UHG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.21Å | 1.21Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | O1 | sing | 1.34Å | 1.31Å | |
| N | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.51Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C14 | sing | 1.47Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | CL | sing | 1.74Å | 1.74Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | C1 | 120.3° | 120.0° |
| O | C2 | O1 | 123.8° | 120.0° |
| C1 | C2 | O1 | 115.8° | 120.0° |
| C2 | C1 | C3 | 107.8° | 109.4° |
| C2 | C1 | C | 114.4° | 109.5° |
| C2 | C1 | H8 | 107.5° | 109.5° |
| C2 | O1 | H12 | 109.5° | 117.0° |
| C7 | N | C9 | 108.8° | 110.3° |
| N | C7 | C8 | 128.8° | 132.3° |
| N | C7 | C6 | 109.1° | 108.3° |
| C7 | N | H7 | 125.6° | 124.8° |
| N | C9 | C10 | 129.3° | 132.3° |
| N | C9 | C14 | 109.2° | 108.4° |
| C9 | N | H7 | 125.6° | 124.9° |
| C7 | C8 | C3 | 118.3° | 120.1° |
| C8 | C7 | C6 | 122.1° | 119.3° |
| C7 | C8 | H3 | 120.9° | 120.0° |
| C8 | C3 | C1 | 118.8° | 119.7° |
| C8 | C3 | C4 | 119.9° | 120.5° |
| C3 | C8 | H3 | 120.9° | 119.9° |
| C3 | C1 | C | 111.8° | 109.5° |
| C1 | C3 | C4 | 121.2° | 119.7° |
| C3 | C1 | H8 | 107.4° | 109.5° |
| C | C1 | H8 | 107.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.4° |
| C1 | C | H10 | 109.4° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C7 | C6 | C14 | 106.5° | 106.5° |
| C7 | C6 | C5 | 118.9° | 120.0° |
| C9 | C10 | C11 | 118.9° | 120.1° |
| C10 | C9 | C14 | 121.5° | 119.3° |
| C9 | C10 | H4 | 120.5° | 120.0° |
| C10 | C11 | C12 | 119.7° | 120.6° |
| C11 | C10 | H4 | 120.6° | 120.0° |
| C10 | C11 | H6 | 120.1° | 119.7° |
| C3 | C4 | C5 | 121.6° | 120.2° |
| C3 | C4 | H1 | 119.2° | 119.9° |
| C9 | C14 | C6 | 106.5° | 106.5° |
| C9 | C14 | C13 | 118.8° | 120.1° |
| C11 | C12 | C13 | 122.2° | 120.2° |
| C11 | C12 | CL | 118.9° | 119.9° |
| C12 | C11 | H6 | 120.2° | 119.7° |
| C14 | C6 | C5 | 134.7° | 133.5° |
| C6 | C14 | C13 | 134.6° | 133.5° |
| C6 | C5 | C4 | 119.2° | 119.8° |
| C6 | C5 | H2 | 120.4° | 120.1° |
| C14 | C13 | C12 | 118.8° | 119.8° |
| C14 | C13 | H5 | 120.6° | 120.1° |
| C5 | C4 | H1 | 119.2° | 119.9° |
| C4 | C5 | H2 | 120.4° | 120.1° |
| C13 | C12 | CL | 118.9° | 119.9° |
| C12 | C13 | H5 | 120.6° | 120.1° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | C1 | O1 | 177.6° | 180.0° |
| O | C2 | C1 | C3 | 105.9° | 0.0° |
| O | C2 | C1 | C | 129.0° | 120.0° |
| O | C2 | C1 | H8 | 9.7° | 120.0° |
| O | C2 | O1 | H12 | 0.0° | 0.1° |
| C2 | C1 | C3 | C8 | 67.0° | 120.1° |
| C2 | C1 | C3 | C | 126.6° | 120.0° |
| C2 | C1 | C3 | H8 | 115.6° | 120.0° |
| C2 | C1 | C | H8 | 119.3° | 120.0° |
| C2 | C1 | C3 | C4 | 110.7° | 59.5° |
| C2 | C1 | C | H9 | 180.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 180.0° |
| C2 | C1 | C | H11 | 60.0° | 60.0° |
| C1 | C2 | O1 | H12 | 177.6° | 179.9° |
| O1 | C2 | C1 | C3 | 71.8° | 180.0° |
| O1 | C2 | C1 | C | 53.4° | 60.0° |
| O1 | C2 | C1 | H8 | 172.7° | 60.0° |
| C7 | N | C9 | H7 | 180.0° | 179.9° |
| N | C7 | C8 | C6 | 177.1° | 179.9° |
| N | C7 | C8 | C3 | 177.5° | 179.8° |
| C7 | N | C9 | C10 | 176.4° | 180.0° |
| C7 | N | C9 | C14 | 0.6° | 0.0° |
| N | C7 | C6 | C14 | 1.4° | 0.0° |
| N | C7 | C6 | C5 | 179.6° | 179.9° |
| N | C7 | C8 | H3 | 2.5° | 0.0° |
| C9 | N | C7 | C8 | 176.2° | 180.0° |
| C9 | N | C7 | C6 | 1.2° | 0.0° |
| N | C9 | C10 | C14 | 176.6° | 180.0° |
| N | C9 | C10 | C11 | 175.8° | 180.0° |
| N | C9 | C14 | C6 | 0.2° | 0.0° |
| N | C9 | C14 | C13 | 176.8° | 180.0° |
| N | C9 | C10 | H4 | 4.3° | 0.0° |
| C7 | C8 | C3 | H3 | 180.0° | 179.8° |
| C7 | C8 | C3 | C1 | 176.0° | 180.0° |
| C7 | C8 | C3 | C4 | 1.8° | 0.5° |
| C8 | C7 | C6 | C14 | 176.3° | 180.0° |
| C8 | C7 | C6 | C5 | 2.0° | 0.0° |
| C8 | C7 | N | H7 | 3.8° | 0.1° |
| C8 | C3 | C1 | C4 | 177.7° | 179.5° |
| C8 | C3 | C1 | C | 166.4° | 120.0° |
| C3 | C8 | C7 | C6 | 0.4° | 0.3° |
| C8 | C3 | C4 | C5 | 2.3° | 0.5° |
| C8 | C3 | C4 | H1 | 177.7° | 179.8° |
| C8 | C3 | C1 | H8 | 48.6° | 0.1° |
| C3 | C1 | C | H8 | 117.7° | 120.0° |
| C1 | C3 | C4 | C5 | 175.4° | 180.0° |
| C1 | C3 | C4 | H1 | 4.6° | 0.3° |
| C1 | C3 | C8 | H3 | 4.0° | 0.2° |
| C3 | C1 | C | H9 | 57.0° | 180.0° |
| C3 | C1 | C | H10 | 63.0° | 60.0° |
| C3 | C1 | C | H11 | 177.0° | 60.0° |
| C | C1 | C3 | C4 | 15.9° | 60.5° |
| C1 | C | H9 | H10 | 120.0° | 119.9° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C7 | C6 | C14 | C9 | 1.0° | 0.0° |
| C7 | C6 | C14 | C5 | 177.9° | 179.9° |
| C7 | C6 | C14 | C13 | 175.4° | 180.0° |
| C7 | C6 | C5 | C4 | 1.4° | 0.1° |
| C7 | C6 | C5 | H2 | 178.5° | 180.0° |
| C6 | C7 | C8 | H3 | 179.6° | 179.9° |
| C6 | C7 | N | H7 | 178.8° | 179.9° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C10 | C9 | C14 | C6 | 177.5° | 180.0° |
| C10 | C9 | C14 | C13 | 0.4° | 0.0° |
| C9 | C10 | C11 | H6 | 179.6° | 180.0° |
| C10 | C9 | N | H7 | 3.6° | 0.1° |
| C11 | C10 | C9 | C14 | 0.9° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C10 | C11 | C12 | CL | 178.6° | 180.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.2° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 179.3° | 179.7° |
| C4 | C3 | C8 | H3 | 178.2° | 179.7° |
| C4 | C3 | C1 | H8 | 133.7° | 179.5° |
| C9 | C14 | C6 | C13 | 176.4° | 180.0° |
| C9 | C14 | C6 | C5 | 178.9° | 179.9° |
| C9 | C14 | C13 | C12 | 0.5° | 0.0° |
| C14 | C9 | C10 | H4 | 179.1° | 180.0° |
| C9 | C14 | C13 | H5 | 179.6° | 180.0° |
| C14 | C9 | N | H7 | 179.4° | 179.9° |
| C11 | C12 | C13 | C14 | 0.9° | 0.0° |
| C11 | C12 | C13 | CL | 179.1° | 179.9° |
| C12 | C11 | C10 | H4 | 179.5° | 180.0° |
| C11 | C12 | C13 | H5 | 179.1° | 180.0° |
| C14 | C6 | C5 | C4 | 176.2° | 180.0° |
| C6 | C14 | C13 | C12 | 175.6° | 180.0° |
| C14 | C6 | C5 | H2 | 3.8° | 0.1° |
| C6 | C14 | C13 | H5 | 4.4° | 0.0° |
| C5 | C6 | C14 | C13 | 2.5° | 0.1° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.3° | 179.9° |
| C14 | C13 | C12 | H5 | 180.0° | 180.0° |
| C14 | C13 | C12 | CL | 178.2° | 180.0° |
| C13 | C12 | C11 | H6 | 179.5° | 180.0° |
| CL | C12 | C13 | H5 | 1.8° | 0.0° |
| CL | C12 | C11 | H6 | 1.4° | 0.1° |
| H1 | C4 | C5 | H2 | 0.6° | 0.0° |
| H4 | C10 | C11 | H6 | 0.4° | 0.0° |
| H8 | C1 | C | H9 | 60.7° | 60.0° |
| H8 | C1 | C | H10 | 179.3° | 60.0° |
| H8 | C1 | C | H11 | 59.3° | 180.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
