UOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C15 | sing | 1.53Å | 1.50Å | |
| O3 | C | doub | 1.21Å | 1.26Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C1 | sing | 1.53Å | 1.53Å | |
| O2 | C | sing | 1.34Å | 1.26Å | |
| C | C1 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O1 | doub | 1.22Å | 1.24Å | |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C3 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | O | sing | 1.35Å | 1.37Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| O | C7 | sing | 1.36Å | 1.41Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C8 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C15 | C14 | 108.9° | 109.5° |
| C18 | C15 | C16 | 107.6° | 109.5° |
| C18 | C15 | C17 | 107.1° | 109.5° |
| C15 | C18 | H7 | 109.5° | 109.5° |
| C15 | C18 | H8 | 109.5° | 109.5° |
| C15 | C18 | H9 | 109.5° | 109.5° |
| O3 | C | O2 | 125.2° | 120.0° |
| O3 | C | C1 | 117.8° | 120.0° |
| C15 | C14 | C1 | 119.3° | 109.5° |
| C14 | C15 | C16 | 111.7° | 109.5° |
| C14 | C15 | C17 | 112.2° | 109.5° |
| C15 | C14 | H12 | 106.9° | 109.5° |
| C15 | C14 | H13 | 106.9° | 109.5° |
| C14 | C1 | C | 109.8° | 109.5° |
| C14 | C1 | N | 110.3° | 109.4° |
| C14 | C1 | H11 | 108.4° | 109.5° |
| C1 | C14 | H12 | 107.0° | 109.4° |
| C1 | C14 | H13 | 107.0° | 109.4° |
| O2 | C | C1 | 117.0° | 120.0° |
| C | O2 | H10 | 109.5° | 117.0° |
| C | C1 | N | 110.8° | 109.4° |
| C | C1 | H11 | 108.3° | 109.5° |
| C16 | C15 | C17 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| C15 | C17 | H14 | 109.5° | 109.5° |
| C15 | C17 | H15 | 109.5° | 109.4° |
| C15 | C17 | H16 | 109.5° | 109.5° |
| C1 | N | C2 | 123.1° | 120.0° |
| N | C1 | H11 | 109.2° | 109.5° |
| C1 | N | H20 | 118.5° | 120.0° |
| N | C2 | O1 | 122.2° | 120.0° |
| N | C2 | C3 | 117.5° | 120.0° |
| C2 | N | H20 | 118.4° | 120.0° |
| O1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C3 | C13 | 126.2° | 120.5° |
| C2 | C3 | C4 | 116.4° | 120.5° |
| C13 | C3 | C4 | 117.5° | 119.0° |
| C3 | C13 | N1 | 123.4° | 120.7° |
| C3 | C13 | H6 | 118.3° | 119.7° |
| C3 | C4 | C5 | 120.8° | 118.4° |
| C3 | C4 | H21 | 119.6° | 120.8° |
| C13 | N1 | C6 | 116.7° | 121.8° |
| N1 | C13 | H6 | 118.3° | 119.7° |
| N1 | C6 | C5 | 124.5° | 120.9° |
| N1 | C6 | O | 119.1° | 119.6° |
| C4 | C5 | C6 | 117.1° | 119.3° |
| C4 | C5 | H1 | 121.4° | 120.4° |
| C5 | C4 | H21 | 119.6° | 120.9° |
| C5 | C6 | O | 116.3° | 119.5° |
| C6 | C5 | H1 | 121.5° | 120.3° |
| C6 | O | C7 | 122.1° | 118.0° |
| C9 | C8 | C7 | 119.7° | 119.9° |
| C8 | C9 | C10 | 120.3° | 120.1° |
| C8 | C9 | H2 | 119.9° | 120.0° |
| C9 | C8 | H22 | 120.2° | 120.0° |
| C8 | C7 | O | 119.8° | 120.0° |
| C8 | C7 | C12 | 120.3° | 119.9° |
| C7 | C8 | H22 | 120.1° | 120.1° |
| O | C7 | C12 | 119.9° | 120.1° |
| C9 | C10 | C11 | 120.2° | 120.1° |
| C10 | C9 | H2 | 119.8° | 120.0° |
| C9 | C10 | H3 | 119.9° | 120.0° |
| C7 | C12 | C11 | 119.2° | 119.9° |
| C7 | C12 | H5 | 120.4° | 120.0° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C11 | C10 | H3 | 119.9° | 119.9° |
| C10 | C11 | H4 | 119.8° | 120.0° |
| C12 | C11 | H4 | 119.9° | 120.0° |
| C11 | C12 | H5 | 120.4° | 120.0° |
| H7 | C18 | H8 | 109.5° | 109.4° |
| H7 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.4° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H14 | C17 | H16 | 109.5° | 109.6° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H17 | C16 | H19 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C15 | C14 | C16 | 118.7° | 120.0° |
| C18 | C15 | C14 | C17 | 118.4° | 120.0° |
| C18 | C15 | C14 | C1 | 157.5° | 53.9° |
| C18 | C15 | C16 | C17 | 115.9° | 120.0° |
| C15 | C18 | H7 | H8 | 120.0° | 120.0° |
| C15 | C18 | H7 | H9 | 120.0° | 120.1° |
| C15 | C18 | H8 | H9 | 120.0° | 120.0° |
| C18 | C15 | C14 | H12 | 36.1° | 66.1° |
| C18 | C15 | C14 | H13 | 81.0° | 173.9° |
| C18 | C15 | C17 | H14 | 180.0° | 179.9° |
| C18 | C15 | C17 | H15 | 60.0° | 60.0° |
| C18 | C15 | C17 | H16 | 60.0° | 60.0° |
| C18 | C15 | C16 | H17 | 180.0° | 69.2° |
| C18 | C15 | C16 | H18 | 60.0° | 50.8° |
| C18 | C15 | C16 | H19 | 60.0° | 170.8° |
| O3 | C | C1 | C14 | 71.8° | 120.0° |
| O3 | C | O2 | C1 | 179.1° | 179.9° |
| O3 | C | C1 | N | 166.1° | 0.1° |
| O3 | C | O2 | H10 | 0.0° | 0.0° |
| O3 | C | C1 | H11 | 46.4° | 119.9° |
| C15 | C14 | C1 | H12 | 121.4° | 120.0° |
| C15 | C14 | C1 | H13 | 121.4° | 120.1° |
| C15 | C14 | C1 | C | 161.9° | 173.8° |
| C14 | C15 | C16 | C17 | 124.7° | 120.0° |
| C15 | C14 | C1 | N | 75.7° | 66.3° |
| C14 | C15 | C18 | H7 | 180.0° | 180.0° |
| C14 | C15 | C18 | H8 | 60.0° | 60.0° |
| C14 | C15 | C18 | H9 | 60.0° | 60.0° |
| C15 | C14 | C1 | H11 | 43.8° | 53.7° |
| C15 | C14 | H12 | H13 | 115.5° | 120.0° |
| C14 | C15 | C17 | H14 | 60.5° | 59.9° |
| C14 | C15 | C17 | H15 | 179.5° | 60.0° |
| C14 | C15 | C17 | H16 | 59.5° | 180.0° |
| C14 | C15 | C16 | H17 | 60.6° | 170.8° |
| C14 | C15 | C16 | H18 | 59.5° | 69.2° |
| C14 | C15 | C16 | H19 | 179.5° | 50.8° |
| C14 | C1 | C | O2 | 109.1° | 60.1° |
| C14 | C1 | C | N | 122.1° | 119.9° |
| C14 | C1 | C | H11 | 118.2° | 120.1° |
| C1 | C14 | C15 | C16 | 83.8° | 66.1° |
| C1 | C14 | C15 | C17 | 39.1° | 173.9° |
| C14 | C1 | N | H11 | 119.0° | 120.0° |
| C14 | C1 | N | C2 | 177.0° | 154.9° |
| C1 | C14 | H12 | H13 | 115.6° | 119.9° |
| C14 | C1 | N | H20 | 3.0° | 25.0° |
| O2 | C | C1 | N | 13.0° | 180.0° |
| O2 | C | C1 | H11 | 132.7° | 60.0° |
| C | C1 | N | H11 | 119.2° | 120.0° |
| C | C1 | N | C2 | 61.2° | 85.1° |
| C1 | C | O2 | H10 | 179.1° | 179.9° |
| C | C1 | C14 | H12 | 40.5° | 53.7° |
| C | C1 | C14 | H13 | 76.7° | 66.2° |
| C | C1 | N | H20 | 118.8° | 95.0° |
| C16 | C15 | C18 | H7 | 58.8° | 60.0° |
| C16 | C15 | C18 | H8 | 61.2° | 180.0° |
| C16 | C15 | C18 | H9 | 178.8° | 60.0° |
| C16 | C15 | C14 | H12 | 154.8° | 173.9° |
| C16 | C15 | C14 | H13 | 37.7° | 53.9° |
| C16 | C15 | C17 | H14 | 63.8° | 60.1° |
| C16 | C15 | C17 | H15 | 56.2° | 180.0° |
| C16 | C15 | C17 | H16 | 176.2° | 60.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C17 | C15 | C18 | H7 | 58.4° | 60.0° |
| C17 | C15 | C18 | H8 | 178.4° | 60.0° |
| C17 | C15 | C18 | H9 | 61.6° | 180.0° |
| C17 | C15 | C14 | H12 | 82.3° | 53.9° |
| C17 | C15 | C14 | H13 | 160.5° | 66.1° |
| C15 | C17 | H14 | H15 | 120.0° | 119.9° |
| C15 | C17 | H14 | H16 | 120.0° | 120.0° |
| C15 | C17 | H15 | H16 | 120.0° | 120.0° |
| C17 | C15 | C16 | H17 | 64.1° | 50.8° |
| C17 | C15 | C16 | H18 | 175.9° | 170.8° |
| C17 | C15 | C16 | H19 | 55.9° | 69.2° |
| C1 | N | C2 | H20 | 180.0° | 179.9° |
| C1 | N | C2 | O1 | 10.7° | 0.1° |
| C1 | N | C2 | C3 | 166.9° | 179.7° |
| N | C1 | C14 | H12 | 162.9° | 173.7° |
| N | C1 | C14 | H13 | 45.7° | 53.8° |
| N | C2 | O1 | C3 | 177.5° | 179.7° |
| N | C2 | C3 | C13 | 28.0° | 0.3° |
| N | C2 | C3 | C4 | 150.8° | 180.0° |
| C2 | N | C1 | H11 | 58.0° | 34.9° |
| O1 | C2 | C3 | C13 | 154.3° | 180.0° |
| O1 | C2 | C3 | C4 | 26.8° | 0.3° |
| O1 | C2 | N | H20 | 169.3° | 180.0° |
| C2 | C3 | C13 | C4 | 178.9° | 179.7° |
| C2 | C3 | C13 | N1 | 177.5° | 180.0° |
| C2 | C3 | C4 | C5 | 178.0° | 179.8° |
| C2 | C3 | C13 | H6 | 2.5° | 0.0° |
| C3 | C2 | N | H20 | 13.1° | 0.3° |
| C2 | C3 | C4 | H21 | 2.0° | 0.0° |
| C3 | C13 | N1 | H6 | 180.0° | 180.0° |
| C3 | C13 | N1 | C6 | 0.2° | 0.0° |
| C13 | C3 | C4 | C5 | 1.0° | 0.5° |
| C13 | C3 | C4 | H21 | 179.0° | 179.7° |
| C4 | C3 | C13 | N1 | 1.3° | 0.3° |
| C3 | C4 | C5 | H21 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.3° | 0.4° |
| C3 | C4 | C5 | H1 | 179.7° | 179.8° |
| C4 | C3 | C13 | H6 | 178.7° | 179.7° |
| C13 | N1 | C6 | C5 | 1.2° | 0.1° |
| C13 | N1 | C6 | O | 176.0° | 180.0° |
| N1 | C6 | C5 | C4 | 1.5° | 0.2° |
| N1 | C6 | C5 | O | 177.4° | 179.9° |
| N1 | C6 | O | C7 | 174.6° | 5.0° |
| N1 | C6 | C5 | H1 | 178.5° | 180.0° |
| C6 | N1 | C13 | H6 | 179.8° | 180.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | O | 175.8° | 179.8° |
| C5 | C6 | O | C7 | 7.9° | 174.9° |
| C6 | C5 | C4 | H21 | 179.7° | 179.8° |
| C6 | O | C7 | C8 | 86.4° | 70.5° |
| C6 | O | C7 | C12 | 91.8° | 109.7° |
| O | C6 | C5 | H1 | 4.2° | 0.0° |
| C9 | C8 | C7 | H22 | 180.0° | 180.0° |
| C9 | C8 | C7 | O | 176.7° | 179.7° |
| C8 | C9 | C10 | H2 | 180.0° | 179.8° |
| C9 | C8 | C7 | C12 | 1.4° | 0.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.2° |
| C8 | C9 | C10 | H3 | 179.4° | 179.8° |
| C8 | C7 | O | C12 | 178.1° | 179.8° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C8 | C7 | C12 | C11 | 1.4° | 0.2° |
| C7 | C8 | C9 | H2 | 179.6° | 179.7° |
| C8 | C7 | C12 | H5 | 178.6° | 179.7° |
| O | C7 | C12 | C11 | 176.7° | 180.0° |
| O | C7 | C12 | H5 | 3.3° | 0.1° |
| O | C7 | C8 | H22 | 3.2° | 0.3° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.5° |
| C9 | C10 | C11 | H4 | 179.4° | 180.0° |
| C10 | C9 | C8 | H22 | 179.6° | 180.0° |
| C7 | C12 | C11 | C10 | 0.4° | 0.5° |
| C7 | C12 | C11 | H5 | 180.0° | 179.9° |
| C7 | C12 | C11 | H4 | 179.6° | 180.0° |
| C12 | C7 | C8 | H22 | 178.6° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.5° |
| C11 | C10 | C9 | H2 | 179.4° | 180.0° |
| C10 | C11 | C12 | H5 | 179.6° | 179.5° |
| C12 | C11 | C10 | H3 | 179.4° | 179.6° |
| H1 | C5 | C4 | H21 | 0.3° | 0.0° |
| H2 | C9 | C10 | H3 | 0.6° | 0.0° |
| H2 | C9 | C8 | H22 | 0.4° | 0.3° |
| H3 | C10 | C11 | H4 | 0.6° | 0.0° |
| H4 | C11 | C12 | H5 | 0.4° | 0.1° |
| H7 | C18 | H8 | H9 | 120.0° | 120.0° |
| H11 | C1 | C14 | H12 | 77.6° | 66.3° |
| H11 | C1 | C14 | H13 | 165.2° | 173.8° |
| H11 | C1 | N | H20 | 122.0° | 145.0° |
| H14 | C17 | H15 | H16 | 120.0° | 120.1° |
| H17 | C16 | H18 | H19 | 120.0° | 120.0° |
