UCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C25 | doub | 1.32Å | 1.32Å | Aromatic |
| N24 | C23 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | N18 | sing | 1.39Å | 1.45Å | |
| N18 | C19 | sing | 1.47Å | 1.49Å | |
| N18 | C17 | sing | 1.47Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C15 | sing | 1.53Å | 1.48Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.48Å | |
| C15 | C01 | sing | 1.51Å | 1.53Å | |
| O14 | C01 | doub | 1.21Å | 1.18Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C01 | OXT | sing | 1.34Å | 1.45Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N24 | C23 | 122.3° | 121.9° |
| N24 | C25 | C26 | 120.1° | 120.8° |
| N24 | C25 | H14 | 119.9° | 119.6° |
| N24 | C23 | C22 | 121.0° | 120.8° |
| N24 | C23 | H13 | 119.5° | 119.6° |
| C25 | C26 | C21 | 119.2° | 119.1° |
| C25 | C26 | H7 | 120.4° | 120.5° |
| C26 | C25 | H14 | 120.0° | 119.6° |
| C23 | C22 | C21 | 118.3° | 119.1° |
| C23 | C22 | H6 | 120.8° | 120.5° |
| C22 | C23 | H13 | 119.5° | 119.6° |
| C26 | C21 | C22 | 119.1° | 118.3° |
| C26 | C21 | N18 | 119.9° | 120.9° |
| C21 | C26 | H7 | 120.4° | 120.4° |
| C22 | C21 | N18 | 121.0° | 120.9° |
| C21 | C22 | H6 | 120.8° | 120.4° |
| C21 | N18 | C19 | 110.6° | 111.0° |
| C21 | N18 | C17 | 112.4° | 111.0° |
| C19 | N18 | C17 | 118.9° | 111.2° |
| N18 | C19 | C20 | 116.0° | 109.5° |
| N18 | C19 | H11 | 107.8° | 109.4° |
| N18 | C19 | H12 | 107.8° | 109.4° |
| N18 | C17 | C16 | 115.5° | 109.5° |
| N18 | C17 | H2 | 107.9° | 109.4° |
| N18 | C17 | H3 | 108.0° | 109.5° |
| C19 | C20 | C15 | 110.1° | 109.2° |
| C19 | C20 | H4 | 109.3° | 109.5° |
| C19 | C20 | H5 | 109.3° | 109.5° |
| C20 | C19 | H11 | 107.8° | 109.4° |
| C20 | C19 | H12 | 107.8° | 109.5° |
| C20 | C15 | C16 | 108.7° | 109.2° |
| C20 | C15 | C01 | 110.3° | 109.6° |
| C20 | C15 | H1 | 109.1° | 109.5° |
| C15 | C20 | H4 | 109.3° | 109.5° |
| C15 | C20 | H5 | 109.3° | 109.5° |
| C17 | C16 | C15 | 109.8° | 109.2° |
| C16 | C17 | H2 | 108.0° | 109.5° |
| C16 | C17 | H3 | 107.9° | 109.5° |
| C17 | C16 | H9 | 109.4° | 109.4° |
| C17 | C16 | H10 | 109.4° | 109.5° |
| C16 | C15 | C01 | 111.1° | 109.6° |
| C16 | C15 | H1 | 109.1° | 109.5° |
| C15 | C16 | H9 | 109.4° | 109.5° |
| C15 | C16 | H10 | 109.4° | 109.6° |
| C15 | C01 | O14 | 120.5° | 120.0° |
| C01 | C15 | H1 | 108.5° | 109.5° |
| C15 | C01 | OXT | 118.9° | 120.0° |
| O14 | C01 | OXT | 120.5° | 120.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| C01 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C25 | N24 | C23 | C22 | 0.1° | 0.3° |
| N24 | C25 | C26 | C21 | 0.1° | 0.0° |
| N24 | C25 | C26 | H7 | 180.0° | 180.0° |
| C25 | N24 | C23 | H13 | 179.9° | 179.7° |
| C23 | N24 | C25 | C26 | 0.2° | 0.3° |
| N24 | C23 | C22 | H13 | 180.0° | 180.0° |
| N24 | C23 | C22 | C21 | 0.1° | 0.0° |
| N24 | C23 | C22 | H6 | 179.8° | 180.0° |
| C23 | N24 | C25 | H14 | 179.8° | 179.7° |
| C25 | C26 | C21 | H7 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.3° | 0.3° |
| C25 | C26 | C21 | N18 | 179.8° | 180.0° |
| C23 | C22 | C21 | C26 | 0.4° | 0.3° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | N18 | 179.8° | 180.0° |
| C26 | C21 | C22 | N18 | 179.5° | 179.7° |
| C26 | C21 | N18 | C19 | 49.6° | 0.3° |
| C26 | C21 | N18 | C17 | 175.1° | 124.6° |
| C26 | C21 | C22 | H6 | 179.6° | 179.8° |
| C21 | C26 | C25 | H14 | 179.9° | 180.0° |
| C22 | C21 | N18 | C19 | 131.0° | 180.0° |
| C22 | C21 | N18 | C17 | 4.4° | 55.7° |
| C22 | C21 | C26 | H7 | 179.7° | 179.7° |
| C21 | C22 | C23 | H13 | 179.9° | 180.0° |
| C21 | N18 | C19 | C17 | 132.1° | 124.1° |
| C21 | N18 | C19 | C20 | 111.4° | 174.1° |
| C21 | N18 | C17 | C16 | 109.7° | 174.2° |
| C21 | N18 | C17 | H2 | 129.4° | 65.8° |
| C21 | N18 | C17 | H3 | 11.2° | 54.1° |
| N18 | C21 | C22 | H6 | 0.2° | 0.1° |
| N18 | C21 | C26 | H7 | 0.2° | 0.0° |
| C21 | N18 | C19 | H11 | 9.6° | 54.2° |
| C21 | N18 | C19 | H12 | 127.7° | 65.8° |
| N18 | C19 | C20 | H11 | 121.0° | 120.0° |
| N18 | C19 | C20 | H12 | 121.0° | 120.0° |
| N18 | C19 | C20 | C15 | 41.9° | 59.2° |
| C19 | N18 | C17 | C16 | 21.6° | 61.7° |
| C19 | N18 | C17 | H2 | 99.2° | 58.3° |
| C19 | N18 | C17 | H3 | 142.5° | 178.3° |
| N18 | C19 | C20 | H4 | 78.2° | 60.7° |
| N18 | C19 | C20 | H5 | 162.0° | 179.1° |
| N18 | C19 | H11 | H12 | 117.0° | 119.9° |
| C17 | N18 | C19 | C20 | 20.8° | 61.7° |
| N18 | C17 | C16 | H2 | 120.9° | 119.9° |
| N18 | C17 | C16 | H3 | 120.9° | 120.1° |
| N18 | C17 | C16 | C15 | 43.7° | 59.1° |
| N18 | C17 | H2 | H3 | 117.3° | 120.0° |
| N18 | C17 | C16 | H9 | 163.8° | 179.1° |
| N18 | C17 | C16 | H10 | 76.3° | 60.9° |
| C17 | N18 | C19 | H11 | 141.7° | 178.3° |
| C17 | N18 | C19 | H12 | 100.2° | 58.3° |
| C19 | C20 | C15 | H4 | 120.1° | 119.9° |
| C19 | C20 | C15 | H5 | 120.1° | 119.9° |
| C19 | C20 | C15 | C16 | 65.4° | 57.8° |
| C19 | C20 | C15 | C01 | 172.6° | 62.3° |
| C19 | C20 | C15 | H1 | 53.5° | 177.6° |
| C19 | C20 | H4 | H5 | 119.7° | 120.1° |
| C20 | C19 | H11 | H12 | 117.0° | 120.0° |
| C20 | C15 | C16 | C17 | 66.4° | 57.8° |
| C20 | C15 | C16 | C01 | 121.5° | 120.0° |
| C20 | C15 | C16 | H1 | 118.9° | 119.9° |
| C20 | C15 | C01 | H1 | 119.5° | 120.1° |
| C20 | C15 | C01 | O14 | 92.6° | 0.1° |
| C15 | C20 | H4 | H5 | 119.7° | 120.1° |
| C20 | C15 | C16 | H9 | 173.5° | 177.6° |
| C20 | C15 | C16 | H10 | 53.7° | 62.2° |
| C15 | C20 | C19 | H11 | 162.9° | 179.2° |
| C15 | C20 | C19 | H12 | 79.1° | 60.8° |
| C20 | C15 | C01 | OXT | 87.1° | 179.9° |
| C17 | C16 | C15 | H9 | 120.1° | 119.9° |
| C17 | C16 | C15 | H10 | 120.1° | 120.0° |
| C17 | C16 | C15 | C01 | 172.1° | 62.2° |
| C17 | C16 | C15 | H1 | 52.5° | 177.6° |
| C16 | C17 | H2 | H3 | 117.2° | 120.0° |
| C17 | C16 | H9 | H10 | 119.9° | 120.0° |
| C16 | C15 | C01 | H1 | 120.0° | 120.1° |
| C16 | C15 | C01 | O14 | 27.9° | 119.9° |
| C15 | C16 | C17 | H2 | 77.1° | 60.8° |
| C15 | C16 | C17 | H3 | 164.6° | 179.2° |
| C16 | C15 | C20 | H4 | 54.7° | 62.2° |
| C16 | C15 | C20 | H5 | 174.5° | 177.7° |
| C15 | C16 | H9 | H10 | 119.8° | 120.2° |
| C16 | C15 | C01 | OXT | 152.3° | 60.1° |
| C15 | C01 | O14 | OXT | 179.7° | 180.0° |
| C01 | C15 | C20 | H4 | 67.3° | 177.8° |
| C01 | C15 | C20 | H5 | 52.5° | 57.7° |
| C01 | C15 | C16 | H9 | 52.1° | 57.6° |
| C01 | C15 | C16 | H10 | 67.8° | 177.8° |
| C15 | C01 | OXT | HXT | 179.8° | 180.0° |
| O14 | C01 | C15 | H1 | 147.9° | 120.0° |
| O14 | C01 | OXT | HXT | 0.0° | 0.0° |
| H1 | C15 | C20 | H4 | 173.6° | 57.7° |
| H1 | C15 | C20 | H5 | 66.6° | 62.4° |
| H1 | C15 | C16 | H9 | 67.6° | 62.5° |
| H1 | C15 | C16 | H10 | 172.6° | 57.7° |
| H1 | C15 | C01 | OXT | 32.4° | 60.0° |
| H2 | C17 | C16 | H9 | 42.9° | 59.1° |
| H2 | C17 | C16 | H10 | 162.8° | 179.2° |
| H3 | C17 | C16 | H9 | 75.3° | 60.9° |
| H3 | C17 | C16 | H10 | 44.6° | 59.2° |
| H4 | C20 | C19 | H11 | 42.8° | 59.3° |
| H4 | C20 | C19 | H12 | 160.8° | 179.3° |
| H5 | C20 | C19 | H11 | 77.0° | 60.9° |
| H5 | C20 | C19 | H12 | 41.0° | 59.1° |
| H6 | C22 | C23 | H13 | 0.2° | 0.1° |
| H7 | C26 | C25 | H14 | 0.1° | 0.0° |
