U0U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| F2 | C10 | sing | 1.40Å | 1.36Å | |
| C10 | F1 | sing | 1.40Å | 1.36Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C9 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | P1 | sing | 1.81Å | 1.81Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| O3 | P1 | doub | 1.48Å | 1.53Å | |
| O4 | P1 | sing | 1.61Å | 1.53Å | |
| P1 | O5 | sing | 1.61Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C15 | C14 | H2 | 120.0° | 119.9° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C11 | 120.4° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C13 | C14 | H2 | 120.0° | 120.0° |
| C14 | C13 | H9 | 120.0° | 120.0° |
| C16 | C11 | C12 | 119.0° | 120.0° |
| C16 | C11 | C10 | 121.3° | 120.0° |
| C11 | C16 | H16 | 119.8° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.0° |
| C13 | C12 | H8 | 119.8° | 120.0° |
| C12 | C13 | H9 | 120.0° | 120.0° |
| C12 | C11 | C10 | 119.8° | 120.0° |
| C11 | C12 | H8 | 119.8° | 119.9° |
| C11 | C10 | F2 | 111.6° | 109.4° |
| C11 | C10 | F1 | 111.2° | 109.4° |
| C11 | C10 | C9 | 112.1° | 109.5° |
| F2 | C10 | F1 | 106.5° | 109.5° |
| F2 | C10 | C9 | 107.8° | 109.5° |
| F1 | C10 | C9 | 107.3° | 109.5° |
| C10 | C9 | N1 | 113.4° | 109.5° |
| C10 | C9 | H6 | 108.5° | 109.4° |
| C10 | C9 | H7 | 108.5° | 109.5° |
| C6 | C5 | C4 | 120.6° | 120.1° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C6 | C5 | H3 | 119.7° | 119.9° |
| C5 | C6 | H4 | 119.9° | 120.0° |
| C5 | C4 | C3 | 119.7° | 119.9° |
| C5 | C4 | H1 | 120.1° | 120.1° |
| C4 | C5 | H3 | 119.7° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.1° |
| C7 | C6 | H4 | 119.9° | 119.9° |
| C6 | C7 | H5 | 119.9° | 119.9° |
| O1 | C1 | N1 | 124.2° | 120.0° |
| O1 | C1 | C2 | 118.9° | 120.0° |
| C9 | N1 | C1 | 124.7° | 120.0° |
| N1 | C9 | H6 | 108.5° | 109.5° |
| N1 | C9 | H7 | 108.5° | 109.5° |
| C9 | N1 | H10 | 117.6° | 120.0° |
| C4 | C3 | C8 | 120.6° | 119.9° |
| C4 | C3 | O2 | 124.0° | 120.0° |
| C3 | C4 | H1 | 120.1° | 120.0° |
| N1 | C1 | C2 | 116.8° | 120.0° |
| C1 | N1 | H10 | 117.7° | 120.0° |
| C1 | C2 | O2 | 113.9° | 109.5° |
| C1 | C2 | H11 | 108.4° | 109.5° |
| C1 | C2 | H12 | 108.4° | 109.5° |
| C7 | C8 | C3 | 118.5° | 120.0° |
| C7 | C8 | P1 | 120.2° | 120.0° |
| C8 | C7 | H5 | 119.8° | 120.0° |
| C8 | C3 | O2 | 115.4° | 120.1° |
| C3 | C8 | P1 | 121.2° | 120.0° |
| C3 | O2 | C2 | 121.1° | 117.0° |
| C8 | P1 | O3 | 107.4° | 109.5° |
| C8 | P1 | O4 | 109.9° | 109.5° |
| C8 | P1 | O5 | 106.0° | 109.4° |
| O2 | C2 | H11 | 108.3° | 109.4° |
| O2 | C2 | H12 | 108.3° | 109.5° |
| O3 | P1 | O4 | 111.9° | 109.5° |
| O3 | P1 | O5 | 111.5° | 109.5° |
| O4 | P1 | O5 | 110.0° | 109.5° |
| P1 | O4 | H13 | 109.5° | 114.0° |
| P1 | O5 | H14 | 109.5° | 114.0° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 0.1° | 0.1° |
| C15 | C14 | C13 | C12 | 0.2° | 0.3° |
| C15 | C14 | C13 | H9 | 179.7° | 179.8° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.4° | 0.3° |
| C15 | C16 | C11 | C10 | 180.0° | 179.7° |
| C16 | C15 | C14 | H2 | 179.9° | 179.7° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.6° |
| C14 | C13 | C12 | H8 | 179.5° | 179.5° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C16 | C11 | C12 | C13 | 0.6° | 0.6° |
| C16 | C11 | C12 | C10 | 179.6° | 179.4° |
| C16 | C11 | C10 | F2 | 19.2° | 30.6° |
| C16 | C11 | C10 | F1 | 137.9° | 150.6° |
| C16 | C11 | C10 | C9 | 101.9° | 89.4° |
| C16 | C11 | C12 | H8 | 179.4° | 179.5° |
| C11 | C16 | C15 | H15 | 179.9° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H2 | 179.8° | 180.0° |
| C12 | C11 | C10 | F2 | 161.3° | 150.0° |
| C12 | C11 | C10 | F1 | 42.5° | 30.0° |
| C12 | C11 | C10 | C9 | 77.6° | 90.0° |
| C11 | C12 | C13 | H9 | 179.5° | 179.5° |
| C12 | C11 | C16 | H16 | 179.6° | 179.7° |
| C11 | C10 | F2 | F1 | 121.5° | 119.9° |
| C11 | C10 | F2 | C9 | 123.5° | 120.0° |
| C11 | C10 | F1 | C9 | 122.9° | 120.0° |
| C11 | C10 | C9 | N1 | 174.4° | 180.0° |
| C11 | C10 | C9 | H6 | 65.0° | 60.0° |
| C11 | C10 | C9 | H7 | 53.8° | 60.0° |
| C10 | C11 | C12 | H8 | 0.2° | 0.1° |
| C10 | C11 | C16 | H16 | 0.0° | 0.3° |
| F2 | C10 | F1 | C9 | 115.3° | 120.0° |
| F2 | C10 | C9 | N1 | 51.1° | 60.0° |
| F2 | C10 | C9 | H6 | 171.7° | 60.0° |
| F2 | C10 | C9 | H7 | 69.5° | 180.0° |
| F1 | C10 | C9 | N1 | 63.3° | 60.0° |
| F1 | C10 | C9 | H6 | 57.3° | 180.0° |
| F1 | C10 | C9 | H7 | 176.2° | 60.0° |
| C10 | C9 | N1 | H6 | 120.6° | 120.0° |
| C10 | C9 | N1 | H7 | 120.6° | 120.0° |
| C10 | C9 | N1 | C1 | 90.2° | 180.0° |
| C10 | C9 | H6 | H7 | 118.2° | 120.0° |
| C10 | C9 | N1 | H10 | 89.8° | 0.0° |
| C6 | C5 | C4 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | H1 | 179.9° | 179.7° |
| C5 | C6 | C7 | H5 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C8 | 0.2° | 0.0° |
| C5 | C4 | C3 | O2 | 179.7° | 179.7° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C3 | 0.3° | 0.0° |
| C6 | C7 | C8 | P1 | 179.2° | 180.0° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| O1 | C1 | N1 | C9 | 6.7° | 0.0° |
| O1 | C1 | N1 | C2 | 176.0° | 180.0° |
| O1 | C1 | C2 | O2 | 150.5° | 0.0° |
| O1 | C1 | N1 | H10 | 173.3° | 180.0° |
| O1 | C1 | C2 | H11 | 88.9° | 120.0° |
| O1 | C1 | C2 | H12 | 29.9° | 120.0° |
| C9 | N1 | C1 | H10 | 180.0° | 180.0° |
| C9 | N1 | C1 | C2 | 169.3° | 180.0° |
| N1 | C9 | H6 | H7 | 118.2° | 120.0° |
| C4 | C3 | C8 | C7 | 0.2° | 0.0° |
| C4 | C3 | C8 | O2 | 179.5° | 179.7° |
| C4 | C3 | C8 | P1 | 179.2° | 180.0° |
| C4 | C3 | O2 | C2 | 37.3° | 0.0° |
| C3 | C4 | C5 | H3 | 179.8° | 180.0° |
| N1 | C1 | C2 | O2 | 33.3° | 180.0° |
| C1 | N1 | C9 | H6 | 149.3° | 60.0° |
| C1 | N1 | C9 | H7 | 30.4° | 60.0° |
| N1 | C1 | C2 | H11 | 87.3° | 60.0° |
| N1 | C1 | C2 | H12 | 154.0° | 60.0° |
| C1 | C2 | O2 | C3 | 69.6° | 180.0° |
| C1 | C2 | O2 | H11 | 120.7° | 120.0° |
| C1 | C2 | O2 | H12 | 120.6° | 120.0° |
| C2 | C1 | N1 | H10 | 10.7° | 0.0° |
| C1 | C2 | H11 | H12 | 118.0° | 120.0° |
| C7 | C8 | C3 | P1 | 179.5° | 180.0° |
| C7 | C8 | C3 | O2 | 179.8° | 179.7° |
| C7 | C8 | P1 | O3 | 13.0° | 150.0° |
| C7 | C8 | P1 | O4 | 135.0° | 30.0° |
| C7 | C8 | P1 | O5 | 106.2° | 90.0° |
| C8 | C7 | C6 | H4 | 179.8° | 180.0° |
| C8 | C3 | O2 | C2 | 143.2° | 179.7° |
| C3 | C8 | P1 | O3 | 167.5° | 29.9° |
| C3 | C8 | P1 | O4 | 45.6° | 150.0° |
| C3 | C8 | P1 | O5 | 73.2° | 90.0° |
| C8 | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | C8 | C7 | H5 | 179.7° | 180.0° |
| O2 | C3 | C8 | P1 | 0.3° | 0.3° |
| O2 | C3 | C4 | H1 | 0.3° | 0.1° |
| C3 | O2 | C2 | H11 | 169.8° | 60.0° |
| C3 | O2 | C2 | H12 | 51.1° | 60.0° |
| C8 | P1 | O3 | O4 | 120.7° | 120.0° |
| C8 | P1 | O3 | O5 | 115.7° | 120.0° |
| C8 | P1 | O4 | O5 | 116.4° | 120.0° |
| P1 | C8 | C7 | H5 | 0.8° | 0.0° |
| C8 | P1 | O4 | H13 | 119.2° | 180.0° |
| C8 | P1 | O5 | H14 | 116.5° | 60.0° |
| O2 | C2 | H11 | H12 | 118.0° | 119.9° |
| O3 | P1 | O4 | O5 | 124.4° | 120.0° |
| O3 | P1 | O4 | H13 | 0.0° | 60.0° |
| O3 | P1 | O5 | H14 | 0.0° | 180.0° |
| O4 | P1 | O5 | H14 | 124.7° | 60.0° |
| O5 | P1 | O4 | H13 | 124.4° | 60.0° |
| H1 | C4 | C5 | H3 | 0.2° | 0.2° |
| H2 | C14 | C13 | H9 | 0.3° | 0.0° |
| H2 | C14 | C15 | H15 | 0.1° | 0.2° |
| H3 | C5 | C6 | H4 | 0.2° | 0.1° |
| H4 | C6 | C7 | H5 | 0.2° | 0.0° |
| H6 | C9 | N1 | H10 | 30.7° | 120.0° |
| H7 | C9 | N1 | H10 | 149.6° | 120.0° |
| H8 | C12 | C13 | H9 | 0.6° | 0.5° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
