | F2 | 121.5° | 120.0° |
| C11 | C10 | C9 | N1 | 178.7° | 180.0° |
| C10 | C11 | C16 | H2 | 1.0° | 0.3° |
| C10 | C11 | C12 | H4 | 0.5° | 0.5° |
| C11 | C10 | C9 | H14 | 58.0° | 60.0° |
| C11 | C10 | C9 | H15 | 60.7° | 60.0° |
| F1 | C10 | C9 | F2 | 114.5° | 120.0° |
| F1 | C10 | C9 | N1 | 54.7° | 60.0° |
| F1 | C10 | C9 | H14 | 66.0° | 60.0° |
| F1 | C10 | C9 | H15 | 175.3° | 180.0° |
| O3 | P1 | O4 | O5 | 121.3° | 120.0° |
| O3 | P1 | O4 | C8 | 119.8° | 120.0° |
| O3 | P1 | O5 | C8 | 118.7° | 120.0° |
| O3 | P1 | C8 | C7 | 9.6° | 150.0° |
| O3 | P1 | C8 | C3 | 172.1° | 29.3° |
| O3 | P1 | O4 | H11 | 0.0° | 180.0° |
| O3 | P1 | O5 | H12 | 0.0° | 60.0° |
| C10 | C9 | N1 | H14 | 120.6° | 120.1° |
| C10 | C9 | N1 | H15 | 120.6° | 120.0° |
| C10 | C9 | N1 | C1 | 97.5° | 180.0° |
| C10 | C9 | N1 | H13 | 82.5° | 0.0° |
| C10 | C9 | H14 | H15 | 118.1° | 120.0° |
| F2 | C10 | C9 | N1 | 59.9° | 60.0° |
| F2 | C10 | C9 | H14 | 179.5° | 180.0° |
| F2 | C10 | C9 | H15 | 60.7° | 60.0° |
| C9 | N1 | C1 | H13 | 180.0° | 180.0° |
| C9 | N1 | C1 | O1 | 3.2° | 0.0° |
| C9 | N1 | C1 | C2 | 173.1° | 180.0° |
| N1 | C9 | H14 | H15 | 118.1° | 119.9° |
| O4 | P1 | O5 | C8 | 119.4° | 120.0° |
| O4 | P1 | C8 | C7 | 130.6° | 30.0° |
| O4 | P1 | C8 | C3 | 51.1° | 149.3° |
| O4 | P1 | O5 | H12 | 121.9° | 60.0° |
| O5 | P1 | C8 | C7 | 109.7° | 90.0° |
| O5 | P1 | C8 | C3 | 68.6° | 90.8° |
| O5 | P1 | O4 | H11 | 121.3° | 60.0° |
| P1 | C8 | C7 | C3 | 178.4° | 179.3° |
| P1 | C8 | C7 | C6 | 178.6° | 180.0° |
| P1 | C8 | C3 | O2 | 0.9° | 0.2° |
| P1 | C8 | C3 | C4 | 179.1° | 179.7° |
| P1 | C8 | C7 | H10 | 1.4° | 0.5° |
| C8 | P1 | O4 | H11 | 119.8° | 60.0° |
| C8 | P1 | O5 | H12 | 118.8° | 180.0° |
| N1 | C1 | O1 | C2 | 176.2° | 180.0° |
| N1 | C1 | C2 | O2 | 31.2° | 180.0° |
| N1 | C1 | C2 | H7 | 89.5° | 60.0° |
| N1 | C1 | C2 | H8 | 151.9° | 60.0° |
| C1 | N1 | C9 | H14 | 141.9° | 59.9° |
| C1 | N1 | C9 | H15 | 23.2° | 60.0° |
| C8 | C7 | C6 | H10 | 180.0° | 179.5° |
| C7 | C8 | C3 | O2 | 179.2° | 179.5° |
| C7 | C8 | C3 | C4 | 0.7° | 0.4° |
| C8 | C7 | C6 | C5 | 0.1° | 0.6° |
| C8 | C7 | C6 | H9 | 179.9° | 179.5° |
| C3 | C8 | C7 | C6 | 0.2° | 0.8° |
| C8 | C3 | O2 | C4 | 180.0° | 179.9° |
| C8 | C3 | O2 | C2 | 139.8° | 179.9° |
| C8 | C3 | C4 | C5 | 0.9° | 0.1° |
| C8 | C3 | C4 | H5 | 179.1° | 179.7° |
| C3 | C8 | C7 | H10 | 179.8° | 179.8° |
| C7 | C6 | C5 | H9 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.0° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| O1 | C1 | C2 | O2 | 152.3° | 0.0° |
| O1 | C1 | C2 | H7 | 87.0° | 120.0° |
| O1 | C1 | C2 | H8 | 31.6° | 120.0° |
| O1 | C1 | N1 | H13 | 176.8° | 180.0° |
| C1 | C2 | O2 | C3 | 67.9° | 180.0° |
| C1 | C2 | O2 | H7 | 120.7° | 120.0° |
| C1 | C2 | O2 | H8 | 120.7° | 120.0° |
| C1 | C2 | H7 | H8 | 117.8° | 120.0° |
| C2 | C1 | N1 | H13 | 6.9° | 0.0° |
| O2 | C3 | C4 | C5 | 179.1° | 180.0° |
| O2 | C3 | C4 | H5 | 0.9° | 0.4° |
| C3 | O2 | C2 | H7 | 171.4° | 60.0° |
| C3 | O2 | C2 | H8 | 52.9° | 60.0° |
| C2 | O2 | C3 | C4 | 40.2° | 0.0° |
| O2 | C2 | H7 | H8 | 117.8° | 120.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| C3 | C4 | C5 | H6 | 179.5° | 179.7° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H5 | 179.5° | 179.9° |
| C5 | C6 | C7 | H10 | 179.9° | 180.0° |
| C4 | C5 | C6 | H9 | 180.0° | 179.9° |
| H1 | C14 | C13 | H3 | 0.3° | 0.3° |
| H3 | C13 | C12 | H4 | 0.1° | 0.0° |
| H5 | C4 | C5 | H6 | 0.5° | 0.1° |
| H6 | C5 | C6 | H9 | 0.0° | 0.1° |
| H9 | C6 | C7 | H10 | 0.1° | 0.1° |
| H13 | N1 | C9 | H14 | 38.1° | 120.0° |
| H13 | N1 | C9 | H15 | 156.8° | 120.0° |
